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 2e2j_1_A DATA FIRST_RESID 3 DATA SEQUENCE GQQYSSAPLR TVKEVQFGLF SPEEVRAISV AKIRFPETMD ETQTRAKIGG DATA SEQUENCE LNDPRLGSID RNLKCQTCQE GMNECPGHFG HIDLAKPVFH VGFIAKIKKV DATA SEQUENCE CECVCMHCGK LLLDEHNELM RQALAIKDSK KRFAAIWTLC KTKMVCETDV DATA SEQUENCE PSXXXXXXLV SRGGCGNTQP TIRKDGLKLV GSWKXXXXXX XXXXXXLRVL DATA SEQUENCE STEEILNIFK HISVKDFTSL GFNEVFSRPE WMILTCLPVP PPPVRPSISF DATA SEQUENCE NESQRGEDDL TFKLADILKA NISLETLEHN GAPHHAIEEA ESLLQFHVAT DATA SEQUENCE YMDNDIAGQP QALQKSGRPV KSIRARLKGK EGRIRGNLMG KRVDFSARTV DATA SEQUENCE ISGDPNLELD QVGVPKSIAK TLTYPEVVTP YNIDRLTQLV RNGPNEHPGA DATA SEQUENCE KYVIRDSGDR IDLRYSKRAG DIQLQYGWKV ERHIMDNDPV LFNRQPSLHK DATA SEQUENCE MSMMAHRVKV IPYSTFRLNL SVTSPYNADF DGDEMNLHVP QSEETRAELS DATA SEQUENCE QLCAVPLQIV SPQSNKPCMG IVQDTLCGIR KLTLRDTFIE LDQVLNMLYW DATA SEQUENCE VPDWDGVIPT PAIIKPKPLW SGKQILSVAI PNGIHLQRFD EGTTLLSPKD DATA SEQUENCE NGMLIIDGQI IFGVVEKKTV GSSNGGLIHV VTREKGPQVC AKLFGNIQKV DATA SEQUENCE VNFWLLHNGF STGIGDTIAD GPTMREITET IAEAKKKVLD VTKEAQANLL DATA SEQUENCE TAKHGMTLRE SFEDNVVRFL NEARDKAGRL AEVNLKDLNN VKQMVMAGSK DATA SEQUENCE GSFINIAQMS ACVGQQSVEG KRIAFGFVDR TLPHFSKDDY SPESKGFVEN DATA SEQUENCE SYLRGLTPQE FFFHAMGGRE GLIDTAVKTA ETGYIQRRLV KALEDIMVHY DATA SEQUENCE DNTTRNSLGN VIQFIYGEDG MDAAHIEKQS LDTIGGSDAA FEKRYRVDLL DATA SEQUENCE NTDHTLDPSL LESGSEILGD LKLQVLLDEE YKQLVKDRKF LREVFVDGEA DATA SEQUENCE NWPLPVNIRR IIQNAQQTFH IDHTKPSDLT IKDIVLGVKD LQENLLVLRG DATA SEQUENCE KNEIIQNAQR DAVTLFCCLL RSRLATRRVL QEYRLTKQAF DWVLSNIEAQ DATA SEQUENCE FLRSVVHPGE MVGVLAAQSI GEPATQMTLX XXXXXXXXXK KVTSGVPRLK DATA SEQUENCE EILNVAKNMK TPSLTVYLEP GHAADQEQAK LIRSAIEHTT LKSVTIASEI DATA SEQUENCE YYDPDPRSTV IPEDEEIIQL HFSLXXXXXX XXXXQQSPWL LRLELDRAAM DATA SEQUENCE NDKDLTMGQV GERIKQTFKN DLFVIWSEDN DEKLIIRCRV VXXXXXXXXX DATA SEQUENCE XAEEDHMLKK IENTMLENIT LRGVENIERV VMMKYDRKVP SPTGEYVKEP DATA SEQUENCE EWVLETDGVN LSEVMTVPGI DPTRIYTNSF IDIMEVLGIE AGRAALYKEV DATA SEQUENCE YNVIASDGSY VNYRHMALLV DVMTTQGGLT SVTRHGFNRS NTGALMRCSF DATA SEQUENCE EETVEILFEA GASAELDDCR GVSENVILGQ MAPIGTGAFD VMI 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.962 3.960 0.002 0.000 0.244 3 G C 0.000 174.885 174.900 -0.026 0.000 0.946 3 G CA 0.000 45.080 45.100 -0.033 0.000 0.502 4 Q N -0.697 119.088 119.800 -0.025 0.000 2.784 4 Q HA 0.660 5.001 4.340 0.002 0.000 0.207 4 Q C -0.340 175.658 176.000 -0.002 0.000 1.021 4 Q CA -0.199 55.596 55.803 -0.013 0.000 0.417 4 Q CB 0.967 29.699 28.738 -0.011 0.000 4.567 4 Q HN 0.225 nan 8.270 nan 0.000 0.306 5 Q N -0.930 118.872 119.800 0.003 0.000 2.534 5 Q HA 0.337 4.679 4.340 0.002 0.000 0.290 5 Q C -1.720 174.309 176.000 0.047 0.000 0.991 5 Q CA -0.635 55.192 55.803 0.040 0.000 0.783 5 Q CB 1.795 30.569 28.738 0.061 0.000 1.470 5 Q HN 0.281 nan 8.270 nan 0.000 0.406 6 Y N 0.704 121.006 120.300 0.003 0.000 2.702 6 Y HA 0.102 4.654 4.550 0.002 0.000 0.336 6 Y C 0.249 176.154 175.900 0.007 0.000 1.235 6 Y CA 1.332 59.435 58.100 0.006 0.000 1.492 6 Y CB 0.887 39.351 38.460 0.006 0.000 1.308 6 Y HN 0.334 nan 8.280 nan 0.000 0.589 7 S N 1.374 117.188 115.700 0.190 0.000 2.736 7 S HA 0.219 4.691 4.470 0.002 0.000 0.285 7 S C 0.239 174.919 174.600 0.133 0.000 1.163 7 S CA -0.384 57.892 58.200 0.126 0.000 1.025 7 S CB 0.594 63.830 63.200 0.061 0.000 1.030 7 S HN 0.717 nan 8.310 nan 0.000 0.486 8 S N 3.056 118.824 115.700 0.114 0.000 2.555 8 S HA 0.222 4.693 4.470 0.002 0.000 0.230 8 S C 0.869 175.507 174.600 0.063 0.000 0.978 8 S CA 0.216 58.471 58.200 0.092 0.000 0.934 8 S CB -0.249 62.987 63.200 0.060 0.000 0.766 8 S HN 0.977 nan 8.310 nan 0.000 0.533 9 A N 3.091 125.943 122.820 0.054 0.000 2.366 9 A HA 0.625 4.946 4.320 0.002 0.000 0.272 9 A C -2.203 175.401 177.584 0.035 0.000 1.135 9 A CA -1.521 50.539 52.037 0.039 0.000 0.804 9 A CB -0.186 18.834 19.000 0.034 0.000 1.064 9 A HN 0.261 nan 8.150 nan 0.000 0.499 10 P HA 0.354 nan 4.420 nan 0.000 0.274 10 P C -0.629 176.679 177.300 0.013 0.000 1.237 10 P CA -0.531 62.582 63.100 0.022 0.000 0.793 10 P CB 0.491 32.204 31.700 0.021 0.000 0.977 11 L N 2.814 124.041 121.223 0.006 0.000 2.305 11 L HA 0.492 4.834 4.340 0.002 0.000 0.281 11 L C -0.141 176.729 176.870 -0.000 0.000 1.085 11 L CA 0.260 55.099 54.840 -0.001 0.000 0.813 11 L CB 0.167 42.220 42.059 -0.010 0.000 1.157 11 L HN 0.284 nan 8.230 nan 0.000 0.436 12 R N 1.811 122.310 120.500 -0.002 0.000 2.740 12 R HA 0.640 4.981 4.340 0.002 0.000 0.273 12 R C -0.787 175.508 176.300 -0.007 0.000 0.998 12 R CA -0.566 55.532 56.100 -0.003 0.000 0.900 12 R CB 2.048 32.347 30.300 -0.001 0.000 1.223 12 R HN 0.720 nan 8.270 nan 0.000 0.466 13 T N 0.158 114.706 114.554 -0.009 0.000 2.882 13 T HA 0.301 4.652 4.350 0.002 0.000 0.287 13 T C 0.223 174.913 174.700 -0.017 0.000 1.014 13 T CA -0.751 61.341 62.100 -0.014 0.000 1.049 13 T CB 0.997 69.857 68.868 -0.014 0.000 1.001 13 T HN 0.110 nan 8.240 nan 0.000 0.525 14 V N 2.372 122.273 119.914 -0.022 0.000 2.881 14 V HA 0.240 4.362 4.120 0.002 0.000 0.303 14 V C 0.936 177.011 176.094 -0.032 0.000 1.070 14 V CA -0.068 62.214 62.300 -0.032 0.000 1.074 14 V CB 1.274 33.073 31.823 -0.039 0.000 1.012 14 V HN 0.834 nan 8.190 nan 0.000 0.482 15 K N 1.282 121.658 120.400 -0.040 0.000 2.556 15 K HA 0.358 4.679 4.320 0.002 0.000 0.201 15 K C 0.129 176.700 176.600 -0.048 0.000 1.423 15 K CA 0.175 56.441 56.287 -0.035 0.000 1.010 15 K CB 0.984 33.469 32.500 -0.024 0.000 1.409 15 K HN 0.684 nan 8.250 nan 0.000 0.538 16 E N 0.828 120.986 120.200 -0.070 0.000 2.293 16 E HA 0.421 4.773 4.350 0.002 0.000 0.270 16 E C -1.428 175.075 176.600 -0.161 0.000 0.879 16 E CA -0.642 55.697 56.400 -0.100 0.000 0.756 16 E CB 3.099 32.745 29.700 -0.090 0.000 1.208 16 E HN -0.266 nan 8.360 nan 0.000 0.428 17 V N 3.210 122.987 119.914 -0.227 0.000 2.407 17 V HA 0.222 4.344 4.120 0.002 0.000 0.291 17 V C -0.604 175.178 176.094 -0.520 0.000 1.018 17 V CA -0.735 61.329 62.300 -0.392 0.000 0.842 17 V CB 1.651 33.203 31.823 -0.453 0.000 0.996 17 V HN 0.563 nan 8.190 nan 0.000 0.426 18 Q N 4.475 123.950 119.800 -0.542 0.000 2.506 18 Q HA 0.439 4.781 4.340 0.002 0.000 0.242 18 Q C -0.928 174.749 176.000 -0.537 0.000 1.060 18 Q CA -0.366 55.112 55.803 -0.541 0.000 0.826 18 Q CB 0.916 29.295 28.738 -0.598 0.000 1.169 18 Q HN 0.630 nan 8.270 nan 0.000 0.521 19 F N 0.799 120.609 119.950 -0.233 0.000 2.495 19 F HA 0.439 4.967 4.527 0.002 0.000 0.365 19 F C 1.388 177.080 175.800 -0.180 0.000 1.090 19 F CA 0.441 58.338 58.000 -0.172 0.000 1.235 19 F CB 1.062 39.999 39.000 -0.105 0.000 1.119 19 F HN 0.497 nan 8.300 nan 0.000 0.562 20 G N 3.021 111.863 108.800 0.069 0.000 3.107 20 G HA2 0.763 4.725 3.960 0.002 0.000 0.233 20 G HA3 0.763 4.725 3.960 0.002 0.000 0.233 20 G C -1.637 173.303 174.900 0.066 0.000 1.168 20 G CA -0.745 44.383 45.100 0.046 0.000 0.801 20 G HN 0.465 nan 8.290 nan 0.000 0.605 21 L N -0.677 120.568 121.223 0.036 0.000 2.465 21 L HA 0.500 4.842 4.340 0.002 0.000 0.257 21 L C -1.448 175.316 176.870 -0.176 0.000 0.988 21 L CA -0.694 54.179 54.840 0.055 0.000 0.827 21 L CB 3.077 45.289 42.059 0.255 0.000 1.397 21 L HN 0.446 nan 8.230 nan 0.000 0.410 22 F N 1.121 121.025 119.950 -0.076 0.000 2.404 22 F HA 0.219 4.747 4.527 0.002 0.000 0.358 22 F C 0.748 176.239 175.800 -0.515 0.000 1.120 22 F CA -0.336 57.521 58.000 -0.238 0.000 1.144 22 F CB 1.482 40.419 39.000 -0.105 0.000 1.133 22 F HN 0.373 nan 8.300 nan 0.000 0.495 23 S N 5.489 120.761 115.700 -0.714 0.000 2.499 23 S HA 0.219 4.690 4.470 0.002 0.000 0.275 23 S C -1.721 172.680 174.600 -0.331 0.000 1.257 23 S CA -1.347 56.200 58.200 -1.089 0.000 1.050 23 S CB 1.237 63.671 63.200 -1.277 0.000 0.937 23 S HN 0.388 nan 8.310 nan 0.000 0.490 24 P HA -0.220 nan 4.420 nan 0.000 0.218 24 P C 1.029 178.304 177.300 -0.042 0.000 1.152 24 P CA 1.524 64.609 63.100 -0.026 0.000 0.857 24 P CB 0.057 31.793 31.700 0.060 0.000 0.787 25 E N -0.243 119.930 120.200 -0.044 0.000 2.118 25 E HA -0.190 4.162 4.350 0.002 0.000 0.195 25 E C 2.197 178.761 176.600 -0.060 0.000 0.992 25 E CA 0.982 57.363 56.400 -0.033 0.000 0.804 25 E CB -0.268 29.433 29.700 0.002 0.000 0.741 25 E HN 0.438 nan 8.360 nan 0.000 0.458 26 E N 0.251 120.402 120.200 -0.082 0.000 2.008 26 E HA -0.147 4.204 4.350 0.002 0.000 0.191 26 E C 2.297 178.876 176.600 -0.035 0.000 0.986 26 E CA 1.059 57.435 56.400 -0.040 0.000 0.807 26 E CB 0.000 29.692 29.700 -0.013 0.000 0.766 26 E HN 0.022 nan 8.360 nan 0.000 0.450 27 V N 2.127 122.022 119.914 -0.032 0.000 2.265 27 V HA -0.374 3.748 4.120 0.002 0.000 0.259 27 V C 2.407 178.394 176.094 -0.178 0.000 1.084 27 V CA 2.714 64.930 62.300 -0.140 0.000 1.076 27 V CB -0.971 30.761 31.823 -0.151 0.000 0.680 27 V HN 0.400 nan 8.190 nan 0.000 0.452 28 R N 0.648 121.010 120.500 -0.230 0.000 2.297 28 R HA 0.353 4.695 4.340 0.002 0.000 0.197 28 R C 1.737 177.822 176.300 -0.357 0.000 0.943 28 R CA 0.971 56.755 56.100 -0.528 0.000 1.038 28 R CB -0.175 29.860 30.300 -0.441 0.000 0.957 28 R HN 0.431 nan 8.270 nan 0.000 0.484 29 A N 0.801 123.514 122.820 -0.178 0.000 2.197 29 A HA 0.223 4.544 4.320 0.002 0.000 0.210 29 A C 1.772 179.318 177.584 -0.064 0.000 1.180 29 A CA -0.131 51.844 52.037 -0.104 0.000 0.846 29 A CB 0.007 18.970 19.000 -0.062 0.000 0.884 29 A HN 0.333 nan 8.150 nan 0.000 0.487 30 I N 0.047 120.585 120.570 -0.054 0.000 3.226 30 I HA -0.002 4.169 4.170 0.002 0.000 0.277 30 I C 1.328 177.467 176.117 0.036 0.000 1.243 30 I CA 0.833 62.138 61.300 0.009 0.000 1.459 30 I CB 0.182 38.210 38.000 0.047 0.000 1.093 30 I HN 0.429 nan 8.210 nan 0.000 0.453 31 S N -0.843 114.862 115.700 0.008 0.000 2.748 31 S HA 0.399 4.870 4.470 0.002 0.000 0.299 31 S C 0.388 175.034 174.600 0.076 0.000 1.119 31 S CA 0.024 58.278 58.200 0.089 0.000 0.997 31 S CB 1.738 65.033 63.200 0.158 0.000 1.223 31 S HN 0.024 nan 8.310 nan 0.000 0.541 32 V N -2.279 117.708 119.914 0.122 0.000 3.337 32 V HA 0.674 4.795 4.120 0.002 0.000 0.307 32 V C 0.469 176.634 176.094 0.119 0.000 1.505 32 V CA -0.077 62.277 62.300 0.089 0.000 1.072 32 V CB -0.605 31.245 31.823 0.046 0.000 0.929 32 V HN 0.976 nan 8.190 nan 0.000 0.455 33 A N 0.524 123.462 122.820 0.197 0.000 2.294 33 A HA 0.818 5.139 4.320 0.002 0.000 0.330 33 A C 0.703 178.347 177.584 0.100 0.000 1.133 33 A CA -0.324 51.795 52.037 0.136 0.000 0.836 33 A CB 1.815 20.875 19.000 0.099 0.000 1.190 33 A HN 0.289 nan 8.150 nan 0.000 0.492 34 K N 0.059 120.454 120.400 -0.009 0.000 2.309 34 K HA 0.338 4.659 4.320 0.002 0.000 0.210 34 K C -0.529 175.974 176.600 -0.162 0.000 1.114 34 K CA 0.237 56.484 56.287 -0.066 0.000 0.912 34 K CB 0.209 32.716 32.500 0.011 0.000 1.198 34 K HN 0.540 nan 8.250 nan 0.000 0.471 35 I N 2.381 122.904 120.570 -0.078 0.000 6.251 35 I HA -0.277 3.895 4.170 0.002 0.000 0.126 35 I C 0.464 176.527 176.117 -0.089 0.000 1.823 35 I CA 0.526 61.780 61.300 -0.077 0.000 2.038 35 I CB -1.869 36.052 38.000 -0.133 0.000 3.460 35 I HN 0.362 nan 8.210 nan 0.000 0.169 36 R N 0.522 120.993 120.500 -0.049 0.000 2.090 36 R HA 0.168 4.510 4.340 0.002 0.000 0.219 36 R C 0.397 176.482 176.300 -0.358 0.000 1.100 36 R CA 1.175 57.133 56.100 -0.237 0.000 0.991 36 R CB 0.252 30.353 30.300 -0.332 0.000 0.893 36 R HN 0.224 nan 8.270 nan 0.000 0.443 37 F N 1.080 120.998 119.950 -0.053 0.000 2.443 37 F HA 0.282 4.810 4.527 0.003 0.000 0.335 37 F C -1.411 174.356 175.800 -0.056 0.000 1.104 37 F CA -2.775 55.196 58.000 -0.049 0.000 1.013 37 F CB 1.467 40.441 39.000 -0.042 0.000 1.136 37 F HN -0.139 nan 8.300 nan 0.000 0.470 38 P HA -0.018 nan 4.420 nan 0.000 0.245 38 P C -0.234 177.079 177.300 0.022 0.000 1.206 38 P CA 0.517 63.629 63.100 0.020 0.000 0.781 38 P CB 0.287 31.974 31.700 -0.021 0.000 0.994 39 E N -0.184 120.057 120.200 0.069 0.000 2.373 39 E HA 0.090 4.441 4.350 0.002 0.000 0.267 39 E C 0.762 177.364 176.600 0.005 0.000 1.032 39 E CA 0.111 56.522 56.400 0.018 0.000 0.889 39 E CB 0.840 30.547 29.700 0.011 0.000 0.984 39 E HN 0.072 nan 8.360 nan 0.000 0.425 40 T N 2.531 117.075 114.554 -0.018 0.000 2.754 40 T HA -0.082 4.269 4.350 0.002 0.000 0.238 40 T C 1.397 176.083 174.700 -0.023 0.000 1.091 40 T CA 0.800 62.892 62.100 -0.013 0.000 1.358 40 T CB -0.073 68.791 68.868 -0.007 0.000 1.006 40 T HN 0.298 nan 8.240 nan 0.000 0.411 41 M N 0.479 120.061 119.600 -0.030 0.000 2.731 41 M HA 0.291 4.772 4.480 0.002 0.000 0.231 41 M C -0.046 176.221 176.300 -0.056 0.000 1.295 41 M CA 0.420 55.696 55.300 -0.039 0.000 1.283 41 M CB -0.032 32.550 32.600 -0.031 0.000 1.146 41 M HN -0.010 nan 8.290 nan 0.000 0.523 42 D N 3.177 123.547 120.400 -0.050 0.000 2.533 42 D HA 0.015 4.656 4.640 0.002 0.000 0.236 42 D C -0.338 175.917 176.300 -0.075 0.000 1.137 42 D CA 0.486 54.453 54.000 -0.056 0.000 0.867 42 D CB 0.278 41.051 40.800 -0.045 0.000 1.170 42 D HN 0.385 nan 8.370 nan 0.000 0.474 43 E N -0.466 119.685 120.200 -0.082 0.000 2.183 43 E HA 0.316 4.667 4.350 0.002 0.000 0.250 43 E C -0.420 176.138 176.600 -0.071 0.000 0.901 43 E CA -0.953 55.389 56.400 -0.098 0.000 0.741 43 E CB 0.339 29.959 29.700 -0.133 0.000 1.182 43 E HN 0.298 nan 8.360 nan 0.000 0.425 44 T N 1.227 115.746 114.554 -0.058 0.000 3.626 44 T HA -0.364 3.987 4.350 0.002 0.000 0.393 44 T C 0.590 175.268 174.700 -0.038 0.000 0.765 44 T CA 1.378 63.453 62.100 -0.042 0.000 2.006 44 T CB -2.083 66.763 68.868 -0.037 0.000 1.739 44 T HN 0.930 nan 8.240 nan 0.000 0.720 45 Q N -2.290 117.488 119.800 -0.038 0.000 2.404 45 Q HA -0.182 4.159 4.340 0.002 0.000 0.151 45 Q C 0.234 176.213 176.000 -0.035 0.000 0.589 45 Q CA 1.774 57.557 55.803 -0.033 0.000 1.298 45 Q CB -2.139 26.583 28.738 -0.027 0.000 1.175 45 Q HN 0.927 nan 8.270 nan 0.000 1.025 46 T N 1.779 116.309 114.554 -0.040 0.000 2.751 46 T HA 0.106 4.457 4.350 0.002 0.000 0.279 46 T C 0.318 174.993 174.700 -0.041 0.000 0.941 46 T CA 0.272 62.348 62.100 -0.040 0.000 1.192 46 T CB 0.161 69.002 68.868 -0.046 0.000 0.883 46 T HN 0.134 nan 8.240 nan 0.000 0.534 47 R N 2.547 123.026 120.500 -0.034 0.000 4.496 47 R HA 0.360 4.702 4.340 0.002 0.000 0.211 47 R C 1.044 177.326 176.300 -0.031 0.000 1.738 47 R CA -0.436 55.645 56.100 -0.032 0.000 1.528 47 R CB -0.172 30.111 30.300 -0.028 0.000 1.414 47 R HN 0.733 nan 8.270 nan 0.000 0.812 48 A N 0.924 123.723 122.820 -0.035 0.000 3.909 48 A HA 0.238 4.560 4.320 0.002 0.000 0.180 48 A C 0.920 178.485 177.584 -0.032 0.000 1.812 48 A CA 0.352 52.369 52.037 -0.032 0.000 1.557 48 A CB 0.436 19.414 19.000 -0.036 0.000 1.216 48 A HN 0.342 nan 8.150 nan 0.000 0.386 49 K N -1.789 118.589 120.400 -0.036 0.000 2.868 49 K HA 0.322 4.644 4.320 0.002 0.000 0.197 49 K C -0.407 176.167 176.600 -0.043 0.000 1.543 49 K CA 0.552 56.820 56.287 -0.032 0.000 1.212 49 K CB 0.365 32.853 32.500 -0.021 0.000 1.840 49 K HN 1.199 nan 8.250 nan 0.000 0.571 50 I N -1.054 119.485 120.570 -0.052 0.000 8.633 50 I HA -0.206 3.966 4.170 0.002 0.000 0.126 50 I C 0.274 176.362 176.117 -0.047 0.000 1.860 50 I CA 0.385 61.639 61.300 -0.077 0.000 2.037 50 I CB -0.668 37.248 38.000 -0.141 0.000 3.867 50 I HN 0.225 nan 8.210 nan 0.000 0.169 51 G N 4.270 113.047 108.800 -0.038 0.000 3.079 51 G HA2 0.335 4.297 3.960 0.002 0.000 0.205 51 G HA3 0.335 4.297 3.960 0.002 0.000 0.205 51 G C 0.941 175.899 174.900 0.097 0.000 1.203 51 G CA 0.589 45.703 45.100 0.024 0.000 0.929 51 G HN 1.364 nan 8.290 nan 0.000 0.498 52 G N 0.125 108.974 108.800 0.082 0.000 2.535 52 G HA2 0.289 4.250 3.960 0.002 0.000 0.210 52 G HA3 0.289 4.250 3.960 0.002 0.000 0.210 52 G C 0.787 175.742 174.900 0.092 0.000 1.593 52 G CA -0.132 45.081 45.100 0.188 0.000 0.948 52 G HN 0.331 nan 8.290 nan 0.000 0.476 53 L N 0.366 121.619 121.223 0.050 0.000 2.985 53 L HA 0.191 4.532 4.340 0.002 0.000 0.201 53 L C 0.321 177.196 176.870 0.008 0.000 1.291 53 L CA -0.686 54.164 54.840 0.017 0.000 1.141 53 L CB -0.013 42.051 42.059 0.008 0.000 2.131 53 L HN 0.498 nan 8.230 nan 0.000 0.538 54 N N 1.022 119.721 118.700 -0.001 0.000 1.994 54 N HA -0.211 4.531 4.740 0.002 0.000 0.282 54 N C -0.599 174.911 175.510 -0.001 0.000 1.372 54 N CA 1.035 54.081 53.050 -0.005 0.000 0.983 54 N CB -0.128 38.351 38.487 -0.013 0.000 1.390 54 N HN 0.728 nan 8.380 nan 0.000 0.481 55 D N 0.626 121.031 120.400 0.008 0.000 1.068 55 D HA 0.001 4.643 4.640 0.002 0.000 0.853 55 D C -1.723 174.590 176.300 0.022 0.000 0.459 55 D CA 0.079 54.087 54.000 0.013 0.000 1.343 55 D CB -0.866 39.936 40.800 0.003 0.000 1.269 55 D HN 0.183 nan 8.370 nan 0.000 0.405 56 P HA -0.181 nan 4.420 nan 0.000 0.230 56 P C -0.034 177.279 177.300 0.022 0.000 1.150 56 P CA 1.996 65.109 63.100 0.023 0.000 0.933 56 P CB -0.018 31.702 31.700 0.032 0.000 0.785 57 R N -2.599 117.919 120.500 0.029 0.000 2.583 57 R HA 0.392 4.734 4.340 0.002 0.000 0.329 57 R C 0.099 176.422 176.300 0.040 0.000 1.166 57 R CA -0.204 55.907 56.100 0.018 0.000 1.264 57 R CB 0.300 30.604 30.300 0.006 0.000 1.324 57 R HN 0.162 nan 8.270 nan 0.000 0.684 58 L N -1.617 119.650 121.223 0.073 0.000 2.426 58 L HA 0.723 5.064 4.340 0.002 0.000 0.260 58 L C 0.810 177.767 176.870 0.144 0.000 1.233 58 L CA -0.950 53.977 54.840 0.146 0.000 1.267 58 L CB 1.145 43.251 42.059 0.079 0.000 1.814 58 L HN 0.284 nan 8.230 nan 0.000 0.561 59 G N -0.527 108.327 108.800 0.090 0.000 2.516 59 G HA2 0.434 4.396 3.960 0.002 0.000 0.276 59 G HA3 0.434 4.396 3.960 0.002 0.000 0.276 59 G C -0.720 174.191 174.900 0.018 0.000 1.390 59 G CA 0.283 45.407 45.100 0.039 0.000 1.050 59 G HN 0.646 nan 8.290 nan 0.000 0.519 60 S N -2.273 113.428 115.700 0.001 0.000 2.740 60 S HA 0.665 5.136 4.470 0.002 0.000 0.300 60 S C 0.069 174.662 174.600 -0.012 0.000 1.147 60 S CA -0.682 57.517 58.200 -0.003 0.000 0.871 60 S CB 1.972 65.173 63.200 0.002 0.000 1.173 60 S HN 0.270 nan 8.310 nan 0.000 0.510 61 I N -0.233 120.330 120.570 -0.012 0.000 4.046 61 I HA 0.278 4.449 4.170 0.002 0.000 0.285 61 I C 0.573 176.681 176.117 -0.015 0.000 1.183 61 I CA 0.238 61.528 61.300 -0.016 0.000 1.337 61 I CB 0.114 38.104 38.000 -0.016 0.000 1.478 61 I HN 0.692 nan 8.210 nan 0.000 0.452 62 D N 1.848 122.240 120.400 -0.013 0.000 2.652 62 D HA 0.064 4.706 4.640 0.002 0.000 0.247 62 D C 0.074 176.367 176.300 -0.011 0.000 1.232 62 D CA 0.053 54.046 54.000 -0.013 0.000 0.863 62 D CB -0.445 40.347 40.800 -0.013 0.000 1.023 62 D HN -0.032 nan 8.370 nan 0.000 0.474 63 R N 0.158 120.652 120.500 -0.010 0.000 3.266 63 R HA -0.222 4.120 4.340 0.002 0.000 0.245 63 R C -0.683 175.614 176.300 -0.006 0.000 0.941 63 R CA 0.345 56.440 56.100 -0.008 0.000 0.638 63 R CB -1.800 28.494 30.300 -0.009 0.000 1.019 63 R HN 0.235 nan 8.270 nan 0.000 0.462 64 N N 0.492 119.189 118.700 -0.004 0.000 2.455 64 N HA 0.143 4.884 4.740 0.002 0.000 0.280 64 N C 1.403 176.915 175.510 0.003 0.000 1.055 64 N CA -0.500 52.549 53.050 -0.002 0.000 0.961 64 N CB 0.811 39.296 38.487 -0.003 0.000 1.121 64 N HN 0.075 nan 8.380 nan 0.000 0.476 65 L N 0.818 122.043 121.223 0.004 0.000 2.103 65 L HA -0.206 4.135 4.340 0.002 0.000 0.215 65 L C 0.773 177.652 176.870 0.014 0.000 1.080 65 L CA 1.299 56.144 54.840 0.009 0.000 0.764 65 L CB -0.253 41.810 42.059 0.007 0.000 0.890 65 L HN 0.330 nan 8.230 nan 0.000 0.435 66 K N 0.717 121.124 120.400 0.011 0.000 2.255 66 K HA -0.104 4.218 4.320 0.002 0.000 0.269 66 K C -0.115 176.500 176.600 0.025 0.000 1.158 66 K CA 0.392 56.687 56.287 0.014 0.000 1.155 66 K CB -0.172 32.332 32.500 0.007 0.000 0.889 66 K HN 0.207 nan 8.250 nan 0.000 0.440 67 C N 5.245 124.569 119.300 0.040 0.000 2.975 67 C HA 0.064 4.525 4.460 0.002 0.000 0.234 67 C C -0.521 174.501 174.990 0.053 0.000 1.666 67 C CA -0.540 58.523 59.018 0.075 0.000 1.534 67 C CB -1.637 26.176 27.740 0.122 0.000 2.642 67 C HN 0.951 nan 8.230 nan 0.000 0.516 68 Q N 0.776 120.588 119.800 0.020 0.000 2.397 68 Q HA -0.201 4.141 4.340 0.002 0.000 0.362 68 Q C 0.491 176.479 176.000 -0.021 0.000 1.324 68 Q CA 1.369 57.166 55.803 -0.009 0.000 1.063 68 Q CB -2.516 26.206 28.738 -0.028 0.000 1.185 68 Q HN 0.824 nan 8.270 nan 0.000 0.305 69 T N -1.515 113.034 114.554 -0.008 0.000 11.377 69 T HA -0.461 3.891 4.350 0.002 0.000 0.415 69 T C 1.545 176.245 174.700 0.000 0.000 1.474 69 T CA 2.689 64.785 62.100 -0.007 0.000 2.441 69 T CB -1.996 66.864 68.868 -0.014 0.000 2.870 69 T HN 1.339 nan 8.240 nan 0.000 0.977 70 C N 3.137 122.435 119.300 -0.004 0.000 2.403 70 C HA -0.117 4.345 4.460 0.002 0.000 0.277 70 C C 2.068 177.084 174.990 0.044 0.000 1.248 70 C CA 2.302 61.332 59.018 0.021 0.000 1.762 70 C CB -1.648 26.110 27.740 0.030 0.000 2.014 70 C HN 0.936 nan 8.230 nan 0.000 0.486 71 Q N -0.005 119.820 119.800 0.042 0.000 2.046 71 Q HA -0.323 4.019 4.340 0.002 0.000 0.437 71 Q C 0.567 176.592 176.000 0.041 0.000 0.778 71 Q CA 2.103 57.929 55.803 0.037 0.000 0.836 71 Q CB -1.410 27.341 28.738 0.022 0.000 3.591 71 Q HN 0.587 nan 8.270 nan 0.000 0.849 72 E N 0.316 120.533 120.200 0.029 0.000 3.070 72 E HA -0.185 4.166 4.350 0.002 0.000 0.285 72 E C 0.778 177.389 176.600 0.018 0.000 0.972 72 E CA 2.295 58.710 56.400 0.025 0.000 0.915 72 E CB -2.015 27.704 29.700 0.032 0.000 1.466 72 E HN 1.522 nan 8.360 nan 0.000 0.432 73 G N 0.330 109.140 108.800 0.016 0.000 2.692 73 G HA2 -0.326 3.636 3.960 0.002 0.000 0.248 73 G HA3 -0.326 3.636 3.960 0.002 0.000 0.248 73 G C 0.822 175.725 174.900 0.003 0.000 1.340 73 G CA 0.719 45.823 45.100 0.007 0.000 0.896 73 G HN 0.382 nan 8.290 nan 0.000 0.570 74 M N -1.146 118.451 119.600 -0.007 0.000 2.428 74 M HA 0.400 4.881 4.480 0.002 0.000 0.239 74 M C 1.023 177.310 176.300 -0.022 0.000 1.121 74 M CA 0.707 55.997 55.300 -0.018 0.000 1.019 74 M CB 0.392 32.978 32.600 -0.022 0.000 1.485 74 M HN 0.263 nan 8.290 nan 0.000 0.484 75 N N 1.488 120.179 118.700 -0.015 0.000 2.714 75 N HA 0.113 4.855 4.740 0.002 0.000 0.298 75 N C -0.075 175.429 175.510 -0.011 0.000 1.298 75 N CA 0.385 53.426 53.050 -0.016 0.000 1.007 75 N CB 0.534 39.012 38.487 -0.014 0.000 1.318 75 N HN 0.570 nan 8.380 nan 0.000 0.516 76 E N -1.362 118.832 120.200 -0.011 0.000 1.637 76 E HA 0.031 4.382 4.350 0.002 0.000 0.219 76 E C -0.672 175.927 176.600 -0.002 0.000 1.053 76 E CA -0.115 56.284 56.400 -0.001 0.000 1.275 76 E CB -0.509 29.197 29.700 0.010 0.000 4.322 76 E HN 0.163 nan 8.360 nan 0.000 0.847 77 C N 4.282 123.576 119.300 -0.011 0.000 2.566 77 C HA 0.428 4.890 4.460 0.002 0.000 0.393 77 C C -0.909 174.014 174.990 -0.110 0.000 1.309 77 C CA -0.954 58.042 59.018 -0.036 0.000 1.801 77 C CB 0.668 28.396 27.740 -0.021 0.000 2.493 77 C HN 0.404 nan 8.230 nan 0.000 0.575 78 P HA 0.179 nan 4.420 nan 0.000 0.229 78 P C 0.534 177.699 177.300 -0.226 0.000 1.160 78 P CA 1.358 64.381 63.100 -0.129 0.000 0.777 78 P CB -0.123 31.543 31.700 -0.057 0.000 0.814 79 G N 1.086 109.612 108.800 -0.457 0.000 3.307 79 G HA2 -0.115 3.846 3.960 0.002 0.000 0.686 79 G HA3 -0.115 3.846 3.960 0.002 0.000 0.686 79 G C -0.827 173.786 174.900 -0.479 0.000 0.983 79 G CA -0.798 44.011 45.100 -0.485 0.000 0.804 79 G HN 0.392 nan 8.290 nan 0.000 0.531 80 H N 1.961 121.007 119.070 -0.041 0.000 2.489 80 H HA 0.516 5.073 4.556 0.002 0.000 0.322 80 H C 0.554 175.884 175.328 0.002 0.000 1.091 80 H CA -0.618 55.444 56.048 0.023 0.000 1.291 80 H CB 1.048 30.834 29.762 0.041 0.000 1.436 80 H HN 0.375 nan 8.280 nan 0.000 0.480 81 F N 0.849 120.875 119.950 0.126 0.000 2.490 81 F HA 0.304 4.833 4.527 0.003 0.000 0.336 81 F C 1.379 177.224 175.800 0.075 0.000 1.178 81 F CA 0.886 58.929 58.000 0.071 0.000 1.301 81 F CB 0.851 39.877 39.000 0.043 0.000 1.175 81 F HN 0.594 nan 8.300 nan 0.000 0.593 82 G N -0.010 108.984 108.800 0.323 0.000 2.816 82 G HA2 0.608 4.569 3.960 0.002 0.000 0.288 82 G HA3 0.608 4.569 3.960 0.002 0.000 0.288 82 G C -2.078 172.977 174.900 0.258 0.000 1.334 82 G CA -0.677 44.560 45.100 0.227 0.000 0.978 82 G HN 0.873 nan 8.290 nan 0.000 0.493 83 H N -2.320 116.775 119.070 0.041 0.000 2.996 83 H HA 0.731 5.289 4.556 0.002 0.000 0.368 83 H C -1.812 173.509 175.328 -0.012 0.000 1.185 83 H CA -1.030 55.017 56.048 -0.002 0.000 1.160 83 H CB 2.120 31.869 29.762 -0.022 0.000 1.820 83 H HN 0.590 nan 8.280 nan 0.000 0.547 84 I N 2.442 122.910 120.570 -0.169 0.000 2.478 84 I HA 0.232 4.404 4.170 0.002 0.000 0.287 84 I C -1.107 174.954 176.117 -0.093 0.000 1.042 84 I CA -0.808 60.361 61.300 -0.218 0.000 1.067 84 I CB 1.586 39.495 38.000 -0.151 0.000 1.233 84 I HN 0.730 nan 8.210 nan 0.000 0.431 85 D N 8.936 129.279 120.400 -0.095 0.000 2.374 85 D HA 0.254 4.896 4.640 0.002 0.000 0.240 85 D C -0.238 176.053 176.300 -0.016 0.000 1.229 85 D CA 0.124 54.122 54.000 -0.003 0.000 0.895 85 D CB 0.899 41.708 40.800 0.016 0.000 1.046 85 D HN 0.398 nan 8.370 nan 0.000 0.498 86 L N 1.665 122.888 121.223 -0.001 0.000 2.360 86 L HA 0.206 4.548 4.340 0.002 0.000 0.276 86 L C 1.657 178.533 176.870 0.011 0.000 1.121 86 L CA -0.474 54.365 54.840 -0.001 0.000 0.845 86 L CB 1.086 43.149 42.059 0.006 0.000 1.143 86 L HN 0.306 nan 8.230 nan 0.000 0.452 87 A N 3.696 126.521 122.820 0.009 0.000 1.968 87 A HA 0.019 4.340 4.320 0.002 0.000 0.217 87 A C 0.889 178.483 177.584 0.016 0.000 1.169 87 A CA 0.997 53.045 52.037 0.018 0.000 0.638 87 A CB -0.014 19.002 19.000 0.025 0.000 0.812 87 A HN 0.691 nan 8.150 nan 0.000 0.446 88 K N 0.593 120.998 120.400 0.009 0.000 2.450 88 K HA 0.408 4.729 4.320 0.002 0.000 0.257 88 K C -2.935 173.661 176.600 -0.008 0.000 0.953 88 K CA -2.215 54.072 56.287 0.000 0.000 0.844 88 K CB 1.530 34.029 32.500 -0.002 0.000 1.103 88 K HN -0.047 nan 8.250 nan 0.000 0.429 89 P HA -0.110 nan 4.420 nan 0.000 0.263 89 P C -0.845 176.401 177.300 -0.090 0.000 1.162 89 P CA 0.128 63.202 63.100 -0.043 0.000 0.758 89 P CB 0.476 32.138 31.700 -0.064 0.000 0.773 90 V N 4.166 124.038 119.914 -0.070 0.000 2.962 90 V HA 0.381 4.503 4.120 0.002 0.000 0.313 90 V C 0.290 176.357 176.094 -0.045 0.000 1.099 90 V CA -0.642 61.618 62.300 -0.066 0.000 0.971 90 V CB 1.548 33.396 31.823 0.042 0.000 1.028 90 V HN 0.328 nan 8.190 nan 0.000 0.430 91 F N 1.164 121.187 119.950 0.121 0.000 2.456 91 F HA 0.234 4.762 4.527 0.002 0.000 0.306 91 F C 0.851 176.752 175.800 0.168 0.000 1.278 91 F CA 0.289 58.382 58.000 0.153 0.000 1.264 91 F CB 0.124 39.201 39.000 0.129 0.000 1.253 91 F HN 0.574 nan 8.300 nan 0.000 0.554 92 H N -0.012 119.258 119.070 0.334 0.000 2.336 92 H HA 0.362 4.920 4.556 0.002 0.000 0.230 92 H C 0.534 175.840 175.328 -0.036 0.000 1.426 92 H CA -0.441 55.700 56.048 0.155 0.000 1.359 92 H CB -0.116 29.793 29.762 0.245 0.000 1.555 92 H HN 0.453 nan 8.280 nan 0.000 0.512 93 V N 0.926 120.862 119.914 0.036 0.000 1.578 93 V HA -0.474 3.647 4.120 0.002 0.000 0.128 93 V C 2.337 178.335 176.094 -0.160 0.000 1.207 93 V CA 2.357 64.615 62.300 -0.070 0.000 2.497 93 V CB -1.568 30.184 31.823 -0.119 0.000 0.879 93 V HN 0.730 nan 8.190 nan 0.000 0.464 94 G N -1.683 106.864 108.800 -0.421 0.000 2.744 94 G HA2 0.085 4.047 3.960 0.002 0.000 0.211 94 G HA3 0.085 4.047 3.960 0.002 0.000 0.211 94 G C 1.026 175.603 174.900 -0.539 0.000 1.143 94 G CA 0.650 45.361 45.100 -0.649 0.000 0.788 94 G HN 0.636 nan 8.290 nan 0.000 0.534 95 F N -0.005 119.818 119.950 -0.212 0.000 2.695 95 F HA 0.264 4.793 4.527 0.003 0.000 0.303 95 F C 2.048 177.810 175.800 -0.062 0.000 1.091 95 F CA -0.871 57.035 58.000 -0.156 0.000 1.300 95 F CB 0.409 39.311 39.000 -0.163 0.000 1.071 95 F HN -0.025 nan 8.300 nan 0.000 0.578 96 I N 0.976 121.603 120.570 0.096 0.000 2.145 96 I HA -0.361 3.810 4.170 0.002 0.000 0.244 96 I C 2.751 178.879 176.117 0.018 0.000 1.075 96 I CA 1.681 62.989 61.300 0.013 0.000 1.332 96 I CB -1.537 36.419 38.000 -0.072 0.000 1.033 96 I HN 0.107 nan 8.210 nan 0.000 0.410 97 A N -0.069 122.755 122.820 0.007 0.000 1.978 97 A HA -0.230 4.092 4.320 0.002 0.000 0.220 97 A C 2.443 180.018 177.584 -0.016 0.000 1.170 97 A CA 1.745 53.773 52.037 -0.015 0.000 0.636 97 A CB -0.375 18.602 19.000 -0.038 0.000 0.810 97 A HN 0.402 nan 8.150 nan 0.000 0.448 98 K N -1.003 119.408 120.400 0.018 0.000 2.214 98 K HA 0.203 4.525 4.320 0.002 0.000 0.201 98 K C 1.790 178.443 176.600 0.089 0.000 1.049 98 K CA 0.667 56.948 56.287 -0.010 0.000 0.978 98 K CB -0.130 32.288 32.500 -0.136 0.000 0.842 98 K HN 0.496 nan 8.250 nan 0.000 0.474 99 I N 1.868 122.510 120.570 0.120 0.000 2.194 99 I HA -0.330 3.841 4.170 0.002 0.000 0.246 99 I C 2.531 178.823 176.117 0.293 0.000 1.093 99 I CA 1.218 62.650 61.300 0.221 0.000 1.355 99 I CB -0.313 37.868 38.000 0.301 0.000 1.046 99 I HN 0.090 nan 8.210 nan 0.000 0.413 100 K N 1.932 122.452 120.400 0.200 0.000 2.057 100 K HA -0.203 4.118 4.320 0.002 0.000 0.207 100 K C 2.011 178.768 176.600 0.263 0.000 1.049 100 K CA 1.686 58.086 56.287 0.190 0.000 0.931 100 K CB -0.130 32.437 32.500 0.111 0.000 0.714 100 K HN 0.301 nan 8.250 nan 0.000 0.440 101 K N 0.275 120.824 120.400 0.249 0.000 2.209 101 K HA -0.081 4.240 4.320 0.002 0.000 0.204 101 K C 1.943 178.830 176.600 0.479 0.000 1.048 101 K CA 1.181 57.664 56.287 0.327 0.000 0.940 101 K CB 0.113 32.634 32.500 0.035 0.000 0.729 101 K HN 0.002 nan 8.250 nan 0.000 0.451 102 V N -0.011 120.181 119.914 0.463 0.000 2.649 102 V HA -0.195 3.926 4.120 0.002 0.000 0.248 102 V C 2.128 178.465 176.094 0.404 0.000 1.054 102 V CA 1.138 63.734 62.300 0.493 0.000 1.073 102 V CB -0.302 31.869 31.823 0.580 0.000 0.699 102 V HN 0.369 nan 8.190 nan 0.000 0.463 103 C N 0.138 119.653 119.300 0.359 0.000 2.456 103 C HA -0.026 4.435 4.460 0.002 0.000 0.279 103 C C 2.227 177.300 174.990 0.137 0.000 1.427 103 C CA 0.434 59.569 59.018 0.195 0.000 1.778 103 C CB -1.082 26.758 27.740 0.165 0.000 1.842 103 C HN 0.579 nan 8.230 nan 0.000 0.531 104 E N -1.563 118.756 120.200 0.199 0.000 2.465 104 E HA 0.017 4.368 4.350 0.002 0.000 0.191 104 E C 1.325 177.971 176.600 0.076 0.000 1.053 104 E CA 0.011 56.486 56.400 0.125 0.000 0.869 104 E CB 0.149 29.963 29.700 0.190 0.000 0.977 104 E HN 0.626 nan 8.360 nan 0.000 0.483 105 C N -0.239 119.136 119.300 0.125 0.000 3.836 105 C HA 0.245 4.706 4.460 0.002 0.000 0.470 105 C C 0.187 175.220 174.990 0.072 0.000 1.496 105 C CA -0.224 58.840 59.018 0.078 0.000 2.135 105 C CB 0.675 28.476 27.740 0.101 0.000 3.162 105 C HN -0.058 nan 8.230 nan 0.000 0.666 106 V N 0.932 120.902 119.914 0.094 0.000 2.487 106 V HA 0.332 4.453 4.120 0.002 0.000 0.298 106 V C 0.244 176.350 176.094 0.020 0.000 1.028 106 V CA -0.778 61.561 62.300 0.065 0.000 0.860 106 V CB 1.133 33.019 31.823 0.104 0.000 0.991 106 V HN 0.433 nan 8.190 nan 0.000 0.427 107 C N 7.116 126.426 119.300 0.016 0.000 2.702 107 C HA 0.250 4.711 4.460 0.002 0.000 0.411 107 C C 0.682 175.682 174.990 0.016 0.000 1.286 107 C CA -0.216 58.816 59.018 0.022 0.000 1.979 107 C CB -0.277 27.482 27.740 0.032 0.000 2.728 107 C HN 0.775 nan 8.230 nan 0.000 0.652 108 M N 4.523 124.157 119.600 0.057 0.000 2.267 108 M HA 0.318 4.799 4.480 0.002 0.000 0.303 108 M C 1.293 177.675 176.300 0.137 0.000 1.164 108 M CA 0.142 55.475 55.300 0.054 0.000 1.060 108 M CB -0.022 32.642 32.600 0.107 0.000 1.455 108 M HN 0.960 nan 8.290 nan 0.000 0.483 109 H N -0.522 118.567 119.070 0.031 0.000 4.988 109 H HA -0.270 4.288 4.556 0.003 0.000 0.062 109 H C 1.658 176.987 175.328 0.001 0.000 0.573 109 H CA 2.630 58.691 56.048 0.022 0.000 0.989 109 H CB -1.234 28.545 29.762 0.028 0.000 0.461 109 H HN 0.881 nan 8.280 nan 0.000 0.781 110 C N 1.191 120.561 119.300 0.117 0.000 2.541 110 C HA 0.585 5.047 4.460 0.002 0.000 0.284 110 C C 1.589 176.587 174.990 0.013 0.000 1.341 110 C CA 1.335 60.379 59.018 0.043 0.000 1.732 110 C CB -0.146 27.612 27.740 0.031 0.000 2.126 110 C HN 1.410 nan 8.230 nan 0.000 0.505 111 G N 1.683 110.490 108.800 0.011 0.000 2.828 111 G HA2 -0.007 3.955 3.960 0.002 0.000 0.262 111 G HA3 -0.007 3.955 3.960 0.002 0.000 0.262 111 G C -0.668 174.232 174.900 -0.000 0.000 1.033 111 G CA 0.458 45.554 45.100 -0.007 0.000 1.248 111 G HN 1.052 nan 8.290 nan 0.000 0.551 112 K N 0.807 121.210 120.400 0.005 0.000 2.607 112 K HA 0.513 4.835 4.320 0.002 0.000 0.287 112 K C 0.327 176.937 176.600 0.016 0.000 0.996 112 K CA -1.197 55.092 56.287 0.004 0.000 0.876 112 K CB 1.291 33.790 32.500 -0.003 0.000 1.496 112 K HN 0.299 nan 8.250 nan 0.000 0.415 113 L N 3.234 124.466 121.223 0.016 0.000 2.506 113 L HA -0.035 4.307 4.340 0.002 0.000 0.281 113 L C 1.422 178.303 176.870 0.018 0.000 1.228 113 L CA 0.224 55.078 54.840 0.023 0.000 0.850 113 L CB 0.276 42.348 42.059 0.020 0.000 1.110 113 L HN 0.618 nan 8.230 nan 0.000 0.496 114 L N 3.327 124.558 121.223 0.013 0.000 2.341 114 L HA 0.136 4.477 4.340 0.002 0.000 0.214 114 L C 0.115 176.991 176.870 0.010 0.000 1.115 114 L CA 0.550 55.394 54.840 0.006 0.000 0.820 114 L CB -0.054 41.999 42.059 -0.009 0.000 0.944 114 L HN 0.435 nan 8.230 nan 0.000 0.452 115 L N -0.729 120.503 121.223 0.016 0.000 2.464 115 L HA 0.352 4.694 4.340 0.002 0.000 0.266 115 L C -1.144 175.752 176.870 0.044 0.000 0.965 115 L CA -0.546 54.313 54.840 0.032 0.000 0.833 115 L CB 2.606 44.675 42.059 0.017 0.000 1.296 115 L HN -0.155 nan 8.230 nan 0.000 0.405 116 D N 0.312 120.765 120.400 0.088 0.000 2.530 116 D HA 0.187 4.828 4.640 0.002 0.000 0.282 116 D C 0.432 176.721 176.300 -0.018 0.000 1.204 116 D CA -0.332 53.703 54.000 0.058 0.000 1.093 116 D CB 0.824 41.704 40.800 0.133 0.000 1.154 116 D HN 0.448 nan 8.370 nan 0.000 0.593 117 E N -0.582 119.520 120.200 -0.164 0.000 2.520 117 E HA -0.070 4.281 4.350 0.002 0.000 0.201 117 E C 0.924 177.381 176.600 -0.238 0.000 1.122 117 E CA 0.540 56.821 56.400 -0.198 0.000 0.896 117 E CB -0.119 29.450 29.700 -0.218 0.000 0.891 117 E HN 0.347 nan 8.360 nan 0.000 0.533 118 H N -0.536 118.532 119.070 -0.003 0.000 2.431 118 H HA 0.059 4.617 4.556 0.002 0.000 0.295 118 H C 0.911 176.236 175.328 -0.005 0.000 1.038 118 H CA 0.361 56.407 56.048 -0.004 0.000 1.360 118 H CB 0.112 29.871 29.762 -0.006 0.000 1.433 118 H HN 0.111 nan 8.280 nan 0.000 0.536 119 N N 2.012 120.776 118.700 0.106 0.000 2.497 119 N HA -0.089 4.653 4.740 0.002 0.000 0.268 119 N C 0.892 176.418 175.510 0.026 0.000 1.171 119 N CA 0.298 53.379 53.050 0.052 0.000 0.948 119 N CB 1.363 39.871 38.487 0.034 0.000 1.069 119 N HN 0.316 nan 8.380 nan 0.000 0.460 120 E N 2.622 122.834 120.200 0.020 0.000 2.427 120 E HA 0.002 4.354 4.350 0.002 0.000 0.196 120 E C 1.183 177.788 176.600 0.007 0.000 1.028 120 E CA 0.534 56.941 56.400 0.012 0.000 0.864 120 E CB 0.285 29.992 29.700 0.012 0.000 0.813 120 E HN 0.631 nan 8.360 nan 0.000 0.514 121 L N -0.581 120.646 121.223 0.006 0.000 2.408 121 L HA 0.085 4.426 4.340 0.002 0.000 0.215 121 L C 2.038 178.911 176.870 0.004 0.000 1.081 121 L CA 0.037 54.879 54.840 0.003 0.000 0.840 121 L CB 0.049 42.108 42.059 -0.001 0.000 1.002 121 L HN 0.218 nan 8.230 nan 0.000 0.468 122 M N -0.183 119.419 119.600 0.003 0.000 2.492 122 M HA -0.038 4.444 4.480 0.002 0.000 0.262 122 M C 2.072 178.372 176.300 0.000 0.000 1.090 122 M CA 1.454 56.756 55.300 0.003 0.000 1.110 122 M CB -0.296 32.307 32.600 0.005 0.000 1.407 122 M HN -0.034 nan 8.290 nan 0.000 0.470 123 R N -0.690 119.808 120.500 -0.002 0.000 2.115 123 R HA -0.083 4.259 4.340 0.002 0.000 0.230 123 R C 1.813 178.114 176.300 0.001 0.000 1.111 123 R CA 1.445 57.541 56.100 -0.007 0.000 0.976 123 R CB -0.228 30.067 30.300 -0.009 0.000 0.870 123 R HN 0.550 nan 8.270 nan 0.000 0.445 124 Q N -0.843 118.961 119.800 0.006 0.000 2.451 124 Q HA 0.106 4.448 4.340 0.002 0.000 0.206 124 Q C 1.487 177.497 176.000 0.018 0.000 0.947 124 Q CA 0.634 56.444 55.803 0.012 0.000 0.937 124 Q CB 0.663 29.408 28.738 0.012 0.000 1.025 124 Q HN 0.313 nan 8.270 nan 0.000 0.511 125 A N 0.264 123.095 122.820 0.017 0.000 1.942 125 A HA 0.050 4.372 4.320 0.002 0.000 0.209 125 A C 1.828 179.430 177.584 0.030 0.000 1.214 125 A CA 0.213 52.265 52.037 0.025 0.000 0.686 125 A CB -0.206 18.806 19.000 0.021 0.000 0.871 125 A HN 0.241 nan 8.150 nan 0.000 0.460 126 L N -0.378 120.858 121.223 0.022 0.000 2.275 126 L HA -0.105 4.237 4.340 0.002 0.000 0.215 126 L C 2.655 179.542 176.870 0.028 0.000 1.119 126 L CA 0.980 55.836 54.840 0.026 0.000 0.790 126 L CB -0.224 41.842 42.059 0.012 0.000 0.919 126 L HN 0.430 nan 8.230 nan 0.000 0.443 127 A N -0.660 122.174 122.820 0.024 0.000 2.147 127 A HA 0.160 4.481 4.320 0.002 0.000 0.211 127 A C 1.145 178.747 177.584 0.030 0.000 1.160 127 A CA -0.218 51.833 52.037 0.023 0.000 0.781 127 A CB -0.082 18.928 19.000 0.016 0.000 0.842 127 A HN 0.218 nan 8.150 nan 0.000 0.475 128 I N 1.028 121.619 120.570 0.035 0.000 2.813 128 I HA 0.028 4.199 4.170 0.002 0.000 0.287 128 I C 0.181 176.324 176.117 0.044 0.000 1.196 128 I CA 0.034 61.357 61.300 0.038 0.000 1.421 128 I CB 0.708 38.733 38.000 0.041 0.000 1.365 128 I HN 0.217 nan 8.210 nan 0.000 0.591 129 K N 5.164 125.588 120.400 0.040 0.000 2.098 129 K HA 0.247 4.568 4.320 0.002 0.000 0.244 129 K C -0.913 175.713 176.600 0.044 0.000 1.014 129 K CA -0.529 55.783 56.287 0.041 0.000 0.917 129 K CB 0.378 32.899 32.500 0.035 0.000 1.072 129 K HN 0.612 nan 8.250 nan 0.000 0.477 130 D N 0.255 120.680 120.400 0.042 0.000 5.896 130 D HA -0.103 4.539 4.640 0.002 0.000 0.234 130 D C -0.037 176.292 176.300 0.049 0.000 1.700 130 D CA 0.207 54.230 54.000 0.039 0.000 1.455 130 D CB -0.204 40.618 40.800 0.036 0.000 0.624 130 D HN 0.509 nan 8.370 nan 0.000 0.340 131 S N 1.987 117.710 115.700 0.039 0.000 2.469 131 S HA -0.150 4.321 4.470 0.002 0.000 0.238 131 S C 1.765 176.389 174.600 0.040 0.000 0.998 131 S CA 0.966 59.192 58.200 0.043 0.000 0.957 131 S CB 0.336 63.541 63.200 0.009 0.000 0.764 131 S HN 0.365 nan 8.310 nan 0.000 0.514 132 K N 0.598 121.013 120.400 0.025 0.000 2.128 132 K HA 0.116 4.438 4.320 0.002 0.000 0.202 132 K C 1.790 178.437 176.600 0.079 0.000 1.050 132 K CA 0.734 57.031 56.287 0.016 0.000 0.966 132 K CB 0.029 32.520 32.500 -0.014 0.000 0.759 132 K HN 0.011 nan 8.250 nan 0.000 0.454 133 K N 0.551 120.997 120.400 0.076 0.000 2.418 133 K HA 0.059 4.381 4.320 0.002 0.000 0.195 133 K C 1.775 178.443 176.600 0.112 0.000 1.035 133 K CA 0.380 56.721 56.287 0.090 0.000 1.003 133 K CB 0.184 32.722 32.500 0.064 0.000 0.793 133 K HN 0.007 nan 8.250 nan 0.000 0.494 134 R N -0.288 120.286 120.500 0.123 0.000 2.066 134 R HA -0.050 4.291 4.340 0.002 0.000 0.232 134 R C 1.842 178.241 176.300 0.164 0.000 1.131 134 R CA 1.324 57.499 56.100 0.125 0.000 0.955 134 R CB -0.281 30.091 30.300 0.121 0.000 0.851 134 R HN 0.200 nan 8.270 nan 0.000 0.432 135 F N 0.982 120.967 119.950 0.058 0.000 2.216 135 F HA -0.131 4.398 4.527 0.003 0.000 0.300 135 F C 2.035 177.899 175.800 0.107 0.000 1.085 135 F CA 1.430 59.476 58.000 0.078 0.000 1.326 135 F CB -0.092 38.923 39.000 0.025 0.000 1.027 135 F HN 0.123 nan 8.300 nan 0.000 0.497 136 A N -0.418 122.572 122.820 0.283 0.000 2.066 136 A HA 0.087 4.409 4.320 0.002 0.000 0.218 136 A C 2.204 179.893 177.584 0.175 0.000 1.157 136 A CA 1.315 53.484 52.037 0.221 0.000 0.670 136 A CB -1.063 18.031 19.000 0.158 0.000 0.804 136 A HN 0.429 nan 8.150 nan 0.000 0.453 137 A N -0.197 122.694 122.820 0.119 0.000 1.911 137 A HA 0.199 4.521 4.320 0.002 0.000 0.212 137 A C 1.989 179.602 177.584 0.047 0.000 1.189 137 A CA 0.911 52.996 52.037 0.080 0.000 0.639 137 A CB -0.386 18.649 19.000 0.059 0.000 0.839 137 A HN 0.404 nan 8.150 nan 0.000 0.449 138 I N -2.109 118.467 120.570 0.011 0.000 2.163 138 I HA -0.253 3.919 4.170 0.002 0.000 0.240 138 I C 2.423 178.510 176.117 -0.050 0.000 1.081 138 I CA 1.622 62.895 61.300 -0.046 0.000 1.353 138 I CB -0.376 37.563 38.000 -0.101 0.000 1.054 138 I HN 0.687 nan 8.210 nan 0.000 0.407 139 W N 1.918 123.054 121.300 -0.274 0.000 2.363 139 W HA -0.219 4.443 4.660 0.003 0.000 0.296 139 W C 2.373 178.835 176.519 -0.095 0.000 1.212 139 W CA 2.003 59.217 57.345 -0.219 0.000 1.260 139 W CB -0.378 28.932 29.460 -0.250 0.000 1.131 139 W HN -0.027 nan 8.180 nan 0.000 0.530 140 T N 1.031 115.589 114.554 0.008 0.000 3.007 140 T HA -0.078 4.273 4.350 0.002 0.000 0.270 140 T C 1.406 175.981 174.700 -0.209 0.000 1.107 140 T CA 1.090 63.085 62.100 -0.175 0.000 1.118 140 T CB -0.222 68.677 68.868 0.052 0.000 0.889 140 T HN 0.136 nan 8.240 nan 0.000 0.506 141 L N -0.355 120.777 121.223 -0.152 0.000 2.857 141 L HA 0.304 4.645 4.340 0.002 0.000 0.249 141 L C 0.955 177.739 176.870 -0.143 0.000 1.172 141 L CA -0.134 54.632 54.840 -0.124 0.000 0.980 141 L CB 0.406 42.428 42.059 -0.063 0.000 1.299 141 L HN 0.287 nan 8.230 nan 0.000 0.535 142 C N -1.063 118.106 119.300 -0.219 0.000 3.757 142 C HA 0.025 4.487 4.460 0.002 0.000 0.358 142 C C 2.341 177.178 174.990 -0.255 0.000 1.484 142 C CA -0.384 58.520 59.018 -0.190 0.000 1.862 142 C CB 0.183 27.841 27.740 -0.136 0.000 2.654 142 C HN 0.509 nan 8.230 nan 0.000 0.699 143 K N 1.183 121.329 120.400 -0.423 0.000 2.217 143 K HA -0.039 4.283 4.320 0.002 0.000 0.202 143 K C 1.338 177.780 176.600 -0.263 0.000 1.051 143 K CA 1.802 57.831 56.287 -0.431 0.000 0.952 143 K CB -0.569 31.489 32.500 -0.738 0.000 0.736 143 K HN 0.340 nan 8.250 nan 0.000 0.453 144 T N 1.077 115.498 114.554 -0.222 0.000 2.851 144 T HA -0.016 4.336 4.350 0.002 0.000 0.262 144 T C 0.542 175.177 174.700 -0.109 0.000 1.043 144 T CA 0.690 62.703 62.100 -0.146 0.000 1.140 144 T CB 0.016 68.812 68.868 -0.121 0.000 0.872 144 T HN 0.161 nan 8.240 nan 0.000 0.446 145 K N 1.567 121.904 120.400 -0.106 0.000 2.383 145 K HA 0.302 4.623 4.320 0.002 0.000 0.286 145 K C 0.570 177.129 176.600 -0.068 0.000 1.051 145 K CA 0.016 56.259 56.287 -0.074 0.000 0.974 145 K CB 1.011 33.474 32.500 -0.062 0.000 0.968 145 K HN 0.297 nan 8.250 nan 0.000 0.475 146 M N 1.699 121.269 119.600 -0.050 0.000 2.530 146 M HA -0.022 4.459 4.480 0.002 0.000 0.245 146 M C 0.777 177.067 176.300 -0.017 0.000 1.198 146 M CA 0.223 55.497 55.300 -0.042 0.000 1.225 146 M CB -0.208 32.371 32.600 -0.035 0.000 1.232 146 M HN 0.327 nan 8.290 nan 0.000 0.494 147 V N -0.533 119.378 119.914 -0.005 0.000 2.901 147 V HA -0.109 4.012 4.120 0.002 0.000 0.307 147 V C 1.229 177.329 176.094 0.009 0.000 1.084 147 V CA -0.616 61.690 62.300 0.011 0.000 1.184 147 V CB 0.528 32.356 31.823 0.007 0.000 0.941 147 V HN 0.741 nan 8.190 nan 0.000 0.493 148 C N 2.673 121.986 119.300 0.020 0.000 2.437 148 C HA 0.135 4.597 4.460 0.002 0.000 0.283 148 C C 1.010 176.001 174.990 0.002 0.000 1.424 148 C CA 0.856 59.883 59.018 0.016 0.000 1.782 148 C CB -2.314 25.443 27.740 0.027 0.000 1.833 148 C HN 1.155 nan 8.230 nan 0.000 0.532 149 E N -1.496 118.703 120.200 -0.003 0.000 7.832 149 E HA -0.146 4.205 4.350 0.002 0.000 0.464 149 E C 0.677 177.266 176.600 -0.018 0.000 0.594 149 E CA 0.404 56.796 56.400 -0.013 0.000 1.043 149 E CB -0.800 28.890 29.700 -0.018 0.000 0.978 149 E HN 0.488 nan 8.360 nan 0.000 0.263 150 T N 1.276 115.817 114.554 -0.022 0.000 2.668 150 T HA -0.056 4.296 4.350 0.002 0.000 0.258 150 T C 0.337 175.014 174.700 -0.038 0.000 1.051 150 T CA 1.243 63.327 62.100 -0.027 0.000 1.155 150 T CB -0.015 68.837 68.868 -0.025 0.000 0.864 150 T HN 0.447 nan 8.240 nan 0.000 0.413 151 D N -0.800 119.572 120.400 -0.047 0.000 2.685 151 D HA 0.338 4.980 4.640 0.002 0.000 0.236 151 D C -1.398 174.853 176.300 -0.081 0.000 1.233 151 D CA -0.442 53.514 54.000 -0.073 0.000 0.760 151 D CB 2.611 43.364 40.800 -0.079 0.000 1.410 151 D HN -0.057 nan 8.370 nan 0.000 0.439 152 V N 2.545 122.386 119.914 -0.122 0.000 2.498 152 V HA 0.300 4.422 4.120 0.002 0.000 0.279 152 V C -1.859 174.168 176.094 -0.113 0.000 1.048 152 V CA -1.186 61.049 62.300 -0.108 0.000 0.967 152 V CB 0.972 32.727 31.823 -0.113 0.000 0.988 152 V HN 0.415 nan 8.190 nan 0.000 0.473 153 P HA 0.011 nan 4.420 nan 0.000 0.266 153 P C 0.206 177.487 177.300 -0.032 0.000 1.186 153 P CA 0.463 63.539 63.100 -0.041 0.000 0.767 153 P CB 0.401 32.088 31.700 -0.021 0.000 0.820 162 V N -0.221 119.654 119.914 -0.064 0.000 2.732 162 V HA 0.893 5.014 4.120 0.002 0.000 0.297 162 V C 0.542 176.568 176.094 -0.113 0.000 1.060 162 V CA -0.156 62.096 62.300 -0.079 0.000 1.038 162 V CB 1.548 33.320 31.823 -0.085 0.000 1.003 162 V HN 0.749 nan 8.190 nan 0.000 0.481 163 S N 3.951 119.605 115.700 -0.078 0.000 2.526 163 S HA 0.918 5.390 4.470 0.002 0.000 0.293 163 S C -0.466 174.106 174.600 -0.047 0.000 1.092 163 S CA -0.991 57.169 58.200 -0.066 0.000 0.980 163 S CB 2.269 65.445 63.200 -0.040 0.000 1.048 163 S HN 1.220 nan 8.310 nan 0.000 0.483 164 R N 0.971 121.443 120.500 -0.046 0.000 3.270 164 R HA 0.833 5.175 4.340 0.002 0.000 0.252 164 R C 0.371 176.661 176.300 -0.017 0.000 1.331 164 R CA -1.031 55.059 56.100 -0.017 0.000 1.028 164 R CB -0.276 30.026 30.300 0.003 0.000 1.450 164 R HN 0.730 nan 8.270 nan 0.000 0.471 165 G N -1.174 107.621 108.800 -0.009 0.000 2.606 165 G HA2 0.465 4.426 3.960 0.002 0.000 0.252 165 G HA3 0.465 4.426 3.960 0.002 0.000 0.252 165 G C -0.373 174.519 174.900 -0.013 0.000 1.206 165 G CA -0.106 44.987 45.100 -0.012 0.000 0.861 165 G HN 0.789 nan 8.290 nan 0.000 0.561 166 G N -1.945 106.847 108.800 -0.013 0.000 2.503 166 G HA2 0.433 4.394 3.960 0.002 0.000 0.305 166 G HA3 0.433 4.394 3.960 0.002 0.000 0.305 166 G C 0.064 174.957 174.900 -0.012 0.000 1.575 166 G CA 0.316 45.410 45.100 -0.011 0.000 0.890 166 G HN 1.469 nan 8.290 nan 0.000 0.612 167 C N 0.159 119.456 119.300 -0.005 0.000 2.937 167 C HA 0.794 5.255 4.460 0.002 0.000 0.426 167 C C 1.931 176.904 174.990 -0.029 0.000 1.321 167 C CA 1.033 60.042 59.018 -0.014 0.000 2.082 167 C CB 0.078 27.822 27.740 0.007 0.000 2.834 167 C HN 2.571 nan 8.230 nan 0.000 0.593 168 G N 2.642 111.436 108.800 -0.011 0.000 2.882 168 G HA2 -0.132 3.829 3.960 0.002 0.000 0.198 168 G HA3 -0.132 3.829 3.960 0.002 0.000 0.198 168 G C -0.168 174.739 174.900 0.011 0.000 1.977 168 G CA -0.007 45.086 45.100 -0.012 0.000 1.541 168 G HN 0.907 nan 8.290 nan 0.000 0.567 169 N N 2.145 120.848 118.700 0.006 0.000 2.305 169 N HA 0.294 5.035 4.740 0.002 0.000 0.232 169 N C 0.535 176.131 175.510 0.144 0.000 1.274 169 N CA 0.947 54.037 53.050 0.067 0.000 0.870 169 N CB 0.198 38.709 38.487 0.040 0.000 1.105 169 N HN 0.808 nan 8.380 nan 0.000 0.436 170 T N -2.398 112.280 114.554 0.207 0.000 2.868 170 T HA 0.014 4.365 4.350 0.002 0.000 0.292 170 T C 0.108 174.884 174.700 0.127 0.000 1.028 170 T CA -0.716 61.478 62.100 0.157 0.000 1.059 170 T CB 1.290 70.243 68.868 0.141 0.000 0.991 170 T HN 0.601 nan 8.240 nan 0.000 0.531 171 Q N 1.863 121.663 119.800 -0.001 0.000 2.279 171 Q HA 0.323 4.664 4.340 0.002 0.000 0.256 171 Q C -2.416 173.426 176.000 -0.264 0.000 0.937 171 Q CA -2.171 53.578 55.803 -0.090 0.000 0.933 171 Q CB 0.566 29.270 28.738 -0.058 0.000 1.189 171 Q HN 0.463 nan 8.270 nan 0.000 0.417 172 P HA 0.009 nan 4.420 nan 0.000 0.269 172 P C -1.021 176.079 177.300 -0.332 0.000 1.215 172 P CA -0.014 62.690 63.100 -0.660 0.000 0.780 172 P CB 0.534 31.729 31.700 -0.841 0.000 0.898 173 T N 3.021 117.412 114.554 -0.273 0.000 3.455 173 T HA 0.270 4.621 4.350 0.002 0.000 0.286 173 T C 0.626 175.254 174.700 -0.120 0.000 1.157 173 T CA -0.141 61.868 62.100 -0.151 0.000 1.090 173 T CB -1.147 67.658 68.868 -0.104 0.000 1.112 173 T HN 0.206 nan 8.240 nan 0.000 0.779 174 I N 2.714 123.227 120.570 -0.096 0.000 2.496 174 I HA 0.319 4.491 4.170 0.002 0.000 0.285 174 I C 0.832 176.945 176.117 -0.007 0.000 1.080 174 I CA -0.337 60.928 61.300 -0.057 0.000 1.404 174 I CB 0.540 38.521 38.000 -0.030 0.000 1.403 174 I HN 0.285 nan 8.210 nan 0.000 0.539 175 R N 5.362 125.857 120.500 -0.008 0.000 2.832 175 R HA 0.410 4.751 4.340 0.002 0.000 0.271 175 R C -0.673 175.628 176.300 0.002 0.000 0.996 175 R CA -0.967 55.137 56.100 0.007 0.000 0.977 175 R CB 1.739 32.041 30.300 0.003 0.000 1.168 175 R HN 0.523 nan 8.270 nan 0.000 0.482 176 K N 1.945 122.348 120.400 0.005 0.000 2.258 176 K HA 0.087 4.408 4.320 0.002 0.000 0.284 176 K C -1.326 175.268 176.600 -0.010 0.000 1.051 176 K CA -0.204 56.074 56.287 -0.014 0.000 0.923 176 K CB 0.833 33.326 32.500 -0.011 0.000 1.046 176 K HN 0.389 nan 8.250 nan 0.000 0.474 177 D N 3.508 123.897 120.400 -0.018 0.000 2.375 177 D HA 0.277 4.918 4.640 0.002 0.000 0.259 177 D C 0.653 176.948 176.300 -0.008 0.000 1.235 177 D CA 0.674 54.672 54.000 -0.005 0.000 0.924 177 D CB 0.913 41.717 40.800 0.007 0.000 1.143 177 D HN 0.827 nan 8.370 nan 0.000 0.529 178 G N 2.738 111.536 108.800 -0.003 0.000 4.011 178 G HA2 -0.361 3.600 3.960 0.002 0.000 0.348 178 G HA3 -0.361 3.600 3.960 0.002 0.000 0.348 178 G C 0.894 175.792 174.900 -0.003 0.000 1.310 178 G CA 0.916 46.023 45.100 0.011 0.000 1.056 178 G HN 0.502 nan 8.290 nan 0.000 0.728 179 L N 0.145 121.370 121.223 0.004 0.000 2.781 179 L HA 0.478 4.820 4.340 0.002 0.000 0.245 179 L C 0.842 177.655 176.870 -0.095 0.000 1.118 179 L CA 0.139 54.974 54.840 -0.008 0.000 0.918 179 L CB 0.676 42.797 42.059 0.102 0.000 1.246 179 L HN 0.178 nan 8.230 nan 0.000 0.526 180 K N 0.306 120.669 120.400 -0.061 0.000 2.306 180 K HA 0.723 5.045 4.320 0.002 0.000 0.236 180 K C -1.128 175.425 176.600 -0.079 0.000 1.013 180 K CA -0.322 55.937 56.287 -0.047 0.000 0.857 180 K CB 2.040 34.583 32.500 0.072 0.000 1.214 180 K HN -0.166 nan 8.250 nan 0.000 0.449 181 L N 1.466 122.670 121.223 -0.032 0.000 2.316 181 L HA 0.481 4.823 4.340 0.002 0.000 0.280 181 L C -0.996 175.895 176.870 0.035 0.000 1.006 181 L CA -1.010 53.822 54.840 -0.013 0.000 0.836 181 L CB 1.533 43.584 42.059 -0.013 0.000 1.221 181 L HN 0.215 nan 8.230 nan 0.000 0.418 182 V N 1.382 121.308 119.914 0.021 0.000 2.617 182 V HA 0.860 4.981 4.120 0.002 0.000 0.298 182 V C 0.558 176.640 176.094 -0.020 0.000 1.048 182 V CA -0.510 61.809 62.300 0.032 0.000 0.964 182 V CB 1.605 33.452 31.823 0.039 0.000 1.004 182 V HN 0.825 nan 8.190 nan 0.000 0.466 183 G N 1.068 109.844 108.800 -0.041 0.000 2.638 183 G HA2 0.555 4.517 3.960 0.002 0.000 0.302 183 G HA3 0.555 4.517 3.960 0.002 0.000 0.302 183 G C -0.870 173.893 174.900 -0.228 0.000 1.365 183 G CA -0.326 44.631 45.100 -0.238 0.000 0.987 183 G HN 0.658 nan 8.290 nan 0.000 0.495 184 S N -0.232 115.317 115.700 -0.251 0.000 2.713 184 S HA 0.757 5.229 4.470 0.002 0.000 0.277 184 S C -0.069 174.410 174.600 -0.201 0.000 1.168 184 S CA -0.596 57.566 58.200 -0.064 0.000 0.994 184 S CB 0.922 64.105 63.200 -0.027 0.000 1.054 184 S HN 0.652 nan 8.310 nan 0.000 0.555 185 W N 0.156 121.468 121.300 0.020 0.000 4.483 185 W HA 0.297 4.959 4.660 0.002 0.000 0.254 185 W C 0.238 176.764 176.519 0.011 0.000 3.468 185 W CA -0.130 57.226 57.345 0.019 0.000 1.148 185 W CB -0.859 28.615 29.460 0.024 0.000 2.114 185 W HN 0.760 nan 8.180 nan 0.000 0.351 200 R N 1.770 122.455 120.500 0.310 0.000 2.298 200 R HA 0.582 4.923 4.340 0.002 0.000 0.310 200 R C -1.134 175.347 176.300 0.301 0.000 1.068 200 R CA -0.403 55.857 56.100 0.268 0.000 0.957 200 R CB 1.140 31.556 30.300 0.193 0.000 1.003 200 R HN 0.409 nan 8.270 nan 0.000 0.454 201 V N 6.330 126.364 119.914 0.199 0.000 2.439 201 V HA 0.215 4.336 4.120 0.002 0.000 0.282 201 V C 0.038 176.234 176.094 0.171 0.000 1.039 201 V CA -0.846 61.554 62.300 0.167 0.000 0.913 201 V CB 1.338 33.241 31.823 0.132 0.000 0.983 201 V HN 0.632 nan 8.190 nan 0.000 0.460 202 L N 4.379 125.705 121.223 0.170 0.000 2.325 202 L HA 0.271 4.612 4.340 0.002 0.000 0.284 202 L C 0.887 177.875 176.870 0.196 0.000 1.089 202 L CA 0.949 55.893 54.840 0.174 0.000 0.836 202 L CB 0.918 43.075 42.059 0.162 0.000 1.184 202 L HN 0.791 nan 8.230 nan 0.000 0.444 203 S N 1.705 117.490 115.700 0.141 0.000 2.584 203 S HA 0.083 4.554 4.470 0.002 0.000 0.270 203 S C 1.403 176.043 174.600 0.067 0.000 1.346 203 S CA -0.074 58.191 58.200 0.108 0.000 1.018 203 S CB 0.777 64.012 63.200 0.059 0.000 0.899 203 S HN 0.759 nan 8.310 nan 0.000 0.542 204 T N 2.756 117.275 114.554 -0.058 0.000 2.770 204 T HA -0.058 4.293 4.350 0.002 0.000 0.263 204 T C 1.689 176.298 174.700 -0.152 0.000 1.039 204 T CA 1.372 63.283 62.100 -0.316 0.000 1.142 204 T CB -0.499 68.046 68.868 -0.538 0.000 0.868 204 T HN 0.813 nan 8.240 nan 0.000 0.435 205 E N 0.855 121.008 120.200 -0.079 0.000 2.130 205 E HA -0.207 4.144 4.350 0.002 0.000 0.196 205 E C 2.255 178.842 176.600 -0.020 0.000 0.998 205 E CA 0.934 57.312 56.400 -0.038 0.000 0.806 205 E CB 0.051 29.741 29.700 -0.017 0.000 0.738 205 E HN 0.372 nan 8.360 nan 0.000 0.459 206 E N 0.205 120.397 120.200 -0.012 0.000 2.058 206 E HA -0.193 4.158 4.350 0.002 0.000 0.194 206 E C 2.134 178.716 176.600 -0.030 0.000 0.997 206 E CA 1.254 57.647 56.400 -0.011 0.000 0.801 206 E CB -0.137 29.567 29.700 0.007 0.000 0.746 206 E HN 0.469 nan 8.360 nan 0.000 0.450 207 I N 1.324 121.883 120.570 -0.019 0.000 2.928 207 I HA -0.149 4.023 4.170 0.002 0.000 0.266 207 I C 2.505 178.630 176.117 0.013 0.000 1.234 207 I CA 0.110 61.385 61.300 -0.041 0.000 1.483 207 I CB -0.207 37.835 38.000 0.069 0.000 1.097 207 I HN 0.092 nan 8.210 nan 0.000 0.455 208 L N 1.541 122.779 121.223 0.025 0.000 2.012 208 L HA -0.229 4.112 4.340 0.002 0.000 0.210 208 L C 2.119 179.001 176.870 0.019 0.000 1.073 208 L CA 2.110 56.977 54.840 0.046 0.000 0.748 208 L CB -0.639 41.431 42.059 0.018 0.000 0.891 208 L HN 0.392 nan 8.230 nan 0.000 0.431 209 N N -0.072 118.620 118.700 -0.012 0.000 2.409 209 N HA -0.099 4.643 4.740 0.002 0.000 0.179 209 N C 1.742 177.245 175.510 -0.011 0.000 1.032 209 N CA 0.778 53.813 53.050 -0.024 0.000 0.898 209 N CB 0.288 38.781 38.487 0.011 0.000 0.971 209 N HN 0.363 nan 8.380 nan 0.000 0.441 210 I N 0.040 120.571 120.570 -0.064 0.000 2.233 210 I HA -0.150 4.022 4.170 0.002 0.000 0.243 210 I C 1.618 177.664 176.117 -0.119 0.000 1.093 210 I CA 0.980 62.196 61.300 -0.141 0.000 1.380 210 I CB -1.095 36.711 38.000 -0.323 0.000 1.067 210 I HN -0.045 nan 8.210 nan 0.000 0.413 211 F N 1.334 121.284 119.950 0.000 0.000 2.456 211 F HA -0.017 4.512 4.527 0.003 0.000 0.298 211 F C 2.444 178.214 175.800 -0.050 0.000 1.104 211 F CA 0.741 58.727 58.000 -0.025 0.000 1.435 211 F CB -0.633 38.331 39.000 -0.060 0.000 1.078 211 F HN 0.054 nan 8.300 nan 0.000 0.546 212 K N -0.652 119.789 120.400 0.069 0.000 2.211 212 K HA -0.146 4.175 4.320 0.002 0.000 0.203 212 K C 1.300 177.838 176.600 -0.104 0.000 1.050 212 K CA 1.153 57.400 56.287 -0.068 0.000 0.945 212 K CB -0.087 32.311 32.500 -0.169 0.000 0.732 212 K HN 0.253 nan 8.250 nan 0.000 0.451 213 H N 0.055 119.148 119.070 0.039 0.000 2.551 213 H HA 0.133 4.691 4.556 0.003 0.000 0.271 213 H C 0.173 175.487 175.328 -0.023 0.000 0.984 213 H CA -0.163 55.889 56.048 0.006 0.000 1.164 213 H CB 0.315 30.073 29.762 -0.005 0.000 1.437 213 H HN 0.040 nan 8.280 nan 0.000 0.550 214 I N 1.637 122.260 120.570 0.087 0.000 2.648 214 I HA -0.097 4.075 4.170 0.002 0.000 0.284 214 I C 1.290 177.241 176.117 -0.278 0.000 1.153 214 I CA 0.254 61.527 61.300 -0.046 0.000 1.426 214 I CB 0.579 38.606 38.000 0.045 0.000 1.381 214 I HN 0.073 nan 8.210 nan 0.000 0.571 215 S N 4.562 120.082 115.700 -0.299 0.000 2.572 215 S HA 0.114 4.586 4.470 0.002 0.000 0.279 215 S C 1.382 175.612 174.600 -0.617 0.000 1.341 215 S CA -0.765 57.241 58.200 -0.324 0.000 1.043 215 S CB 0.976 64.062 63.200 -0.190 0.000 0.887 215 S HN 0.343 nan 8.310 nan 0.000 0.516 216 V N 5.358 125.025 119.914 -0.411 0.000 2.392 216 V HA -0.137 3.985 4.120 0.002 0.000 0.249 216 V C 2.446 178.371 176.094 -0.283 0.000 1.059 216 V CA 2.155 64.243 62.300 -0.354 0.000 1.051 216 V CB -0.850 30.925 31.823 -0.081 0.000 0.658 216 V HN 0.926 nan 8.190 nan 0.000 0.455 217 K N -0.342 119.940 120.400 -0.196 0.000 2.432 217 K HA -0.118 4.203 4.320 0.002 0.000 0.196 217 K C 1.330 177.867 176.600 -0.106 0.000 1.038 217 K CA 0.847 57.077 56.287 -0.096 0.000 0.986 217 K CB -0.027 32.437 32.500 -0.059 0.000 0.782 217 K HN 0.444 nan 8.250 nan 0.000 0.485 218 D N -0.364 119.888 120.400 -0.247 0.000 2.333 218 D HA -0.024 4.618 4.640 0.002 0.000 0.208 218 D C 1.197 177.456 176.300 -0.068 0.000 0.984 218 D CA 0.538 54.434 54.000 -0.173 0.000 0.873 218 D CB 0.048 40.723 40.800 -0.209 0.000 0.935 218 D HN 0.189 nan 8.370 nan 0.000 0.521 219 F N 1.206 121.157 119.950 0.002 0.000 2.022 219 F HA -0.150 4.378 4.527 0.003 0.000 0.293 219 F C 2.576 178.480 175.800 0.174 0.000 1.142 219 F CA 0.953 58.962 58.000 0.016 0.000 1.177 219 F CB -0.924 38.041 39.000 -0.058 0.000 0.982 219 F HN -0.126 nan 8.300 nan 0.000 0.473 220 T N -0.056 114.700 114.554 0.338 0.000 2.751 220 T HA -0.267 4.085 4.350 0.002 0.000 0.268 220 T C 2.015 176.837 174.700 0.205 0.000 1.045 220 T CA 1.628 63.873 62.100 0.242 0.000 1.142 220 T CB -0.776 68.189 68.868 0.161 0.000 0.851 220 T HN 0.403 nan 8.240 nan 0.000 0.474 221 S N 2.400 118.210 115.700 0.184 0.000 2.368 221 S HA -0.053 4.418 4.470 0.002 0.000 0.224 221 S C 1.355 176.085 174.600 0.216 0.000 1.029 221 S CA 0.778 59.071 58.200 0.155 0.000 0.988 221 S CB -0.614 62.650 63.200 0.108 0.000 0.838 221 S HN 0.550 nan 8.310 nan 0.000 0.462 222 L N -0.305 121.116 121.223 0.330 0.000 3.108 222 L HA 0.763 5.105 4.340 0.002 0.000 0.251 222 L C 0.718 177.894 176.870 0.509 0.000 1.315 222 L CA -0.110 55.031 54.840 0.502 0.000 1.048 222 L CB -0.399 41.989 42.059 0.549 0.000 1.432 222 L HN 0.274 nan 8.230 nan 0.000 0.543 223 G N -0.758 108.202 108.800 0.267 0.000 2.422 223 G HA2 -0.267 3.695 3.960 0.002 0.000 0.290 223 G HA3 -0.267 3.695 3.960 0.002 0.000 0.290 223 G C -0.404 174.356 174.900 -0.232 0.000 1.059 223 G CA 0.193 45.294 45.100 0.003 0.000 1.242 223 G HN 0.306 nan 8.290 nan 0.000 0.520 224 F N -0.276 119.702 119.950 0.048 0.000 3.012 224 F HA 0.748 5.277 4.527 0.002 0.000 0.346 224 F C 0.390 176.215 175.800 0.043 0.000 1.239 224 F CA -0.956 57.040 58.000 -0.005 0.000 1.028 224 F CB 1.890 40.858 39.000 -0.054 0.000 1.497 224 F HN 0.245 nan 8.300 nan 0.000 0.521 225 N N -0.107 118.759 118.700 0.277 0.000 2.537 225 N HA 0.128 4.869 4.740 0.002 0.000 0.281 225 N C 0.049 175.621 175.510 0.104 0.000 1.097 225 N CA -0.249 52.926 53.050 0.208 0.000 0.964 225 N CB 1.562 40.216 38.487 0.279 0.000 1.588 225 N HN 0.668 nan 8.380 nan 0.000 0.511 226 E N 1.390 121.655 120.200 0.109 0.000 2.196 226 E HA -0.305 4.046 4.350 0.002 0.000 0.222 226 E C 0.635 177.222 176.600 -0.022 0.000 1.072 226 E CA 2.308 58.752 56.400 0.074 0.000 0.902 226 E CB 0.190 29.941 29.700 0.085 0.000 0.780 226 E HN 0.443 nan 8.360 nan 0.000 0.467 227 V N -1.122 118.750 119.914 -0.070 0.000 3.212 227 V HA 0.009 4.131 4.120 0.002 0.000 0.244 227 V C 1.610 177.709 176.094 0.009 0.000 1.151 227 V CA 0.581 62.827 62.300 -0.091 0.000 1.119 227 V CB -0.210 31.442 31.823 -0.286 0.000 0.838 227 V HN 0.233 nan 8.190 nan 0.000 0.470 228 F N 1.592 121.640 119.950 0.163 0.000 2.187 228 F HA 0.071 4.599 4.527 0.003 0.000 0.295 228 F C 1.231 177.189 175.800 0.263 0.000 1.091 228 F CA 0.976 59.058 58.000 0.138 0.000 1.308 228 F CB 0.182 39.220 39.000 0.063 0.000 1.030 228 F HN 0.256 nan 8.300 nan 0.000 0.487 229 S N -0.108 115.863 115.700 0.451 0.000 2.736 229 S HA 0.634 5.106 4.470 0.002 0.000 0.285 229 S C -0.884 173.762 174.600 0.075 0.000 1.163 229 S CA -0.883 57.559 58.200 0.404 0.000 1.025 229 S CB 1.999 65.356 63.200 0.261 0.000 1.030 229 S HN 0.132 nan 8.310 nan 0.000 0.486 230 R N 2.476 122.705 120.500 -0.452 0.000 2.561 230 R HA 0.457 4.798 4.340 0.002 0.000 0.297 230 R C -2.396 173.251 176.300 -1.088 0.000 0.969 230 R CA -2.429 52.857 56.100 -1.356 0.000 0.879 230 R CB 1.834 30.866 30.300 -2.112 0.000 1.178 230 R HN 0.324 nan 8.270 nan 0.000 0.445 231 P HA -0.232 nan 4.420 nan 0.000 0.222 231 P C 0.641 177.563 177.300 -0.630 0.000 1.142 231 P CA 1.132 63.641 63.100 -0.985 0.000 0.788 231 P CB 0.254 31.128 31.700 -1.375 0.000 0.767 232 E N -1.769 118.104 120.200 -0.544 0.000 2.427 232 E HA -0.141 4.210 4.350 0.002 0.000 0.196 232 E C 0.986 177.569 176.600 -0.029 0.000 1.028 232 E CA 0.806 57.068 56.400 -0.230 0.000 0.864 232 E CB -0.761 28.806 29.700 -0.221 0.000 0.813 232 E HN 0.363 nan 8.360 nan 0.000 0.514 233 W N 0.412 121.664 121.300 -0.079 0.000 2.872 233 W HA 0.312 4.973 4.660 0.003 0.000 0.266 233 W C 2.037 178.555 176.519 -0.003 0.000 1.276 233 W CA -0.546 56.794 57.345 -0.008 0.000 1.471 233 W CB -0.576 28.881 29.460 -0.004 0.000 1.071 233 W HN -0.008 nan 8.180 nan 0.000 0.619 234 M N 0.763 120.396 119.600 0.055 0.000 2.146 234 M HA -0.178 4.303 4.480 0.002 0.000 0.256 234 M C 0.673 177.080 176.300 0.177 0.000 1.075 234 M CA 1.632 56.899 55.300 -0.055 0.000 1.082 234 M CB -1.209 31.257 32.600 -0.224 0.000 1.355 234 M HN -0.133 nan 8.290 nan 0.000 0.402 235 I N -1.471 119.216 120.570 0.194 0.000 2.437 235 I HA 0.355 4.526 4.170 0.002 0.000 0.298 235 I C -0.542 175.710 176.117 0.226 0.000 0.984 235 I CA -0.667 60.769 61.300 0.227 0.000 1.214 235 I CB 0.774 38.846 38.000 0.120 0.000 1.365 235 I HN -0.092 nan 8.210 nan 0.000 0.469 236 L N 5.506 126.857 121.223 0.213 0.000 2.268 236 L HA 0.345 4.686 4.340 0.002 0.000 0.289 236 L C 0.771 177.712 176.870 0.118 0.000 1.064 236 L CA -0.030 54.931 54.840 0.201 0.000 0.824 236 L CB 0.828 43.006 42.059 0.198 0.000 1.202 236 L HN 0.882 nan 8.230 nan 0.000 0.433 237 T N -0.086 114.545 114.554 0.128 0.000 2.983 237 T HA -0.001 4.351 4.350 0.002 0.000 0.250 237 T C 0.329 175.073 174.700 0.073 0.000 1.037 237 T CA 0.193 62.348 62.100 0.092 0.000 1.142 237 T CB 0.247 69.183 68.868 0.114 0.000 0.876 237 T HN 0.552 nan 8.240 nan 0.000 0.455 238 C N 1.868 121.214 119.300 0.077 0.000 2.516 238 C HA 0.751 5.212 4.460 0.002 0.000 0.338 238 C C -1.210 173.802 174.990 0.037 0.000 1.132 238 C CA -1.431 57.623 59.018 0.060 0.000 1.310 238 C CB 0.013 27.794 27.740 0.067 0.000 1.898 238 C HN 0.514 nan 8.230 nan 0.000 0.452 239 L N 9.195 130.431 121.223 0.022 0.000 2.275 239 L HA 0.651 4.993 4.340 0.002 0.000 0.288 239 L C -2.041 174.821 176.870 -0.013 0.000 1.046 239 L CA -1.316 53.524 54.840 0.000 0.000 0.805 239 L CB 1.376 43.419 42.059 -0.026 0.000 1.193 239 L HN 0.517 nan 8.230 nan 0.000 0.426 240 P HA 0.080 nan 4.420 nan 0.000 0.276 240 P C -1.161 176.236 177.300 0.161 0.000 1.230 240 P CA -0.111 62.971 63.100 -0.030 0.000 0.776 240 P CB 1.150 32.654 31.700 -0.326 0.000 0.888 241 V N 5.642 125.696 119.914 0.233 0.000 2.313 241 V HA 0.249 4.371 4.120 0.002 0.000 0.278 241 V C -1.936 174.207 176.094 0.081 0.000 1.017 241 V CA -2.117 60.267 62.300 0.139 0.000 0.823 241 V CB 1.140 32.983 31.823 0.034 0.000 1.010 241 V HN 0.533 nan 8.190 nan 0.000 0.443 242 P HA 0.215 nan 4.420 nan 0.000 0.271 242 P C -2.482 174.623 177.300 -0.325 0.000 1.220 242 P CA -1.230 61.654 63.100 -0.361 0.000 0.768 242 P CB 0.335 31.993 31.700 -0.070 0.000 0.848 243 P HA 0.095 nan 4.420 nan 0.000 0.271 243 P C -1.957 175.235 177.300 -0.181 0.000 1.233 243 P CA -1.402 61.529 63.100 -0.282 0.000 0.789 243 P CB -0.570 30.926 31.700 -0.339 0.000 0.951 244 P HA -0.141 nan 4.420 nan 0.000 0.216 244 P C -1.228 176.021 177.300 -0.084 0.000 1.157 244 P CA 2.592 65.643 63.100 -0.080 0.000 0.880 244 P CB -1.950 29.713 31.700 -0.060 0.000 0.791 245 P HA -0.081 nan 4.420 nan 0.000 0.231 245 P C 0.907 178.158 177.300 -0.081 0.000 1.154 245 P CA 0.993 64.040 63.100 -0.089 0.000 0.762 245 P CB -0.382 31.256 31.700 -0.103 0.000 0.790 246 V N -0.844 119.014 119.914 -0.093 0.000 3.565 246 V HA 0.069 4.191 4.120 0.002 0.000 0.260 246 V C 1.048 177.111 176.094 -0.052 0.000 1.231 246 V CA 0.626 62.884 62.300 -0.071 0.000 1.100 246 V CB -0.562 31.210 31.823 -0.086 0.000 0.807 246 V HN 0.235 nan 8.190 nan 0.000 0.454 247 R N -0.785 119.685 120.500 -0.050 0.000 2.734 247 R HA 0.385 4.727 4.340 0.002 0.000 0.242 247 R C -3.113 173.166 176.300 -0.034 0.000 1.617 247 R CA -1.163 54.915 56.100 -0.037 0.000 1.572 247 R CB -0.037 30.253 30.300 -0.018 0.000 1.477 247 R HN 0.136 nan 8.270 nan 0.000 0.707 248 P HA 0.039 nan 4.420 nan 0.000 0.323 248 P C 0.093 177.376 177.300 -0.028 0.000 1.374 248 P CA 0.238 63.318 63.100 -0.033 0.000 0.798 248 P CB 0.481 32.160 31.700 -0.034 0.000 1.763 249 S N -1.777 113.907 115.700 -0.027 0.000 3.972 249 S HA 0.286 4.757 4.470 0.002 0.000 0.190 249 S C 0.536 175.119 174.600 -0.030 0.000 1.204 249 S CA -0.490 57.695 58.200 -0.024 0.000 1.285 249 S CB -0.678 62.511 63.200 -0.018 0.000 1.849 249 S HN 0.509 nan 8.310 nan 0.000 0.762 250 I N 2.714 123.265 120.570 -0.031 0.000 3.161 250 I HA 0.403 4.575 4.170 0.002 0.000 0.284 250 I C 0.544 176.642 176.117 -0.032 0.000 1.252 250 I CA 0.365 61.638 61.300 -0.044 0.000 1.374 250 I CB 0.208 38.178 38.000 -0.049 0.000 1.359 250 I HN 0.872 nan 8.210 nan 0.000 0.606 251 S N 3.892 119.562 115.700 -0.050 0.000 3.657 251 S HA 0.296 4.768 4.470 0.002 0.000 0.183 251 S C 0.877 175.512 174.600 0.060 0.000 0.995 251 S CA 0.179 58.391 58.200 0.020 0.000 1.333 251 S CB -0.317 62.928 63.200 0.075 0.000 1.197 251 S HN 0.815 nan 8.310 nan 0.000 0.856 252 F N 3.061 123.005 119.950 -0.010 0.000 2.727 252 F HA 0.465 4.993 4.527 0.002 0.000 0.302 252 F C 0.894 176.691 175.800 -0.006 0.000 1.097 252 F CA -0.524 57.471 58.000 -0.009 0.000 1.330 252 F CB -0.853 38.142 39.000 -0.009 0.000 1.084 252 F HN 0.327 nan 8.300 nan 0.000 0.578 253 N N 0.678 119.117 118.700 -0.435 0.000 2.024 253 N HA 0.035 4.776 4.740 0.002 0.000 0.207 253 N C -0.606 174.818 175.510 -0.143 0.000 1.076 253 N CA 0.305 53.136 53.050 -0.365 0.000 1.022 253 N CB -0.884 37.361 38.487 -0.403 0.000 1.266 253 N HN 0.294 nan 8.380 nan 0.000 0.508 254 E N -1.771 118.359 120.200 -0.118 0.000 7.423 254 E HA -0.141 4.210 4.350 0.002 0.000 0.390 254 E C -0.452 176.117 176.600 -0.051 0.000 0.628 254 E CA 0.340 56.701 56.400 -0.066 0.000 1.042 254 E CB -0.644 29.030 29.700 -0.043 0.000 0.940 254 E HN 0.493 nan 8.360 nan 0.000 0.271 255 S N 1.999 117.673 115.700 -0.044 0.000 2.425 255 S HA -0.080 4.391 4.470 0.002 0.000 0.225 255 S C 0.381 174.950 174.600 -0.052 0.000 1.024 255 S CA 0.792 58.966 58.200 -0.043 0.000 0.951 255 S CB 0.177 63.358 63.200 -0.032 0.000 0.796 255 S HN 0.367 nan 8.310 nan 0.000 0.498 256 Q N 1.161 120.926 119.800 -0.059 0.000 2.314 256 Q HA 0.512 4.854 4.340 0.002 0.000 0.259 256 Q C 0.819 176.765 176.000 -0.089 0.000 0.951 256 Q CA -0.375 55.393 55.803 -0.059 0.000 0.909 256 Q CB 0.967 29.678 28.738 -0.045 0.000 1.236 256 Q HN 0.242 nan 8.270 nan 0.000 0.444 257 R N 0.954 121.404 120.500 -0.084 0.000 2.068 257 R HA 0.093 4.435 4.340 0.002 0.000 0.115 257 R C 0.159 176.440 176.300 -0.032 0.000 0.829 257 R CA 0.569 56.640 56.100 -0.048 0.000 2.308 257 R CB -0.405 29.879 30.300 -0.028 0.000 1.371 257 R HN 0.603 nan 8.270 nan 0.000 0.490 258 G N 0.615 109.393 108.800 -0.037 0.000 2.535 258 G HA2 0.563 4.525 3.960 0.002 0.000 0.282 258 G HA3 0.563 4.525 3.960 0.002 0.000 0.282 258 G C -0.781 174.119 174.900 0.000 0.000 1.350 258 G CA -0.158 44.951 45.100 0.015 0.000 1.039 258 G HN 0.187 nan 8.290 nan 0.000 0.509 259 E N -1.874 118.330 120.200 0.006 0.000 2.442 259 E HA 0.150 4.501 4.350 0.002 0.000 0.278 259 E C -1.518 175.022 176.600 -0.101 0.000 1.082 259 E CA -0.772 55.628 56.400 -0.001 0.000 0.861 259 E CB 1.718 31.473 29.700 0.091 0.000 1.462 259 E HN 0.375 nan 8.360 nan 0.000 0.458 260 D N 0.549 120.895 120.400 -0.089 0.000 2.387 260 D HA 0.085 4.726 4.640 0.002 0.000 0.251 260 D C 0.127 176.288 176.300 -0.231 0.000 1.141 260 D CA -0.016 53.895 54.000 -0.147 0.000 0.987 260 D CB 0.949 41.702 40.800 -0.079 0.000 1.116 260 D HN 0.333 nan 8.370 nan 0.000 0.491 261 D N 0.376 120.636 120.400 -0.233 0.000 2.355 261 D HA 0.021 4.663 4.640 0.002 0.000 0.218 261 D C 1.633 177.893 176.300 -0.066 0.000 1.004 261 D CA 0.202 54.044 54.000 -0.263 0.000 0.880 261 D CB 0.380 41.054 40.800 -0.211 0.000 0.911 261 D HN 0.259 nan 8.370 nan 0.000 0.528 262 L N -0.226 120.993 121.223 -0.006 0.000 2.477 262 L HA -0.000 4.341 4.340 0.002 0.000 0.220 262 L C 2.020 178.972 176.870 0.138 0.000 1.106 262 L CA 0.502 55.396 54.840 0.090 0.000 0.851 262 L CB 0.184 42.288 42.059 0.075 0.000 0.994 262 L HN -0.071 nan 8.230 nan 0.000 0.462 263 T N -0.864 113.766 114.554 0.127 0.000 2.951 263 T HA -0.082 4.270 4.350 0.002 0.000 0.268 263 T C 1.618 176.474 174.700 0.260 0.000 1.073 263 T CA 1.027 63.225 62.100 0.164 0.000 1.134 263 T CB -0.194 68.770 68.868 0.161 0.000 0.884 263 T HN 0.175 nan 8.240 nan 0.000 0.479 264 F N 1.424 121.367 119.950 -0.012 0.000 2.113 264 F HA 0.024 4.552 4.527 0.003 0.000 0.297 264 F C 2.625 178.393 175.800 -0.053 0.000 1.103 264 F CA 0.627 58.610 58.000 -0.027 0.000 1.248 264 F CB -0.047 38.944 39.000 -0.015 0.000 0.999 264 F HN -0.004 nan 8.300 nan 0.000 0.475 265 K N 0.332 120.840 120.400 0.180 0.000 2.211 265 K HA -0.107 4.214 4.320 0.002 0.000 0.203 265 K C 1.881 178.445 176.600 -0.060 0.000 1.050 265 K CA 0.778 57.100 56.287 0.059 0.000 0.945 265 K CB -0.164 32.440 32.500 0.172 0.000 0.732 265 K HN 0.285 nan 8.250 nan 0.000 0.451 266 L N 0.210 121.410 121.223 -0.038 0.000 2.093 266 L HA -0.139 4.203 4.340 0.002 0.000 0.208 266 L C 2.424 179.217 176.870 -0.129 0.000 1.085 266 L CA 0.949 55.698 54.840 -0.150 0.000 0.755 266 L CB -0.357 41.640 42.059 -0.102 0.000 0.904 266 L HN 0.161 nan 8.230 nan 0.000 0.435 267 A N -0.552 122.216 122.820 -0.087 0.000 1.933 267 A HA -0.231 4.091 4.320 0.002 0.000 0.218 267 A C 1.961 179.455 177.584 -0.150 0.000 1.175 267 A CA 1.837 53.810 52.037 -0.106 0.000 0.628 267 A CB -0.456 18.475 19.000 -0.114 0.000 0.814 267 A HN 0.358 nan 8.150 nan 0.000 0.444 268 D N -0.327 119.942 120.400 -0.219 0.000 2.219 268 D HA -0.062 4.580 4.640 0.002 0.000 0.205 268 D C 1.834 177.903 176.300 -0.384 0.000 0.970 268 D CA 0.887 54.642 54.000 -0.408 0.000 0.851 268 D CB -0.085 40.290 40.800 -0.708 0.000 0.943 268 D HN 0.525 nan 8.370 nan 0.000 0.488 269 I N 0.474 120.898 120.570 -0.244 0.000 2.235 269 I HA -0.182 3.989 4.170 0.002 0.000 0.241 269 I C 2.541 178.613 176.117 -0.074 0.000 1.085 269 I CA 0.380 61.615 61.300 -0.107 0.000 1.378 269 I CB 0.007 37.905 38.000 -0.169 0.000 1.076 269 I HN -0.047 nan 8.210 nan 0.000 0.415 270 L N 0.791 121.952 121.223 -0.104 0.000 2.012 270 L HA -0.282 4.060 4.340 0.002 0.000 0.210 270 L C 2.574 179.406 176.870 -0.064 0.000 1.073 270 L CA 1.684 56.472 54.840 -0.087 0.000 0.748 270 L CB -0.283 41.723 42.059 -0.089 0.000 0.891 270 L HN 0.169 nan 8.230 nan 0.000 0.431 271 K N -0.721 119.644 120.400 -0.057 0.000 2.211 271 K HA -0.114 4.207 4.320 0.002 0.000 0.203 271 K C 1.587 178.188 176.600 0.001 0.000 1.050 271 K CA 1.091 57.358 56.287 -0.033 0.000 0.945 271 K CB 0.036 32.514 32.500 -0.036 0.000 0.732 271 K HN 0.394 nan 8.250 nan 0.000 0.451 272 A N -0.010 122.830 122.820 0.033 0.000 2.308 272 A HA 0.045 4.367 4.320 0.002 0.000 0.217 272 A C 1.376 178.983 177.584 0.037 0.000 1.216 272 A CA 0.350 52.430 52.037 0.071 0.000 0.864 272 A CB -0.101 19.009 19.000 0.183 0.000 0.902 272 A HN 0.273 nan 8.150 nan 0.000 0.499 273 N N -0.497 118.205 118.700 0.003 0.000 2.439 273 N HA 0.134 4.875 4.740 0.002 0.000 0.176 273 N C 1.267 176.758 175.510 -0.031 0.000 1.029 273 N CA 0.506 53.547 53.050 -0.015 0.000 0.886 273 N CB -0.091 38.375 38.487 -0.034 0.000 1.057 273 N HN 0.366 nan 8.380 nan 0.000 0.437 274 I N -0.294 120.246 120.570 -0.049 0.000 3.111 274 I HA -0.016 4.155 4.170 0.002 0.000 0.272 274 I C 1.603 177.698 176.117 -0.037 0.000 1.268 274 I CA 0.432 61.693 61.300 -0.064 0.000 1.467 274 I CB -0.014 37.924 38.000 -0.104 0.000 1.087 274 I HN 0.104 nan 8.210 nan 0.000 0.467 275 S N 0.204 115.893 115.700 -0.018 0.000 2.461 275 S HA 0.020 4.491 4.470 0.002 0.000 0.228 275 S C 1.480 176.079 174.600 -0.002 0.000 1.005 275 S CA 0.767 58.964 58.200 -0.005 0.000 0.942 275 S CB -0.002 63.203 63.200 0.009 0.000 0.776 275 S HN 0.374 nan 8.310 nan 0.000 0.514 276 L N 1.127 122.349 121.223 -0.001 0.000 2.700 276 L HA 0.388 4.730 4.340 0.002 0.000 0.234 276 L C 1.640 178.518 176.870 0.013 0.000 1.156 276 L CA 0.455 55.296 54.840 0.002 0.000 0.946 276 L CB 0.058 42.119 42.059 0.003 0.000 1.216 276 L HN 0.203 nan 8.230 nan 0.000 0.493 277 E N -1.342 118.865 120.200 0.011 0.000 2.216 277 E HA 0.014 4.366 4.350 0.002 0.000 0.192 277 E C 1.090 177.718 176.600 0.046 0.000 0.973 277 E CA 0.883 57.305 56.400 0.036 0.000 0.851 277 E CB 0.272 29.966 29.700 -0.010 0.000 0.804 277 E HN 0.308 nan 8.360 nan 0.000 0.477 278 T N 0.742 115.305 114.554 0.014 0.000 3.169 278 T HA 0.184 4.536 4.350 0.002 0.000 0.250 278 T C 1.286 175.989 174.700 0.006 0.000 1.111 278 T CA 0.305 62.413 62.100 0.012 0.000 1.010 278 T CB 0.272 69.138 68.868 -0.002 0.000 0.984 278 T HN 0.033 nan 8.240 nan 0.000 0.537 279 L N -0.314 120.910 121.223 0.000 0.000 2.966 279 L HA 0.382 4.724 4.340 0.002 0.000 0.262 279 L C 1.792 178.637 176.870 -0.042 0.000 1.165 279 L CA 0.333 55.162 54.840 -0.020 0.000 0.978 279 L CB 0.520 42.566 42.059 -0.021 0.000 1.337 279 L HN 0.169 nan 8.230 nan 0.000 0.563 280 E N -1.358 118.821 120.200 -0.036 0.000 2.367 280 E HA 0.093 4.445 4.350 0.002 0.000 0.204 280 E C 0.989 177.459 176.600 -0.215 0.000 0.840 280 E CA 0.019 56.349 56.400 -0.117 0.000 1.051 280 E CB 0.668 30.304 29.700 -0.106 0.000 1.051 280 E HN 0.380 nan 8.360 nan 0.000 0.509 281 H N 0.150 119.203 119.070 -0.028 0.000 2.520 281 H HA 0.278 4.836 4.556 0.003 0.000 0.284 281 H C -0.008 175.306 175.328 -0.023 0.000 1.037 281 H CA 0.077 56.111 56.048 -0.024 0.000 1.168 281 H CB 0.547 30.296 29.762 -0.023 0.000 1.497 281 H HN 0.027 nan 8.280 nan 0.000 0.547 282 N N -0.590 118.136 118.700 0.044 0.000 3.312 282 N HA 0.229 4.970 4.740 0.002 0.000 0.361 282 N C 0.393 175.896 175.510 -0.012 0.000 1.476 282 N CA -0.359 52.703 53.050 0.019 0.000 0.669 282 N CB -0.116 38.382 38.487 0.017 0.000 1.629 282 N HN 0.080 nan 8.380 nan 0.000 0.612 283 G N -0.482 108.311 108.800 -0.011 0.000 2.363 283 G HA2 0.397 4.358 3.960 0.002 0.000 0.285 283 G HA3 0.397 4.358 3.960 0.002 0.000 0.285 283 G C -0.569 174.308 174.900 -0.039 0.000 1.084 283 G CA -0.020 45.067 45.100 -0.021 0.000 1.216 283 G HN 0.540 nan 8.290 nan 0.000 0.429 284 A N 5.289 128.068 122.820 -0.068 0.000 2.341 284 A HA 0.676 4.998 4.320 0.002 0.000 0.326 284 A C -1.460 176.035 177.584 -0.148 0.000 1.402 284 A CA -1.193 50.781 52.037 -0.105 0.000 0.957 284 A CB 0.549 19.468 19.000 -0.136 0.000 1.151 284 A HN 0.589 nan 8.150 nan 0.000 0.533 285 P HA 0.225 nan 4.420 nan 0.000 0.274 285 P C 0.625 177.839 177.300 -0.144 0.000 1.264 285 P CA -0.244 62.812 63.100 -0.074 0.000 0.795 285 P CB 0.634 32.333 31.700 -0.002 0.000 1.064 286 H N -1.519 117.575 119.070 0.039 0.000 2.348 286 H HA 0.045 4.603 4.556 0.003 0.000 0.313 286 H C 0.550 175.939 175.328 0.102 0.000 1.051 286 H CA 1.015 57.100 56.048 0.062 0.000 1.420 286 H CB -0.204 29.598 29.762 0.066 0.000 1.484 286 H HN 0.427 nan 8.280 nan 0.000 0.609 287 H N 0.126 119.277 119.070 0.135 0.000 2.577 287 H HA 0.430 4.988 4.556 0.003 0.000 0.306 287 H C 0.148 175.503 175.328 0.045 0.000 1.109 287 H CA 0.287 56.380 56.048 0.075 0.000 1.063 287 H CB 0.023 29.820 29.762 0.059 0.000 1.535 287 H HN 0.344 nan 8.280 nan 0.000 0.532 288 A N -0.316 122.514 122.820 0.016 0.000 2.628 288 A HA 0.235 4.557 4.320 0.002 0.000 0.267 288 A C 1.340 178.903 177.584 -0.036 0.000 1.159 288 A CA -0.216 51.814 52.037 -0.012 0.000 0.972 288 A CB -0.064 18.948 19.000 0.021 0.000 1.211 288 A HN 0.409 nan 8.150 nan 0.000 0.576 289 I N -0.233 120.307 120.570 -0.051 0.000 2.480 289 I HA -0.108 4.063 4.170 0.002 0.000 0.251 289 I C 2.057 178.140 176.117 -0.056 0.000 1.124 289 I CA 0.978 62.250 61.300 -0.047 0.000 1.444 289 I CB -0.020 37.954 38.000 -0.043 0.000 1.098 289 I HN 0.334 nan 8.210 nan 0.000 0.428 290 E N 1.086 121.227 120.200 -0.099 0.000 2.204 290 E HA -0.222 4.130 4.350 0.002 0.000 0.195 290 E C 1.543 178.100 176.600 -0.071 0.000 0.990 290 E CA 0.917 57.259 56.400 -0.097 0.000 0.821 290 E CB -0.088 29.505 29.700 -0.178 0.000 0.750 290 E HN 0.489 nan 8.360 nan 0.000 0.477 291 E N -0.195 119.960 120.200 -0.074 0.000 2.515 291 E HA -0.049 4.302 4.350 0.002 0.000 0.201 291 E C 1.214 177.793 176.600 -0.035 0.000 1.071 291 E CA 0.533 56.903 56.400 -0.050 0.000 0.880 291 E CB 0.218 29.894 29.700 -0.040 0.000 0.828 291 E HN 0.253 nan 8.360 nan 0.000 0.540 292 A N 0.057 122.862 122.820 -0.026 0.000 2.427 292 A HA 0.108 4.429 4.320 0.002 0.000 0.225 292 A C 1.582 179.169 177.584 0.005 0.000 1.257 292 A CA -0.269 51.762 52.037 -0.009 0.000 0.985 292 A CB 0.442 19.438 19.000 -0.006 0.000 1.136 292 A HN 0.006 nan 8.150 nan 0.000 0.538 293 E N 0.651 120.852 120.200 0.001 0.000 2.112 293 E HA -0.103 4.248 4.350 0.002 0.000 0.190 293 E C 2.036 178.663 176.600 0.044 0.000 0.979 293 E CA 1.256 57.669 56.400 0.021 0.000 0.814 293 E CB -0.041 29.668 29.700 0.015 0.000 0.762 293 E HN 0.677 nan 8.360 nan 0.000 0.460 294 S N 0.264 115.981 115.700 0.029 0.000 2.515 294 S HA -0.052 4.419 4.470 0.002 0.000 0.231 294 S C 1.730 176.352 174.600 0.037 0.000 0.987 294 S CA 0.478 58.703 58.200 0.042 0.000 0.936 294 S CB 0.073 63.276 63.200 0.005 0.000 0.766 294 S HN 0.039 nan 8.310 nan 0.000 0.528 295 L N -0.094 121.136 121.223 0.012 0.000 2.470 295 L HA 0.478 4.819 4.340 0.002 0.000 0.219 295 L C 1.955 178.851 176.870 0.044 0.000 1.071 295 L CA 0.561 55.392 54.840 -0.014 0.000 0.850 295 L CB -0.407 41.611 42.059 -0.068 0.000 1.040 295 L HN 0.347 nan 8.230 nan 0.000 0.475 296 L N -0.523 120.748 121.223 0.080 0.000 2.156 296 L HA -0.147 4.195 4.340 0.002 0.000 0.208 296 L C 2.475 179.415 176.870 0.117 0.000 1.095 296 L CA 1.551 56.457 54.840 0.110 0.000 0.770 296 L CB -0.398 41.705 42.059 0.073 0.000 0.914 296 L HN 0.409 nan 8.230 nan 0.000 0.439 297 Q N -0.571 119.303 119.800 0.123 0.000 2.020 297 Q HA -0.300 4.042 4.340 0.002 0.000 0.202 297 Q C 2.123 178.223 176.000 0.166 0.000 0.982 297 Q CA 2.514 58.409 55.803 0.154 0.000 0.838 297 Q CB -0.905 27.948 28.738 0.192 0.000 0.899 297 Q HN 0.496 nan 8.270 nan 0.000 0.423 298 F N 0.232 120.183 119.950 0.002 0.000 2.216 298 F HA -0.146 4.383 4.527 0.003 0.000 0.300 298 F C 1.683 177.485 175.800 0.003 0.000 1.085 298 F CA 2.103 60.082 58.000 -0.036 0.000 1.326 298 F CB -0.204 38.716 39.000 -0.134 0.000 1.027 298 F HN 0.291 nan 8.300 nan 0.000 0.497 299 H N -1.760 117.338 119.070 0.048 0.000 2.403 299 H HA -0.024 4.533 4.556 0.003 0.000 0.298 299 H C 2.151 177.451 175.328 -0.046 0.000 1.059 299 H CA 1.157 57.177 56.048 -0.045 0.000 1.363 299 H CB 0.076 29.862 29.762 0.040 0.000 1.410 299 H HN 0.123 nan 8.280 nan 0.000 0.528 300 V N 0.561 120.539 119.914 0.106 0.000 3.041 300 V HA -0.111 4.010 4.120 0.002 0.000 0.260 300 V C 2.294 178.437 176.094 0.081 0.000 1.105 300 V CA 1.206 63.552 62.300 0.078 0.000 1.125 300 V CB -0.391 31.459 31.823 0.044 0.000 0.730 300 V HN 0.489 nan 8.190 nan 0.000 0.479 301 A N -0.462 122.366 122.820 0.013 0.000 1.878 301 A HA -0.141 4.181 4.320 0.002 0.000 0.213 301 A C 2.408 179.933 177.584 -0.099 0.000 1.192 301 A CA 2.002 54.014 52.037 -0.041 0.000 0.619 301 A CB -0.754 18.224 19.000 -0.035 0.000 0.837 301 A HN 0.385 nan 8.150 nan 0.000 0.446 302 T N -1.784 112.641 114.554 -0.214 0.000 2.904 302 T HA -0.137 4.214 4.350 0.002 0.000 0.267 302 T C 1.607 176.278 174.700 -0.049 0.000 1.059 302 T CA 1.478 63.443 62.100 -0.224 0.000 1.137 302 T CB -0.393 68.199 68.868 -0.461 0.000 0.879 302 T HN 0.586 nan 8.240 nan 0.000 0.467 303 Y N 0.129 120.371 120.300 -0.098 0.000 2.616 303 Y HA 0.239 4.790 4.550 0.002 0.000 0.296 303 Y C 1.661 177.535 175.900 -0.043 0.000 1.154 303 Y CA 0.898 58.966 58.100 -0.053 0.000 1.325 303 Y CB -0.124 38.315 38.460 -0.034 0.000 1.007 303 Y HN 0.200 nan 8.280 nan 0.000 0.542 304 M N -0.359 119.160 119.600 -0.135 0.000 2.306 304 M HA 0.200 4.682 4.480 0.002 0.000 0.292 304 M C -1.050 175.196 176.300 -0.090 0.000 1.018 304 M CA 0.164 55.353 55.300 -0.185 0.000 1.007 304 M CB 0.897 33.439 32.600 -0.097 0.000 1.510 304 M HN 0.117 nan 8.290 nan 0.000 0.537 305 D N 0.817 121.167 120.400 -0.084 0.000 2.820 305 D HA 0.074 4.716 4.640 0.002 0.000 0.244 305 D C -2.019 174.240 176.300 -0.067 0.000 1.106 305 D CA -0.286 53.681 54.000 -0.056 0.000 0.741 305 D CB 0.809 41.595 40.800 -0.023 0.000 2.042 305 D HN 0.198 nan 8.370 nan 0.000 0.459 306 N N 2.165 120.834 118.700 -0.051 0.000 2.732 306 N HA 0.258 5.000 4.740 0.002 0.000 0.235 306 N C -1.184 174.317 175.510 -0.014 0.000 1.466 306 N CA -0.434 52.592 53.050 -0.041 0.000 0.751 306 N CB 0.806 39.262 38.487 -0.052 0.000 1.317 306 N HN 0.292 nan 8.380 nan 0.000 0.525 307 D N 0.675 121.069 120.400 -0.010 0.000 2.539 307 D HA 0.217 4.859 4.640 0.002 0.000 0.232 307 D C -0.127 176.176 176.300 0.005 0.000 1.256 307 D CA 0.008 54.006 54.000 -0.003 0.000 0.810 307 D CB 1.404 42.197 40.800 -0.011 0.000 1.090 307 D HN 0.409 nan 8.370 nan 0.000 0.519 308 I N 1.362 121.938 120.570 0.011 0.000 2.395 308 I HA 0.300 4.472 4.170 0.002 0.000 0.289 308 I C 0.897 177.032 176.117 0.030 0.000 1.023 308 I CA -0.852 60.458 61.300 0.016 0.000 1.350 308 I CB 0.964 38.973 38.000 0.015 0.000 1.409 308 I HN -0.182 nan 8.210 nan 0.000 0.507 309 A N 4.536 127.371 122.820 0.025 0.000 2.567 309 A HA 0.514 4.836 4.320 0.002 0.000 0.240 309 A C 1.072 178.679 177.584 0.038 0.000 1.053 309 A CA 0.892 52.946 52.037 0.028 0.000 0.755 309 A CB -0.643 18.369 19.000 0.020 0.000 0.978 309 A HN 1.224 nan 8.150 nan 0.000 0.507 310 G N 1.512 110.338 108.800 0.043 0.000 1.838 310 G HA2 0.113 4.074 3.960 0.002 0.000 0.067 310 G HA3 0.113 4.074 3.960 0.002 0.000 0.067 310 G C -0.413 174.522 174.900 0.058 0.000 1.666 310 G CA -0.042 45.088 45.100 0.049 0.000 1.135 310 G HN 0.875 nan 8.290 nan 0.000 0.333 311 Q N 1.108 120.971 119.800 0.105 0.000 2.285 311 Q HA 0.507 4.848 4.340 0.002 0.000 0.269 311 Q C -2.043 174.072 176.000 0.193 0.000 1.030 311 Q CA -1.710 54.169 55.803 0.127 0.000 0.788 311 Q CB 3.201 31.993 28.738 0.089 0.000 1.266 311 Q HN 0.343 nan 8.270 nan 0.000 0.438 312 P HA 0.068 nan 4.420 nan 0.000 0.199 312 P C -0.637 176.758 177.300 0.158 0.000 1.059 312 P CA 0.246 63.417 63.100 0.118 0.000 0.723 312 P CB 0.399 32.143 31.700 0.074 0.000 0.680 313 Q N -3.257 116.623 119.800 0.133 0.000 2.756 313 Q HA 0.677 5.018 4.340 0.002 0.000 0.295 313 Q C -1.595 174.479 176.000 0.124 0.000 0.903 313 Q CA -0.529 55.366 55.803 0.153 0.000 0.768 313 Q CB 1.163 29.970 28.738 0.115 0.000 1.472 313 Q HN 0.321 nan 8.270 nan 0.000 0.416 314 A N 0.877 123.781 122.820 0.141 0.000 3.521 314 A HA 0.666 4.987 4.320 0.002 0.000 0.181 314 A C -0.170 177.486 177.584 0.121 0.000 1.386 314 A CA -0.315 51.791 52.037 0.116 0.000 0.873 314 A CB -0.306 18.763 19.000 0.115 0.000 1.634 314 A HN 0.575 nan 8.150 nan 0.000 0.551 315 L N -1.078 120.220 121.223 0.125 0.000 1.890 315 L HA 0.013 4.355 4.340 0.002 0.000 0.219 315 L C 2.334 179.338 176.870 0.225 0.000 1.104 315 L CA 2.457 57.382 54.840 0.142 0.000 0.792 315 L CB -1.508 40.633 42.059 0.138 0.000 0.887 315 L HN 0.904 nan 8.230 nan 0.000 0.432 316 Q N -1.529 118.495 119.800 0.373 0.000 2.280 316 Q HA 0.090 4.431 4.340 0.002 0.000 0.228 316 Q C 0.729 176.845 176.000 0.193 0.000 0.857 316 Q CA 0.537 56.465 55.803 0.207 0.000 0.939 316 Q CB 0.568 29.362 28.738 0.094 0.000 1.114 316 Q HN 0.288 nan 8.270 nan 0.000 0.514 317 K N -0.553 120.106 120.400 0.432 0.000 2.792 317 K HA 0.252 4.573 4.320 0.002 0.000 0.207 317 K C -0.239 176.523 176.600 0.270 0.000 1.103 317 K CA 0.349 56.830 56.287 0.325 0.000 1.048 317 K CB 1.248 33.901 32.500 0.256 0.000 0.777 317 K HN 0.178 nan 8.250 nan 0.000 0.468 318 S N -1.902 113.909 115.700 0.185 0.000 4.002 318 S HA 0.519 4.991 4.470 0.002 0.000 0.167 318 S C 0.904 175.535 174.600 0.051 0.000 0.914 318 S CA 0.081 58.321 58.200 0.067 0.000 1.110 318 S CB 0.784 63.959 63.200 -0.041 0.000 1.714 318 S HN 0.231 nan 8.310 nan 0.000 0.858 319 G N 0.886 109.708 108.800 0.037 0.000 3.321 319 G HA2 0.674 4.635 3.960 0.002 0.000 0.169 319 G HA3 0.674 4.635 3.960 0.002 0.000 0.169 319 G C -1.765 173.157 174.900 0.036 0.000 1.153 319 G CA -0.778 44.341 45.100 0.032 0.000 1.007 319 G HN 0.530 nan 8.290 nan 0.000 0.668 320 R N 0.502 121.017 120.500 0.024 0.000 2.584 320 R HA 0.593 4.935 4.340 0.002 0.000 0.276 320 R C -2.145 174.164 176.300 0.014 0.000 1.046 320 R CA -0.982 55.134 56.100 0.028 0.000 0.906 320 R CB 1.816 32.135 30.300 0.031 0.000 1.215 320 R HN 0.484 nan 8.270 nan 0.000 0.449 321 P HA 0.424 nan 4.420 nan 0.000 0.299 321 P C -0.622 176.689 177.300 0.020 0.000 1.363 321 P CA -0.268 62.849 63.100 0.029 0.000 0.837 321 P CB 0.200 31.917 31.700 0.027 0.000 2.115 322 V N -4.037 115.885 119.914 0.013 0.000 3.074 322 V HA 0.545 4.667 4.120 0.002 0.000 0.314 322 V C 0.850 176.929 176.094 -0.026 0.000 1.117 322 V CA -0.931 61.368 62.300 -0.002 0.000 1.014 322 V CB 2.083 33.920 31.823 0.023 0.000 1.057 322 V HN 0.099 nan 8.190 nan 0.000 0.438 323 K N 1.546 121.920 120.400 -0.043 0.000 1.984 323 K HA 0.141 4.462 4.320 0.002 0.000 0.219 323 K C 0.731 177.289 176.600 -0.069 0.000 1.033 323 K CA 1.874 58.126 56.287 -0.058 0.000 0.983 323 K CB -0.560 31.899 32.500 -0.070 0.000 0.762 323 K HN 1.850 nan 8.250 nan 0.000 0.445 324 S N -0.695 114.949 115.700 -0.093 0.000 2.815 324 S HA -0.081 4.391 4.470 0.002 0.000 0.857 324 S C 0.896 175.391 174.600 -0.175 0.000 0.862 324 S CA 0.350 58.460 58.200 -0.150 0.000 1.494 324 S CB -1.796 61.335 63.200 -0.116 0.000 1.073 324 S HN 0.320 nan 8.310 nan 0.000 0.247 325 I N 2.870 123.278 120.570 -0.269 0.000 2.227 325 I HA -0.322 3.850 4.170 0.002 0.000 0.250 325 I C 2.788 178.810 176.117 -0.157 0.000 1.087 325 I CA 2.241 63.409 61.300 -0.219 0.000 1.352 325 I CB -0.587 37.243 38.000 -0.282 0.000 1.043 325 I HN 0.808 nan 8.210 nan 0.000 0.425 326 R N 1.621 122.038 120.500 -0.138 0.000 2.070 326 R HA -0.146 4.196 4.340 0.002 0.000 0.233 326 R C 2.147 178.386 176.300 -0.103 0.000 1.137 326 R CA 1.813 57.846 56.100 -0.111 0.000 0.945 326 R CB -0.269 30.001 30.300 -0.050 0.000 0.845 326 R HN 0.375 nan 8.270 nan 0.000 0.430 327 A N 0.662 123.429 122.820 -0.088 0.000 2.252 327 A HA 0.028 4.349 4.320 0.002 0.000 0.207 327 A C 1.780 179.318 177.584 -0.078 0.000 1.194 327 A CA 0.238 52.229 52.037 -0.076 0.000 0.809 327 A CB -0.270 18.692 19.000 -0.064 0.000 0.814 327 A HN 0.310 nan 8.150 nan 0.000 0.482 328 R N -0.853 119.594 120.500 -0.088 0.000 2.173 328 R HA 0.186 4.528 4.340 0.002 0.000 0.208 328 R C 1.080 177.334 176.300 -0.078 0.000 1.035 328 R CA 0.726 56.778 56.100 -0.079 0.000 1.004 328 R CB -0.036 30.215 30.300 -0.082 0.000 0.917 328 R HN 0.528 nan 8.270 nan 0.000 0.462 329 L N 0.059 121.227 121.223 -0.092 0.000 2.590 329 L HA 0.175 4.517 4.340 0.002 0.000 0.227 329 L C 0.871 177.685 176.870 -0.093 0.000 1.099 329 L CA -0.051 54.732 54.840 -0.095 0.000 0.872 329 L CB 0.010 41.994 42.059 -0.124 0.000 1.088 329 L HN -0.030 nan 8.230 nan 0.000 0.479 330 K N 2.150 122.495 120.400 -0.091 0.000 2.451 330 K HA 0.142 4.464 4.320 0.002 0.000 0.280 330 K C 0.466 177.019 176.600 -0.079 0.000 1.020 330 K CA -0.020 56.214 56.287 -0.087 0.000 1.008 330 K CB 0.897 33.349 32.500 -0.081 0.000 0.917 330 K HN 0.072 nan 8.250 nan 0.000 0.478 331 G N 2.914 111.664 108.800 -0.083 0.000 2.562 331 G HA2 0.000 3.962 3.960 0.002 0.000 0.233 331 G HA3 0.000 3.962 3.960 0.002 0.000 0.233 331 G C -0.652 174.204 174.900 -0.074 0.000 1.266 331 G CA 0.020 45.073 45.100 -0.077 0.000 0.852 331 G HN 0.835 nan 8.290 nan 0.000 0.581 332 K N 0.553 120.917 120.400 -0.060 0.000 7.076 332 K HA -0.203 4.119 4.320 0.002 0.000 0.747 332 K C 0.917 177.487 176.600 -0.050 0.000 2.505 332 K CA 1.133 57.388 56.287 -0.054 0.000 1.814 332 K CB -0.388 32.072 32.500 -0.066 0.000 2.142 332 K HN 0.926 nan 8.250 nan 0.000 0.274 333 E N -1.768 118.407 120.200 -0.041 0.000 3.812 333 E HA -0.247 4.105 4.350 0.002 0.000 0.321 333 E C 0.734 177.309 176.600 -0.041 0.000 0.674 333 E CA 2.008 58.385 56.400 -0.039 0.000 1.113 333 E CB -1.768 27.908 29.700 -0.041 0.000 1.602 333 E HN 0.811 nan 8.360 nan 0.000 0.440 334 G N 0.163 108.936 108.800 -0.046 0.000 2.562 334 G HA2 0.273 4.235 3.960 0.002 0.000 0.275 334 G HA3 0.273 4.235 3.960 0.002 0.000 0.275 334 G C 0.697 175.572 174.900 -0.042 0.000 1.196 334 G CA 0.240 45.310 45.100 -0.050 0.000 0.908 334 G HN 0.073 nan 8.290 nan 0.000 0.524 335 R N 0.053 120.526 120.500 -0.045 0.000 2.127 335 R HA -0.022 4.319 4.340 0.002 0.000 0.238 335 R C 2.093 178.376 176.300 -0.029 0.000 1.134 335 R CA 1.365 57.443 56.100 -0.036 0.000 0.975 335 R CB -0.275 30.002 30.300 -0.038 0.000 0.865 335 R HN 0.642 nan 8.270 nan 0.000 0.447 336 I N -1.152 119.397 120.570 -0.034 0.000 2.594 336 I HA -0.052 4.120 4.170 0.002 0.000 0.237 336 I C 2.328 178.436 176.117 -0.015 0.000 1.071 336 I CA 0.282 61.568 61.300 -0.023 0.000 1.427 336 I CB -0.279 37.703 38.000 -0.029 0.000 1.218 336 I HN 0.004 nan 8.210 nan 0.000 0.444 337 R N 0.976 121.464 120.500 -0.020 0.000 2.328 337 R HA -0.059 4.282 4.340 0.002 0.000 0.207 337 R C 1.309 177.602 176.300 -0.012 0.000 1.056 337 R CA 1.244 57.337 56.100 -0.011 0.000 1.016 337 R CB -0.032 30.255 30.300 -0.022 0.000 0.872 337 R HN 0.529 nan 8.270 nan 0.000 0.471 338 G N -1.726 107.064 108.800 -0.017 0.000 3.215 338 G HA2 0.014 3.975 3.960 0.002 0.000 0.236 338 G HA3 0.014 3.975 3.960 0.002 0.000 0.236 338 G C 0.699 175.591 174.900 -0.014 0.000 1.029 338 G CA -0.274 44.816 45.100 -0.017 0.000 0.909 338 G HN 0.168 nan 8.290 nan 0.000 0.543 339 N N -0.227 118.465 118.700 -0.013 0.000 2.143 339 N HA 0.320 5.061 4.740 0.002 0.000 0.222 339 N C 1.197 176.704 175.510 -0.006 0.000 1.264 339 N CA 0.043 53.086 53.050 -0.011 0.000 0.897 339 N CB 1.250 39.728 38.487 -0.015 0.000 1.092 339 N HN 0.230 nan 8.380 nan 0.000 0.516 340 L N -0.386 120.835 121.223 -0.003 0.000 2.691 340 L HA 0.239 4.580 4.340 0.002 0.000 0.185 340 L C 1.673 178.545 176.870 0.004 0.000 1.081 340 L CA 0.070 54.911 54.840 0.001 0.000 0.865 340 L CB -0.092 41.968 42.059 0.002 0.000 1.370 340 L HN -0.086 nan 8.230 nan 0.000 0.488 341 M N 0.148 119.752 119.600 0.006 0.000 2.213 341 M HA 0.063 4.545 4.480 0.002 0.000 0.263 341 M C 0.939 177.242 176.300 0.005 0.000 1.062 341 M CA 0.867 56.172 55.300 0.009 0.000 1.105 341 M CB -1.147 31.464 32.600 0.018 0.000 1.385 341 M HN 0.210 nan 8.290 nan 0.000 0.417 342 G N 1.266 110.068 108.800 0.003 0.000 2.883 342 G HA2 0.473 4.435 3.960 0.002 0.000 0.285 342 G HA3 0.473 4.435 3.960 0.002 0.000 0.285 342 G C -0.797 174.107 174.900 0.005 0.000 1.526 342 G CA -0.649 44.454 45.100 0.004 0.000 1.062 342 G HN 0.158 nan 8.290 nan 0.000 0.550 343 K N 1.579 121.984 120.400 0.010 0.000 2.110 343 K HA 0.428 4.749 4.320 0.002 0.000 0.263 343 K C 0.230 176.844 176.600 0.023 0.000 0.975 343 K CA -0.840 55.454 56.287 0.012 0.000 0.895 343 K CB 2.278 34.786 32.500 0.013 0.000 1.060 343 K HN 0.398 nan 8.250 nan 0.000 0.448 344 R N 1.744 122.254 120.500 0.016 0.000 2.442 344 R HA 0.138 4.480 4.340 0.002 0.000 0.291 344 R C -0.297 176.017 176.300 0.024 0.000 1.069 344 R CA -0.227 55.886 56.100 0.021 0.000 1.022 344 R CB 0.419 30.721 30.300 0.003 0.000 0.976 344 R HN 0.533 nan 8.270 nan 0.000 0.443 345 V N -0.126 119.815 119.914 0.045 0.000 3.141 345 V HA 0.507 4.629 4.120 0.002 0.000 0.312 345 V C -0.583 175.516 176.094 0.009 0.000 1.157 345 V CA -1.161 61.167 62.300 0.047 0.000 1.041 345 V CB 2.129 34.021 31.823 0.115 0.000 1.071 345 V HN 0.618 nan 8.190 nan 0.000 0.441 346 D N 0.259 120.630 120.400 -0.047 0.000 2.414 346 D HA 0.427 5.068 4.640 0.002 0.000 0.251 346 D C 0.079 176.327 176.300 -0.087 0.000 1.252 346 D CA 0.253 54.105 54.000 -0.246 0.000 0.999 346 D CB 0.134 40.562 40.800 -0.621 0.000 1.093 346 D HN 0.759 nan 8.370 nan 0.000 0.515 347 F N -0.816 119.160 119.950 0.044 0.000 2.891 347 F HA -0.256 4.272 4.527 0.001 0.000 0.272 347 F C 0.434 176.253 175.800 0.032 0.000 1.004 347 F CA -0.026 58.009 58.000 0.058 0.000 0.938 347 F CB -1.824 37.227 39.000 0.084 0.000 0.939 347 F HN 0.152 nan 8.300 nan 0.000 0.833 348 S N -0.714 115.041 115.700 0.091 0.000 2.697 348 S HA 1.025 5.497 4.470 0.002 0.000 0.289 348 S C -0.450 174.157 174.600 0.011 0.000 1.149 348 S CA -0.466 57.705 58.200 -0.048 0.000 0.850 348 S CB 2.691 65.791 63.200 -0.166 0.000 1.151 348 S HN 1.407 nan 8.310 nan 0.000 0.491 349 A N 0.229 123.053 122.820 0.006 0.000 2.597 349 A HA 0.871 5.193 4.320 0.002 0.000 0.292 349 A C -1.156 176.533 177.584 0.175 0.000 1.057 349 A CA -0.794 51.314 52.037 0.118 0.000 0.674 349 A CB 1.435 20.585 19.000 0.251 0.000 1.278 349 A HN 1.031 nan 8.150 nan 0.000 0.416 350 R N 0.565 121.174 120.500 0.181 0.000 2.522 350 R HA 0.671 5.012 4.340 0.002 0.000 0.273 350 R C -1.579 174.797 176.300 0.126 0.000 1.133 350 R CA 0.015 56.242 56.100 0.211 0.000 0.969 350 R CB 2.015 32.362 30.300 0.080 0.000 1.235 350 R HN 0.919 nan 8.270 nan 0.000 0.433 351 T N 1.531 116.214 114.554 0.215 0.000 2.769 351 T HA 0.227 4.579 4.350 0.002 0.000 0.306 351 T C -1.016 173.782 174.700 0.163 0.000 1.400 351 T CA -0.542 61.583 62.100 0.041 0.000 1.007 351 T CB 1.670 70.379 68.868 -0.264 0.000 1.392 351 T HN 0.253 nan 8.240 nan 0.000 0.500 352 V N 2.750 122.714 119.914 0.084 0.000 2.617 352 V HA 0.120 4.242 4.120 0.002 0.000 0.304 352 V C 0.564 176.776 176.094 0.196 0.000 1.040 352 V CA 0.271 62.641 62.300 0.117 0.000 1.149 352 V CB -0.706 31.159 31.823 0.070 0.000 0.914 352 V HN 0.628 nan 8.190 nan 0.000 0.487 353 I N 3.407 124.125 120.570 0.246 0.000 2.677 353 I HA 0.856 5.027 4.170 0.002 0.000 0.305 353 I C 0.191 176.502 176.117 0.324 0.000 0.988 353 I CA -0.051 61.442 61.300 0.322 0.000 1.260 353 I CB 1.855 40.078 38.000 0.371 0.000 1.410 353 I HN 0.655 nan 8.210 nan 0.000 0.523 354 S N 1.984 117.768 115.700 0.141 0.000 2.537 354 S HA 0.759 5.230 4.470 0.002 0.000 0.270 354 S C -0.482 173.651 174.600 -0.779 0.000 1.142 354 S CA -0.626 57.375 58.200 -0.332 0.000 0.870 354 S CB 1.046 64.131 63.200 -0.193 0.000 1.112 354 S HN 1.163 nan 8.310 nan 0.000 0.466 355 G N 0.068 107.916 108.800 -1.586 0.000 2.389 355 G HA2 0.582 4.544 3.960 0.002 0.000 0.317 355 G HA3 0.582 4.544 3.960 0.002 0.000 0.317 355 G C -1.387 173.252 174.900 -0.435 0.000 1.137 355 G CA -0.355 44.133 45.100 -1.019 0.000 0.870 355 G HN 0.683 nan 8.290 nan 0.000 0.496 356 D N 2.057 122.333 120.400 -0.206 0.000 2.346 356 D HA 0.264 4.906 4.640 0.002 0.000 0.255 356 D C -1.520 174.745 176.300 -0.058 0.000 1.276 356 D CA -1.599 52.325 54.000 -0.126 0.000 0.941 356 D CB 2.286 43.027 40.800 -0.099 0.000 1.199 356 D HN 0.071 nan 8.370 nan 0.000 0.537 357 P HA -0.119 nan 4.420 nan 0.000 0.219 357 P C 0.505 177.801 177.300 -0.006 0.000 1.144 357 P CA 0.839 63.925 63.100 -0.024 0.000 0.806 357 P CB 0.495 32.169 31.700 -0.045 0.000 0.771 358 N N -0.897 117.805 118.700 0.003 0.000 2.238 358 N HA 0.175 4.916 4.740 0.002 0.000 0.222 358 N C 0.489 176.025 175.510 0.043 0.000 1.133 358 N CA 0.042 53.119 53.050 0.045 0.000 0.854 358 N CB 0.479 39.014 38.487 0.080 0.000 1.041 358 N HN 0.254 nan 8.380 nan 0.000 0.510 359 L N 0.373 121.610 121.223 0.023 0.000 2.387 359 L HA 0.335 4.677 4.340 0.002 0.000 0.266 359 L C 0.789 177.681 176.870 0.036 0.000 1.059 359 L CA -0.730 54.124 54.840 0.023 0.000 0.801 359 L CB 1.140 43.202 42.059 0.005 0.000 1.223 359 L HN -0.118 nan 8.230 nan 0.000 0.456 360 E N 0.445 120.666 120.200 0.035 0.000 2.318 360 E HA 0.085 4.436 4.350 0.002 0.000 0.265 360 E C 0.585 177.202 176.600 0.029 0.000 1.069 360 E CA -0.431 55.993 56.400 0.040 0.000 0.893 360 E CB 1.558 31.280 29.700 0.037 0.000 1.076 360 E HN 0.372 nan 8.360 nan 0.000 0.414 361 L N 2.182 123.411 121.223 0.011 0.000 1.989 361 L HA -0.198 4.144 4.340 0.002 0.000 0.211 361 L C 1.390 178.243 176.870 -0.029 0.000 1.071 361 L CA 2.173 56.980 54.840 -0.055 0.000 0.749 361 L CB -0.388 41.570 42.059 -0.168 0.000 0.890 361 L HN 0.551 nan 8.230 nan 0.000 0.431 362 D N -1.192 119.182 120.400 -0.043 0.000 2.344 362 D HA -0.044 4.597 4.640 0.002 0.000 0.242 362 D C 0.423 176.743 176.300 0.033 0.000 1.159 362 D CA 0.024 53.971 54.000 -0.089 0.000 0.859 362 D CB -0.129 40.605 40.800 -0.111 0.000 0.925 362 D HN 0.513 nan 8.370 nan 0.000 0.510 363 Q N -0.579 119.291 119.800 0.116 0.000 2.286 363 Q HA 0.616 4.958 4.340 0.002 0.000 0.250 363 Q C -1.091 174.951 176.000 0.070 0.000 1.021 363 Q CA -1.184 54.678 55.803 0.097 0.000 0.930 363 Q CB 2.938 31.694 28.738 0.031 0.000 1.266 363 Q HN 0.018 nan 8.270 nan 0.000 0.491 364 V N 0.175 120.021 119.914 -0.113 0.000 2.716 364 V HA 0.338 4.459 4.120 0.002 0.000 0.284 364 V C -0.845 175.140 176.094 -0.183 0.000 1.129 364 V CA -0.364 61.721 62.300 -0.359 0.000 0.926 364 V CB 1.401 32.710 31.823 -0.858 0.000 1.051 364 V HN 0.841 nan 8.190 nan 0.000 0.458 365 G N 5.881 114.624 108.800 -0.094 0.000 2.363 365 G HA2 0.370 4.331 3.960 0.002 0.000 0.285 365 G HA3 0.370 4.331 3.960 0.002 0.000 0.285 365 G C -0.119 174.856 174.900 0.124 0.000 1.084 365 G CA 0.085 45.190 45.100 0.008 0.000 1.216 365 G HN 0.837 nan 8.290 nan 0.000 0.429 366 V N 6.294 126.275 119.914 0.111 0.000 2.530 366 V HA 0.158 4.280 4.120 0.002 0.000 0.282 366 V C -1.663 174.430 176.094 -0.002 0.000 1.048 366 V CA -1.375 61.019 62.300 0.157 0.000 0.997 366 V CB 1.744 33.666 31.823 0.166 0.000 0.987 366 V HN 0.537 nan 8.190 nan 0.000 0.477 367 P HA 0.109 nan 4.420 nan 0.000 0.268 367 P C 0.632 177.856 177.300 -0.126 0.000 1.204 367 P CA -0.073 62.945 63.100 -0.138 0.000 0.768 367 P CB 0.607 32.174 31.700 -0.222 0.000 0.842 368 K N 2.288 122.597 120.400 -0.150 0.000 2.044 368 K HA -0.206 4.116 4.320 0.002 0.000 0.210 368 K C 1.964 178.470 176.600 -0.156 0.000 1.049 368 K CA 2.307 58.470 56.287 -0.206 0.000 0.927 368 K CB -0.402 31.939 32.500 -0.265 0.000 0.713 368 K HN 0.558 nan 8.250 nan 0.000 0.443 369 S N 0.327 115.946 115.700 -0.134 0.000 2.419 369 S HA -0.128 4.343 4.470 0.002 0.000 0.233 369 S C 1.859 176.419 174.600 -0.067 0.000 1.016 369 S CA 1.099 59.238 58.200 -0.102 0.000 0.974 369 S CB -0.442 62.701 63.200 -0.095 0.000 0.786 369 S HN 0.307 nan 8.310 nan 0.000 0.492 370 I N 1.560 122.088 120.570 -0.070 0.000 2.400 370 I HA 0.066 4.237 4.170 0.002 0.000 0.248 370 I C 3.054 179.198 176.117 0.045 0.000 1.109 370 I CA 0.794 62.082 61.300 -0.020 0.000 1.425 370 I CB -0.732 37.230 38.000 -0.064 0.000 1.094 370 I HN 0.403 nan 8.210 nan 0.000 0.425 371 A N 1.121 123.956 122.820 0.025 0.000 1.978 371 A HA -0.205 4.116 4.320 0.002 0.000 0.220 371 A C 2.211 179.852 177.584 0.096 0.000 1.170 371 A CA 1.548 53.638 52.037 0.089 0.000 0.636 371 A CB -0.445 18.604 19.000 0.082 0.000 0.810 371 A HN 0.326 nan 8.150 nan 0.000 0.448 372 K N -1.021 119.354 120.400 -0.041 0.000 2.432 372 K HA -0.008 4.314 4.320 0.002 0.000 0.196 372 K C 1.336 178.055 176.600 0.199 0.000 1.038 372 K CA 1.316 57.489 56.287 -0.189 0.000 0.986 372 K CB 0.014 32.383 32.500 -0.218 0.000 0.782 372 K HN 0.531 nan 8.250 nan 0.000 0.485 373 T N 0.608 115.270 114.554 0.181 0.000 3.045 373 T HA 0.142 4.493 4.350 0.002 0.000 0.239 373 T C 0.792 175.633 174.700 0.235 0.000 1.008 373 T CA -0.015 62.197 62.100 0.186 0.000 1.143 373 T CB 0.146 69.077 68.868 0.105 0.000 0.894 373 T HN -0.069 nan 8.240 nan 0.000 0.451 374 L N 1.064 122.429 121.223 0.236 0.000 2.476 374 L HA 0.509 4.851 4.340 0.002 0.000 0.255 374 L C 0.501 177.532 176.870 0.267 0.000 1.218 374 L CA 0.023 55.030 54.840 0.279 0.000 0.819 374 L CB 0.375 42.583 42.059 0.248 0.000 1.119 374 L HN 0.082 nan 8.230 nan 0.000 0.485 375 T N -1.073 113.625 114.554 0.240 0.000 2.853 375 T HA 0.458 4.809 4.350 0.002 0.000 0.311 375 T C -2.095 172.641 174.700 0.061 0.000 1.307 375 T CA -0.434 61.757 62.100 0.152 0.000 1.019 375 T CB 0.943 69.916 68.868 0.176 0.000 1.264 375 T HN 0.390 nan 8.240 nan 0.000 0.497 376 Y N 3.729 123.989 120.300 -0.066 0.000 2.331 376 Y HA 0.539 5.090 4.550 0.002 0.000 0.326 376 Y C -2.715 173.144 175.900 -0.067 0.000 1.020 376 Y CA -2.321 55.715 58.100 -0.107 0.000 1.136 376 Y CB 1.959 40.382 38.460 -0.062 0.000 1.157 376 Y HN 0.390 nan 8.280 nan 0.000 0.444 377 P HA 0.024 nan 4.420 nan 0.000 0.259 377 P C -1.105 175.749 177.300 -0.743 0.000 1.211 377 P CA 0.623 63.389 63.100 -0.557 0.000 0.810 377 P CB 0.259 31.676 31.700 -0.472 0.000 0.815 378 E N 3.158 123.174 120.200 -0.307 0.000 2.185 378 E HA 0.317 4.668 4.350 0.002 0.000 0.261 378 E C -0.977 175.621 176.600 -0.004 0.000 0.879 378 E CA -0.868 55.476 56.400 -0.094 0.000 0.756 378 E CB 0.934 30.691 29.700 0.096 0.000 1.152 378 E HN 0.037 nan 8.360 nan 0.000 0.416 379 V N 4.819 124.750 119.914 0.028 0.000 2.498 379 V HA 0.150 4.272 4.120 0.002 0.000 0.279 379 V C 0.558 176.715 176.094 0.105 0.000 1.048 379 V CA -0.828 61.516 62.300 0.073 0.000 0.967 379 V CB 0.846 32.715 31.823 0.077 0.000 0.988 379 V HN 0.593 nan 8.190 nan 0.000 0.473 380 V N 2.279 122.258 119.914 0.109 0.000 2.655 380 V HA 0.634 4.755 4.120 0.002 0.000 0.300 380 V C 0.154 176.345 176.094 0.162 0.000 1.044 380 V CA 0.406 62.756 62.300 0.083 0.000 1.095 380 V CB 0.953 32.761 31.823 -0.025 0.000 0.952 380 V HN 1.048 nan 8.190 nan 0.000 0.485 381 T N 4.759 119.417 114.554 0.175 0.000 2.894 381 T HA 0.564 4.915 4.350 0.002 0.000 0.309 381 T C -2.092 172.702 174.700 0.157 0.000 1.208 381 T CA -1.018 61.194 62.100 0.187 0.000 1.016 381 T CB 2.261 71.193 68.868 0.107 0.000 1.192 381 T HN 0.551 nan 8.240 nan 0.000 0.491 382 P HA -0.146 nan 4.420 nan 0.000 0.217 382 P C 0.932 178.190 177.300 -0.069 0.000 1.148 382 P CA 1.527 64.639 63.100 0.019 0.000 0.834 382 P CB -0.143 31.381 31.700 -0.293 0.000 0.783 383 Y N 1.597 121.953 120.300 0.093 0.000 2.181 383 Y HA -0.182 4.369 4.550 0.002 0.000 0.288 383 Y C 2.361 178.293 175.900 0.054 0.000 1.146 383 Y CA 1.307 59.442 58.100 0.058 0.000 1.164 383 Y CB -1.259 37.228 38.460 0.045 0.000 0.982 383 Y HN 0.172 nan 8.280 nan 0.000 0.515 384 N N -0.282 118.534 118.700 0.193 0.000 2.282 384 N HA -0.021 4.720 4.740 0.002 0.000 0.185 384 N C 1.239 176.784 175.510 0.058 0.000 1.099 384 N CA 0.350 53.474 53.050 0.124 0.000 0.878 384 N CB -0.842 37.725 38.487 0.132 0.000 0.993 384 N HN 0.348 nan 8.380 nan 0.000 0.481 385 I N 1.428 122.014 120.570 0.026 0.000 2.145 385 I HA -0.313 3.859 4.170 0.002 0.000 0.244 385 I C 1.256 177.357 176.117 -0.027 0.000 1.075 385 I CA 1.711 62.986 61.300 -0.042 0.000 1.332 385 I CB -0.274 37.648 38.000 -0.130 0.000 1.033 385 I HN 0.169 nan 8.210 nan 0.000 0.410 386 D N 0.062 120.459 120.400 -0.005 0.000 2.123 386 D HA -0.229 4.413 4.640 0.002 0.000 0.196 386 D C 2.199 178.501 176.300 0.003 0.000 0.992 386 D CA 1.269 55.267 54.000 -0.003 0.000 0.833 386 D CB -0.261 40.544 40.800 0.008 0.000 0.954 386 D HN 0.400 nan 8.370 nan 0.000 0.455 387 R N 0.582 121.092 120.500 0.016 0.000 2.075 387 R HA -0.015 4.327 4.340 0.002 0.000 0.226 387 R C 2.553 178.860 176.300 0.012 0.000 1.114 387 R CA 0.407 56.516 56.100 0.016 0.000 0.972 387 R CB -0.207 30.109 30.300 0.027 0.000 0.869 387 R HN 0.116 nan 8.270 nan 0.000 0.437 388 L N 0.219 121.451 121.223 0.015 0.000 2.005 388 L HA -0.134 4.208 4.340 0.002 0.000 0.207 388 L C 2.350 179.219 176.870 -0.001 0.000 1.072 388 L CA 1.839 56.686 54.840 0.012 0.000 0.744 388 L CB -0.462 41.609 42.059 0.020 0.000 0.895 388 L HN 0.294 nan 8.230 nan 0.000 0.433 389 T N -1.231 113.312 114.554 -0.017 0.000 2.699 389 T HA -0.319 4.033 4.350 0.002 0.000 0.268 389 T C 1.682 176.376 174.700 -0.011 0.000 1.036 389 T CA 1.697 63.784 62.100 -0.022 0.000 1.147 389 T CB -0.264 68.578 68.868 -0.044 0.000 0.862 389 T HN 0.262 nan 8.240 nan 0.000 0.446 390 Q N 0.734 120.529 119.800 -0.008 0.000 2.077 390 Q HA -0.089 4.252 4.340 0.002 0.000 0.206 390 Q C 2.175 178.175 176.000 -0.000 0.000 0.989 390 Q CA 1.435 57.235 55.803 -0.004 0.000 0.853 390 Q CB -0.628 28.109 28.738 -0.003 0.000 0.907 390 Q HN 0.402 nan 8.270 nan 0.000 0.418 391 L N -0.275 120.949 121.223 0.001 0.000 1.989 391 L HA -0.180 4.161 4.340 0.002 0.000 0.211 391 L C 2.399 179.272 176.870 0.004 0.000 1.071 391 L CA 1.661 56.503 54.840 0.004 0.000 0.749 391 L CB -0.966 41.097 42.059 0.005 0.000 0.890 391 L HN 0.265 nan 8.230 nan 0.000 0.431 392 V N -0.309 119.605 119.914 0.000 0.000 2.324 392 V HA -0.299 3.823 4.120 0.002 0.000 0.250 392 V C 2.656 178.749 176.094 -0.003 0.000 1.060 392 V CA 1.665 63.963 62.300 -0.003 0.000 1.042 392 V CB -0.767 31.062 31.823 0.010 0.000 0.650 392 V HN 0.448 nan 8.190 nan 0.000 0.450 393 R N 0.118 120.618 120.500 0.001 0.000 2.075 393 R HA -0.110 4.232 4.340 0.002 0.000 0.232 393 R C 2.280 178.583 176.300 0.005 0.000 1.126 393 R CA 1.434 57.535 56.100 0.001 0.000 0.963 393 R CB -0.564 29.736 30.300 -0.000 0.000 0.858 393 R HN 0.511 nan 8.270 nan 0.000 0.435 394 N N 0.088 118.795 118.700 0.010 0.000 2.137 394 N HA -0.108 4.633 4.740 0.002 0.000 0.190 394 N C 0.888 176.416 175.510 0.031 0.000 1.017 394 N CA 1.444 54.506 53.050 0.020 0.000 0.859 394 N CB -0.332 38.170 38.487 0.025 0.000 1.002 394 N HN 0.397 nan 8.380 nan 0.000 0.428 395 G N -0.366 108.453 108.800 0.030 0.000 2.755 395 G HA2 -0.148 3.814 3.960 0.002 0.000 0.686 395 G HA3 -0.148 3.814 3.960 0.002 0.000 0.686 395 G C -2.109 172.839 174.900 0.079 0.000 1.427 395 G CA -0.233 44.879 45.100 0.021 0.000 0.873 395 G HN 0.099 nan 8.290 nan 0.000 0.580 396 P HA 0.004 nan 4.420 nan 0.000 0.244 396 P C 0.714 178.116 177.300 0.170 0.000 1.211 396 P CA 0.968 64.151 63.100 0.138 0.000 0.760 396 P CB -0.012 31.658 31.700 -0.049 0.000 0.961 397 N N -1.135 117.616 118.700 0.084 0.000 2.419 397 N HA 0.032 4.774 4.740 0.002 0.000 0.216 397 N C 0.579 176.086 175.510 -0.004 0.000 1.118 397 N CA 0.018 53.080 53.050 0.019 0.000 0.850 397 N CB 0.038 38.520 38.487 -0.010 0.000 1.292 397 N HN 0.160 nan 8.380 nan 0.000 0.467 398 E N 0.465 120.679 120.200 0.024 0.000 2.343 398 E HA -0.011 4.341 4.350 0.002 0.000 0.269 398 E C 0.429 177.057 176.600 0.047 0.000 1.047 398 E CA -0.236 56.179 56.400 0.026 0.000 0.874 398 E CB 0.849 30.567 29.700 0.031 0.000 1.033 398 E HN 0.203 nan 8.360 nan 0.000 0.409 399 H N 4.467 123.492 119.070 -0.076 0.000 2.894 399 H HA -0.082 4.475 4.556 0.001 0.000 0.299 399 H C -1.588 173.715 175.328 -0.042 0.000 1.022 399 H CA 1.274 57.251 56.048 -0.118 0.000 1.061 399 H CB -1.266 28.454 29.762 -0.069 0.000 1.519 399 H HN 0.371 nan 8.280 nan 0.000 0.783 400 P HA 0.143 nan 4.420 nan 0.000 0.252 400 P C -0.480 176.815 177.300 -0.007 0.000 1.635 400 P CA 0.908 63.794 63.100 -0.356 0.000 1.206 400 P CB -0.175 31.337 31.700 -0.314 0.000 1.911 401 G N 0.645 109.608 108.800 0.272 0.000 3.195 401 G HA2 0.831 4.793 3.960 0.002 0.000 0.217 401 G HA3 0.831 4.793 3.960 0.002 0.000 0.217 401 G C -1.607 173.284 174.900 -0.015 0.000 1.166 401 G CA -0.442 44.794 45.100 0.228 0.000 0.812 401 G HN 0.365 nan 8.290 nan 0.000 0.617 402 A N -1.228 121.443 122.820 -0.248 0.000 2.589 402 A HA 0.696 5.017 4.320 0.002 0.000 0.296 402 A C -0.156 177.239 177.584 -0.314 0.000 1.062 402 A CA -0.504 51.306 52.037 -0.378 0.000 0.686 402 A CB 1.599 20.516 19.000 -0.139 0.000 1.282 402 A HN 0.484 nan 8.150 nan 0.000 0.404 403 K N 0.277 120.514 120.400 -0.271 0.000 3.730 403 K HA 0.279 4.600 4.320 0.002 0.000 0.166 403 K C -0.154 176.332 176.600 -0.191 0.000 1.148 403 K CA 0.049 56.197 56.287 -0.231 0.000 1.638 403 K CB -0.718 31.705 32.500 -0.128 0.000 2.264 403 K HN 0.631 nan 8.250 nan 0.000 0.518 404 Y N 1.051 121.318 120.300 -0.055 0.000 2.890 404 Y HA -0.005 4.549 4.550 0.007 0.000 0.341 404 Y C 0.623 176.500 175.900 -0.039 0.000 1.269 404 Y CA -0.068 58.008 58.100 -0.039 0.000 1.517 404 Y CB -0.008 38.439 38.460 -0.023 0.000 1.314 404 Y HN -0.092 nan 8.280 nan 0.000 0.622 405 V N 4.769 124.744 119.914 0.101 0.000 2.604 405 V HA 0.453 4.575 4.120 0.002 0.000 0.305 405 V C -0.446 175.636 176.094 -0.020 0.000 1.043 405 V CA -0.920 61.410 62.300 0.049 0.000 0.888 405 V CB 1.748 33.599 31.823 0.048 0.000 0.995 405 V HN 0.470 nan 8.190 nan 0.000 0.429 406 I N 4.527 125.057 120.570 -0.068 0.000 2.436 406 I HA 0.578 4.750 4.170 0.002 0.000 0.289 406 I C 0.201 176.080 176.117 -0.398 0.000 1.010 406 I CA -0.241 60.957 61.300 -0.171 0.000 1.098 406 I CB 1.781 39.723 38.000 -0.096 0.000 1.266 406 I HN 0.476 nan 8.210 nan 0.000 0.434 407 R N 3.513 123.662 120.500 -0.584 0.000 2.691 407 R HA 0.291 4.632 4.340 0.002 0.000 0.259 407 R C 0.921 176.900 176.300 -0.535 0.000 1.048 407 R CA -0.598 54.865 56.100 -1.061 0.000 1.086 407 R CB 0.895 30.571 30.300 -1.040 0.000 1.166 407 R HN 0.770 nan 8.270 nan 0.000 0.526 408 D N 0.290 120.445 120.400 -0.408 0.000 2.116 408 D HA -0.212 4.430 4.640 0.002 0.000 0.193 408 D C 1.074 177.352 176.300 -0.036 0.000 0.998 408 D CA 2.050 56.037 54.000 -0.022 0.000 0.836 408 D CB -0.334 40.583 40.800 0.195 0.000 0.951 408 D HN 0.479 nan 8.370 nan 0.000 0.449 409 S N -0.177 115.480 115.700 -0.073 0.000 2.440 409 S HA 0.081 4.553 4.470 0.002 0.000 0.238 409 S C 2.043 176.612 174.600 -0.051 0.000 1.010 409 S CA 1.238 59.413 58.200 -0.043 0.000 0.972 409 S CB -0.596 62.572 63.200 -0.052 0.000 0.774 409 S HN 0.765 nan 8.310 nan 0.000 0.501 410 G N 1.060 109.802 108.800 -0.097 0.000 2.144 410 G HA2 -0.165 3.797 3.960 0.002 0.000 0.218 410 G HA3 -0.165 3.797 3.960 0.002 0.000 0.218 410 G C -0.539 174.310 174.900 -0.086 0.000 0.988 410 G CA 0.015 45.066 45.100 -0.081 0.000 0.659 410 G HN 0.538 nan 8.290 nan 0.000 0.522 411 D N -0.240 120.092 120.400 -0.112 0.000 2.348 411 D HA 0.569 5.211 4.640 0.002 0.000 0.249 411 D C 0.710 176.953 176.300 -0.095 0.000 1.110 411 D CA -0.227 53.720 54.000 -0.090 0.000 0.967 411 D CB 0.998 41.746 40.800 -0.086 0.000 1.139 411 D HN 0.298 nan 8.370 nan 0.000 0.466 412 R N 0.217 120.694 120.500 -0.040 0.000 2.604 412 R HA 0.594 4.935 4.340 0.002 0.000 0.287 412 R C -0.804 175.515 176.300 0.032 0.000 0.970 412 R CA -0.743 55.365 56.100 0.013 0.000 0.946 412 R CB 0.917 31.258 30.300 0.069 0.000 1.127 412 R HN 0.285 nan 8.270 nan 0.000 0.473 413 I N 1.919 122.523 120.570 0.057 0.000 2.439 413 I HA 0.121 4.293 4.170 0.002 0.000 0.285 413 I C -0.854 175.285 176.117 0.036 0.000 1.021 413 I CA -0.337 60.981 61.300 0.030 0.000 1.091 413 I CB 1.801 39.791 38.000 -0.016 0.000 1.242 413 I HN 0.385 nan 8.210 nan 0.000 0.439 414 D N 6.783 127.191 120.400 0.014 0.000 2.411 414 D HA 0.218 4.859 4.640 0.002 0.000 0.225 414 D C 1.037 177.210 176.300 -0.210 0.000 1.156 414 D CA -0.047 53.857 54.000 -0.160 0.000 0.874 414 D CB 0.986 41.781 40.800 -0.010 0.000 1.034 414 D HN 0.463 nan 8.370 nan 0.000 0.502 415 L N 3.510 124.559 121.223 -0.290 0.000 2.450 415 L HA -0.132 4.210 4.340 0.002 0.000 0.224 415 L C 2.242 178.971 176.870 -0.234 0.000 1.149 415 L CA 0.709 55.428 54.840 -0.202 0.000 0.816 415 L CB -0.175 41.779 42.059 -0.174 0.000 0.932 415 L HN 0.371 nan 8.230 nan 0.000 0.449 416 R N -1.505 118.758 120.500 -0.394 0.000 2.210 416 R HA 0.004 4.346 4.340 0.002 0.000 0.203 416 R C 0.797 176.794 176.300 -0.505 0.000 1.010 416 R CA 0.335 56.153 56.100 -0.470 0.000 1.008 416 R CB -0.184 29.757 30.300 -0.600 0.000 0.923 416 R HN 0.227 nan 8.270 nan 0.000 0.469 417 Y N 1.199 121.455 120.300 -0.074 0.000 3.252 417 Y HA 0.291 4.837 4.550 -0.006 0.000 0.369 417 Y C 0.601 176.477 175.900 -0.041 0.000 1.223 417 Y CA -0.465 57.608 58.100 -0.045 0.000 1.036 417 Y CB -0.247 38.192 38.460 -0.035 0.000 1.152 417 Y HN 0.025 nan 8.280 nan 0.000 0.885 418 S N 0.618 116.420 115.700 0.170 0.000 3.066 418 S HA -0.182 4.290 4.470 0.002 0.000 0.845 418 S C 0.516 175.145 174.600 0.049 0.000 0.957 418 S CA 0.373 58.618 58.200 0.075 0.000 1.344 418 S CB -0.350 62.872 63.200 0.036 0.000 0.987 418 S HN 0.736 nan 8.310 nan 0.000 0.359 419 K N 4.230 124.654 120.400 0.039 0.000 2.360 419 K HA -0.007 4.315 4.320 0.002 0.000 0.201 419 K C 1.261 177.874 176.600 0.022 0.000 1.046 419 K CA 1.133 57.436 56.287 0.028 0.000 0.945 419 K CB -0.041 32.472 32.500 0.022 0.000 0.750 419 K HN 0.584 nan 8.250 nan 0.000 0.464 420 R N 0.112 120.625 120.500 0.023 0.000 2.633 420 R HA 0.256 4.598 4.340 0.002 0.000 0.348 420 R C 0.906 177.218 176.300 0.021 0.000 1.100 420 R CA 0.188 56.302 56.100 0.023 0.000 1.068 420 R CB 0.937 31.254 30.300 0.029 0.000 1.351 420 R HN 0.264 nan 8.270 nan 0.000 0.575 421 A N 0.078 122.905 122.820 0.012 0.000 2.016 421 A HA 0.035 4.357 4.320 0.002 0.000 0.217 421 A C 1.770 179.355 177.584 0.001 0.000 1.162 421 A CA 1.283 53.320 52.037 -0.000 0.000 0.662 421 A CB 0.019 19.009 19.000 -0.016 0.000 0.812 421 A HN 0.360 nan 8.150 nan 0.000 0.450 422 G N -1.067 107.736 108.800 0.005 0.000 3.371 422 G HA2 0.287 4.248 3.960 0.002 0.000 0.248 422 G HA3 0.287 4.248 3.960 0.002 0.000 0.248 422 G C 0.506 175.410 174.900 0.008 0.000 1.161 422 G CA 0.826 45.929 45.100 0.004 0.000 0.796 422 G HN 0.509 nan 8.290 nan 0.000 0.539 423 D N 0.584 120.992 120.400 0.014 0.000 2.949 423 D HA 0.133 4.774 4.640 0.002 0.000 0.247 423 D C 0.835 177.148 176.300 0.022 0.000 1.552 423 D CA 0.327 54.337 54.000 0.017 0.000 1.231 423 D CB -0.010 40.803 40.800 0.021 0.000 0.990 423 D HN 0.397 nan 8.370 nan 0.000 0.270 424 I N 0.423 121.019 120.570 0.043 0.000 7.658 424 I HA -0.182 3.989 4.170 0.002 0.000 0.126 424 I C -1.421 174.719 176.117 0.038 0.000 1.662 424 I CA 0.034 61.377 61.300 0.071 0.000 2.297 424 I CB -1.485 36.565 38.000 0.083 0.000 3.355 424 I HN 0.142 nan 8.210 nan 0.000 0.241 425 Q N 6.729 126.549 119.800 0.033 0.000 2.303 425 Q HA 0.620 4.962 4.340 0.002 0.000 0.257 425 Q C -0.301 175.582 176.000 -0.194 0.000 0.941 425 Q CA -0.653 55.111 55.803 -0.066 0.000 0.931 425 Q CB 2.020 30.716 28.738 -0.070 0.000 1.215 425 Q HN 0.740 nan 8.270 nan 0.000 0.437 426 L N 3.268 124.308 121.223 -0.304 0.000 2.288 426 L HA 0.208 4.550 4.340 0.002 0.000 0.283 426 L C 0.263 176.636 176.870 -0.829 0.000 1.072 426 L CA -0.607 53.914 54.840 -0.531 0.000 0.862 426 L CB 0.538 42.430 42.059 -0.279 0.000 1.245 426 L HN 0.341 nan 8.230 nan 0.000 0.432 427 Q N 1.579 120.592 119.800 -1.311 0.000 2.421 427 Q HA 0.163 4.504 4.340 0.002 0.000 0.255 427 Q C -0.848 174.580 176.000 -0.952 0.000 1.013 427 Q CA 0.268 55.445 55.803 -1.045 0.000 0.895 427 Q CB 0.438 28.637 28.738 -0.898 0.000 1.271 427 Q HN 0.239 nan 8.270 nan 0.000 0.460 428 Y N 0.213 120.259 120.300 -0.423 0.000 2.597 428 Y HA 0.227 4.779 4.550 0.004 0.000 0.336 428 Y C 1.610 177.427 175.900 -0.139 0.000 1.216 428 Y CA 1.325 59.281 58.100 -0.240 0.000 1.463 428 Y CB 0.640 39.009 38.460 -0.152 0.000 1.303 428 Y HN 0.817 nan 8.280 nan 0.000 0.576 429 G N 1.169 110.067 108.800 0.164 0.000 2.132 429 G HA2 -0.237 3.724 3.960 0.002 0.000 0.228 429 G HA3 -0.237 3.724 3.960 0.002 0.000 0.228 429 G C -0.908 174.216 174.900 0.375 0.000 1.000 429 G CA -0.651 44.578 45.100 0.215 0.000 0.693 429 G HN 0.479 nan 8.290 nan 0.000 0.515 430 W N 0.646 121.961 121.300 0.025 0.000 2.606 430 W HA 0.704 5.365 4.660 0.001 0.000 0.332 430 W C 0.439 176.954 176.519 -0.007 0.000 1.052 430 W CA -1.698 55.649 57.345 0.002 0.000 1.223 430 W CB 1.055 30.508 29.460 -0.012 0.000 1.383 430 W HN 0.006 nan 8.180 nan 0.000 0.524 431 K N 1.482 121.988 120.400 0.175 0.000 2.172 431 K HA 0.523 4.845 4.320 0.002 0.000 0.276 431 K C -0.825 175.820 176.600 0.075 0.000 1.013 431 K CA -0.716 55.615 56.287 0.073 0.000 0.913 431 K CB 1.596 34.091 32.500 -0.008 0.000 1.055 431 K HN 0.104 nan 8.250 nan 0.000 0.461 432 V N 3.809 123.756 119.914 0.055 0.000 2.304 432 V HA 0.081 4.202 4.120 0.002 0.000 0.278 432 V C -0.353 175.750 176.094 0.015 0.000 1.018 432 V CA -0.727 61.603 62.300 0.051 0.000 0.814 432 V CB 0.950 32.809 31.823 0.059 0.000 1.021 432 V HN 0.732 nan 8.190 nan 0.000 0.440 433 E N 5.511 125.722 120.200 0.019 0.000 2.238 433 E HA 0.162 4.513 4.350 0.002 0.000 0.264 433 E C 0.162 176.754 176.600 -0.013 0.000 1.136 433 E CA -0.110 56.295 56.400 0.008 0.000 0.929 433 E CB 0.525 30.267 29.700 0.069 0.000 1.010 433 E HN 0.648 nan 8.360 nan 0.000 0.440 434 R N 2.302 122.801 120.500 -0.002 0.000 2.691 434 R HA 0.412 4.754 4.340 0.002 0.000 0.259 434 R C 0.161 176.442 176.300 -0.033 0.000 1.048 434 R CA -0.923 55.150 56.100 -0.044 0.000 1.086 434 R CB 0.720 31.037 30.300 0.028 0.000 1.166 434 R HN 0.409 nan 8.270 nan 0.000 0.526 435 H N 0.353 119.467 119.070 0.072 0.000 2.757 435 H HA 0.123 4.680 4.556 0.001 0.000 0.370 435 H C 0.486 175.864 175.328 0.084 0.000 1.172 435 H CA -0.005 56.093 56.048 0.085 0.000 1.426 435 H CB 0.637 30.443 29.762 0.073 0.000 1.438 435 H HN 0.382 nan 8.280 nan 0.000 0.612 436 I N 2.642 123.362 120.570 0.250 0.000 2.634 436 I HA -0.002 4.169 4.170 0.002 0.000 0.284 436 I C 0.761 176.966 176.117 0.146 0.000 1.124 436 I CA 0.469 61.867 61.300 0.163 0.000 1.417 436 I CB 0.360 38.452 38.000 0.153 0.000 1.396 436 I HN 0.269 nan 8.210 nan 0.000 0.571 437 M N 3.456 123.107 119.600 0.084 0.000 2.796 437 M HA 0.345 4.827 4.480 0.002 0.000 0.303 437 M C -0.709 175.627 176.300 0.060 0.000 1.240 437 M CA -1.033 54.307 55.300 0.066 0.000 0.831 437 M CB 1.262 33.872 32.600 0.016 0.000 1.750 437 M HN 0.325 nan 8.290 nan 0.000 0.484 438 D N 2.053 122.492 120.400 0.066 0.000 2.571 438 D HA 0.002 4.644 4.640 0.002 0.000 0.231 438 D C -0.414 175.899 176.300 0.021 0.000 1.133 438 D CA 1.401 55.430 54.000 0.048 0.000 0.862 438 D CB 0.060 40.890 40.800 0.049 0.000 1.179 438 D HN 0.478 nan 8.370 nan 0.000 0.474 439 N N 1.876 120.584 118.700 0.014 0.000 2.608 439 N HA -0.195 4.546 4.740 0.002 0.000 0.273 439 N C -1.411 174.088 175.510 -0.018 0.000 1.133 439 N CA 0.771 53.820 53.050 -0.002 0.000 0.726 439 N CB -0.637 37.848 38.487 -0.003 0.000 0.890 439 N HN 0.394 nan 8.380 nan 0.000 0.548 440 D N -0.164 120.223 120.400 -0.021 0.000 2.527 440 D HA 0.487 5.128 4.640 0.002 0.000 0.233 440 D C -2.437 173.840 176.300 -0.039 0.000 1.063 440 D CA -1.294 52.675 54.000 -0.052 0.000 0.880 440 D CB 1.734 42.500 40.800 -0.056 0.000 1.457 440 D HN -0.003 nan 8.370 nan 0.000 0.475 441 P HA 0.191 nan 4.420 nan 0.000 0.287 441 P C -0.905 176.395 177.300 -0.001 0.000 1.307 441 P CA -0.418 62.664 63.100 -0.030 0.000 0.777 441 P CB 0.665 32.334 31.700 -0.051 0.000 0.883 442 V N 2.075 122.018 119.914 0.048 0.000 2.925 442 V HA 0.490 4.612 4.120 0.002 0.000 0.311 442 V C -0.579 175.611 176.094 0.160 0.000 1.104 442 V CA -1.189 61.167 62.300 0.093 0.000 0.954 442 V CB 2.671 34.545 31.823 0.086 0.000 1.022 442 V HN 0.339 nan 8.190 nan 0.000 0.427 443 L N 3.725 125.066 121.223 0.197 0.000 2.275 443 L HA 0.629 4.971 4.340 0.002 0.000 0.288 443 L C -1.474 175.596 176.870 0.334 0.000 1.046 443 L CA -0.376 54.607 54.840 0.238 0.000 0.805 443 L CB 1.334 43.495 42.059 0.171 0.000 1.193 443 L HN 0.892 nan 8.230 nan 0.000 0.426 444 F N 6.791 126.821 119.950 0.134 0.000 2.828 444 F HA 0.370 4.898 4.527 0.002 0.000 0.355 444 F C -0.636 175.168 175.800 0.006 0.000 1.200 444 F CA -0.870 57.123 58.000 -0.012 0.000 1.062 444 F CB 0.871 39.771 39.000 -0.167 0.000 1.351 444 F HN 0.521 nan 8.300 nan 0.000 0.504 445 N N 5.221 123.675 118.700 -0.410 0.000 2.292 445 N HA 0.487 5.228 4.740 0.002 0.000 0.303 445 N C -1.506 173.732 175.510 -0.454 0.000 1.140 445 N CA -0.830 52.077 53.050 -0.238 0.000 0.788 445 N CB 2.667 41.151 38.487 -0.005 0.000 1.361 445 N HN 0.723 nan 8.380 nan 0.000 0.489 446 R N 0.321 120.669 120.500 -0.253 0.000 2.674 446 R HA 0.334 4.676 4.340 0.002 0.000 0.266 446 R C -0.944 175.324 176.300 -0.054 0.000 1.016 446 R CA -0.351 55.637 56.100 -0.187 0.000 1.062 446 R CB 1.123 31.332 30.300 -0.152 0.000 1.142 446 R HN 0.678 nan 8.270 nan 0.000 0.517 447 Q N 1.523 121.292 119.800 -0.051 0.000 2.353 447 Q HA 0.441 4.783 4.340 0.002 0.000 0.268 447 Q C -2.379 173.608 176.000 -0.022 0.000 1.045 447 Q CA -1.878 53.911 55.803 -0.024 0.000 0.811 447 Q CB 2.399 31.125 28.738 -0.020 0.000 1.305 447 Q HN 0.470 nan 8.270 nan 0.000 0.447 448 P HA 0.234 nan 4.420 nan 0.000 0.294 448 P C -1.295 175.996 177.300 -0.016 0.000 1.294 448 P CA -0.767 62.322 63.100 -0.018 0.000 0.827 448 P CB 1.359 33.044 31.700 -0.023 0.000 0.992 449 S N 2.756 118.448 115.700 -0.013 0.000 2.411 449 S HA 0.413 4.884 4.470 0.002 0.000 0.294 449 S C 0.211 174.786 174.600 -0.042 0.000 1.115 449 S CA -0.628 57.570 58.200 -0.004 0.000 1.071 449 S CB -0.264 62.940 63.200 0.007 0.000 0.967 449 S HN 0.340 nan 8.310 nan 0.000 0.488 450 L N 0.829 121.997 121.223 -0.091 0.000 3.186 450 L HA 0.624 4.966 4.340 0.002 0.000 0.317 450 L C -0.377 176.278 176.870 -0.358 0.000 1.296 450 L CA -0.321 54.397 54.840 -0.204 0.000 0.870 450 L CB -0.810 41.106 42.059 -0.238 0.000 1.302 450 L HN 0.693 nan 8.230 nan 0.000 0.590 451 H N -1.124 117.910 119.070 -0.061 0.000 2.932 451 H HA 0.346 4.903 4.556 0.002 0.000 0.307 451 H C 0.026 175.309 175.328 -0.075 0.000 1.391 451 H CA -0.739 55.262 56.048 -0.079 0.000 1.130 451 H CB 1.657 31.366 29.762 -0.089 0.000 1.836 451 H HN 0.081 nan 8.280 nan 0.000 0.522 452 K N 0.127 120.578 120.400 0.084 0.000 2.076 452 K HA 0.003 4.325 4.320 0.002 0.000 0.204 452 K C 1.057 177.637 176.600 -0.034 0.000 1.051 452 K CA 1.434 57.723 56.287 0.003 0.000 0.949 452 K CB 0.031 32.512 32.500 -0.032 0.000 0.726 452 K HN 0.262 nan 8.250 nan 0.000 0.443 453 M N 1.708 121.233 119.600 -0.125 0.000 2.632 453 M HA 0.029 4.510 4.480 0.002 0.000 0.256 453 M C 1.980 178.097 176.300 -0.306 0.000 1.080 453 M CA 0.863 55.990 55.300 -0.289 0.000 1.084 453 M CB -0.100 32.220 32.600 -0.467 0.000 1.439 453 M HN 0.137 nan 8.290 nan 0.000 0.509 454 S N -0.275 115.402 115.700 -0.039 0.000 2.453 454 S HA 0.193 4.664 4.470 0.002 0.000 0.231 454 S C 0.746 175.455 174.600 0.182 0.000 1.005 454 S CA 0.682 58.931 58.200 0.081 0.000 0.949 454 S CB 0.037 63.331 63.200 0.157 0.000 0.774 454 S HN 0.403 nan 8.310 nan 0.000 0.510 455 M N 1.650 121.310 119.600 0.100 0.000 2.022 455 M HA 0.437 4.919 4.480 0.002 0.000 0.298 455 M C -1.159 175.219 176.300 0.130 0.000 0.909 455 M CA 0.155 55.546 55.300 0.152 0.000 0.914 455 M CB 1.613 34.252 32.600 0.065 0.000 1.486 455 M HN 0.112 nan 8.290 nan 0.000 0.415 456 M N 1.281 121.038 119.600 0.261 0.000 2.690 456 M HA 0.788 5.269 4.480 0.002 0.000 0.302 456 M C -0.245 176.206 176.300 0.252 0.000 1.234 456 M CA -0.866 54.534 55.300 0.167 0.000 0.853 456 M CB 2.403 35.040 32.600 0.060 0.000 1.748 456 M HN 0.631 nan 8.290 nan 0.000 0.469 457 A N 0.760 123.625 122.820 0.076 0.000 2.340 457 A HA 0.643 4.965 4.320 0.002 0.000 0.268 457 A C -0.837 176.708 177.584 -0.065 0.000 1.100 457 A CA -0.178 51.901 52.037 0.070 0.000 0.803 457 A CB 0.352 19.356 19.000 0.006 0.000 1.043 457 A HN 0.869 nan 8.150 nan 0.000 0.488 458 H N 0.220 119.296 119.070 0.010 0.000 2.977 458 H HA 0.393 4.951 4.556 0.003 0.000 0.350 458 H C -0.748 174.546 175.328 -0.056 0.000 1.238 458 H CA -0.733 55.288 56.048 -0.044 0.000 1.124 458 H CB 1.703 31.385 29.762 -0.134 0.000 1.866 458 H HN 0.722 nan 8.280 nan 0.000 0.550 459 R N 0.670 121.212 120.500 0.070 0.000 2.428 459 R HA 0.388 4.729 4.340 0.002 0.000 0.294 459 R C -0.664 175.643 176.300 0.012 0.000 1.000 459 R CA -0.748 55.365 56.100 0.022 0.000 0.960 459 R CB 1.501 31.807 30.300 0.009 0.000 1.076 459 R HN 0.162 nan 8.270 nan 0.000 0.475 460 V N 3.201 123.118 119.914 0.005 0.000 2.461 460 V HA 0.169 4.290 4.120 0.002 0.000 0.275 460 V C -0.050 176.054 176.094 0.017 0.000 1.047 460 V CA -0.339 61.964 62.300 0.005 0.000 0.955 460 V CB 1.076 32.915 31.823 0.028 0.000 0.988 460 V HN 0.588 nan 8.190 nan 0.000 0.471 461 K N 5.133 125.539 120.400 0.010 0.000 2.464 461 K HA 0.476 4.797 4.320 0.002 0.000 0.252 461 K C -0.959 175.657 176.600 0.026 0.000 1.000 461 K CA -0.413 55.888 56.287 0.022 0.000 0.951 461 K CB 1.262 33.769 32.500 0.012 0.000 1.183 461 K HN 0.419 nan 8.250 nan 0.000 0.445 462 V N 5.996 125.937 119.914 0.045 0.000 2.599 462 V HA 0.140 4.262 4.120 0.002 0.000 0.300 462 V C 0.409 176.486 176.094 -0.027 0.000 1.034 462 V CA 0.160 62.464 62.300 0.007 0.000 1.115 462 V CB -0.680 31.147 31.823 0.006 0.000 0.934 462 V HN 0.743 nan 8.190 nan 0.000 0.485 463 I N 3.759 124.301 120.570 -0.046 0.000 3.095 463 I HA 0.752 4.924 4.170 0.002 0.000 0.310 463 I C -2.683 173.412 176.117 -0.036 0.000 1.196 463 I CA -2.610 58.676 61.300 -0.022 0.000 0.985 463 I CB 1.758 39.770 38.000 0.020 0.000 1.250 463 I HN 0.351 nan 8.210 nan 0.000 0.446 464 P HA 0.232 nan 4.420 nan 0.000 0.273 464 P C -1.348 176.031 177.300 0.133 0.000 1.250 464 P CA 0.166 63.254 63.100 -0.019 0.000 0.793 464 P CB 0.163 31.865 31.700 0.004 0.000 1.011 465 Y N -2.391 117.859 120.300 -0.084 0.000 2.535 465 Y HA -0.196 4.357 4.550 0.005 0.000 0.023 465 Y C 1.252 177.091 175.900 -0.101 0.000 1.731 465 Y CA 0.634 58.686 58.100 -0.080 0.000 1.399 465 Y CB -2.209 36.211 38.460 -0.067 0.000 2.046 465 Y HN 0.292 nan 8.280 nan 0.000 0.258 466 S N -0.411 115.314 115.700 0.040 0.000 2.701 466 S HA 0.104 4.575 4.470 0.002 0.000 0.220 466 S C 0.529 175.065 174.600 -0.107 0.000 0.954 466 S CA 0.287 58.448 58.200 -0.065 0.000 0.936 466 S CB -0.378 62.779 63.200 -0.073 0.000 0.777 466 S HN 0.724 nan 8.310 nan 0.000 0.518 467 T N -0.316 114.208 114.554 -0.049 0.000 2.829 467 T HA 0.587 4.938 4.350 0.002 0.000 0.282 467 T C -0.184 174.497 174.700 -0.032 0.000 0.990 467 T CA -0.809 61.264 62.100 -0.045 0.000 1.028 467 T CB 0.300 69.172 68.868 0.006 0.000 0.951 467 T HN 0.143 nan 8.240 nan 0.000 0.460 468 F N 2.777 122.740 119.950 0.022 0.000 2.608 468 F HA 0.230 4.759 4.527 0.004 0.000 0.380 468 F C 1.571 177.359 175.800 -0.020 0.000 1.083 468 F CA -0.417 57.587 58.000 0.007 0.000 1.266 468 F CB 0.636 39.699 39.000 0.106 0.000 1.076 468 F HN 0.400 nan 8.300 nan 0.000 0.574 469 R N 5.148 125.739 120.500 0.152 0.000 2.599 469 R HA 0.768 5.110 4.340 0.002 0.000 0.295 469 R C -1.507 174.763 176.300 -0.050 0.000 0.963 469 R CA -1.112 54.999 56.100 0.019 0.000 0.883 469 R CB 1.718 31.997 30.300 -0.035 0.000 1.171 469 R HN 0.490 nan 8.270 nan 0.000 0.450 470 L N -1.160 120.058 121.223 -0.008 0.000 2.341 470 L HA 0.572 4.913 4.340 0.002 0.000 0.254 470 L C -0.387 176.521 176.870 0.063 0.000 1.040 470 L CA -1.179 53.663 54.840 0.003 0.000 0.837 470 L CB 1.045 43.136 42.059 0.054 0.000 1.425 470 L HN 0.427 nan 8.230 nan 0.000 0.414 471 N N 0.353 119.104 118.700 0.084 0.000 2.520 471 N HA 0.216 4.958 4.740 0.002 0.000 0.273 471 N C 0.788 176.381 175.510 0.138 0.000 1.155 471 N CA -0.081 53.015 53.050 0.077 0.000 0.967 471 N CB 1.253 39.767 38.487 0.045 0.000 1.092 471 N HN 0.818 nan 8.380 nan 0.000 0.457 472 L N 2.262 123.570 121.223 0.142 0.000 2.043 472 L HA -0.184 4.157 4.340 0.002 0.000 0.212 472 L C 2.107 179.066 176.870 0.149 0.000 1.075 472 L CA 1.198 56.166 54.840 0.212 0.000 0.752 472 L CB -0.489 41.677 42.059 0.179 0.000 0.891 472 L HN 0.479 nan 8.230 nan 0.000 0.432 473 S N -1.298 114.450 115.700 0.080 0.000 2.607 473 S HA 0.009 4.481 4.470 0.002 0.000 0.224 473 S C 1.323 175.870 174.600 -0.088 0.000 0.969 473 S CA 0.228 58.434 58.200 0.009 0.000 0.927 473 S CB 0.111 63.328 63.200 0.029 0.000 0.772 473 S HN 0.215 nan 8.310 nan 0.000 0.533 474 V N 1.205 121.127 119.914 0.015 0.000 3.342 474 V HA 0.085 4.207 4.120 0.002 0.000 0.322 474 V C 1.566 177.782 176.094 0.204 0.000 1.370 474 V CA 0.545 62.892 62.300 0.079 0.000 1.170 474 V CB -0.409 31.542 31.823 0.214 0.000 1.101 474 V HN 0.399 nan 8.190 nan 0.000 0.442 475 T N 0.146 114.780 114.554 0.133 0.000 2.612 475 T HA -0.145 4.207 4.350 0.002 0.000 0.259 475 T C 2.072 176.808 174.700 0.059 0.000 1.065 475 T CA 2.154 64.314 62.100 0.101 0.000 1.167 475 T CB -0.104 68.787 68.868 0.037 0.000 0.863 475 T HN 0.568 nan 8.240 nan 0.000 0.407 476 S N 1.803 117.511 115.700 0.013 0.000 2.365 476 S HA -0.095 4.376 4.470 0.002 0.000 0.225 476 S C -0.297 174.277 174.600 -0.043 0.000 1.039 476 S CA 1.707 59.901 58.200 -0.009 0.000 1.033 476 S CB -1.167 62.028 63.200 -0.008 0.000 0.887 476 S HN 0.559 nan 8.310 nan 0.000 0.447 477 P HA -0.065 nan 4.420 nan 0.000 0.221 477 P C 0.636 177.807 177.300 -0.214 0.000 1.150 477 P CA 1.165 64.108 63.100 -0.261 0.000 0.800 477 P CB -0.166 31.290 31.700 -0.407 0.000 0.787 478 Y N -0.671 119.620 120.300 -0.015 0.000 2.475 478 Y HA 0.052 4.604 4.550 0.003 0.000 0.289 478 Y C 1.035 176.927 175.900 -0.013 0.000 1.121 478 Y CA 0.359 58.454 58.100 -0.009 0.000 1.257 478 Y CB -0.601 37.839 38.460 -0.033 0.000 1.026 478 Y HN -0.033 nan 8.280 nan 0.000 0.555 479 N N 0.046 118.813 118.700 0.112 0.000 2.756 479 N HA -0.176 4.566 4.740 0.002 0.000 0.248 479 N C -0.680 174.830 175.510 0.000 0.000 1.062 479 N CA 0.373 53.447 53.050 0.041 0.000 0.696 479 N CB -1.067 37.441 38.487 0.035 0.000 0.946 479 N HN 0.384 nan 8.380 nan 0.000 0.548 480 A N 0.335 123.141 122.820 -0.023 0.000 2.242 480 A HA 0.730 5.052 4.320 0.002 0.000 0.304 480 A C 0.272 177.674 177.584 -0.303 0.000 1.100 480 A CA 0.410 52.358 52.037 -0.149 0.000 0.860 480 A CB 0.752 19.653 19.000 -0.166 0.000 1.168 480 A HN 0.651 nan 8.150 nan 0.000 0.503 481 D N -2.837 117.297 120.400 -0.444 0.000 2.768 481 D HA 0.361 5.002 4.640 0.002 0.000 0.327 481 D C -0.965 174.933 176.300 -0.670 0.000 1.302 481 D CA -0.407 53.200 54.000 -0.654 0.000 0.897 481 D CB 0.112 40.745 40.800 -0.278 0.000 1.420 481 D HN 0.247 nan 8.370 nan 0.000 0.494 482 F N -0.189 119.772 119.950 0.018 0.000 2.735 482 F HA 0.174 4.702 4.527 0.003 0.000 0.304 482 F C 1.126 176.931 175.800 0.008 0.000 1.119 482 F CA -0.665 57.343 58.000 0.014 0.000 1.280 482 F CB 0.444 39.452 39.000 0.013 0.000 0.994 482 F HN 0.217 nan 8.300 nan 0.000 0.520 483 D N 0.105 120.555 120.400 0.084 0.000 2.352 483 D HA 0.099 4.740 4.640 0.002 0.000 0.232 483 D C 1.523 177.851 176.300 0.047 0.000 1.055 483 D CA 0.756 54.789 54.000 0.055 0.000 0.891 483 D CB 0.035 40.846 40.800 0.018 0.000 0.897 483 D HN 0.340 nan 8.370 nan 0.000 0.529 484 G N 0.409 109.248 108.800 0.065 0.000 2.189 484 G HA2 -0.161 3.800 3.960 0.002 0.000 0.113 484 G HA3 -0.161 3.800 3.960 0.002 0.000 0.113 484 G C -0.802 174.121 174.900 0.038 0.000 1.038 484 G CA -0.390 44.744 45.100 0.056 0.000 0.704 484 G HN 0.299 nan 8.290 nan 0.000 0.490 485 D N 0.381 120.799 120.400 0.030 0.000 2.357 485 D HA 0.477 5.119 4.640 0.002 0.000 0.242 485 D C 0.456 176.774 176.300 0.031 0.000 1.153 485 D CA 0.254 54.258 54.000 0.007 0.000 0.918 485 D CB 1.249 42.028 40.800 -0.035 0.000 1.181 485 D HN 0.413 nan 8.370 nan 0.000 0.435 486 E N 0.236 120.443 120.200 0.011 0.000 2.199 486 E HA 0.426 4.778 4.350 0.002 0.000 0.269 486 E C -0.732 175.863 176.600 -0.009 0.000 0.899 486 E CA -0.644 55.778 56.400 0.038 0.000 0.772 486 E CB 1.391 31.108 29.700 0.028 0.000 1.155 486 E HN 0.276 nan 8.360 nan 0.000 0.408 487 M N 2.307 121.922 119.600 0.025 0.000 2.602 487 M HA 0.431 4.913 4.480 0.002 0.000 0.312 487 M C -0.635 175.560 176.300 -0.175 0.000 1.181 487 M CA -1.019 54.149 55.300 -0.220 0.000 0.910 487 M CB 1.863 34.146 32.600 -0.529 0.000 1.723 487 M HN 0.409 nan 8.290 nan 0.000 0.459 488 N N 1.711 120.216 118.700 -0.325 0.000 2.459 488 N HA 0.776 5.517 4.740 0.002 0.000 0.288 488 N C -1.488 173.910 175.510 -0.186 0.000 1.186 488 N CA -0.538 52.421 53.050 -0.153 0.000 0.917 488 N CB 2.430 40.875 38.487 -0.069 0.000 1.219 488 N HN 0.608 nan 8.380 nan 0.000 0.525 489 L N 0.519 121.697 121.223 -0.075 0.000 2.562 489 L HA 0.354 4.695 4.340 0.002 0.000 0.266 489 L C -1.457 175.380 176.870 -0.055 0.000 0.949 489 L CA -0.517 54.367 54.840 0.073 0.000 0.879 489 L CB 1.373 43.528 42.059 0.160 0.000 1.278 489 L HN 0.537 nan 8.230 nan 0.000 0.404 490 H N 3.804 122.956 119.070 0.136 0.000 2.529 490 H HA 0.619 5.176 4.556 0.003 0.000 0.348 490 H C -1.032 174.378 175.328 0.138 0.000 1.152 490 H CA -0.794 55.339 56.048 0.141 0.000 1.202 490 H CB 2.585 32.413 29.762 0.111 0.000 1.562 490 H HN 0.354 nan 8.280 nan 0.000 0.515 491 V N 4.296 124.362 119.914 0.254 0.000 2.448 491 V HA 0.213 4.334 4.120 0.002 0.000 0.295 491 V C -1.947 174.205 176.094 0.096 0.000 1.025 491 V CA -1.720 60.670 62.300 0.151 0.000 0.859 491 V CB 1.525 33.422 31.823 0.124 0.000 0.988 491 V HN 0.640 nan 8.190 nan 0.000 0.431 492 P HA 0.247 nan 4.420 nan 0.000 0.273 492 P C -0.539 176.815 177.300 0.089 0.000 1.250 492 P CA -0.070 63.067 63.100 0.062 0.000 0.793 492 P CB 1.164 32.886 31.700 0.037 0.000 1.011 493 Q N -1.326 118.537 119.800 0.105 0.000 2.101 493 Q HA 0.128 4.470 4.340 0.002 0.000 0.236 493 Q C 0.252 176.292 176.000 0.067 0.000 0.772 493 Q CA 0.333 56.161 55.803 0.042 0.000 0.944 493 Q CB 0.504 29.134 28.738 -0.180 0.000 1.171 493 Q HN 0.633 nan 8.270 nan 0.000 0.463 494 S N -0.488 115.297 115.700 0.141 0.000 2.566 494 S HA 0.436 4.908 4.470 0.002 0.000 0.298 494 S C 0.832 175.536 174.600 0.174 0.000 1.083 494 S CA -0.625 57.644 58.200 0.114 0.000 0.978 494 S CB 2.555 65.780 63.200 0.042 0.000 1.073 494 S HN -0.158 nan 8.310 nan 0.000 0.491 495 E N 1.799 122.098 120.200 0.164 0.000 2.086 495 E HA -0.223 4.128 4.350 0.002 0.000 0.200 495 E C 2.024 178.669 176.600 0.074 0.000 1.012 495 E CA 2.067 58.552 56.400 0.142 0.000 0.812 495 E CB -0.208 29.559 29.700 0.112 0.000 0.743 495 E HN 0.915 nan 8.360 nan 0.000 0.453 496 E N -0.197 120.038 120.200 0.058 0.000 2.106 496 E HA -0.122 4.230 4.350 0.002 0.000 0.192 496 E C 2.002 178.620 176.600 0.029 0.000 0.984 496 E CA 1.359 57.781 56.400 0.037 0.000 0.806 496 E CB -0.819 28.899 29.700 0.030 0.000 0.750 496 E HN 0.109 nan 8.360 nan 0.000 0.458 497 T N 1.789 116.366 114.554 0.038 0.000 2.737 497 T HA -0.164 4.187 4.350 0.002 0.000 0.269 497 T C 1.959 176.669 174.700 0.017 0.000 1.040 497 T CA 1.912 64.030 62.100 0.031 0.000 1.142 497 T CB -0.232 68.665 68.868 0.048 0.000 0.861 497 T HN 0.269 nan 8.240 nan 0.000 0.456 498 R N 1.180 121.685 120.500 0.009 0.000 2.075 498 R HA 0.130 4.471 4.340 0.002 0.000 0.232 498 R C 2.918 179.205 176.300 -0.022 0.000 1.126 498 R CA 1.176 57.257 56.100 -0.032 0.000 0.963 498 R CB -0.527 29.721 30.300 -0.087 0.000 0.858 498 R HN 0.388 nan 8.270 nan 0.000 0.435 499 A N 1.365 124.181 122.820 -0.006 0.000 1.877 499 A HA -0.207 4.115 4.320 0.002 0.000 0.216 499 A C 1.994 179.576 177.584 -0.004 0.000 1.186 499 A CA 1.418 53.452 52.037 -0.004 0.000 0.620 499 A CB -0.386 18.619 19.000 0.008 0.000 0.822 499 A HN 0.354 nan 8.150 nan 0.000 0.443 500 E N -0.779 119.422 120.200 0.001 0.000 2.418 500 E HA -0.046 4.305 4.350 0.002 0.000 0.197 500 E C 1.669 178.265 176.600 -0.006 0.000 1.026 500 E CA 0.133 56.532 56.400 -0.001 0.000 0.862 500 E CB -0.006 29.694 29.700 0.000 0.000 0.799 500 E HN 0.482 nan 8.360 nan 0.000 0.518 501 L N 0.151 121.371 121.223 -0.005 0.000 2.084 501 L HA -0.060 4.282 4.340 0.002 0.000 0.202 501 L C 2.519 179.380 176.870 -0.014 0.000 1.074 501 L CA 1.632 56.470 54.840 -0.003 0.000 0.757 501 L CB -0.831 41.230 42.059 0.005 0.000 0.918 501 L HN 0.222 nan 8.230 nan 0.000 0.444 502 S N -1.603 114.085 115.700 -0.020 0.000 2.527 502 S HA -0.071 4.401 4.470 0.002 0.000 0.222 502 S C 1.517 176.099 174.600 -0.030 0.000 0.985 502 S CA 0.217 58.399 58.200 -0.029 0.000 0.921 502 S CB 0.111 63.292 63.200 -0.031 0.000 0.772 502 S HN 0.386 nan 8.310 nan 0.000 0.529 503 Q N -0.074 119.711 119.800 -0.025 0.000 2.378 503 Q HA 0.403 4.744 4.340 0.002 0.000 0.216 503 Q C 1.137 177.118 176.000 -0.032 0.000 0.892 503 Q CA 0.421 56.209 55.803 -0.026 0.000 0.931 503 Q CB 0.145 28.871 28.738 -0.020 0.000 1.086 503 Q HN 0.509 nan 8.270 nan 0.000 0.528 504 L N -1.956 119.249 121.223 -0.030 0.000 2.663 504 L HA 0.121 4.463 4.340 0.002 0.000 0.218 504 L C 1.740 178.587 176.870 -0.038 0.000 1.043 504 L CA 0.576 55.396 54.840 -0.034 0.000 0.876 504 L CB 0.010 42.051 42.059 -0.028 0.000 1.263 504 L HN 0.004 nan 8.230 nan 0.000 0.486 505 C N 0.425 119.705 119.300 -0.033 0.000 2.634 505 C HA 0.497 4.959 4.460 0.002 0.000 0.268 505 C C 1.509 176.466 174.990 -0.055 0.000 1.322 505 C CA -0.808 58.190 59.018 -0.033 0.000 1.737 505 C CB -0.905 26.831 27.740 -0.007 0.000 1.976 505 C HN 0.382 nan 8.230 nan 0.000 0.547 506 A N 1.242 124.025 122.820 -0.062 0.000 2.580 506 A HA 0.244 4.566 4.320 0.002 0.000 0.244 506 A C 1.447 178.954 177.584 -0.129 0.000 1.045 506 A CA 0.421 52.402 52.037 -0.093 0.000 0.761 506 A CB 0.212 19.169 19.000 -0.072 0.000 0.962 506 A HN 0.285 nan 8.150 nan 0.000 0.512 507 V N 4.933 124.724 119.914 -0.205 0.000 2.222 507 V HA -0.257 3.865 4.120 0.002 0.000 0.252 507 V C -0.048 175.947 176.094 -0.165 0.000 1.060 507 V CA 2.925 65.082 62.300 -0.239 0.000 1.027 507 V CB -1.698 29.912 31.823 -0.356 0.000 0.644 507 V HN 0.850 nan 8.190 nan 0.000 0.448 508 P HA -0.162 nan 4.420 nan 0.000 0.217 508 P C 1.039 178.296 177.300 -0.072 0.000 1.162 508 P CA 1.458 64.510 63.100 -0.080 0.000 0.901 508 P CB -0.331 31.339 31.700 -0.050 0.000 0.793 509 L N -2.821 118.360 121.223 -0.072 0.000 2.803 509 L HA 0.211 4.552 4.340 0.002 0.000 0.241 509 L C 0.823 177.643 176.870 -0.084 0.000 1.404 509 L CA 1.109 55.910 54.840 -0.066 0.000 1.211 509 L CB -0.952 41.078 42.059 -0.050 0.000 1.585 509 L HN -0.090 nan 8.230 nan 0.000 0.430 510 Q N -0.835 118.904 119.800 -0.103 0.000 1.842 510 Q HA 0.297 4.639 4.340 0.002 0.000 0.180 510 Q C 1.582 177.500 176.000 -0.136 0.000 0.751 510 Q CA 0.189 55.918 55.803 -0.124 0.000 0.861 510 Q CB 0.318 28.968 28.738 -0.147 0.000 1.223 510 Q HN 0.689 nan 8.270 nan 0.000 0.401 511 I N 0.080 120.583 120.570 -0.111 0.000 2.252 511 I HA -0.087 4.085 4.170 0.002 0.000 0.245 511 I C 1.053 177.112 176.117 -0.096 0.000 1.102 511 I CA 0.977 62.227 61.300 -0.083 0.000 1.385 511 I CB 0.447 38.448 38.000 0.001 0.000 1.064 511 I HN -0.141 nan 8.210 nan 0.000 0.414 512 V N 1.204 121.038 119.914 -0.133 0.000 2.333 512 V HA 0.266 4.388 4.120 0.002 0.000 0.274 512 V C -0.052 175.955 176.094 -0.145 0.000 1.028 512 V CA -0.233 61.955 62.300 -0.188 0.000 0.851 512 V CB 1.195 32.840 31.823 -0.298 0.000 1.000 512 V HN 0.208 nan 8.190 nan 0.000 0.456 513 S N 8.670 124.304 115.700 -0.110 0.000 2.462 513 S HA 0.572 5.044 4.470 0.002 0.000 0.294 513 S C -1.236 173.360 174.600 -0.007 0.000 1.144 513 S CA -1.397 56.758 58.200 -0.075 0.000 1.088 513 S CB 1.858 64.991 63.200 -0.111 0.000 1.009 513 S HN 0.669 nan 8.310 nan 0.000 0.484 514 P HA -0.220 nan 4.420 nan 0.000 0.217 514 P C 1.347 178.806 177.300 0.265 0.000 1.148 514 P CA 1.153 64.343 63.100 0.150 0.000 0.828 514 P CB 0.098 31.893 31.700 0.160 0.000 0.783 515 Q N 0.436 120.316 119.800 0.134 0.000 2.045 515 Q HA -0.128 4.214 4.340 0.002 0.000 0.206 515 Q C 0.684 176.753 176.000 0.114 0.000 0.991 515 Q CA 2.155 58.015 55.803 0.095 0.000 0.851 515 Q CB -0.102 28.635 28.738 -0.000 0.000 0.911 515 Q HN 0.172 nan 8.270 nan 0.000 0.418 516 S N 0.775 116.502 115.700 0.045 0.000 2.941 516 S HA 0.103 4.575 4.470 0.002 0.000 0.251 516 S C -0.707 173.976 174.600 0.139 0.000 1.029 516 S CA 0.043 58.231 58.200 -0.019 0.000 1.062 516 S CB 0.236 63.433 63.200 -0.005 0.000 0.977 516 S HN 0.674 nan 8.310 nan 0.000 0.552 517 N N 2.357 121.145 118.700 0.147 0.000 2.702 517 N HA -0.302 4.439 4.740 0.002 0.000 0.261 517 N C -0.460 175.185 175.510 0.225 0.000 0.965 517 N CA 1.535 54.697 53.050 0.187 0.000 0.795 517 N CB -1.806 36.827 38.487 0.244 0.000 0.909 517 N HN 0.793 nan 8.380 nan 0.000 0.546 518 K N -4.137 116.328 120.400 0.109 0.000 2.571 518 K HA 0.661 4.982 4.320 0.002 0.000 0.289 518 K C -3.411 173.143 176.600 -0.078 0.000 1.028 518 K CA -2.016 54.311 56.287 0.067 0.000 0.895 518 K CB 1.319 33.947 32.500 0.214 0.000 1.534 518 K HN -0.112 nan 8.250 nan 0.000 0.421 519 P HA 0.010 nan 4.420 nan 0.000 0.271 519 P C 0.553 177.840 177.300 -0.022 0.000 1.216 519 P CA -0.473 62.583 63.100 -0.073 0.000 0.776 519 P CB 0.806 32.494 31.700 -0.019 0.000 0.881 520 C N 1.885 121.155 119.300 -0.051 0.000 2.780 520 C HA 0.373 4.834 4.460 0.002 0.000 0.267 520 C C 0.910 175.878 174.990 -0.038 0.000 1.266 520 C CA -0.262 58.719 59.018 -0.063 0.000 1.709 520 C CB -1.092 26.560 27.740 -0.147 0.000 1.975 520 C HN 0.388 nan 8.230 nan 0.000 0.582 521 M N 1.558 121.157 119.600 -0.001 0.000 2.537 521 M HA 0.696 5.178 4.480 0.002 0.000 0.324 521 M C 0.290 176.716 176.300 0.209 0.000 1.187 521 M CA 0.450 55.771 55.300 0.035 0.000 0.993 521 M CB 1.891 34.431 32.600 -0.099 0.000 1.666 521 M HN 0.430 nan 8.290 nan 0.000 0.461 522 G N 0.958 109.909 108.800 0.252 0.000 2.606 522 G HA2 0.618 4.580 3.960 0.002 0.000 0.300 522 G HA3 0.618 4.580 3.960 0.002 0.000 0.300 522 G C -1.922 173.156 174.900 0.296 0.000 1.360 522 G CA -0.775 44.508 45.100 0.306 0.000 0.783 522 G HN 0.463 nan 8.290 nan 0.000 0.484 523 I N 1.288 121.959 120.570 0.168 0.000 2.379 523 I HA 0.395 4.567 4.170 0.002 0.000 0.290 523 I C 0.794 176.959 176.117 0.080 0.000 1.063 523 I CA -0.412 60.960 61.300 0.121 0.000 1.351 523 I CB 0.767 38.789 38.000 0.036 0.000 1.410 523 I HN 0.468 nan 8.210 nan 0.000 0.505 524 V N 4.313 124.279 119.914 0.088 0.000 3.046 524 V HA 0.656 4.777 4.120 0.002 0.000 0.316 524 V C 0.309 176.439 176.094 0.061 0.000 1.104 524 V CA -0.727 61.614 62.300 0.069 0.000 1.006 524 V CB 1.522 33.392 31.823 0.078 0.000 1.058 524 V HN 0.830 nan 8.190 nan 0.000 0.440 525 Q N -0.146 119.687 119.800 0.054 0.000 1.795 525 Q HA -0.332 4.010 4.340 0.002 0.000 0.404 525 Q C 1.124 177.150 176.000 0.044 0.000 0.847 525 Q CA 2.228 58.066 55.803 0.059 0.000 0.799 525 Q CB -1.304 27.483 28.738 0.081 0.000 3.822 525 Q HN 1.046 nan 8.270 nan 0.000 0.742 526 D N 0.009 120.441 120.400 0.053 0.000 2.160 526 D HA -0.152 4.489 4.640 0.002 0.000 0.189 526 D C 1.949 178.255 176.300 0.010 0.000 1.003 526 D CA 2.608 56.629 54.000 0.035 0.000 0.846 526 D CB -0.675 40.148 40.800 0.038 0.000 0.949 526 D HN 0.591 nan 8.370 nan 0.000 0.446 527 T N 0.829 115.396 114.554 0.021 0.000 2.653 527 T HA -0.216 4.135 4.350 0.002 0.000 0.268 527 T C 1.940 176.636 174.700 -0.006 0.000 1.035 527 T CA 1.246 63.355 62.100 0.014 0.000 1.154 527 T CB -0.559 68.327 68.868 0.031 0.000 0.862 527 T HN 0.073 nan 8.240 nan 0.000 0.441 528 L N 0.656 121.877 121.223 -0.003 0.000 2.141 528 L HA 0.078 4.420 4.340 0.002 0.000 0.209 528 L C 2.593 179.430 176.870 -0.056 0.000 1.094 528 L CA 1.218 56.044 54.840 -0.023 0.000 0.763 528 L CB -0.919 41.138 42.059 -0.003 0.000 0.908 528 L HN 0.477 nan 8.230 nan 0.000 0.437 529 C N -0.552 118.705 119.300 -0.071 0.000 2.450 529 C HA 0.145 4.606 4.460 0.002 0.000 0.279 529 C C 2.625 177.501 174.990 -0.190 0.000 1.335 529 C CA 0.586 59.507 59.018 -0.162 0.000 1.749 529 C CB -1.536 26.072 27.740 -0.220 0.000 1.963 529 C HN 0.681 nan 8.230 nan 0.000 0.501 530 G N -0.267 108.478 108.800 -0.091 0.000 2.539 530 G HA2 0.010 3.971 3.960 0.002 0.000 0.215 530 G HA3 0.010 3.971 3.960 0.002 0.000 0.215 530 G C 1.492 176.363 174.900 -0.048 0.000 1.141 530 G CA 0.622 45.728 45.100 0.010 0.000 0.806 530 G HN 0.579 nan 8.290 nan 0.000 0.533 531 I N 0.022 120.544 120.570 -0.080 0.000 2.830 531 I HA 0.041 4.213 4.170 0.002 0.000 0.263 531 I C 2.579 178.601 176.117 -0.159 0.000 1.230 531 I CA 0.602 61.825 61.300 -0.129 0.000 1.480 531 I CB 0.015 37.958 38.000 -0.095 0.000 1.095 531 I HN 0.120 nan 8.210 nan 0.000 0.455 532 R N 0.897 121.315 120.500 -0.136 0.000 2.055 532 R HA -0.144 4.197 4.340 0.002 0.000 0.228 532 R C 2.212 178.409 176.300 -0.171 0.000 1.143 532 R CA 1.103 57.121 56.100 -0.137 0.000 0.945 532 R CB -0.118 30.115 30.300 -0.111 0.000 0.841 532 R HN 0.168 nan 8.270 nan 0.000 0.429 533 K N 0.918 121.229 120.400 -0.149 0.000 2.089 533 K HA -0.218 4.103 4.320 0.002 0.000 0.210 533 K C 2.124 178.471 176.600 -0.420 0.000 1.048 533 K CA 1.267 57.487 56.287 -0.112 0.000 0.926 533 K CB -0.573 32.023 32.500 0.161 0.000 0.714 533 K HN 0.229 nan 8.250 nan 0.000 0.448 534 L N 1.076 121.880 121.223 -0.698 0.000 2.046 534 L HA -0.120 4.222 4.340 0.002 0.000 0.208 534 L C 2.081 178.585 176.870 -0.609 0.000 1.077 534 L CA 1.870 56.048 54.840 -1.103 0.000 0.747 534 L CB -0.630 40.909 42.059 -0.866 0.000 0.896 534 L HN 0.060 nan 8.230 nan 0.000 0.432 535 T N 0.058 114.384 114.554 -0.381 0.000 3.043 535 T HA 0.113 4.465 4.350 0.002 0.000 0.263 535 T C 0.921 175.489 174.700 -0.219 0.000 1.094 535 T CA -0.289 61.655 62.100 -0.261 0.000 1.127 535 T CB -0.301 68.452 68.868 -0.193 0.000 0.905 535 T HN 0.099 nan 8.240 nan 0.000 0.490 536 L N 2.025 123.121 121.223 -0.212 0.000 2.685 536 L HA -0.111 4.230 4.340 0.002 0.000 0.305 536 L C 1.875 178.615 176.870 -0.217 0.000 1.258 536 L CA 0.180 54.918 54.840 -0.170 0.000 0.876 536 L CB 0.364 42.339 42.059 -0.140 0.000 1.124 536 L HN 0.150 nan 8.230 nan 0.000 0.507 537 R N 1.510 121.909 120.500 -0.169 0.000 2.193 537 R HA -0.157 4.185 4.340 0.002 0.000 0.229 537 R C 0.915 176.999 176.300 -0.360 0.000 1.110 537 R CA 1.204 57.187 56.100 -0.195 0.000 0.988 537 R CB -0.093 30.158 30.300 -0.081 0.000 0.871 537 R HN 0.657 nan 8.270 nan 0.000 0.458 538 D N -0.380 119.835 120.400 -0.308 0.000 2.333 538 D HA -0.013 4.629 4.640 0.002 0.000 0.208 538 D C -0.275 175.733 176.300 -0.487 0.000 0.984 538 D CA 0.611 54.425 54.000 -0.310 0.000 0.873 538 D CB 0.380 41.115 40.800 -0.108 0.000 0.935 538 D HN -0.068 nan 8.370 nan 0.000 0.521 539 T N 0.694 114.946 114.554 -0.502 0.000 2.723 539 T HA 0.290 4.642 4.350 0.002 0.000 0.297 539 T C -0.330 174.093 174.700 -0.462 0.000 0.925 539 T CA -0.060 61.839 62.100 -0.336 0.000 1.030 539 T CB 0.021 68.725 68.868 -0.273 0.000 0.905 539 T HN -0.098 nan 8.240 nan 0.000 0.502 540 F N 2.855 122.862 119.950 0.096 0.000 2.520 540 F HA 0.591 5.120 4.527 0.002 0.000 0.322 540 F C 0.233 176.139 175.800 0.176 0.000 1.103 540 F CA -1.319 56.753 58.000 0.120 0.000 0.926 540 F CB 1.536 40.601 39.000 0.107 0.000 1.154 540 F HN 0.302 nan 8.300 nan 0.000 0.453 541 I N 2.625 123.450 120.570 0.425 0.000 2.406 541 I HA 0.320 4.492 4.170 0.002 0.000 0.290 541 I C -0.659 175.669 176.117 0.352 0.000 0.999 541 I CA -0.784 60.718 61.300 0.337 0.000 1.124 541 I CB 1.795 39.951 38.000 0.260 0.000 1.289 541 I HN 0.633 nan 8.210 nan 0.000 0.441 542 E N 4.919 125.274 120.200 0.258 0.000 2.250 542 E HA 0.274 4.625 4.350 0.002 0.000 0.269 542 E C 0.661 177.326 176.600 0.108 0.000 1.018 542 E CA -0.838 55.712 56.400 0.250 0.000 0.873 542 E CB 1.748 31.563 29.700 0.192 0.000 1.134 542 E HN 0.418 nan 8.360 nan 0.000 0.403 543 L N 2.335 123.628 121.223 0.117 0.000 2.012 543 L HA -0.384 3.958 4.340 0.002 0.000 0.236 543 L C 1.757 178.561 176.870 -0.110 0.000 1.099 543 L CA 2.976 57.769 54.840 -0.078 0.000 0.821 543 L CB -0.947 41.153 42.059 0.069 0.000 0.918 543 L HN 0.944 nan 8.230 nan 0.000 0.445 544 D N -1.284 119.102 120.400 -0.023 0.000 2.600 544 D HA -0.391 4.251 4.640 0.002 0.000 0.194 544 D C 1.784 178.076 176.300 -0.012 0.000 1.040 544 D CA 2.621 56.613 54.000 -0.015 0.000 0.871 544 D CB -0.893 39.911 40.800 0.006 0.000 0.973 544 D HN 0.703 nan 8.370 nan 0.000 0.470 545 Q N 0.370 120.180 119.800 0.017 0.000 1.993 545 Q HA -0.080 4.261 4.340 0.002 0.000 0.202 545 Q C 2.851 178.864 176.000 0.022 0.000 0.984 545 Q CA 1.448 57.315 55.803 0.106 0.000 0.837 545 Q CB -0.226 28.603 28.738 0.153 0.000 0.902 545 Q HN 0.257 nan 8.270 nan 0.000 0.423 546 V N 1.675 121.507 119.914 -0.137 0.000 2.370 546 V HA -0.298 3.824 4.120 0.002 0.000 0.252 546 V C 2.193 178.066 176.094 -0.369 0.000 1.068 546 V CA 1.742 63.829 62.300 -0.355 0.000 1.061 546 V CB -0.745 30.570 31.823 -0.846 0.000 0.656 546 V HN 0.327 nan 8.190 nan 0.000 0.455 547 L N -0.469 120.580 121.223 -0.289 0.000 2.072 547 L HA -0.071 4.270 4.340 0.002 0.000 0.205 547 L C 2.497 179.243 176.870 -0.207 0.000 1.079 547 L CA 1.314 55.996 54.840 -0.262 0.000 0.752 547 L CB -0.843 41.118 42.059 -0.164 0.000 0.906 547 L HN 0.317 nan 8.230 nan 0.000 0.436 548 N N 0.478 119.117 118.700 -0.101 0.000 2.043 548 N HA -0.184 4.557 4.740 0.002 0.000 0.193 548 N C 1.935 177.374 175.510 -0.118 0.000 1.037 548 N CA 1.653 54.647 53.050 -0.094 0.000 0.851 548 N CB -0.265 38.203 38.487 -0.032 0.000 1.027 548 N HN 0.330 nan 8.380 nan 0.000 0.422 549 M N 0.380 119.934 119.600 -0.076 0.000 2.082 549 M HA -0.183 4.299 4.480 0.002 0.000 0.258 549 M C 1.921 178.111 176.300 -0.183 0.000 1.071 549 M CA 1.316 56.585 55.300 -0.051 0.000 1.103 549 M CB -0.552 32.058 32.600 0.017 0.000 1.307 549 M HN 0.049 nan 8.290 nan 0.000 0.409 550 L N -0.357 120.612 121.223 -0.423 0.000 2.034 550 L HA -0.272 4.070 4.340 0.002 0.000 0.217 550 L C 2.525 178.984 176.870 -0.684 0.000 1.077 550 L CA 2.121 56.419 54.840 -0.903 0.000 0.769 550 L CB -1.797 39.333 42.059 -1.549 0.000 0.890 550 L HN 0.342 nan 8.230 nan 0.000 0.435 551 Y N -1.969 117.994 120.300 -0.563 0.000 2.352 551 Y HA -0.235 4.316 4.550 0.002 0.000 0.292 551 Y C 2.302 178.098 175.900 -0.173 0.000 1.136 551 Y CA 0.596 58.524 58.100 -0.286 0.000 1.227 551 Y CB -0.622 37.681 38.460 -0.263 0.000 0.991 551 Y HN 0.147 nan 8.280 nan 0.000 0.545 552 W N -0.156 120.937 121.300 -0.345 0.000 2.467 552 W HA 0.023 4.684 4.660 0.002 0.000 0.275 552 W C 0.493 176.874 176.519 -0.230 0.000 1.239 552 W CA 0.635 57.755 57.345 -0.375 0.000 1.266 552 W CB 0.023 29.233 29.460 -0.416 0.000 1.112 552 W HN -0.374 nan 8.180 nan 0.000 0.576 553 V N 3.933 123.907 119.914 0.099 0.000 2.439 553 V HA -0.022 4.099 4.120 0.002 0.000 0.271 553 V C -1.082 175.092 176.094 0.135 0.000 1.040 553 V CA -0.727 61.637 62.300 0.106 0.000 1.002 553 V CB 0.705 32.581 31.823 0.090 0.000 1.000 553 V HN -0.065 nan 8.190 nan 0.000 0.477 554 P HA 0.066 nan 4.420 nan 0.000 0.245 554 P C 0.322 177.692 177.300 0.117 0.000 1.212 554 P CA 0.603 63.752 63.100 0.081 0.000 0.774 554 P CB 0.459 32.190 31.700 0.052 0.000 0.999 555 D N -2.075 118.418 120.400 0.154 0.000 2.503 555 D HA 0.022 4.664 4.640 0.002 0.000 0.218 555 D C -0.179 176.235 176.300 0.190 0.000 1.183 555 D CA -0.361 53.720 54.000 0.134 0.000 0.827 555 D CB 0.105 40.965 40.800 0.099 0.000 1.034 555 D HN 0.115 nan 8.370 nan 0.000 0.510 556 W N 4.516 125.843 121.300 0.044 0.000 2.397 556 W HA -0.013 4.648 4.660 0.002 0.000 0.327 556 W C 1.122 177.667 176.519 0.043 0.000 1.421 556 W CA -0.646 56.729 57.345 0.050 0.000 1.288 556 W CB 0.538 30.042 29.460 0.074 0.000 1.312 556 W HN -0.044 nan 8.180 nan 0.000 0.559 557 D N 3.967 124.156 120.400 -0.352 0.000 2.358 557 D HA -0.020 4.621 4.640 0.002 0.000 0.241 557 D C 1.427 177.246 176.300 -0.803 0.000 1.094 557 D CA 0.636 54.383 54.000 -0.422 0.000 0.907 557 D CB -0.701 39.970 40.800 -0.216 0.000 0.893 557 D HN 0.769 nan 8.370 nan 0.000 0.528 558 G N -0.261 107.459 108.800 -1.801 0.000 2.305 558 G HA2 -0.217 3.744 3.960 0.002 0.000 0.287 558 G HA3 -0.217 3.744 3.960 0.002 0.000 0.287 558 G C -0.086 174.122 174.900 -1.154 0.000 1.036 558 G CA 0.305 44.167 45.100 -2.064 0.000 0.887 558 G HN 0.414 nan 8.290 nan 0.000 0.505 559 V N 2.480 121.905 119.914 -0.815 0.000 2.385 559 V HA 0.299 4.420 4.120 0.002 0.000 0.277 559 V C 0.672 176.944 176.094 0.298 0.000 1.012 559 V CA -1.293 60.934 62.300 -0.122 0.000 0.832 559 V CB 1.211 32.975 31.823 -0.098 0.000 1.028 559 V HN 0.338 nan 8.190 nan 0.000 0.436 560 I N 7.095 127.913 120.570 0.412 0.000 2.845 560 I HA 0.096 4.268 4.170 0.002 0.000 0.296 560 I C -1.650 174.688 176.117 0.369 0.000 1.216 560 I CA -1.024 60.547 61.300 0.452 0.000 1.438 560 I CB 0.256 38.467 38.000 0.352 0.000 1.342 560 I HN 0.394 nan 8.210 nan 0.000 0.577 561 P HA 0.183 nan 4.420 nan 0.000 0.285 561 P C -0.579 176.972 177.300 0.418 0.000 1.259 561 P CA -0.407 62.917 63.100 0.372 0.000 0.794 561 P CB 0.412 32.333 31.700 0.367 0.000 0.940 562 T N 5.232 119.903 114.554 0.194 0.000 2.902 562 T HA 0.177 4.528 4.350 0.002 0.000 0.301 562 T C -1.888 172.726 174.700 -0.143 0.000 1.012 562 T CA -0.582 61.546 62.100 0.046 0.000 1.151 562 T CB -0.587 68.289 68.868 0.014 0.000 0.946 562 T HN 0.409 nan 8.240 nan 0.000 0.542 563 P HA 0.319 nan 4.420 nan 0.000 0.285 563 P C 0.515 177.479 177.300 -0.561 0.000 1.259 563 P CA -0.523 61.906 63.100 -1.120 0.000 0.794 563 P CB 1.077 31.735 31.700 -1.736 0.000 0.940 564 A N 4.551 127.134 122.820 -0.394 0.000 1.948 564 A HA -0.111 4.210 4.320 0.002 0.000 0.220 564 A C 1.224 178.679 177.584 -0.214 0.000 1.177 564 A CA 1.220 53.148 52.037 -0.181 0.000 0.636 564 A CB -0.838 18.141 19.000 -0.035 0.000 0.815 564 A HN 0.600 nan 8.150 nan 0.000 0.449 565 I N -0.143 120.238 120.570 -0.315 0.000 2.354 565 I HA 0.322 4.493 4.170 0.002 0.000 0.292 565 I C -0.417 175.514 176.117 -0.310 0.000 0.989 565 I CA -0.285 60.839 61.300 -0.294 0.000 1.188 565 I CB 1.737 39.517 38.000 -0.366 0.000 1.342 565 I HN 0.191 nan 8.210 nan 0.000 0.457 566 I N 6.465 126.903 120.570 -0.220 0.000 3.491 566 I HA 0.159 4.330 4.170 0.002 0.000 0.332 566 I C 0.536 176.579 176.117 -0.122 0.000 1.565 566 I CA -0.449 60.742 61.300 -0.183 0.000 1.050 566 I CB -0.419 37.489 38.000 -0.154 0.000 1.348 566 I HN 0.499 nan 8.210 nan 0.000 0.506 567 K N 0.602 120.929 120.400 -0.121 0.000 2.772 567 K HA 0.574 4.896 4.320 0.002 0.000 0.312 567 K C -1.445 175.112 176.600 -0.072 0.000 0.981 567 K CA -0.940 55.294 56.287 -0.087 0.000 1.289 567 K CB -1.240 31.207 32.500 -0.088 0.000 1.516 567 K HN -0.340 nan 8.250 nan 0.000 0.674 568 P HA -0.261 nan 4.420 nan 0.000 0.229 568 P C -0.466 176.813 177.300 -0.034 0.000 1.152 568 P CA 1.863 64.939 63.100 -0.040 0.000 0.915 568 P CB 0.074 31.751 31.700 -0.039 0.000 0.784 569 K N -2.092 118.277 120.400 -0.051 0.000 2.523 569 K HA 0.364 4.685 4.320 0.002 0.000 0.257 569 K C -2.952 173.606 176.600 -0.070 0.000 0.932 569 K CA -2.394 53.874 56.287 -0.032 0.000 0.812 569 K CB 2.324 34.817 32.500 -0.011 0.000 1.326 569 K HN -0.240 nan 8.250 nan 0.000 0.433 570 P HA 0.204 nan 4.420 nan 0.000 0.287 570 P C -1.089 176.176 177.300 -0.058 0.000 1.281 570 P CA -0.464 62.542 63.100 -0.157 0.000 0.781 570 P CB 0.661 32.275 31.700 -0.144 0.000 0.903 571 L N 3.438 124.548 121.223 -0.189 0.000 2.354 571 L HA 0.535 4.877 4.340 0.002 0.000 0.264 571 L C 0.134 177.012 176.870 0.014 0.000 1.008 571 L CA -0.723 54.163 54.840 0.076 0.000 0.819 571 L CB 1.778 43.772 42.059 -0.108 0.000 1.339 571 L HN 0.459 nan 8.230 nan 0.000 0.420 572 W N 0.234 121.594 121.300 0.099 0.000 2.655 572 W HA 0.439 5.100 4.660 0.003 0.000 0.358 572 W C 0.363 177.044 176.519 0.270 0.000 1.100 572 W CA -0.526 56.898 57.345 0.131 0.000 1.195 572 W CB 2.088 31.604 29.460 0.093 0.000 1.403 572 W HN 0.433 nan 8.180 nan 0.000 0.589 573 S N 0.234 116.193 115.700 0.431 0.000 2.632 573 S HA 0.353 4.824 4.470 0.002 0.000 0.271 573 S C 1.132 175.803 174.600 0.118 0.000 1.260 573 S CA 0.346 58.726 58.200 0.299 0.000 1.010 573 S CB 1.172 64.486 63.200 0.189 0.000 0.965 573 S HN 0.623 nan 8.310 nan 0.000 0.534 574 G N 2.926 111.686 108.800 -0.067 0.000 2.587 574 G HA2 -0.243 3.718 3.960 0.002 0.000 0.217 574 G HA3 -0.243 3.718 3.960 0.002 0.000 0.217 574 G C 1.239 176.070 174.900 -0.116 0.000 1.240 574 G CA 1.156 46.137 45.100 -0.199 0.000 0.794 574 G HN 0.853 nan 8.290 nan 0.000 0.580 575 K N -0.064 120.276 120.400 -0.100 0.000 2.127 575 K HA -0.256 4.065 4.320 0.002 0.000 0.212 575 K C 2.584 179.183 176.600 -0.000 0.000 1.050 575 K CA 1.642 57.895 56.287 -0.057 0.000 0.929 575 K CB -0.288 32.190 32.500 -0.038 0.000 0.715 575 K HN 0.300 nan 8.250 nan 0.000 0.457 576 Q N 0.422 120.259 119.800 0.063 0.000 2.029 576 Q HA -0.210 4.131 4.340 0.002 0.000 0.209 576 Q C 2.345 178.412 176.000 0.112 0.000 0.999 576 Q CA 2.214 58.098 55.803 0.135 0.000 0.857 576 Q CB -0.290 28.611 28.738 0.271 0.000 0.926 576 Q HN 0.537 nan 8.270 nan 0.000 0.415 577 I N -1.838 118.775 120.570 0.071 0.000 2.585 577 I HA -0.082 4.090 4.170 0.002 0.000 0.254 577 I C 2.183 178.294 176.117 -0.011 0.000 1.129 577 I CA 0.458 61.771 61.300 0.023 0.000 1.455 577 I CB -0.758 37.221 38.000 -0.034 0.000 1.111 577 I HN 0.018 nan 8.210 nan 0.000 0.433 578 L N 1.049 122.249 121.223 -0.037 0.000 2.187 578 L HA -0.119 4.222 4.340 0.002 0.000 0.213 578 L C 2.210 179.061 176.870 -0.032 0.000 1.100 578 L CA 1.695 56.504 54.840 -0.053 0.000 0.765 578 L CB -0.956 41.048 42.059 -0.092 0.000 0.904 578 L HN 0.241 nan 8.230 nan 0.000 0.437 579 S N -0.955 114.738 115.700 -0.012 0.000 2.442 579 S HA -0.096 4.376 4.470 0.002 0.000 0.236 579 S C 1.804 176.418 174.600 0.025 0.000 1.007 579 S CA 1.189 59.390 58.200 0.001 0.000 0.965 579 S CB -0.411 62.801 63.200 0.020 0.000 0.773 579 S HN 0.426 nan 8.310 nan 0.000 0.504 580 V N 1.305 121.244 119.914 0.042 0.000 2.970 580 V HA -0.055 4.067 4.120 0.002 0.000 0.260 580 V C 2.303 178.436 176.094 0.065 0.000 1.100 580 V CA 1.332 63.681 62.300 0.081 0.000 1.122 580 V CB -1.060 30.809 31.823 0.077 0.000 0.721 580 V HN 0.528 nan 8.190 nan 0.000 0.483 581 A N -0.031 122.802 122.820 0.022 0.000 1.911 581 A HA 0.223 4.545 4.320 0.002 0.000 0.212 581 A C 1.112 178.693 177.584 -0.005 0.000 1.189 581 A CA 0.317 52.360 52.037 0.010 0.000 0.639 581 A CB -0.195 18.795 19.000 -0.016 0.000 0.839 581 A HN 0.471 nan 8.150 nan 0.000 0.449 582 I N 1.536 122.093 120.570 -0.022 0.000 2.471 582 I HA 0.144 4.315 4.170 0.002 0.000 0.286 582 I C -1.773 174.329 176.117 -0.025 0.000 1.079 582 I CA -1.793 59.483 61.300 -0.040 0.000 1.398 582 I CB 0.987 38.951 38.000 -0.059 0.000 1.403 582 I HN 0.160 nan 8.210 nan 0.000 0.530 583 P HA 0.084 nan 4.420 nan 0.000 0.298 583 P C -0.793 176.486 177.300 -0.035 0.000 1.404 583 P CA 0.134 63.223 63.100 -0.018 0.000 0.795 583 P CB 0.427 32.118 31.700 -0.016 0.000 1.842 584 N N -1.603 117.072 118.700 -0.042 0.000 2.310 584 N HA 0.422 5.163 4.740 0.002 0.000 0.292 584 N C 0.170 175.635 175.510 -0.076 0.000 1.049 584 N CA 0.114 53.130 53.050 -0.057 0.000 0.849 584 N CB 1.851 40.321 38.487 -0.028 0.000 1.532 584 N HN 0.665 nan 8.380 nan 0.000 0.479 585 G N 0.968 109.681 108.800 -0.144 0.000 2.141 585 G HA2 -0.208 3.753 3.960 0.002 0.000 0.242 585 G HA3 -0.208 3.753 3.960 0.002 0.000 0.242 585 G C -0.291 174.455 174.900 -0.257 0.000 0.982 585 G CA -0.352 44.661 45.100 -0.144 0.000 0.662 585 G HN 0.475 nan 8.290 nan 0.000 0.527 586 I N 2.510 122.877 120.570 -0.338 0.000 2.312 586 I HA 0.399 4.570 4.170 0.002 0.000 0.291 586 I C 0.226 176.098 176.117 -0.408 0.000 1.031 586 I CA -0.686 60.465 61.300 -0.248 0.000 1.293 586 I CB 0.430 38.346 38.000 -0.139 0.000 1.403 586 I HN 0.115 nan 8.210 nan 0.000 0.484 587 H N 6.536 125.597 119.070 -0.015 0.000 2.524 587 H HA 0.645 5.203 4.556 0.003 0.000 0.353 587 H C -0.988 174.315 175.328 -0.042 0.000 1.136 587 H CA -0.810 55.224 56.048 -0.024 0.000 1.193 587 H CB 3.218 32.977 29.762 -0.005 0.000 1.558 587 H HN 0.372 nan 8.280 nan 0.000 0.515 588 L N 1.913 123.160 121.223 0.039 0.000 2.482 588 L HA 0.284 4.625 4.340 0.002 0.000 0.263 588 L C -1.143 175.671 176.870 -0.093 0.000 0.957 588 L CA -0.231 54.588 54.840 -0.035 0.000 0.836 588 L CB 2.582 44.592 42.059 -0.083 0.000 1.324 588 L HN 0.598 nan 8.230 nan 0.000 0.406 589 Q N 3.283 123.029 119.800 -0.091 0.000 2.285 589 Q HA 0.485 4.827 4.340 0.002 0.000 0.269 589 Q C -0.419 175.491 176.000 -0.150 0.000 1.030 589 Q CA -0.417 55.292 55.803 -0.157 0.000 0.788 589 Q CB 2.366 31.084 28.738 -0.032 0.000 1.266 589 Q HN 0.724 nan 8.270 nan 0.000 0.438 590 R N 2.631 122.959 120.500 -0.286 0.000 2.006 590 R HA 0.370 4.712 4.340 0.002 0.000 0.181 590 R C -0.813 175.488 176.300 0.002 0.000 1.617 590 R CA 0.318 56.334 56.100 -0.140 0.000 1.276 590 R CB 0.559 30.775 30.300 -0.139 0.000 1.107 590 R HN 0.688 nan 8.270 nan 0.000 0.474 591 F N 1.363 121.344 119.950 0.052 0.000 2.117 591 F HA -0.252 4.276 4.527 0.003 0.000 0.474 591 F C -0.008 175.813 175.800 0.035 0.000 1.237 591 F CA 0.343 58.384 58.000 0.068 0.000 1.530 591 F CB -0.428 38.606 39.000 0.056 0.000 2.435 591 F HN 0.372 nan 8.300 nan 0.000 0.727 592 D N 1.804 122.328 120.400 0.207 0.000 2.482 592 D HA 0.216 4.858 4.640 0.002 0.000 0.223 592 D C 1.330 177.691 176.300 0.102 0.000 1.262 592 D CA -0.282 53.787 54.000 0.115 0.000 1.125 592 D CB 0.278 41.120 40.800 0.071 0.000 1.196 592 D HN 0.466 nan 8.370 nan 0.000 0.594 593 E N 0.491 120.730 120.200 0.066 0.000 1.987 593 E HA -0.022 4.329 4.350 0.002 0.000 0.200 593 E C 0.939 177.572 176.600 0.056 0.000 0.990 593 E CA 0.553 56.981 56.400 0.046 0.000 0.859 593 E CB -0.756 28.960 29.700 0.026 0.000 0.805 593 E HN 0.367 nan 8.360 nan 0.000 0.499 594 G N 1.749 110.579 108.800 0.050 0.000 3.343 594 G HA2 0.212 4.174 3.960 0.002 0.000 0.279 594 G HA3 0.212 4.174 3.960 0.002 0.000 0.279 594 G C -0.711 174.229 174.900 0.067 0.000 0.919 594 G CA -0.167 44.960 45.100 0.045 0.000 1.812 594 G HN -0.017 nan 8.290 nan 0.000 0.584 595 T N 0.907 115.531 114.554 0.117 0.000 2.893 595 T HA 0.377 4.729 4.350 0.002 0.000 0.324 595 T C 0.345 175.167 174.700 0.205 0.000 1.082 595 T CA -0.464 61.756 62.100 0.200 0.000 0.983 595 T CB 1.124 70.229 68.868 0.395 0.000 1.005 595 T HN 0.206 nan 8.240 nan 0.000 0.475 596 T N 2.689 117.283 114.554 0.066 0.000 3.416 596 T HA 0.297 4.649 4.350 0.002 0.000 0.245 596 T C 1.144 175.806 174.700 -0.063 0.000 1.081 596 T CA -0.663 61.450 62.100 0.022 0.000 1.190 596 T CB -0.593 68.263 68.868 -0.019 0.000 1.068 596 T HN 0.604 nan 8.240 nan 0.000 0.580 597 L N -0.424 120.749 121.223 -0.084 0.000 4.552 597 L HA -0.271 4.070 4.340 0.002 0.000 0.443 597 L C 1.111 177.692 176.870 -0.481 0.000 1.104 597 L CA 1.067 55.714 54.840 -0.323 0.000 0.959 597 L CB -1.367 40.668 42.059 -0.040 0.000 1.818 597 L HN 0.520 nan 8.230 nan 0.000 1.030 598 L N -1.881 119.103 121.223 -0.398 0.000 2.948 598 L HA 0.176 4.517 4.340 0.002 0.000 0.259 598 L C 0.931 177.638 176.870 -0.271 0.000 1.136 598 L CA 0.547 55.206 54.840 -0.302 0.000 0.959 598 L CB 0.575 42.547 42.059 -0.145 0.000 1.370 598 L HN 0.338 nan 8.230 nan 0.000 0.552 599 S N 0.998 116.544 115.700 -0.256 0.000 3.356 599 S HA -0.105 4.367 4.470 0.002 0.000 0.376 599 S C -2.023 172.549 174.600 -0.047 0.000 0.924 599 S CA -0.046 58.088 58.200 -0.109 0.000 1.316 599 S CB -1.184 61.987 63.200 -0.048 0.000 0.922 599 S HN 0.231 nan 8.310 nan 0.000 0.553 600 P HA 0.120 nan 4.420 nan 0.000 0.259 600 P C 0.556 177.856 177.300 -0.000 0.000 1.307 600 P CA 0.667 63.757 63.100 -0.017 0.000 0.768 600 P CB 0.041 31.732 31.700 -0.015 0.000 1.199 601 K N -1.642 118.763 120.400 0.009 0.000 2.554 601 K HA 0.071 4.393 4.320 0.002 0.000 0.211 601 K C -0.184 176.432 176.600 0.027 0.000 1.226 601 K CA -0.159 56.139 56.287 0.017 0.000 1.025 601 K CB 0.312 32.824 32.500 0.021 0.000 1.021 601 K HN -0.224 nan 8.250 nan 0.000 0.600 602 D N 1.856 122.278 120.400 0.038 0.000 2.689 602 D HA -0.181 4.460 4.640 0.002 0.000 0.237 602 D C -0.757 175.595 176.300 0.087 0.000 1.148 602 D CA 0.622 54.666 54.000 0.073 0.000 0.656 602 D CB -0.817 40.007 40.800 0.040 0.000 1.050 602 D HN 0.210 nan 8.370 nan 0.000 0.426 603 N N -0.049 118.712 118.700 0.103 0.000 2.408 603 N HA 0.581 5.323 4.740 0.002 0.000 0.260 603 N C 1.271 176.870 175.510 0.147 0.000 1.242 603 N CA 0.683 53.792 53.050 0.098 0.000 0.959 603 N CB 0.542 39.084 38.487 0.092 0.000 1.201 603 N HN 0.460 nan 8.380 nan 0.000 0.511 604 G N -0.165 108.679 108.800 0.074 0.000 2.645 604 G HA2 -0.152 3.810 3.960 0.002 0.000 0.246 604 G HA3 -0.152 3.810 3.960 0.002 0.000 0.246 604 G C -0.585 174.225 174.900 -0.150 0.000 1.322 604 G CA 0.404 45.502 45.100 -0.004 0.000 0.898 604 G HN 0.695 nan 8.290 nan 0.000 0.573 605 M N -1.272 118.093 119.600 -0.392 0.000 2.319 605 M HA 0.653 5.135 4.480 0.002 0.000 0.265 605 M C -1.866 174.001 176.300 -0.722 0.000 1.038 605 M CA -0.544 54.443 55.300 -0.523 0.000 0.946 605 M CB 1.621 34.048 32.600 -0.287 0.000 1.984 605 M HN 1.468 nan 8.290 nan 0.000 0.482 606 L N 6.377 126.999 121.223 -1.002 0.000 2.349 606 L HA 0.800 5.141 4.340 0.002 0.000 0.278 606 L C -1.864 174.775 176.870 -0.385 0.000 0.996 606 L CA -0.199 54.222 54.840 -0.698 0.000 0.825 606 L CB 1.471 43.026 42.059 -0.840 0.000 1.243 606 L HN 0.804 nan 8.230 nan 0.000 0.412 607 I N 6.539 126.980 120.570 -0.214 0.000 2.411 607 I HA 0.381 4.553 4.170 0.002 0.000 0.284 607 I C -0.826 175.263 176.117 -0.047 0.000 1.012 607 I CA -0.464 60.758 61.300 -0.130 0.000 1.119 607 I CB 1.615 39.538 38.000 -0.127 0.000 1.261 607 I HN 0.422 nan 8.210 nan 0.000 0.448 608 I N 5.649 126.208 120.570 -0.018 0.000 2.337 608 I HA 0.195 4.366 4.170 0.002 0.000 0.285 608 I C -0.178 175.913 176.117 -0.043 0.000 1.041 608 I CA -0.249 61.090 61.300 0.065 0.000 1.199 608 I CB 0.553 38.614 38.000 0.101 0.000 1.370 608 I HN 0.651 nan 8.210 nan 0.000 0.470 609 D N 5.811 126.043 120.400 -0.280 0.000 4.075 609 D HA -0.179 4.462 4.640 0.002 0.000 0.228 609 D C 1.399 177.612 176.300 -0.145 0.000 1.057 609 D CA 1.445 55.262 54.000 -0.304 0.000 1.199 609 D CB -0.178 40.548 40.800 -0.124 0.000 0.777 609 D HN 1.073 nan 8.370 nan 0.000 0.388 610 G N 2.553 111.262 108.800 -0.152 0.000 2.256 610 G HA2 -0.322 3.639 3.960 0.002 0.000 0.279 610 G HA3 -0.322 3.639 3.960 0.002 0.000 0.279 610 G C 0.138 175.012 174.900 -0.044 0.000 0.998 610 G CA 1.183 46.234 45.100 -0.080 0.000 0.720 610 G HN 0.675 nan 8.290 nan 0.000 0.521 611 Q N -0.698 119.075 119.800 -0.046 0.000 2.359 611 Q HA 0.594 4.936 4.340 0.002 0.000 0.274 611 Q C 0.054 176.031 176.000 -0.039 0.000 1.074 611 Q CA -0.788 55.004 55.803 -0.019 0.000 0.810 611 Q CB 2.340 31.083 28.738 0.009 0.000 1.342 611 Q HN 0.734 nan 8.270 nan 0.000 0.427 612 I N 0.618 121.165 120.570 -0.039 0.000 2.354 612 I HA 0.352 4.523 4.170 0.002 0.000 0.292 612 I C -0.035 176.053 176.117 -0.049 0.000 0.989 612 I CA -0.564 60.691 61.300 -0.075 0.000 1.188 612 I CB 0.741 38.683 38.000 -0.097 0.000 1.342 612 I HN 0.465 nan 8.210 nan 0.000 0.457 613 I N 6.143 126.667 120.570 -0.076 0.000 2.556 613 I HA 0.233 4.405 4.170 0.002 0.000 0.251 613 I C 0.482 176.680 176.117 0.135 0.000 1.105 613 I CA 1.026 62.346 61.300 0.034 0.000 1.436 613 I CB -0.863 37.188 38.000 0.086 0.000 1.139 613 I HN 0.737 nan 8.210 nan 0.000 0.438 614 F N -0.284 119.640 119.950 -0.044 0.000 2.668 614 F HA 0.749 5.278 4.527 0.003 0.000 0.309 614 F C -0.334 175.422 175.800 -0.073 0.000 1.117 614 F CA -0.953 57.017 58.000 -0.051 0.000 0.951 614 F CB 1.182 40.156 39.000 -0.043 0.000 1.323 614 F HN 0.132 nan 8.300 nan 0.000 0.451 615 G N 0.950 109.800 108.800 0.084 0.000 2.742 615 G HA2 0.289 4.251 3.960 0.002 0.000 0.686 615 G HA3 0.289 4.251 3.960 0.002 0.000 0.686 615 G C -1.591 173.274 174.900 -0.059 0.000 1.220 615 G CA -0.693 44.406 45.100 -0.001 0.000 0.783 615 G HN 1.183 nan 8.290 nan 0.000 0.646 616 V N 1.453 121.340 119.914 -0.044 0.000 2.715 616 V HA 0.390 4.511 4.120 0.002 0.000 0.299 616 V C 1.252 177.293 176.094 -0.088 0.000 1.054 616 V CA -0.570 61.688 62.300 -0.071 0.000 1.077 616 V CB 1.504 33.292 31.823 -0.058 0.000 0.972 616 V HN 0.874 nan 8.190 nan 0.000 0.484 617 V N 5.381 125.232 119.914 -0.104 0.000 2.432 617 V HA 0.458 4.579 4.120 0.002 0.000 0.271 617 V C 0.170 176.212 176.094 -0.087 0.000 1.046 617 V CA -0.048 62.190 62.300 -0.102 0.000 0.945 617 V CB 0.506 32.261 31.823 -0.114 0.000 0.992 617 V HN 1.190 nan 8.190 nan 0.000 0.471 618 E N 3.439 123.597 120.200 -0.070 0.000 2.296 618 E HA 0.467 4.818 4.350 0.002 0.000 0.224 618 E C 0.712 177.288 176.600 -0.040 0.000 0.949 618 E CA -0.939 55.429 56.400 -0.054 0.000 0.879 618 E CB 0.314 29.987 29.700 -0.044 0.000 1.922 618 E HN 0.012 nan 8.360 nan 0.000 0.437 619 K N 0.653 121.038 120.400 -0.025 0.000 2.030 619 K HA -0.252 4.070 4.320 0.002 0.000 0.222 619 K C 1.592 178.184 176.600 -0.014 0.000 1.056 619 K CA 2.719 58.999 56.287 -0.012 0.000 0.957 619 K CB -0.492 32.008 32.500 -0.001 0.000 0.727 619 K HN 0.459 nan 8.250 nan 0.000 0.452 620 K N -0.759 119.630 120.400 -0.017 0.000 2.281 620 K HA -0.101 4.220 4.320 0.002 0.000 0.203 620 K C 1.953 178.535 176.600 -0.030 0.000 1.046 620 K CA 1.767 58.043 56.287 -0.018 0.000 0.938 620 K CB -0.110 32.378 32.500 -0.020 0.000 0.737 620 K HN 0.327 nan 8.250 nan 0.000 0.458 621 T N -0.418 114.109 114.554 -0.045 0.000 2.837 621 T HA -0.027 4.324 4.350 0.002 0.000 0.248 621 T C 1.704 176.368 174.700 -0.060 0.000 1.033 621 T CA 0.713 62.775 62.100 -0.063 0.000 1.150 621 T CB 0.003 68.820 68.868 -0.085 0.000 0.865 621 T HN 0.033 nan 8.240 nan 0.000 0.425 622 V N 1.350 121.229 119.914 -0.059 0.000 3.528 622 V HA 0.476 4.598 4.120 0.002 0.000 0.294 622 V C 1.043 177.115 176.094 -0.036 0.000 1.404 622 V CA -0.009 62.248 62.300 -0.072 0.000 1.065 622 V CB -0.527 31.244 31.823 -0.087 0.000 0.904 622 V HN 0.496 nan 8.190 nan 0.000 0.435 623 G N 0.335 109.128 108.800 -0.013 0.000 2.621 623 G HA2 0.239 4.200 3.960 0.002 0.000 0.271 623 G HA3 0.239 4.200 3.960 0.002 0.000 0.271 623 G C 0.735 175.654 174.900 0.033 0.000 1.236 623 G CA 0.378 45.487 45.100 0.016 0.000 0.958 623 G HN 0.661 nan 8.290 nan 0.000 0.512 624 S N -0.877 114.852 115.700 0.049 0.000 2.768 624 S HA 0.259 4.730 4.470 0.002 0.000 0.246 624 S C 0.932 175.569 174.600 0.062 0.000 1.006 624 S CA 0.065 58.301 58.200 0.060 0.000 1.075 624 S CB -0.794 62.440 63.200 0.056 0.000 0.786 624 S HN 0.830 nan 8.310 nan 0.000 0.468 625 S N 1.084 116.818 115.700 0.057 0.000 2.614 625 S HA 0.274 4.746 4.470 0.002 0.000 0.265 625 S C 1.013 175.677 174.600 0.106 0.000 1.303 625 S CA -0.396 57.842 58.200 0.064 0.000 1.000 625 S CB 0.508 63.728 63.200 0.034 0.000 0.935 625 S HN 0.371 nan 8.310 nan 0.000 0.551 626 N N 1.556 120.319 118.700 0.106 0.000 2.058 626 N HA -0.017 4.724 4.740 0.002 0.000 0.191 626 N C 1.433 176.946 175.510 0.006 0.000 1.037 626 N CA 1.739 54.869 53.050 0.134 0.000 0.848 626 N CB -0.965 37.567 38.487 0.076 0.000 1.021 626 N HN 0.836 nan 8.380 nan 0.000 0.422 627 G N -0.981 107.802 108.800 -0.028 0.000 3.474 627 G HA2 0.440 4.401 3.960 0.002 0.000 0.269 627 G HA3 0.440 4.401 3.960 0.002 0.000 0.269 627 G C 0.189 175.062 174.900 -0.045 0.000 1.339 627 G CA 0.044 45.102 45.100 -0.070 0.000 1.258 627 G HN 0.477 nan 8.290 nan 0.000 0.560 628 G N -1.124 107.671 108.800 -0.008 0.000 2.735 628 G HA2 0.434 4.395 3.960 0.002 0.000 0.301 628 G HA3 0.434 4.395 3.960 0.002 0.000 0.301 628 G C 0.729 175.630 174.900 0.002 0.000 1.279 628 G CA -0.760 44.338 45.100 -0.003 0.000 1.019 628 G HN 0.125 nan 8.290 nan 0.000 0.497 629 L N -0.482 120.720 121.223 -0.034 0.000 2.017 629 L HA -0.040 4.302 4.340 0.002 0.000 0.208 629 L C 2.699 179.543 176.870 -0.044 0.000 1.073 629 L CA 1.178 55.985 54.840 -0.055 0.000 0.745 629 L CB -0.218 41.783 42.059 -0.096 0.000 0.894 629 L HN 0.548 nan 8.230 nan 0.000 0.432 630 I N -1.022 119.515 120.570 -0.056 0.000 2.252 630 I HA -0.316 3.856 4.170 0.002 0.000 0.245 630 I C 2.568 178.698 176.117 0.022 0.000 1.102 630 I CA 1.181 62.437 61.300 -0.075 0.000 1.385 630 I CB -0.784 37.154 38.000 -0.105 0.000 1.064 630 I HN 0.309 nan 8.210 nan 0.000 0.414 631 H N 0.930 119.984 119.070 -0.027 0.000 2.319 631 H HA -0.148 4.409 4.556 0.003 0.000 0.297 631 H C 2.277 177.597 175.328 -0.012 0.000 1.097 631 H CA 2.158 58.200 56.048 -0.010 0.000 1.285 631 H CB -0.182 29.579 29.762 -0.001 0.000 1.368 631 H HN 0.140 nan 8.280 nan 0.000 0.495 632 V N 0.095 120.110 119.914 0.168 0.000 2.233 632 V HA -0.223 3.899 4.120 0.002 0.000 0.247 632 V C 2.993 179.127 176.094 0.067 0.000 1.050 632 V CA 1.655 64.011 62.300 0.093 0.000 1.010 632 V CB -0.955 30.887 31.823 0.032 0.000 0.637 632 V HN 0.219 nan 8.190 nan 0.000 0.444 633 V N 0.412 120.341 119.914 0.024 0.000 2.594 633 V HA -0.245 3.876 4.120 0.002 0.000 0.253 633 V C 2.472 178.573 176.094 0.012 0.000 1.069 633 V CA 2.446 64.746 62.300 -0.001 0.000 1.082 633 V CB -0.912 30.885 31.823 -0.044 0.000 0.680 633 V HN 0.727 nan 8.190 nan 0.000 0.469 634 T N -0.658 113.907 114.554 0.018 0.000 2.668 634 T HA -0.111 4.241 4.350 0.002 0.000 0.258 634 T C 2.098 176.808 174.700 0.017 0.000 1.051 634 T CA 0.781 62.886 62.100 0.008 0.000 1.155 634 T CB -0.263 68.590 68.868 -0.025 0.000 0.864 634 T HN 0.246 nan 8.240 nan 0.000 0.413 635 R N 0.945 121.466 120.500 0.036 0.000 2.103 635 R HA -0.110 4.231 4.340 0.002 0.000 0.242 635 R C 2.484 178.819 176.300 0.059 0.000 1.142 635 R CA 1.646 57.778 56.100 0.053 0.000 0.960 635 R CB -0.558 29.805 30.300 0.106 0.000 0.858 635 R HN 0.477 nan 8.270 nan 0.000 0.439 636 E N 0.531 120.768 120.200 0.062 0.000 2.015 636 E HA -0.122 4.230 4.350 0.002 0.000 0.191 636 E C 1.802 178.433 176.600 0.052 0.000 0.991 636 E CA 1.431 57.869 56.400 0.062 0.000 0.802 636 E CB 0.191 29.926 29.700 0.058 0.000 0.759 636 E HN 0.021 nan 8.360 nan 0.000 0.447 637 K N -1.142 119.280 120.400 0.037 0.000 2.202 637 K HA 0.260 4.581 4.320 0.002 0.000 0.201 637 K C 0.439 177.056 176.600 0.029 0.000 1.051 637 K CA 0.906 57.211 56.287 0.030 0.000 0.977 637 K CB 1.090 33.601 32.500 0.018 0.000 0.792 637 K HN 0.244 nan 8.250 nan 0.000 0.469 638 G N 0.931 109.746 108.800 0.025 0.000 2.317 638 G HA2 -0.048 3.913 3.960 0.002 0.000 0.445 638 G HA3 -0.048 3.913 3.960 0.002 0.000 0.445 638 G C -2.663 172.246 174.900 0.015 0.000 1.486 638 G CA -0.684 44.428 45.100 0.021 0.000 0.991 638 G HN -0.254 nan 8.290 nan 0.000 0.660 639 P HA -0.091 nan 4.420 nan 0.000 0.216 639 P C 1.546 178.858 177.300 0.020 0.000 1.153 639 P CA 1.256 64.359 63.100 0.006 0.000 0.844 639 P CB 0.147 31.840 31.700 -0.012 0.000 0.787 640 Q N -0.028 119.781 119.800 0.015 0.000 2.077 640 Q HA -0.097 4.244 4.340 0.002 0.000 0.206 640 Q C 2.310 178.330 176.000 0.034 0.000 0.989 640 Q CA 1.302 57.116 55.803 0.019 0.000 0.853 640 Q CB -1.573 27.172 28.738 0.012 0.000 0.907 640 Q HN 0.205 nan 8.270 nan 0.000 0.418 641 V N -0.083 119.850 119.914 0.031 0.000 2.871 641 V HA -0.143 3.978 4.120 0.002 0.000 0.256 641 V C 2.362 178.479 176.094 0.038 0.000 1.082 641 V CA 1.184 63.503 62.300 0.031 0.000 1.105 641 V CB -0.340 31.496 31.823 0.022 0.000 0.713 641 V HN 0.449 nan 8.190 nan 0.000 0.473 642 C N 0.510 119.838 119.300 0.047 0.000 2.486 642 C HA 0.106 4.567 4.460 0.002 0.000 0.279 642 C C 3.062 178.148 174.990 0.161 0.000 1.302 642 C CA 0.715 59.767 59.018 0.055 0.000 1.720 642 C CB -0.936 26.836 27.740 0.054 0.000 2.030 642 C HN 0.547 nan 8.230 nan 0.000 0.490 643 A N 0.256 123.183 122.820 0.178 0.000 1.902 643 A HA -0.183 4.138 4.320 0.002 0.000 0.217 643 A C 2.276 179.995 177.584 0.224 0.000 1.181 643 A CA 1.953 54.133 52.037 0.237 0.000 0.623 643 A CB -0.730 18.319 19.000 0.081 0.000 0.818 643 A HN 0.719 nan 8.150 nan 0.000 0.443 644 K N -0.786 119.690 120.400 0.126 0.000 2.147 644 K HA -0.130 4.191 4.320 0.002 0.000 0.205 644 K C 1.844 178.508 176.600 0.107 0.000 1.049 644 K CA 1.342 57.690 56.287 0.102 0.000 0.936 644 K CB -0.301 32.238 32.500 0.065 0.000 0.722 644 K HN 0.419 nan 8.250 nan 0.000 0.446 645 L N 0.410 121.680 121.223 0.079 0.000 2.187 645 L HA -0.139 4.202 4.340 0.002 0.000 0.213 645 L C 1.555 178.410 176.870 -0.026 0.000 1.100 645 L CA 1.574 56.412 54.840 -0.003 0.000 0.765 645 L CB -0.398 41.611 42.059 -0.083 0.000 0.904 645 L HN 0.076 nan 8.230 nan 0.000 0.437 646 F N 0.192 120.144 119.950 0.003 0.000 2.031 646 F HA -0.032 4.497 4.527 0.003 0.000 0.295 646 F C 2.553 178.357 175.800 0.007 0.000 1.133 646 F CA 1.850 59.852 58.000 0.003 0.000 1.188 646 F CB -1.351 37.653 39.000 0.007 0.000 0.974 646 F HN 0.194 nan 8.300 nan 0.000 0.473 647 G N 0.471 109.414 108.800 0.238 0.000 2.802 647 G HA2 -0.435 3.527 3.960 0.002 0.000 0.222 647 G HA3 -0.435 3.527 3.960 0.002 0.000 0.222 647 G C 1.462 176.412 174.900 0.084 0.000 1.248 647 G CA 1.728 46.907 45.100 0.131 0.000 0.787 647 G HN 0.328 nan 8.290 nan 0.000 0.643 648 N N 0.991 119.733 118.700 0.069 0.000 2.049 648 N HA -0.158 4.584 4.740 0.002 0.000 0.198 648 N C 2.188 177.706 175.510 0.013 0.000 1.030 648 N CA 1.684 54.760 53.050 0.044 0.000 0.870 648 N CB -0.564 37.946 38.487 0.038 0.000 1.045 648 N HN 0.520 nan 8.380 nan 0.000 0.434 649 I N 0.887 121.455 120.570 -0.003 0.000 2.163 649 I HA -0.319 3.852 4.170 0.002 0.000 0.243 649 I C 2.293 178.400 176.117 -0.016 0.000 1.085 649 I CA 1.327 62.609 61.300 -0.031 0.000 1.347 649 I CB -0.423 37.533 38.000 -0.072 0.000 1.044 649 I HN 0.231 nan 8.210 nan 0.000 0.408 650 Q N 1.101 120.908 119.800 0.011 0.000 1.993 650 Q HA -0.226 4.115 4.340 0.002 0.000 0.202 650 Q C 2.264 178.231 176.000 -0.054 0.000 0.984 650 Q CA 1.596 57.401 55.803 0.003 0.000 0.837 650 Q CB -0.216 28.549 28.738 0.044 0.000 0.902 650 Q HN 0.437 nan 8.270 nan 0.000 0.423 651 K N 0.102 120.464 120.400 -0.063 0.000 2.160 651 K HA -0.163 4.159 4.320 0.002 0.000 0.206 651 K C 2.020 178.453 176.600 -0.279 0.000 1.047 651 K CA 1.571 57.745 56.287 -0.188 0.000 0.930 651 K CB -0.110 32.369 32.500 -0.035 0.000 0.720 651 K HN 0.062 nan 8.250 nan 0.000 0.450 652 V N -0.092 119.754 119.914 -0.113 0.000 2.446 652 V HA -0.137 3.984 4.120 0.002 0.000 0.244 652 V C 2.149 178.264 176.094 0.034 0.000 1.039 652 V CA 1.054 63.322 62.300 -0.054 0.000 1.045 652 V CB -0.268 31.546 31.823 -0.016 0.000 0.681 652 V HN 0.031 nan 8.190 nan 0.000 0.459 653 V N 0.861 120.782 119.914 0.011 0.000 2.270 653 V HA -0.216 3.906 4.120 0.002 0.000 0.245 653 V C 2.475 178.616 176.094 0.078 0.000 1.043 653 V CA 2.111 64.446 62.300 0.058 0.000 1.014 653 V CB -0.844 30.983 31.823 0.007 0.000 0.645 653 V HN 0.531 nan 8.190 nan 0.000 0.447 654 N N -0.238 118.453 118.700 -0.016 0.000 2.091 654 N HA -0.230 4.511 4.740 0.002 0.000 0.193 654 N C 1.727 177.172 175.510 -0.108 0.000 1.021 654 N CA 2.020 55.028 53.050 -0.070 0.000 0.862 654 N CB -0.493 37.918 38.487 -0.126 0.000 1.018 654 N HN 0.539 nan 8.380 nan 0.000 0.429 655 F N 0.263 120.031 119.950 -0.304 0.000 2.060 655 F HA -0.155 4.374 4.527 0.002 0.000 0.295 655 F C 2.396 178.162 175.800 -0.056 0.000 1.120 655 F CA 1.360 59.162 58.000 -0.330 0.000 1.205 655 F CB -0.851 37.753 39.000 -0.660 0.000 0.986 655 F HN 0.105 nan 8.300 nan 0.000 0.470 656 W N 0.999 122.207 121.300 -0.154 0.000 2.290 656 W HA -0.316 4.346 4.660 0.002 0.000 0.318 656 W C 2.198 178.601 176.519 -0.192 0.000 1.248 656 W CA 2.588 59.840 57.345 -0.156 0.000 1.263 656 W CB -0.802 28.628 29.460 -0.049 0.000 1.147 656 W HN 0.231 nan 8.180 nan 0.000 0.494 657 L N 0.246 121.410 121.223 -0.098 0.000 2.093 657 L HA -0.105 4.236 4.340 0.002 0.000 0.208 657 L C 2.435 179.085 176.870 -0.368 0.000 1.085 657 L CA 1.806 56.501 54.840 -0.241 0.000 0.755 657 L CB -1.082 40.980 42.059 0.005 0.000 0.904 657 L HN 0.167 nan 8.230 nan 0.000 0.435 658 L N -1.130 119.848 121.223 -0.408 0.000 2.127 658 L HA -0.240 4.102 4.340 0.002 0.000 0.211 658 L C 2.098 178.586 176.870 -0.637 0.000 1.089 658 L CA 1.896 56.432 54.840 -0.506 0.000 0.757 658 L CB -0.674 41.025 42.059 -0.599 0.000 0.899 658 L HN 0.416 nan 8.230 nan 0.000 0.434 659 H N -2.292 116.474 119.070 -0.507 0.000 2.648 659 H HA 0.152 4.709 4.556 0.002 0.000 0.265 659 H C 1.512 176.541 175.328 -0.499 0.000 0.961 659 H CA 0.751 56.516 56.048 -0.472 0.000 1.185 659 H CB 0.213 29.657 29.762 -0.529 0.000 1.449 659 H HN 0.461 nan 8.280 nan 0.000 0.523 660 N N 0.366 118.700 118.700 -0.610 0.000 2.305 660 N HA 0.052 4.793 4.740 0.002 0.000 0.179 660 N C 0.378 175.701 175.510 -0.311 0.000 1.019 660 N CA 0.999 53.689 53.050 -0.601 0.000 0.869 660 N CB 0.748 38.530 38.487 -1.175 0.000 1.000 660 N HN 0.360 nan 8.380 nan 0.000 0.431 661 G N -0.517 108.126 108.800 -0.261 0.000 2.722 661 G HA2 -0.126 3.835 3.960 0.002 0.000 0.686 661 G HA3 -0.126 3.835 3.960 0.002 0.000 0.686 661 G C -1.081 173.853 174.900 0.058 0.000 1.282 661 G CA -0.154 44.885 45.100 -0.101 0.000 0.817 661 G HN 0.352 nan 8.290 nan 0.000 0.605 662 F N 1.236 121.132 119.950 -0.090 0.000 2.641 662 F HA 0.827 5.355 4.527 0.002 0.000 0.308 662 F C -0.034 175.744 175.800 -0.037 0.000 1.105 662 F CA 0.102 58.074 58.000 -0.047 0.000 0.964 662 F CB 2.022 41.010 39.000 -0.021 0.000 1.294 662 F HN 1.106 nan 8.300 nan 0.000 0.442 663 S N 1.067 116.200 115.700 -0.946 0.000 2.880 663 S HA 0.905 5.376 4.470 0.002 0.000 0.308 663 S C -1.701 172.460 174.600 -0.731 0.000 1.195 663 S CA -0.405 57.421 58.200 -0.624 0.000 0.866 663 S CB 1.939 64.959 63.200 -0.301 0.000 1.254 663 S HN 0.786 nan 8.310 nan 0.000 0.571 664 T N 0.657 114.987 114.554 -0.374 0.000 3.933 664 T HA 0.564 4.916 4.350 0.002 0.000 0.379 664 T C -0.422 174.186 174.700 -0.152 0.000 1.232 664 T CA -0.358 61.586 62.100 -0.259 0.000 1.122 664 T CB 1.023 69.763 68.868 -0.213 0.000 1.239 664 T HN 0.862 nan 8.240 nan 0.000 0.475 665 G N 0.748 109.482 108.800 -0.111 0.000 2.735 665 G HA2 0.630 4.592 3.960 0.002 0.000 0.301 665 G HA3 0.630 4.592 3.960 0.002 0.000 0.301 665 G C 0.820 175.688 174.900 -0.053 0.000 1.279 665 G CA -1.031 44.024 45.100 -0.074 0.000 1.019 665 G HN 0.734 nan 8.290 nan 0.000 0.497 666 I N -1.539 119.007 120.570 -0.040 0.000 3.111 666 I HA 0.193 4.365 4.170 0.002 0.000 0.272 666 I C 2.143 178.248 176.117 -0.020 0.000 1.268 666 I CA 0.778 62.061 61.300 -0.027 0.000 1.467 666 I CB -0.477 37.510 38.000 -0.021 0.000 1.087 666 I HN 0.406 nan 8.210 nan 0.000 0.467 667 G N 0.377 109.163 108.800 -0.023 0.000 2.598 667 G HA2 -0.128 3.833 3.960 0.002 0.000 0.215 667 G HA3 -0.128 3.833 3.960 0.002 0.000 0.215 667 G C 1.139 176.032 174.900 -0.010 0.000 1.131 667 G CA 0.475 45.566 45.100 -0.015 0.000 0.785 667 G HN 0.386 nan 8.290 nan 0.000 0.539 668 D N -0.007 120.383 120.400 -0.016 0.000 2.348 668 D HA -0.017 4.624 4.640 0.002 0.000 0.211 668 D C 2.208 178.508 176.300 0.000 0.000 0.998 668 D CA 1.236 55.231 54.000 -0.007 0.000 0.873 668 D CB 0.299 41.088 40.800 -0.019 0.000 0.925 668 D HN 0.469 nan 8.370 nan 0.000 0.524 669 T N -1.967 112.585 114.554 -0.003 0.000 3.132 669 T HA 0.220 4.572 4.350 0.002 0.000 0.274 669 T C 0.652 175.356 174.700 0.007 0.000 1.011 669 T CA -0.375 61.727 62.100 0.003 0.000 0.899 669 T CB 0.335 69.204 68.868 0.002 0.000 1.089 669 T HN -0.162 nan 8.240 nan 0.000 0.543 670 I N 3.252 123.825 120.570 0.005 0.000 2.308 670 I HA 0.529 4.700 4.170 0.002 0.000 0.293 670 I C 0.791 176.915 176.117 0.011 0.000 1.078 670 I CA -0.819 60.485 61.300 0.007 0.000 1.292 670 I CB -0.204 37.798 38.000 0.004 0.000 1.423 670 I HN 0.326 nan 8.210 nan 0.000 0.493 671 A N 5.462 128.290 122.820 0.013 0.000 2.293 671 A HA 0.294 4.616 4.320 0.002 0.000 0.302 671 A C 0.090 177.684 177.584 0.017 0.000 1.119 671 A CA -0.559 51.488 52.037 0.017 0.000 0.823 671 A CB 0.442 19.453 19.000 0.019 0.000 1.097 671 A HN 0.640 nan 8.150 nan 0.000 0.491 672 D N 0.661 121.073 120.400 0.019 0.000 2.478 672 D HA 0.257 4.898 4.640 0.002 0.000 0.234 672 D C 1.620 177.929 176.300 0.016 0.000 1.154 672 D CA 1.465 55.476 54.000 0.018 0.000 0.874 672 D CB 0.891 41.703 40.800 0.020 0.000 1.198 672 D HN 0.518 nan 8.370 nan 0.000 0.455 673 G N 3.108 111.916 108.800 0.014 0.000 2.639 673 G HA2 -0.183 3.779 3.960 0.002 0.000 0.216 673 G HA3 -0.183 3.779 3.960 0.002 0.000 0.216 673 G C -0.966 173.943 174.900 0.014 0.000 1.267 673 G CA 0.578 45.686 45.100 0.013 0.000 0.801 673 G HN 0.600 nan 8.290 nan 0.000 0.592 674 P HA 0.072 nan 4.420 nan 0.000 0.251 674 P C 0.791 178.102 177.300 0.018 0.000 1.251 674 P CA 1.014 64.123 63.100 0.015 0.000 0.763 674 P CB 0.014 31.723 31.700 0.014 0.000 1.067 675 T N -1.880 112.686 114.554 0.020 0.000 3.039 675 T HA 0.135 4.487 4.350 0.002 0.000 0.250 675 T C 1.711 176.426 174.700 0.024 0.000 1.052 675 T CA 0.442 62.557 62.100 0.024 0.000 1.125 675 T CB -0.177 68.707 68.868 0.027 0.000 0.908 675 T HN -0.043 nan 8.240 nan 0.000 0.473 676 M N 1.109 120.721 119.600 0.020 0.000 2.349 676 M HA 0.232 4.714 4.480 0.002 0.000 0.266 676 M C 2.207 178.519 176.300 0.019 0.000 1.076 676 M CA 0.823 56.134 55.300 0.019 0.000 1.126 676 M CB -0.859 31.750 32.600 0.015 0.000 1.392 676 M HN 0.145 nan 8.290 nan 0.000 0.440 677 R N 0.362 120.873 120.500 0.018 0.000 2.090 677 R HA -0.151 4.191 4.340 0.002 0.000 0.228 677 R C 2.028 178.340 176.300 0.019 0.000 1.110 677 R CA 1.570 57.681 56.100 0.017 0.000 0.973 677 R CB 0.049 30.358 30.300 0.015 0.000 0.869 677 R HN 0.434 nan 8.270 nan 0.000 0.440 678 E N 0.077 120.290 120.200 0.021 0.000 2.170 678 E HA -0.087 4.265 4.350 0.002 0.000 0.191 678 E C 1.887 178.503 176.600 0.027 0.000 0.981 678 E CA 0.528 56.941 56.400 0.022 0.000 0.830 678 E CB 0.047 29.760 29.700 0.022 0.000 0.775 678 E HN 0.358 nan 8.360 nan 0.000 0.470 679 I N 0.871 121.459 120.570 0.030 0.000 2.286 679 I HA -0.252 3.920 4.170 0.002 0.000 0.248 679 I C 2.181 178.322 176.117 0.039 0.000 1.115 679 I CA 1.283 62.605 61.300 0.037 0.000 1.392 679 I CB -0.138 37.883 38.000 0.035 0.000 1.065 679 I HN 0.203 nan 8.210 nan 0.000 0.418 680 T N 0.584 115.158 114.554 0.034 0.000 2.674 680 T HA -0.217 4.134 4.350 0.002 0.000 0.265 680 T C 1.478 176.199 174.700 0.034 0.000 1.039 680 T CA 1.633 63.755 62.100 0.037 0.000 1.150 680 T CB -0.425 68.461 68.868 0.031 0.000 0.864 680 T HN 0.575 nan 8.240 nan 0.000 0.427 681 E N 1.069 121.284 120.200 0.026 0.000 2.533 681 E HA -0.065 4.286 4.350 0.002 0.000 0.203 681 E C 1.082 177.692 176.600 0.016 0.000 1.101 681 E CA 0.813 57.224 56.400 0.019 0.000 0.894 681 E CB -0.427 29.281 29.700 0.014 0.000 0.843 681 E HN 0.402 nan 8.360 nan 0.000 0.552 682 T N 0.421 114.991 114.554 0.025 0.000 3.042 682 T HA 0.109 4.461 4.350 0.002 0.000 0.245 682 T C 1.706 176.422 174.700 0.028 0.000 1.029 682 T CA -0.086 62.028 62.100 0.025 0.000 1.120 682 T CB 0.176 69.066 68.868 0.037 0.000 0.917 682 T HN 0.106 nan 8.240 nan 0.000 0.467 683 I N 2.309 122.909 120.570 0.049 0.000 2.353 683 I HA 0.038 4.210 4.170 0.002 0.000 0.248 683 I C 2.934 179.066 176.117 0.025 0.000 1.119 683 I CA 0.860 62.198 61.300 0.064 0.000 1.417 683 I CB -1.618 36.465 38.000 0.137 0.000 1.078 683 I HN 0.170 nan 8.210 nan 0.000 0.421 684 A N 1.677 124.512 122.820 0.026 0.000 1.908 684 A HA -0.229 4.092 4.320 0.002 0.000 0.218 684 A C 2.206 179.783 177.584 -0.012 0.000 1.181 684 A CA 1.979 54.023 52.037 0.013 0.000 0.627 684 A CB -0.764 18.247 19.000 0.017 0.000 0.818 684 A HN 0.676 nan 8.150 nan 0.000 0.445 685 E N -0.575 119.612 120.200 -0.022 0.000 2.285 685 E HA 0.158 4.510 4.350 0.002 0.000 0.194 685 E C 1.515 178.065 176.600 -0.084 0.000 0.997 685 E CA 0.782 57.154 56.400 -0.047 0.000 0.845 685 E CB -0.207 29.467 29.700 -0.044 0.000 0.782 685 E HN 0.473 nan 8.360 nan 0.000 0.491 686 A N 0.729 123.500 122.820 -0.083 0.000 2.308 686 A HA 0.110 4.431 4.320 0.002 0.000 0.217 686 A C 1.781 179.290 177.584 -0.125 0.000 1.216 686 A CA -0.157 51.804 52.037 -0.127 0.000 0.864 686 A CB 0.094 19.030 19.000 -0.106 0.000 0.902 686 A HN -0.049 nan 8.150 nan 0.000 0.499 687 K N 0.653 121.002 120.400 -0.085 0.000 2.044 687 K HA 0.035 4.357 4.320 0.002 0.000 0.204 687 K C 1.461 178.035 176.600 -0.043 0.000 1.045 687 K CA 0.948 57.197 56.287 -0.064 0.000 0.951 687 K CB -0.299 32.188 32.500 -0.021 0.000 0.738 687 K HN 0.343 nan 8.250 nan 0.000 0.443 688 K N 1.222 121.599 120.400 -0.039 0.000 2.280 688 K HA -0.120 4.201 4.320 0.002 0.000 0.202 688 K C 1.883 178.448 176.600 -0.058 0.000 1.047 688 K CA 0.788 57.056 56.287 -0.033 0.000 0.942 688 K CB 0.054 32.537 32.500 -0.028 0.000 0.739 688 K HN 0.063 nan 8.250 nan 0.000 0.457 689 K N 0.891 121.221 120.400 -0.117 0.000 2.487 689 K HA -0.010 4.311 4.320 0.002 0.000 0.192 689 K C 1.308 177.839 176.600 -0.115 0.000 1.027 689 K CA 0.299 56.459 56.287 -0.212 0.000 1.054 689 K CB 0.485 32.731 32.500 -0.424 0.000 0.824 689 K HN -0.086 nan 8.250 nan 0.000 0.510 690 V N 0.882 120.786 119.914 -0.016 0.000 3.212 690 V HA -0.086 4.036 4.120 0.002 0.000 0.244 690 V C 1.830 177.990 176.094 0.110 0.000 1.151 690 V CA 0.257 62.605 62.300 0.079 0.000 1.119 690 V CB 0.266 32.104 31.823 0.026 0.000 0.838 690 V HN 0.343 nan 8.190 nan 0.000 0.470 691 L N 0.429 121.690 121.223 0.064 0.000 2.131 691 L HA -0.173 4.169 4.340 0.002 0.000 0.210 691 L C 1.930 178.846 176.870 0.077 0.000 1.092 691 L CA 2.216 57.100 54.840 0.074 0.000 0.759 691 L CB -0.649 41.435 42.059 0.043 0.000 0.903 691 L HN 0.364 nan 8.230 nan 0.000 0.435 692 D N -0.679 119.757 120.400 0.061 0.000 2.120 692 D HA -0.093 4.549 4.640 0.002 0.000 0.202 692 D C 2.318 178.677 176.300 0.099 0.000 0.972 692 D CA 1.052 55.087 54.000 0.057 0.000 0.837 692 D CB -0.096 40.718 40.800 0.024 0.000 0.989 692 D HN 0.165 nan 8.370 nan 0.000 0.469 693 V N 1.349 121.354 119.914 0.151 0.000 2.392 693 V HA -0.253 3.868 4.120 0.002 0.000 0.249 693 V C 2.413 178.690 176.094 0.304 0.000 1.059 693 V CA 2.007 64.449 62.300 0.236 0.000 1.051 693 V CB -0.882 31.130 31.823 0.316 0.000 0.658 693 V HN 0.243 nan 8.190 nan 0.000 0.455 694 T N -0.769 113.995 114.554 0.349 0.000 2.746 694 T HA -0.255 4.097 4.350 0.002 0.000 0.267 694 T C 1.953 176.657 174.700 0.007 0.000 1.039 694 T CA 1.699 63.923 62.100 0.208 0.000 1.142 694 T CB -0.198 68.812 68.868 0.237 0.000 0.866 694 T HN 0.411 nan 8.240 nan 0.000 0.444 695 K N 0.635 121.062 120.400 0.046 0.000 2.217 695 K HA -0.055 4.266 4.320 0.002 0.000 0.202 695 K C 2.410 179.009 176.600 -0.002 0.000 1.051 695 K CA 0.944 57.237 56.287 0.011 0.000 0.952 695 K CB 0.017 32.533 32.500 0.025 0.000 0.736 695 K HN 0.431 nan 8.250 nan 0.000 0.453 696 E N -0.019 120.195 120.200 0.022 0.000 2.047 696 E HA -0.153 4.198 4.350 0.002 0.000 0.191 696 E C 1.645 178.233 176.600 -0.019 0.000 0.987 696 E CA 1.035 57.446 56.400 0.017 0.000 0.799 696 E CB -0.062 29.669 29.700 0.052 0.000 0.752 696 E HN 0.341 nan 8.360 nan 0.000 0.449 697 A N 0.419 123.209 122.820 -0.051 0.000 2.121 697 A HA -0.142 4.180 4.320 0.002 0.000 0.218 697 A C 1.897 179.374 177.584 -0.179 0.000 1.154 697 A CA 1.019 52.976 52.037 -0.134 0.000 0.679 697 A CB -0.234 18.600 19.000 -0.278 0.000 0.795 697 A HN 0.316 nan 8.150 nan 0.000 0.458 698 Q N -1.251 118.455 119.800 -0.157 0.000 2.398 698 Q HA 0.210 4.551 4.340 0.002 0.000 0.204 698 Q C 1.224 177.175 176.000 -0.082 0.000 0.932 698 Q CA 0.638 56.357 55.803 -0.140 0.000 0.916 698 Q CB 0.072 28.737 28.738 -0.120 0.000 1.024 698 Q HN 0.587 nan 8.270 nan 0.000 0.504 699 A N 0.847 123.631 122.820 -0.059 0.000 2.708 699 A HA 0.129 4.450 4.320 0.002 0.000 0.293 699 A C 0.138 177.703 177.584 -0.031 0.000 1.303 699 A CA -0.409 51.607 52.037 -0.036 0.000 0.949 699 A CB -0.041 18.947 19.000 -0.020 0.000 1.121 699 A HN 0.243 nan 8.150 nan 0.000 0.542 700 N N -0.369 118.305 118.700 -0.043 0.000 2.677 700 N HA -0.180 4.561 4.740 0.002 0.000 0.249 700 N C 0.578 176.077 175.510 -0.019 0.000 1.073 700 N CA 1.036 54.065 53.050 -0.035 0.000 0.737 700 N CB -1.126 37.343 38.487 -0.030 0.000 0.999 700 N HN 0.655 nan 8.380 nan 0.000 0.543 701 L N -1.242 119.974 121.223 -0.013 0.000 2.463 701 L HA 0.135 4.477 4.340 0.002 0.000 0.219 701 L C 1.098 177.975 176.870 0.010 0.000 1.088 701 L CA -0.207 54.633 54.840 0.001 0.000 0.849 701 L CB 0.024 42.087 42.059 0.006 0.000 1.012 701 L HN 0.163 nan 8.230 nan 0.000 0.468 702 L N 2.076 123.305 121.223 0.009 0.000 2.562 702 L HA 0.032 4.374 4.340 0.002 0.000 0.271 702 L C 0.021 176.903 176.870 0.021 0.000 1.167 702 L CA 0.925 55.780 54.840 0.026 0.000 0.917 702 L CB 0.527 42.602 42.059 0.028 0.000 1.187 702 L HN 0.132 nan 8.230 nan 0.000 0.482 703 T N 4.410 118.982 114.554 0.030 0.000 2.901 703 T HA 0.361 4.713 4.350 0.002 0.000 0.301 703 T C 0.440 175.158 174.700 0.029 0.000 1.012 703 T CA -0.494 61.622 62.100 0.027 0.000 1.135 703 T CB 0.961 69.849 68.868 0.033 0.000 0.936 703 T HN 0.747 nan 8.240 nan 0.000 0.539 704 A N 3.663 126.495 122.820 0.020 0.000 2.320 704 A HA 0.420 4.742 4.320 0.002 0.000 0.287 704 A C 0.431 178.031 177.584 0.027 0.000 1.181 704 A CA -0.727 51.320 52.037 0.017 0.000 0.831 704 A CB 0.118 19.117 19.000 -0.001 0.000 1.102 704 A HN 0.820 nan 8.150 nan 0.000 0.513 705 K N 1.055 121.476 120.400 0.036 0.000 2.440 705 K HA 0.040 4.362 4.320 0.002 0.000 0.270 705 K C 0.168 176.806 176.600 0.063 0.000 0.980 705 K CA 0.209 56.532 56.287 0.060 0.000 0.953 705 K CB 0.177 32.711 32.500 0.057 0.000 0.925 705 K HN 0.856 nan 8.250 nan 0.000 0.497 706 H N -0.021 119.062 119.070 0.022 0.000 2.964 706 H HA 0.097 4.655 4.556 0.002 0.000 0.328 706 H C 1.222 176.562 175.328 0.021 0.000 1.030 706 H CA 1.874 57.932 56.048 0.018 0.000 1.445 706 H CB 0.370 30.142 29.762 0.016 0.000 1.449 706 H HN 0.715 nan 8.280 nan 0.000 0.581 707 G N 3.616 112.138 108.800 -0.463 0.000 2.383 707 G HA2 -0.293 3.668 3.960 0.002 0.000 0.229 707 G HA3 -0.293 3.668 3.960 0.002 0.000 0.229 707 G C 0.335 175.175 174.900 -0.100 0.000 1.089 707 G CA 0.289 45.255 45.100 -0.223 0.000 0.640 707 G HN 0.777 nan 8.290 nan 0.000 0.510 708 M N 1.338 120.906 119.600 -0.053 0.000 2.359 708 M HA 0.704 5.186 4.480 0.002 0.000 0.322 708 M C 0.475 176.758 176.300 -0.028 0.000 1.166 708 M CA -0.437 54.850 55.300 -0.023 0.000 1.067 708 M CB 0.809 33.411 32.600 0.003 0.000 1.523 708 M HN 0.037 nan 8.290 nan 0.000 0.467 709 T N 1.487 116.034 114.554 -0.012 0.000 2.855 709 T HA 0.065 4.416 4.350 0.002 0.000 0.314 709 T C 1.054 175.756 174.700 0.002 0.000 1.077 709 T CA -0.527 61.569 62.100 -0.007 0.000 1.095 709 T CB 0.812 69.684 68.868 0.007 0.000 0.987 709 T HN 0.675 nan 8.240 nan 0.000 0.546 710 L N 1.375 122.596 121.223 -0.003 0.000 2.046 710 L HA -0.062 4.280 4.340 0.002 0.000 0.208 710 L C 2.752 179.633 176.870 0.019 0.000 1.077 710 L CA 1.744 56.584 54.840 0.000 0.000 0.747 710 L CB -0.320 41.727 42.059 -0.020 0.000 0.896 710 L HN 0.522 nan 8.230 nan 0.000 0.432 711 R N -0.593 119.916 120.500 0.015 0.000 2.066 711 R HA -0.146 4.196 4.340 0.002 0.000 0.232 711 R C 2.185 178.548 176.300 0.105 0.000 1.131 711 R CA 1.784 57.911 56.100 0.045 0.000 0.955 711 R CB -0.290 30.032 30.300 0.036 0.000 0.851 711 R HN 0.486 nan 8.270 nan 0.000 0.432 712 E N 0.054 120.295 120.200 0.068 0.000 2.160 712 E HA -0.165 4.186 4.350 0.002 0.000 0.195 712 E C 1.784 178.410 176.600 0.044 0.000 0.991 712 E CA 1.577 58.012 56.400 0.057 0.000 0.810 712 E CB -0.006 29.714 29.700 0.033 0.000 0.742 712 E HN 0.338 nan 8.360 nan 0.000 0.466 713 S N -0.209 115.522 115.700 0.051 0.000 2.562 713 S HA -0.053 4.418 4.470 0.002 0.000 0.221 713 S C 1.571 176.207 174.600 0.059 0.000 0.975 713 S CA -0.054 58.165 58.200 0.033 0.000 0.918 713 S CB -0.136 63.084 63.200 0.033 0.000 0.772 713 S HN 0.294 nan 8.310 nan 0.000 0.531 714 F N 2.475 122.394 119.950 -0.053 0.000 2.262 714 F HA 0.253 4.781 4.527 0.003 0.000 0.292 714 F C 2.290 178.054 175.800 -0.060 0.000 1.081 714 F CA 0.954 58.918 58.000 -0.060 0.000 1.355 714 F CB -0.194 38.761 39.000 -0.074 0.000 1.069 714 F HN 0.046 nan 8.300 nan 0.000 0.506 715 E N 0.611 120.751 120.200 -0.101 0.000 2.058 715 E HA -0.280 4.072 4.350 0.002 0.000 0.194 715 E C 1.806 178.269 176.600 -0.228 0.000 0.997 715 E CA 1.799 58.096 56.400 -0.170 0.000 0.801 715 E CB -0.734 28.963 29.700 -0.005 0.000 0.746 715 E HN 0.507 nan 8.360 nan 0.000 0.450 716 D N 0.428 120.731 120.400 -0.161 0.000 2.116 716 D HA -0.164 4.477 4.640 0.002 0.000 0.193 716 D C 1.687 177.794 176.300 -0.322 0.000 0.998 716 D CA 1.356 55.248 54.000 -0.181 0.000 0.836 716 D CB -0.085 40.644 40.800 -0.117 0.000 0.951 716 D HN 0.009 nan 8.370 nan 0.000 0.449 717 N N -0.636 117.824 118.700 -0.400 0.000 2.069 717 N HA -0.123 4.618 4.740 0.002 0.000 0.191 717 N C 1.831 176.816 175.510 -0.876 0.000 1.031 717 N CA 0.903 53.541 53.050 -0.686 0.000 0.852 717 N CB -0.425 37.789 38.487 -0.455 0.000 1.018 717 N HN 0.129 nan 8.380 nan 0.000 0.423 718 V N 0.092 119.650 119.914 -0.593 0.000 2.283 718 V HA -0.129 3.993 4.120 0.002 0.000 0.243 718 V C 2.345 178.271 176.094 -0.279 0.000 1.039 718 V CA 1.024 63.083 62.300 -0.403 0.000 1.016 718 V CB -0.565 30.961 31.823 -0.495 0.000 0.650 718 V HN 0.062 nan 8.190 nan 0.000 0.449 719 V N 0.047 119.808 119.914 -0.256 0.000 2.317 719 V HA -0.340 3.782 4.120 0.002 0.000 0.251 719 V C 2.571 178.588 176.094 -0.129 0.000 1.065 719 V CA 2.572 64.781 62.300 -0.153 0.000 1.049 719 V CB -0.789 30.963 31.823 -0.119 0.000 0.651 719 V HN 0.461 nan 8.190 nan 0.000 0.450 720 R N -1.140 119.233 120.500 -0.210 0.000 2.148 720 R HA -0.044 4.298 4.340 0.002 0.000 0.223 720 R C 2.206 178.481 176.300 -0.042 0.000 1.088 720 R CA 1.240 57.246 56.100 -0.157 0.000 0.985 720 R CB -0.190 29.972 30.300 -0.230 0.000 0.880 720 R HN 0.554 nan 8.270 nan 0.000 0.451 721 F N -0.174 119.716 119.950 -0.100 0.000 2.558 721 F HA -0.066 4.463 4.527 0.002 0.000 0.298 721 F C 1.744 177.462 175.800 -0.137 0.000 1.119 721 F CA 0.199 58.134 58.000 -0.107 0.000 1.451 721 F CB 0.281 39.204 39.000 -0.127 0.000 1.091 721 F HN 0.030 nan 8.300 nan 0.000 0.563 722 L N -0.960 120.267 121.223 0.007 0.000 2.408 722 L HA 0.001 4.343 4.340 0.002 0.000 0.215 722 L C 1.719 178.629 176.870 0.066 0.000 1.081 722 L CA 0.156 54.924 54.840 -0.120 0.000 0.840 722 L CB -0.419 41.418 42.059 -0.370 0.000 1.002 722 L HN -0.009 nan 8.230 nan 0.000 0.468 723 N N 0.658 119.401 118.700 0.071 0.000 2.188 723 N HA -0.161 4.580 4.740 0.002 0.000 0.184 723 N C 1.345 176.919 175.510 0.107 0.000 1.018 723 N CA 1.118 54.228 53.050 0.100 0.000 0.858 723 N CB 0.010 38.535 38.487 0.064 0.000 0.989 723 N HN 0.336 nan 8.380 nan 0.000 0.426 724 E N -0.385 119.874 120.200 0.098 0.000 2.494 724 E HA 0.173 4.524 4.350 0.002 0.000 0.193 724 E C 0.928 177.584 176.600 0.094 0.000 1.074 724 E CA -0.088 56.372 56.400 0.100 0.000 0.867 724 E CB 0.225 29.991 29.700 0.110 0.000 0.924 724 E HN 0.323 nan 8.360 nan 0.000 0.502 725 A N 0.368 123.246 122.820 0.097 0.000 2.108 725 A HA 0.064 4.386 4.320 0.002 0.000 0.206 725 A C 1.913 179.578 177.584 0.136 0.000 1.212 725 A CA 0.010 52.100 52.037 0.088 0.000 0.843 725 A CB 0.106 19.130 19.000 0.041 0.000 0.902 725 A HN 0.057 nan 8.150 nan 0.000 0.477 726 R N 0.415 121.019 120.500 0.173 0.000 2.066 726 R HA -0.143 4.198 4.340 0.002 0.000 0.232 726 R C 1.057 177.450 176.300 0.156 0.000 1.131 726 R CA 1.999 58.197 56.100 0.163 0.000 0.955 726 R CB -0.287 30.106 30.300 0.156 0.000 0.851 726 R HN 0.347 nan 8.270 nan 0.000 0.432 727 D N 0.512 121.023 120.400 0.186 0.000 2.117 727 D HA -0.157 4.484 4.640 0.002 0.000 0.198 727 D C 1.732 178.167 176.300 0.225 0.000 0.982 727 D CA 1.187 55.350 54.000 0.272 0.000 0.828 727 D CB -0.183 40.743 40.800 0.210 0.000 0.967 727 D HN 0.144 nan 8.370 nan 0.000 0.464 728 K N 1.007 121.491 120.400 0.139 0.000 2.063 728 K HA -0.087 4.234 4.320 0.002 0.000 0.208 728 K C 1.863 178.530 176.600 0.112 0.000 1.048 728 K CA 1.429 57.777 56.287 0.102 0.000 0.928 728 K CB -0.293 32.248 32.500 0.068 0.000 0.713 728 K HN 0.055 nan 8.250 nan 0.000 0.442 729 A N 0.030 122.920 122.820 0.116 0.000 1.873 729 A HA 0.017 4.338 4.320 0.002 0.000 0.215 729 A C 2.411 180.062 177.584 0.112 0.000 1.186 729 A CA 1.751 53.846 52.037 0.097 0.000 0.616 729 A CB -1.415 17.635 19.000 0.083 0.000 0.823 729 A HN 0.483 nan 8.150 nan 0.000 0.442 730 G N -0.448 108.440 108.800 0.147 0.000 2.480 730 G HA2 -0.264 3.697 3.960 0.002 0.000 0.216 730 G HA3 -0.264 3.697 3.960 0.002 0.000 0.216 730 G C 1.607 176.720 174.900 0.355 0.000 1.200 730 G CA 0.879 46.064 45.100 0.142 0.000 0.782 730 G HN 0.517 nan 8.290 nan 0.000 0.554 731 R N -0.276 120.526 120.500 0.503 0.000 2.357 731 R HA 0.207 4.549 4.340 0.002 0.000 0.202 731 R C 2.076 178.473 176.300 0.162 0.000 1.047 731 R CA 0.041 56.322 56.100 0.301 0.000 1.034 731 R CB -0.188 30.146 30.300 0.056 0.000 0.875 731 R HN 0.355 nan 8.270 nan 0.000 0.473 732 L N -1.181 120.130 121.223 0.147 0.000 2.408 732 L HA 0.128 4.470 4.340 0.002 0.000 0.215 732 L C 2.060 178.981 176.870 0.086 0.000 1.081 732 L CA 0.313 55.209 54.840 0.093 0.000 0.840 732 L CB 0.041 42.144 42.059 0.073 0.000 1.002 732 L HN 0.146 nan 8.230 nan 0.000 0.468 733 A N -0.357 122.522 122.820 0.098 0.000 1.898 733 A HA -0.210 4.112 4.320 0.002 0.000 0.214 733 A C 2.054 179.694 177.584 0.094 0.000 1.183 733 A CA 1.377 53.459 52.037 0.074 0.000 0.622 733 A CB -0.366 18.661 19.000 0.046 0.000 0.824 733 A HN 0.438 nan 8.150 nan 0.000 0.444 734 E N -0.125 120.169 120.200 0.156 0.000 2.130 734 E HA -0.165 4.187 4.350 0.002 0.000 0.196 734 E C 1.688 178.353 176.600 0.109 0.000 0.998 734 E CA 1.535 58.038 56.400 0.171 0.000 0.806 734 E CB -0.158 29.725 29.700 0.306 0.000 0.738 734 E HN 0.272 nan 8.360 nan 0.000 0.459 735 V N 1.206 121.174 119.914 0.091 0.000 2.515 735 V HA -0.202 3.920 4.120 0.002 0.000 0.250 735 V C 2.103 178.228 176.094 0.051 0.000 1.058 735 V CA 1.918 64.254 62.300 0.060 0.000 1.064 735 V CB -0.582 31.270 31.823 0.049 0.000 0.675 735 V HN 0.387 nan 8.190 nan 0.000 0.461 736 N N -0.386 118.346 118.700 0.054 0.000 2.416 736 N HA 0.004 4.745 4.740 0.002 0.000 0.177 736 N C 0.564 176.099 175.510 0.042 0.000 1.036 736 N CA 0.347 53.422 53.050 0.043 0.000 0.901 736 N CB -0.113 38.399 38.487 0.040 0.000 0.976 736 N HN 0.418 nan 8.380 nan 0.000 0.444 737 L N 2.192 123.444 121.223 0.049 0.000 2.418 737 L HA 0.118 4.460 4.340 0.002 0.000 0.274 737 L C 0.596 177.493 176.870 0.046 0.000 1.135 737 L CA -0.244 54.624 54.840 0.047 0.000 0.870 737 L CB 0.649 42.741 42.059 0.055 0.000 1.154 737 L HN 0.184 nan 8.230 nan 0.000 0.462 738 K N 2.077 122.502 120.400 0.041 0.000 2.234 738 K HA -0.032 4.289 4.320 0.002 0.000 0.251 738 K C 0.236 176.863 176.600 0.046 0.000 1.011 738 K CA -0.510 55.801 56.287 0.040 0.000 0.889 738 K CB 0.643 33.164 32.500 0.036 0.000 1.011 738 K HN 0.452 nan 8.250 nan 0.000 0.505 739 D N 0.634 121.060 120.400 0.043 0.000 2.317 739 D HA -0.042 4.599 4.640 0.002 0.000 0.211 739 D C 1.295 177.630 176.300 0.058 0.000 0.966 739 D CA 0.712 54.739 54.000 0.046 0.000 0.876 739 D CB 0.031 40.852 40.800 0.036 0.000 0.927 739 D HN 0.366 nan 8.370 nan 0.000 0.519 740 L N -1.473 119.786 121.223 0.059 0.000 2.592 740 L HA 0.273 4.614 4.340 0.002 0.000 0.227 740 L C 0.375 177.295 176.870 0.083 0.000 1.127 740 L CA -0.198 54.686 54.840 0.074 0.000 0.884 740 L CB -0.841 41.254 42.059 0.059 0.000 1.065 740 L HN -0.260 nan 8.230 nan 0.000 0.457 741 N N 1.105 119.850 118.700 0.075 0.000 2.405 741 N HA 0.047 4.789 4.740 0.002 0.000 0.260 741 N C 0.960 176.536 175.510 0.109 0.000 1.152 741 N CA -0.105 52.988 53.050 0.071 0.000 0.948 741 N CB 0.332 38.853 38.487 0.056 0.000 1.111 741 N HN 0.187 nan 8.380 nan 0.000 0.485 742 N N 2.737 121.499 118.700 0.104 0.000 2.037 742 N HA -0.207 4.535 4.740 0.002 0.000 0.196 742 N C 1.408 177.042 175.510 0.206 0.000 1.034 742 N CA 1.429 54.586 53.050 0.177 0.000 0.861 742 N CB -0.346 38.072 38.487 -0.114 0.000 1.039 742 N HN 0.337 nan 8.380 nan 0.000 0.427 743 V N 1.758 121.729 119.914 0.095 0.000 2.250 743 V HA -0.264 3.858 4.120 0.002 0.000 0.250 743 V C 2.501 178.660 176.094 0.108 0.000 1.060 743 V CA 1.751 64.103 62.300 0.086 0.000 1.030 743 V CB -0.583 31.265 31.823 0.042 0.000 0.643 743 V HN 0.354 nan 8.190 nan 0.000 0.445 744 K N -0.506 119.953 120.400 0.098 0.000 2.097 744 K HA -0.216 4.106 4.320 0.002 0.000 0.206 744 K C 2.283 178.938 176.600 0.091 0.000 1.049 744 K CA 1.638 57.978 56.287 0.089 0.000 0.933 744 K CB -0.118 32.428 32.500 0.078 0.000 0.717 744 K HN 0.578 nan 8.250 nan 0.000 0.442 745 Q N -0.468 119.404 119.800 0.119 0.000 2.297 745 Q HA -0.070 4.271 4.340 0.002 0.000 0.204 745 Q C 1.896 177.923 176.000 0.044 0.000 0.962 745 Q CA 1.017 56.868 55.803 0.081 0.000 0.879 745 Q CB 0.094 28.898 28.738 0.111 0.000 0.947 745 Q HN 0.357 nan 8.270 nan 0.000 0.462 746 M N -0.722 118.945 119.600 0.112 0.000 2.334 746 M HA -0.093 4.389 4.480 0.002 0.000 0.266 746 M C 1.965 178.298 176.300 0.056 0.000 1.082 746 M CA 0.686 56.037 55.300 0.085 0.000 1.141 746 M CB 0.386 33.085 32.600 0.166 0.000 1.380 746 M HN 0.030 nan 8.290 nan 0.000 0.440 747 V N 0.362 120.316 119.914 0.067 0.000 2.358 747 V HA -0.253 3.869 4.120 0.002 0.000 0.246 747 V C 2.253 178.373 176.094 0.043 0.000 1.047 747 V CA 1.581 63.916 62.300 0.060 0.000 1.035 747 V CB -0.481 31.388 31.823 0.076 0.000 0.658 747 V HN 0.503 nan 8.190 nan 0.000 0.452 748 M N -0.467 119.154 119.600 0.036 0.000 2.374 748 M HA -0.103 4.379 4.480 0.002 0.000 0.264 748 M C 2.120 178.419 176.300 -0.002 0.000 1.067 748 M CA 1.767 57.078 55.300 0.019 0.000 1.103 748 M CB -0.338 32.272 32.600 0.016 0.000 1.402 748 M HN 0.436 nan 8.290 nan 0.000 0.444 749 A N -0.684 122.129 122.820 -0.012 0.000 1.997 749 A HA 0.361 4.682 4.320 0.002 0.000 0.212 749 A C 1.668 179.246 177.584 -0.011 0.000 1.178 749 A CA 1.043 53.062 52.037 -0.029 0.000 0.698 749 A CB -0.311 18.654 19.000 -0.059 0.000 0.842 749 A HN 0.553 nan 8.150 nan 0.000 0.458 750 G N -0.268 108.536 108.800 0.007 0.000 2.142 750 G HA2 -0.236 3.725 3.960 0.002 0.000 0.225 750 G HA3 -0.236 3.725 3.960 0.002 0.000 0.225 750 G C 0.959 175.871 174.900 0.020 0.000 1.015 750 G CA 1.205 46.316 45.100 0.017 0.000 0.716 750 G HN 1.302 nan 8.290 nan 0.000 0.508 751 S N -1.175 114.537 115.700 0.020 0.000 2.362 751 S HA 0.361 4.833 4.470 0.002 0.000 0.221 751 S C 0.860 175.484 174.600 0.041 0.000 1.032 751 S CA 1.517 59.734 58.200 0.027 0.000 0.973 751 S CB 0.559 63.773 63.200 0.022 0.000 0.849 751 S HN 0.610 nan 8.310 nan 0.000 0.465 752 K N -0.520 119.909 120.400 0.049 0.000 2.562 752 K HA 0.557 4.879 4.320 0.002 0.000 0.267 752 K C -0.899 175.731 176.600 0.049 0.000 0.938 752 K CA 0.060 56.375 56.287 0.046 0.000 0.840 752 K CB 1.951 34.478 32.500 0.045 0.000 1.390 752 K HN 0.576 nan 8.250 nan 0.000 0.428 753 G N 0.755 109.580 108.800 0.041 0.000 2.539 753 G HA2 0.178 4.140 3.960 0.002 0.000 0.686 753 G HA3 0.178 4.140 3.960 0.002 0.000 0.686 753 G C -1.124 173.808 174.900 0.053 0.000 1.258 753 G CA -0.355 44.771 45.100 0.042 0.000 0.846 753 G HN 0.939 nan 8.290 nan 0.000 0.647 754 S N -0.345 115.390 115.700 0.058 0.000 2.688 754 S HA 0.728 5.199 4.470 0.002 0.000 0.275 754 S C 0.766 175.436 174.600 0.116 0.000 1.175 754 S CA 0.313 58.569 58.200 0.094 0.000 0.818 754 S CB 1.260 64.517 63.200 0.094 0.000 1.157 754 S HN 1.933 nan 8.310 nan 0.000 0.482 755 F N 1.274 121.241 119.950 0.028 0.000 2.063 755 F HA -0.099 4.429 4.527 0.003 0.000 0.298 755 F C 1.967 177.787 175.800 0.035 0.000 1.109 755 F CA 1.995 60.013 58.000 0.030 0.000 1.212 755 F CB -0.375 38.641 39.000 0.026 0.000 0.973 755 F HN 0.565 nan 8.300 nan 0.000 0.480 756 I N 1.433 121.932 120.570 -0.119 0.000 2.185 756 I HA -0.374 3.798 4.170 0.002 0.000 0.246 756 I C 2.022 178.016 176.117 -0.205 0.000 1.088 756 I CA 1.669 62.837 61.300 -0.220 0.000 1.347 756 I CB -1.246 36.755 38.000 0.002 0.000 1.041 756 I HN 0.317 nan 8.210 nan 0.000 0.415 757 N N 0.728 119.365 118.700 -0.104 0.000 2.166 757 N HA -0.151 4.590 4.740 0.002 0.000 0.186 757 N C 1.906 177.367 175.510 -0.082 0.000 1.019 757 N CA 1.437 54.451 53.050 -0.060 0.000 0.856 757 N CB -0.179 38.294 38.487 -0.023 0.000 0.993 757 N HN 0.444 nan 8.380 nan 0.000 0.426 758 I N 1.057 121.547 120.570 -0.133 0.000 2.315 758 I HA -0.162 4.009 4.170 0.002 0.000 0.248 758 I C 2.410 178.418 176.117 -0.181 0.000 1.117 758 I CA 0.626 61.852 61.300 -0.124 0.000 1.404 758 I CB -0.441 37.507 38.000 -0.087 0.000 1.071 758 I HN 0.022 nan 8.210 nan 0.000 0.419 759 A N 0.875 123.469 122.820 -0.377 0.000 1.883 759 A HA -0.252 4.070 4.320 0.002 0.000 0.217 759 A C 2.308 179.800 177.584 -0.154 0.000 1.186 759 A CA 1.682 53.509 52.037 -0.350 0.000 0.624 759 A CB -0.604 18.056 19.000 -0.565 0.000 0.822 759 A HN 0.496 nan 8.150 nan 0.000 0.444 760 Q N -1.087 118.656 119.800 -0.095 0.000 2.049 760 Q HA -0.056 4.286 4.340 0.002 0.000 0.198 760 Q C 2.298 178.364 176.000 0.110 0.000 0.971 760 Q CA 1.376 57.182 55.803 0.006 0.000 0.833 760 Q CB -0.316 28.517 28.738 0.159 0.000 0.896 760 Q HN 0.699 nan 8.270 nan 0.000 0.434 761 M N 0.230 119.900 119.600 0.117 0.000 2.117 761 M HA -0.135 4.347 4.480 0.002 0.000 0.262 761 M C 1.974 178.313 176.300 0.065 0.000 1.065 761 M CA 1.409 56.784 55.300 0.125 0.000 1.114 761 M CB -0.034 32.589 32.600 0.038 0.000 1.361 761 M HN 0.075 nan 8.290 nan 0.000 0.408 762 S N -0.691 115.018 115.700 0.014 0.000 2.502 762 S HA 0.258 4.729 4.470 0.002 0.000 0.228 762 S C 1.667 176.262 174.600 -0.008 0.000 1.061 762 S CA 0.410 58.613 58.200 0.004 0.000 0.935 762 S CB 0.259 63.461 63.200 0.003 0.000 0.809 762 S HN 0.452 nan 8.310 nan 0.000 0.510 763 A N 1.161 123.965 122.820 -0.026 0.000 2.250 763 A HA 0.495 4.817 4.320 0.002 0.000 0.222 763 A C 0.993 178.552 177.584 -0.042 0.000 1.768 763 A CA 0.869 52.892 52.037 -0.022 0.000 0.660 763 A CB -0.714 18.273 19.000 -0.021 0.000 1.318 763 A HN 0.807 nan 8.150 nan 0.000 0.527 764 C N -2.405 116.852 119.300 -0.073 0.000 3.239 764 C HA 0.606 5.068 4.460 0.002 0.000 0.329 764 C C 1.166 176.031 174.990 -0.208 0.000 1.252 764 C CA -0.036 58.898 59.018 -0.140 0.000 1.323 764 C CB 0.844 28.519 27.740 -0.107 0.000 1.663 764 C HN 1.301 nan 8.230 nan 0.000 0.487 765 V N 1.817 121.524 119.914 -0.345 0.000 2.951 765 V HA 0.582 4.704 4.120 0.002 0.000 0.255 765 V C 1.329 177.227 176.094 -0.327 0.000 1.088 765 V CA 2.181 64.246 62.300 -0.392 0.000 1.109 765 V CB -0.925 30.494 31.823 -0.674 0.000 0.724 765 V HN 2.908 nan 8.190 nan 0.000 0.471 766 G N 0.411 108.954 108.800 -0.429 0.000 2.615 766 G HA2 -0.247 3.714 3.960 0.002 0.000 0.218 766 G HA3 -0.247 3.714 3.960 0.002 0.000 0.218 766 G C -0.490 174.170 174.900 -0.400 0.000 1.339 766 G CA 0.207 45.096 45.100 -0.351 0.000 0.884 766 G HN 1.038 nan 8.290 nan 0.000 0.559 767 Q N -0.295 119.528 119.800 0.040 0.000 2.327 767 Q HA 0.627 4.969 4.340 0.002 0.000 0.254 767 Q C 0.064 176.068 176.000 0.006 0.000 0.952 767 Q CA 0.218 56.104 55.803 0.138 0.000 0.884 767 Q CB 1.125 30.019 28.738 0.261 0.000 1.224 767 Q HN 0.682 nan 8.270 nan 0.000 0.422 768 Q N 1.199 120.989 119.800 -0.017 0.000 2.256 768 Q HA 0.619 4.960 4.340 0.002 0.000 0.257 768 Q C -1.466 174.520 176.000 -0.024 0.000 0.936 768 Q CA -0.208 55.587 55.803 -0.013 0.000 0.903 768 Q CB 1.701 30.443 28.738 0.006 0.000 1.263 768 Q HN 0.729 nan 8.270 nan 0.000 0.440 769 S N 1.298 116.993 115.700 -0.009 0.000 2.548 769 S HA 0.872 5.343 4.470 0.002 0.000 0.286 769 S C -1.393 173.195 174.600 -0.020 0.000 1.098 769 S CA -0.671 57.516 58.200 -0.021 0.000 0.930 769 S CB 1.521 64.716 63.200 -0.008 0.000 1.070 769 S HN 0.327 nan 8.310 nan 0.000 0.480 770 V N 2.351 122.247 119.914 -0.029 0.000 2.567 770 V HA 0.513 4.634 4.120 0.002 0.000 0.298 770 V C -0.484 175.600 176.094 -0.016 0.000 1.047 770 V CA -0.548 61.737 62.300 -0.025 0.000 0.880 770 V CB 0.883 32.684 31.823 -0.036 0.000 1.009 770 V HN 1.159 nan 8.190 nan 0.000 0.429 771 E N 3.665 123.861 120.200 -0.008 0.000 2.369 771 E HA -0.267 4.084 4.350 0.002 0.000 0.165 771 E C 1.337 177.938 176.600 0.002 0.000 1.622 771 E CA 0.817 57.217 56.400 -0.000 0.000 0.660 771 E CB -0.946 28.756 29.700 0.003 0.000 1.085 771 E HN 1.486 nan 8.360 nan 0.000 0.346 772 G N 1.467 110.269 108.800 0.002 0.000 3.639 772 G HA2 -0.442 3.519 3.960 0.002 0.000 0.224 772 G HA3 -0.442 3.519 3.960 0.002 0.000 0.224 772 G C 0.326 175.224 174.900 -0.003 0.000 1.339 772 G CA 1.046 46.148 45.100 0.003 0.000 0.933 772 G HN 0.399 nan 8.290 nan 0.000 0.568 773 K N 2.152 122.550 120.400 -0.003 0.000 2.118 773 K HA 0.514 4.836 4.320 0.002 0.000 0.264 773 K C 1.078 177.660 176.600 -0.030 0.000 1.000 773 K CA -0.557 55.725 56.287 -0.008 0.000 0.929 773 K CB 1.019 33.525 32.500 0.011 0.000 1.021 773 K HN 0.736 nan 8.250 nan 0.000 0.463 774 R N 1.061 121.534 120.500 -0.045 0.000 2.893 774 R HA 0.106 4.447 4.340 0.002 0.000 0.279 774 R C 0.088 176.309 176.300 -0.132 0.000 1.076 774 R CA -0.617 55.432 56.100 -0.085 0.000 1.203 774 R CB 0.010 30.256 30.300 -0.089 0.000 1.137 774 R HN 0.389 nan 8.270 nan 0.000 0.541 775 I N 1.553 121.994 120.570 -0.215 0.000 2.845 775 I HA -0.088 4.083 4.170 0.002 0.000 0.290 775 I C 0.979 176.936 176.117 -0.267 0.000 1.202 775 I CA 0.401 61.551 61.300 -0.250 0.000 1.406 775 I CB -0.893 36.849 38.000 -0.429 0.000 1.383 775 I HN 0.733 nan 8.210 nan 0.000 0.549 776 A N 7.592 130.324 122.820 -0.146 0.000 2.406 776 A HA 0.283 4.604 4.320 0.002 0.000 0.243 776 A C -0.136 177.376 177.584 -0.119 0.000 1.082 776 A CA -0.288 51.692 52.037 -0.094 0.000 0.786 776 A CB -0.052 18.958 19.000 0.015 0.000 1.029 776 A HN 0.468 nan 8.150 nan 0.000 0.495 777 F N 1.750 121.711 119.950 0.018 0.000 2.490 777 F HA 0.295 4.824 4.527 0.003 0.000 0.357 777 F C 1.581 177.426 175.800 0.074 0.000 1.166 777 F CA 0.892 58.926 58.000 0.057 0.000 1.116 777 F CB 0.339 39.353 39.000 0.023 0.000 1.171 777 F HN 0.690 nan 8.300 nan 0.000 0.576 778 G N 3.615 112.547 108.800 0.219 0.000 2.417 778 G HA2 -0.056 3.906 3.960 0.002 0.000 0.212 778 G HA3 -0.056 3.906 3.960 0.002 0.000 0.212 778 G C 0.470 175.361 174.900 -0.014 0.000 1.187 778 G CA -0.086 45.051 45.100 0.063 0.000 0.804 778 G HN 0.310 nan 8.290 nan 0.000 0.534 779 F N 0.202 120.253 119.950 0.167 0.000 2.480 779 F HA 0.348 4.876 4.527 0.002 0.000 0.319 779 F C 0.842 176.735 175.800 0.154 0.000 1.230 779 F CA -0.677 57.407 58.000 0.139 0.000 1.285 779 F CB 0.744 39.824 39.000 0.134 0.000 1.208 779 F HN -0.234 nan 8.300 nan 0.000 0.579 780 V N 2.167 122.266 119.914 0.308 0.000 2.450 780 V HA -0.024 4.097 4.120 0.002 0.000 0.281 780 V C -0.076 176.109 176.094 0.152 0.000 1.019 780 V CA 0.307 62.709 62.300 0.171 0.000 1.062 780 V CB 0.107 31.996 31.823 0.110 0.000 0.979 780 V HN 0.828 nan 8.190 nan 0.000 0.477 781 D N 2.357 122.778 120.400 0.035 0.000 3.070 781 D HA -0.185 4.457 4.640 0.002 0.000 0.220 781 D C 0.610 176.998 176.300 0.146 0.000 1.176 781 D CA 1.817 55.692 54.000 -0.209 0.000 0.924 781 D CB -0.354 40.338 40.800 -0.179 0.000 1.124 781 D HN 0.879 nan 8.370 nan 0.000 0.411 782 R N -2.685 118.148 120.500 0.555 0.000 2.831 782 R HA 0.680 5.021 4.340 0.002 0.000 0.266 782 R C 0.921 177.561 176.300 0.566 0.000 1.051 782 R CA -0.234 56.240 56.100 0.623 0.000 0.943 782 R CB 0.538 31.053 30.300 0.360 0.000 1.228 782 R HN -0.036 nan 8.270 nan 0.000 0.467 783 T N -1.766 113.015 114.554 0.379 0.000 3.033 783 T HA 0.317 4.669 4.350 0.002 0.000 0.248 783 T C 0.898 176.027 174.700 0.715 0.000 1.040 783 T CA 0.145 62.499 62.100 0.423 0.000 1.133 783 T CB 0.107 69.131 68.868 0.261 0.000 0.895 783 T HN 0.321 nan 8.240 nan 0.000 0.465 784 L N 1.191 122.790 121.223 0.627 0.000 2.393 784 L HA 0.456 4.798 4.340 0.002 0.000 0.260 784 L C -2.205 174.520 176.870 -0.241 0.000 1.002 784 L CA -2.690 52.294 54.840 0.241 0.000 0.818 784 L CB 2.679 44.926 42.059 0.313 0.000 1.369 784 L HN -0.241 nan 8.230 nan 0.000 0.412 785 P HA -0.033 nan 4.420 nan 0.000 0.253 785 P C 0.559 177.493 177.300 -0.609 0.000 1.281 785 P CA 0.752 63.406 63.100 -0.743 0.000 0.792 785 P CB -0.035 31.121 31.700 -0.908 0.000 1.193 786 H N -1.415 117.435 119.070 -0.366 0.000 2.548 786 H HA 0.200 4.757 4.556 0.002 0.000 0.265 786 H C 0.542 175.627 175.328 -0.406 0.000 0.969 786 H CA 0.265 56.065 56.048 -0.413 0.000 1.155 786 H CB -0.092 29.336 29.762 -0.556 0.000 1.394 786 H HN 0.223 nan 8.280 nan 0.000 0.570 787 F N 0.579 120.570 119.950 0.069 0.000 2.483 787 F HA 0.291 4.820 4.527 0.002 0.000 0.329 787 F C 0.945 176.771 175.800 0.043 0.000 1.064 787 F CA -1.150 56.899 58.000 0.081 0.000 0.986 787 F CB 1.278 40.352 39.000 0.124 0.000 1.218 787 F HN -0.202 nan 8.300 nan 0.000 0.484 788 S N 0.411 116.284 115.700 0.289 0.000 2.608 788 S HA 0.187 4.659 4.470 0.002 0.000 0.261 788 S C -0.136 174.568 174.600 0.172 0.000 1.314 788 S CA -0.841 57.462 58.200 0.171 0.000 0.992 788 S CB 0.526 63.809 63.200 0.138 0.000 0.935 788 S HN 0.412 nan 8.310 nan 0.000 0.564 789 K N 0.999 121.469 120.400 0.116 0.000 2.168 789 K HA 0.106 4.428 4.320 0.002 0.000 0.258 789 K C -0.528 176.124 176.600 0.085 0.000 1.010 789 K CA -0.225 56.120 56.287 0.097 0.000 0.929 789 K CB 0.168 32.696 32.500 0.047 0.000 0.998 789 K HN 0.533 nan 8.250 nan 0.000 0.479 790 D N 2.083 122.500 120.400 0.029 0.000 2.927 790 D HA -0.184 4.458 4.640 0.002 0.000 0.236 790 D C -1.088 175.305 176.300 0.155 0.000 1.163 790 D CA 1.070 55.101 54.000 0.053 0.000 0.801 790 D CB -0.633 40.216 40.800 0.083 0.000 0.975 790 D HN 0.498 nan 8.370 nan 0.000 0.413 791 D N -0.008 120.472 120.400 0.135 0.000 2.473 791 D HA 0.239 4.880 4.640 0.002 0.000 0.253 791 D C -0.214 176.109 176.300 0.039 0.000 1.233 791 D CA -0.559 53.511 54.000 0.117 0.000 0.908 791 D CB 0.408 41.228 40.800 0.034 0.000 1.170 791 D HN 0.071 nan 8.370 nan 0.000 0.558 792 Y N 1.286 121.671 120.300 0.142 0.000 2.507 792 Y HA 0.145 4.697 4.550 0.003 0.000 0.254 792 Y C 1.570 177.536 175.900 0.111 0.000 1.171 792 Y CA -0.307 57.900 58.100 0.178 0.000 1.238 792 Y CB 0.120 38.755 38.460 0.292 0.000 1.148 792 Y HN 0.298 nan 8.280 nan 0.000 0.525 793 S N 0.466 116.264 115.700 0.163 0.000 2.614 793 S HA -0.028 4.443 4.470 0.002 0.000 0.251 793 S C -1.635 172.966 174.600 0.001 0.000 1.388 793 S CA -0.737 57.512 58.200 0.081 0.000 0.973 793 S CB 0.223 63.447 63.200 0.040 0.000 0.926 793 S HN 0.003 nan 8.310 nan 0.000 0.580 794 P HA 0.038 nan 4.420 nan 0.000 0.214 794 P C 1.087 178.410 177.300 0.039 0.000 1.162 794 P CA 1.111 64.191 63.100 -0.032 0.000 0.871 794 P CB -0.148 31.483 31.700 -0.115 0.000 0.783 795 E N -0.249 119.998 120.200 0.078 0.000 2.150 795 E HA -0.120 4.232 4.350 0.002 0.000 0.193 795 E C 2.168 178.766 176.600 -0.004 0.000 0.985 795 E CA 1.240 57.722 56.400 0.136 0.000 0.814 795 E CB -1.223 28.602 29.700 0.209 0.000 0.752 795 E HN 0.111 nan 8.360 nan 0.000 0.466 796 S N -0.144 115.374 115.700 -0.303 0.000 2.383 796 S HA -0.086 4.385 4.470 0.002 0.000 0.227 796 S C 1.523 175.786 174.600 -0.562 0.000 1.026 796 S CA 0.926 58.652 58.200 -0.791 0.000 0.981 796 S CB 0.059 62.761 63.200 -0.831 0.000 0.818 796 S HN 0.026 nan 8.310 nan 0.000 0.472 797 K N -0.184 119.956 120.400 -0.433 0.000 2.358 797 K HA 0.270 4.592 4.320 0.002 0.000 0.197 797 K C 0.896 177.192 176.600 -0.507 0.000 1.025 797 K CA 0.703 56.703 56.287 -0.478 0.000 1.104 797 K CB 0.938 33.245 32.500 -0.322 0.000 0.855 797 K HN 0.458 nan 8.250 nan 0.000 0.531 798 G N 1.527 110.026 108.800 -0.502 0.000 2.215 798 G HA2 -0.166 3.796 3.960 0.002 0.000 0.187 798 G HA3 -0.166 3.796 3.960 0.002 0.000 0.187 798 G C -0.692 174.137 174.900 -0.119 0.000 1.039 798 G CA -0.753 44.016 45.100 -0.551 0.000 0.771 798 G HN 0.160 nan 8.290 nan 0.000 0.507 799 F N 2.085 121.948 119.950 -0.145 0.000 2.420 799 F HA 0.621 5.150 4.527 0.003 0.000 0.352 799 F C 0.394 176.199 175.800 0.009 0.000 1.108 799 F CA -0.783 57.182 58.000 -0.058 0.000 1.162 799 F CB 1.582 40.555 39.000 -0.046 0.000 1.118 799 F HN -0.016 nan 8.300 nan 0.000 0.510 800 V N 7.329 126.871 119.914 -0.620 0.000 2.348 800 V HA 0.116 4.237 4.120 0.002 0.000 0.270 800 V C 0.978 176.635 176.094 -0.728 0.000 1.037 800 V CA -0.389 61.627 62.300 -0.472 0.000 0.872 800 V CB 1.054 32.649 31.823 -0.379 0.000 1.002 800 V HN 0.836 nan 8.190 nan 0.000 0.464 801 E N 3.297 123.308 120.200 -0.315 0.000 2.478 801 E HA -0.017 4.334 4.350 0.002 0.000 0.198 801 E C 0.344 176.871 176.600 -0.122 0.000 1.046 801 E CA 0.224 56.554 56.400 -0.116 0.000 0.870 801 E CB 0.354 30.122 29.700 0.114 0.000 0.818 801 E HN 0.624 nan 8.360 nan 0.000 0.527 802 N N 0.177 118.768 118.700 -0.181 0.000 2.384 802 N HA 0.132 4.873 4.740 0.002 0.000 0.301 802 N C -0.703 174.685 175.510 -0.204 0.000 1.133 802 N CA -0.213 52.753 53.050 -0.139 0.000 0.853 802 N CB 1.946 40.377 38.487 -0.094 0.000 1.241 802 N HN -0.081 nan 8.380 nan 0.000 0.502 803 S N 0.286 115.903 115.700 -0.138 0.000 2.632 803 S HA 0.246 4.718 4.470 0.002 0.000 0.267 803 S C 1.096 175.620 174.600 -0.128 0.000 1.276 803 S CA -0.473 57.645 58.200 -0.137 0.000 0.998 803 S CB 0.529 63.703 63.200 -0.044 0.000 0.953 803 S HN 0.537 nan 8.310 nan 0.000 0.547 804 Y N -0.093 120.173 120.300 -0.055 0.000 2.352 804 Y HA -0.063 4.488 4.550 0.003 0.000 0.292 804 Y C 2.237 178.121 175.900 -0.026 0.000 1.136 804 Y CA 0.686 58.767 58.100 -0.032 0.000 1.227 804 Y CB -0.036 38.410 38.460 -0.023 0.000 0.991 804 Y HN 0.495 nan 8.280 nan 0.000 0.545 805 L N 0.378 121.677 121.223 0.128 0.000 2.109 805 L HA -0.158 4.184 4.340 0.002 0.000 0.207 805 L C 2.080 178.967 176.870 0.029 0.000 1.086 805 L CA 1.752 56.629 54.840 0.061 0.000 0.760 805 L CB -0.550 41.532 42.059 0.039 0.000 0.910 805 L HN 0.176 nan 8.230 nan 0.000 0.437 806 R N -0.208 120.299 120.500 0.012 0.000 2.066 806 R HA 0.094 4.435 4.340 0.002 0.000 0.232 806 R C 0.445 176.742 176.300 -0.005 0.000 1.131 806 R CA 0.812 56.911 56.100 -0.003 0.000 0.955 806 R CB -0.155 30.135 30.300 -0.016 0.000 0.851 806 R HN 0.567 nan 8.270 nan 0.000 0.432 807 G N -0.629 108.168 108.800 -0.006 0.000 2.697 807 G HA2 -0.060 3.901 3.960 0.002 0.000 0.684 807 G HA3 -0.060 3.901 3.960 0.002 0.000 0.684 807 G C -1.471 173.412 174.900 -0.029 0.000 1.274 807 G CA -1.127 43.968 45.100 -0.008 0.000 0.806 807 G HN 0.015 nan 8.290 nan 0.000 0.644 808 L N 1.490 122.704 121.223 -0.015 0.000 2.399 808 L HA 0.708 5.049 4.340 0.002 0.000 0.266 808 L C 1.665 178.545 176.870 0.017 0.000 1.114 808 L CA 0.181 55.025 54.840 0.007 0.000 0.804 808 L CB 1.330 43.447 42.059 0.097 0.000 1.146 808 L HN 0.945 nan 8.230 nan 0.000 0.451 809 T N -0.640 113.937 114.554 0.038 0.000 2.874 809 T HA 0.354 4.705 4.350 0.002 0.000 0.281 809 T C -1.958 172.776 174.700 0.056 0.000 0.994 809 T CA -1.635 60.481 62.100 0.026 0.000 1.015 809 T CB 0.847 69.731 68.868 0.027 0.000 1.028 809 T HN 0.369 nan 8.240 nan 0.000 0.523 810 P HA -0.211 nan 4.420 nan 0.000 0.214 810 P C 1.637 178.928 177.300 -0.015 0.000 1.172 810 P CA 1.458 64.552 63.100 -0.009 0.000 0.925 810 P CB -0.017 31.601 31.700 -0.137 0.000 0.793 811 Q N -0.300 119.416 119.800 -0.141 0.000 2.002 811 Q HA -0.200 4.142 4.340 0.002 0.000 0.204 811 Q C 2.221 178.063 176.000 -0.265 0.000 0.988 811 Q CA 1.718 57.331 55.803 -0.316 0.000 0.843 811 Q CB -0.952 27.688 28.738 -0.162 0.000 0.908 811 Q HN 0.354 nan 8.270 nan 0.000 0.420 812 E N -0.181 120.072 120.200 0.089 0.000 2.136 812 E HA -0.256 4.096 4.350 0.002 0.000 0.202 812 E C 1.683 178.419 176.600 0.227 0.000 1.019 812 E CA 1.336 57.877 56.400 0.236 0.000 0.819 812 E CB -0.285 29.504 29.700 0.148 0.000 0.739 812 E HN 0.256 nan 8.360 nan 0.000 0.458 813 F N 0.491 120.470 119.950 0.047 0.000 2.095 813 F HA -0.227 4.301 4.527 0.002 0.000 0.298 813 F C 2.011 177.884 175.800 0.121 0.000 1.104 813 F CA 1.350 59.405 58.000 0.092 0.000 1.232 813 F CB -0.537 38.499 39.000 0.061 0.000 0.987 813 F HN -0.001 nan 8.300 nan 0.000 0.475 814 F N -0.064 119.727 119.950 -0.264 0.000 2.186 814 F HA -0.143 4.385 4.527 0.002 0.000 0.299 814 F C 2.107 177.793 175.800 -0.189 0.000 1.090 814 F CA 1.325 59.101 58.000 -0.373 0.000 1.307 814 F CB -1.002 37.794 39.000 -0.339 0.000 1.019 814 F HN 0.025 nan 8.300 nan 0.000 0.489 815 F N -1.055 118.875 119.950 -0.034 0.000 2.102 815 F HA -0.268 4.260 4.527 0.002 0.000 0.298 815 F C 2.713 178.446 175.800 -0.111 0.000 1.105 815 F CA 1.289 59.234 58.000 -0.091 0.000 1.239 815 F CB -0.765 38.260 39.000 0.040 0.000 0.991 815 F HN 0.039 nan 8.300 nan 0.000 0.474 816 H N 0.667 119.762 119.070 0.042 0.000 2.387 816 H HA -0.129 4.428 4.556 0.003 0.000 0.299 816 H C 2.038 177.282 175.328 -0.140 0.000 1.099 816 H CA 1.219 57.247 56.048 -0.033 0.000 1.315 816 H CB -0.514 29.256 29.762 0.013 0.000 1.380 816 H HN 0.178 nan 8.280 nan 0.000 0.513 817 A N 0.616 123.222 122.820 -0.357 0.000 1.892 817 A HA -0.251 4.070 4.320 0.002 0.000 0.218 817 A C 2.616 179.980 177.584 -0.366 0.000 1.188 817 A CA 2.216 53.961 52.037 -0.486 0.000 0.631 817 A CB -0.814 17.810 19.000 -0.627 0.000 0.822 817 A HN 0.530 nan 8.150 nan 0.000 0.447 818 M N -0.695 118.683 119.600 -0.369 0.000 2.108 818 M HA -0.108 4.373 4.480 0.002 0.000 0.261 818 M C 2.306 178.520 176.300 -0.144 0.000 1.066 818 M CA 1.544 56.685 55.300 -0.264 0.000 1.107 818 M CB -0.639 31.825 32.600 -0.226 0.000 1.356 818 M HN 0.505 nan 8.290 nan 0.000 0.406 819 G N -0.290 108.457 108.800 -0.088 0.000 2.404 819 G HA2 -0.090 3.871 3.960 0.002 0.000 0.215 819 G HA3 -0.090 3.871 3.960 0.002 0.000 0.215 819 G C 1.544 176.422 174.900 -0.037 0.000 1.174 819 G CA 0.849 45.936 45.100 -0.022 0.000 0.780 819 G HN 0.558 nan 8.290 nan 0.000 0.537 820 G N 0.411 109.150 108.800 -0.101 0.000 2.422 820 G HA2 -0.150 3.812 3.960 0.002 0.000 0.218 820 G HA3 -0.150 3.812 3.960 0.002 0.000 0.218 820 G C 1.828 176.671 174.900 -0.095 0.000 1.140 820 G CA 1.012 46.045 45.100 -0.111 0.000 0.775 820 G HN 0.466 nan 8.290 nan 0.000 0.545 821 R N 0.816 121.244 120.500 -0.120 0.000 2.120 821 R HA -0.021 4.321 4.340 0.002 0.000 0.234 821 R C 2.238 178.501 176.300 -0.063 0.000 1.123 821 R CA 1.769 57.812 56.100 -0.095 0.000 0.975 821 R CB -0.467 29.765 30.300 -0.113 0.000 0.866 821 R HN 0.483 nan 8.270 nan 0.000 0.446 822 E N -1.019 119.147 120.200 -0.056 0.000 2.118 822 E HA -0.148 4.204 4.350 0.002 0.000 0.195 822 E C 1.715 178.301 176.600 -0.024 0.000 0.992 822 E CA 1.428 57.807 56.400 -0.035 0.000 0.804 822 E CB -0.384 29.300 29.700 -0.027 0.000 0.741 822 E HN 0.551 nan 8.360 nan 0.000 0.458 823 G N 1.029 109.816 108.800 -0.022 0.000 2.402 823 G HA2 -0.222 3.740 3.960 0.002 0.000 0.216 823 G HA3 -0.222 3.740 3.960 0.002 0.000 0.216 823 G C 1.541 176.432 174.900 -0.015 0.000 1.162 823 G CA 0.746 45.839 45.100 -0.012 0.000 0.777 823 G HN 0.219 nan 8.290 nan 0.000 0.539 824 L N 0.440 121.648 121.223 -0.024 0.000 2.131 824 L HA -0.071 4.271 4.340 0.002 0.000 0.210 824 L C 2.706 179.565 176.870 -0.019 0.000 1.092 824 L CA 0.388 55.214 54.840 -0.023 0.000 0.759 824 L CB -0.578 41.463 42.059 -0.030 0.000 0.903 824 L HN 0.123 nan 8.230 nan 0.000 0.435 825 I N 1.096 121.653 120.570 -0.021 0.000 2.162 825 I HA -0.214 3.958 4.170 0.002 0.000 0.238 825 I C 2.338 178.448 176.117 -0.011 0.000 1.076 825 I CA 1.716 63.006 61.300 -0.017 0.000 1.353 825 I CB -1.310 36.679 38.000 -0.018 0.000 1.063 825 I HN 0.376 nan 8.210 nan 0.000 0.408 826 D N 0.088 120.483 120.400 -0.009 0.000 2.178 826 D HA -0.155 4.486 4.640 0.002 0.000 0.202 826 D C 1.847 178.146 176.300 -0.003 0.000 0.974 826 D CA 1.424 55.422 54.000 -0.003 0.000 0.841 826 D CB -0.883 39.916 40.800 -0.001 0.000 0.953 826 D HN 0.151 nan 8.370 nan 0.000 0.478 827 T N 0.035 114.586 114.554 -0.005 0.000 2.720 827 T HA -0.097 4.255 4.350 0.002 0.000 0.268 827 T C 1.985 176.681 174.700 -0.006 0.000 1.037 827 T CA 1.677 63.774 62.100 -0.006 0.000 1.144 827 T CB -0.541 68.323 68.868 -0.007 0.000 0.864 827 T HN 0.410 nan 8.240 nan 0.000 0.444 828 A N 0.295 123.110 122.820 -0.008 0.000 2.239 828 A HA 0.191 4.512 4.320 0.002 0.000 0.209 828 A C 2.035 179.615 177.584 -0.006 0.000 1.171 828 A CA 0.664 52.695 52.037 -0.009 0.000 0.768 828 A CB -0.253 18.740 19.000 -0.012 0.000 0.790 828 A HN 0.410 nan 8.150 nan 0.000 0.478 829 V N -2.167 117.745 119.914 -0.002 0.000 3.350 829 V HA 0.026 4.147 4.120 0.002 0.000 0.246 829 V C 1.969 178.069 176.094 0.010 0.000 1.363 829 V CA 0.834 63.135 62.300 0.003 0.000 1.162 829 V CB -0.082 31.743 31.823 0.003 0.000 0.947 829 V HN 0.250 nan 8.190 nan 0.000 0.454 830 K N 0.950 121.355 120.400 0.007 0.000 2.015 830 K HA -0.206 4.116 4.320 0.002 0.000 0.216 830 K C 2.275 178.882 176.600 0.011 0.000 1.052 830 K CA 2.433 58.725 56.287 0.009 0.000 0.937 830 K CB -0.879 31.623 32.500 0.003 0.000 0.719 830 K HN 0.358 nan 8.250 nan 0.000 0.446 831 T N -0.530 114.027 114.554 0.004 0.000 2.962 831 T HA -0.032 4.320 4.350 0.002 0.000 0.270 831 T C 1.536 176.243 174.700 0.010 0.000 1.088 831 T CA 1.137 63.238 62.100 0.002 0.000 1.127 831 T CB -0.177 68.688 68.868 -0.005 0.000 0.883 831 T HN 0.338 nan 8.240 nan 0.000 0.493 832 A N 0.644 123.471 122.820 0.013 0.000 1.903 832 A HA 0.085 4.406 4.320 0.002 0.000 0.213 832 A C 2.136 179.751 177.584 0.053 0.000 1.185 832 A CA 1.178 53.225 52.037 0.016 0.000 0.628 832 A CB -0.354 18.645 19.000 -0.001 0.000 0.830 832 A HN 0.553 nan 8.150 nan 0.000 0.446 833 E N -0.630 119.606 120.200 0.059 0.000 2.072 833 E HA -0.108 4.243 4.350 0.002 0.000 0.191 833 E C 2.059 178.718 176.600 0.098 0.000 0.985 833 E CA 1.605 58.063 56.400 0.097 0.000 0.801 833 E CB -0.171 29.570 29.700 0.067 0.000 0.750 833 E HN 0.589 nan 8.360 nan 0.000 0.452 834 T N -0.063 114.522 114.554 0.052 0.000 2.701 834 T HA -0.121 4.230 4.350 0.002 0.000 0.263 834 T C 1.930 176.654 174.700 0.041 0.000 1.040 834 T CA 1.220 63.336 62.100 0.027 0.000 1.147 834 T CB -0.660 68.209 68.868 0.002 0.000 0.865 834 T HN 0.354 nan 8.240 nan 0.000 0.426 835 G N -0.229 108.602 108.800 0.051 0.000 2.479 835 G HA2 -0.243 3.718 3.960 0.002 0.000 0.220 835 G HA3 -0.243 3.718 3.960 0.002 0.000 0.220 835 G C 1.344 176.325 174.900 0.135 0.000 1.115 835 G CA 0.620 45.755 45.100 0.059 0.000 0.757 835 G HN 0.500 nan 8.290 nan 0.000 0.560 836 Y N 0.628 120.925 120.300 -0.005 0.000 2.301 836 Y HA 0.163 4.714 4.550 0.002 0.000 0.295 836 Y C 2.439 178.357 175.900 0.030 0.000 1.119 836 Y CA -0.584 57.521 58.100 0.008 0.000 1.162 836 Y CB -0.154 38.307 38.460 0.002 0.000 1.046 836 Y HN 0.042 nan 8.280 nan 0.000 0.538 837 I N 0.900 121.448 120.570 -0.037 0.000 2.087 837 I HA -0.367 3.804 4.170 0.002 0.000 0.240 837 I C 2.503 178.562 176.117 -0.097 0.000 1.054 837 I CA 1.661 62.889 61.300 -0.121 0.000 1.311 837 I CB -1.403 36.563 38.000 -0.056 0.000 1.024 837 I HN 0.326 nan 8.210 nan 0.000 0.402 838 Q N 0.098 119.870 119.800 -0.046 0.000 2.135 838 Q HA -0.228 4.114 4.340 0.002 0.000 0.204 838 Q C 2.416 178.400 176.000 -0.028 0.000 0.981 838 Q CA 1.471 57.245 55.803 -0.050 0.000 0.856 838 Q CB -0.118 28.593 28.738 -0.044 0.000 0.902 838 Q HN 0.423 nan 8.270 nan 0.000 0.425 839 R N -0.233 120.283 120.500 0.028 0.000 2.148 839 R HA -0.050 4.291 4.340 0.002 0.000 0.223 839 R C 2.158 178.545 176.300 0.143 0.000 1.088 839 R CA 0.722 56.879 56.100 0.095 0.000 0.985 839 R CB 0.201 30.606 30.300 0.175 0.000 0.880 839 R HN 0.125 nan 8.270 nan 0.000 0.451 840 R N 0.068 120.617 120.500 0.081 0.000 2.051 840 R HA -0.002 4.340 4.340 0.002 0.000 0.225 840 R C 2.349 178.558 176.300 -0.152 0.000 1.155 840 R CA 1.014 57.179 56.100 0.108 0.000 0.945 840 R CB -0.498 29.821 30.300 0.031 0.000 0.840 840 R HN 0.109 nan 8.270 nan 0.000 0.432 841 L N 0.368 121.490 121.223 -0.168 0.000 2.026 841 L HA -0.357 3.984 4.340 0.002 0.000 0.231 841 L C 2.380 179.120 176.870 -0.217 0.000 1.095 841 L CA 1.703 56.418 54.840 -0.209 0.000 0.810 841 L CB -0.670 41.303 42.059 -0.144 0.000 0.909 841 L HN 0.128 nan 8.230 nan 0.000 0.444 842 V N -0.700 119.132 119.914 -0.137 0.000 2.332 842 V HA -0.296 3.826 4.120 0.002 0.000 0.248 842 V C 2.545 178.562 176.094 -0.129 0.000 1.055 842 V CA 1.684 63.917 62.300 -0.112 0.000 1.038 842 V CB -0.514 31.275 31.823 -0.058 0.000 0.651 842 V HN 0.376 nan 8.190 nan 0.000 0.450 843 K N -0.305 120.025 120.400 -0.116 0.000 2.217 843 K HA 0.042 4.363 4.320 0.002 0.000 0.202 843 K C 2.158 178.561 176.600 -0.327 0.000 1.051 843 K CA 1.292 57.515 56.287 -0.106 0.000 0.952 843 K CB -0.416 32.136 32.500 0.087 0.000 0.736 843 K HN 0.491 nan 8.250 nan 0.000 0.453 844 A N 0.993 123.383 122.820 -0.717 0.000 1.872 844 A HA -0.044 4.277 4.320 0.002 0.000 0.214 844 A C 2.144 179.442 177.584 -0.477 0.000 1.187 844 A CA 0.940 52.321 52.037 -1.094 0.000 0.614 844 A CB -0.414 17.638 19.000 -1.579 0.000 0.826 844 A HN 0.198 nan 8.150 nan 0.000 0.442 845 L N -1.285 119.740 121.223 -0.329 0.000 2.270 845 L HA -0.016 4.325 4.340 0.002 0.000 0.210 845 L C 1.972 178.766 176.870 -0.127 0.000 1.104 845 L CA 0.964 55.690 54.840 -0.190 0.000 0.804 845 L CB -0.788 41.183 42.059 -0.147 0.000 0.937 845 L HN 0.586 nan 8.230 nan 0.000 0.450 846 E N 1.791 121.915 120.200 -0.126 0.000 2.831 846 E HA -0.396 3.955 4.350 0.002 0.000 0.227 846 E C 1.153 177.716 176.600 -0.062 0.000 0.895 846 E CA 2.666 59.018 56.400 -0.080 0.000 1.313 846 E CB -0.347 29.315 29.700 -0.062 0.000 1.338 846 E HN 0.704 nan 8.360 nan 0.000 0.485 847 D N 0.395 120.766 120.400 -0.047 0.000 2.390 847 D HA -0.098 4.543 4.640 0.002 0.000 0.235 847 D C 0.420 176.705 176.300 -0.024 0.000 1.040 847 D CA 0.283 54.264 54.000 -0.032 0.000 0.923 847 D CB -0.328 40.465 40.800 -0.012 0.000 0.886 847 D HN 0.123 nan 8.370 nan 0.000 0.532 848 I N 2.129 122.678 120.570 -0.034 0.000 2.505 848 I HA 0.139 4.310 4.170 0.002 0.000 0.287 848 I C 0.728 176.822 176.117 -0.039 0.000 1.104 848 I CA 0.070 61.359 61.300 -0.019 0.000 1.387 848 I CB -0.152 37.837 38.000 -0.017 0.000 1.404 848 I HN 0.157 nan 8.210 nan 0.000 0.528 849 M N 5.778 125.357 119.600 -0.035 0.000 2.575 849 M HA 0.602 5.083 4.480 0.002 0.000 0.284 849 M C -1.509 174.752 176.300 -0.065 0.000 1.253 849 M CA -0.916 54.318 55.300 -0.109 0.000 0.861 849 M CB 2.289 34.772 32.600 -0.195 0.000 1.733 849 M HN -0.032 nan 8.290 nan 0.000 0.462 850 V N 3.291 123.124 119.914 -0.134 0.000 2.455 850 V HA 0.285 4.406 4.120 0.002 0.000 0.273 850 V C 0.304 176.334 176.094 -0.106 0.000 1.045 850 V CA -0.158 62.100 62.300 -0.069 0.000 0.976 850 V CB 0.123 31.859 31.823 -0.146 0.000 0.993 850 V HN 0.774 nan 8.190 nan 0.000 0.475 851 H N 3.038 122.057 119.070 -0.085 0.000 2.490 851 H HA 0.240 4.798 4.556 0.003 0.000 0.354 851 H C -0.586 174.693 175.328 -0.083 0.000 1.365 851 H CA -0.473 55.525 56.048 -0.083 0.000 1.413 851 H CB 0.896 30.665 29.762 0.012 0.000 1.631 851 H HN 0.537 nan 8.280 nan 0.000 0.607 852 Y N 2.100 122.510 120.300 0.184 0.000 2.758 852 Y HA -0.038 4.514 4.550 0.002 0.000 0.351 852 Y C 0.237 176.193 175.900 0.094 0.000 1.214 852 Y CA 0.325 58.491 58.100 0.109 0.000 1.983 852 Y CB -0.368 38.150 38.460 0.097 0.000 2.062 852 Y HN 0.606 nan 8.280 nan 0.000 0.416 853 D N -2.105 118.405 120.400 0.184 0.000 4.172 853 D HA -0.134 4.507 4.640 0.002 0.000 0.230 853 D C 0.234 176.598 176.300 0.106 0.000 0.582 853 D CA 0.047 54.129 54.000 0.137 0.000 0.695 853 D CB -1.303 39.574 40.800 0.128 0.000 1.689 853 D HN 0.405 nan 8.370 nan 0.000 0.148 854 N N -0.476 118.277 118.700 0.088 0.000 2.929 854 N HA -0.178 4.564 4.740 0.002 0.000 0.234 854 N C -0.193 175.382 175.510 0.108 0.000 0.908 854 N CA 1.663 54.762 53.050 0.083 0.000 0.993 854 N CB -1.460 37.074 38.487 0.078 0.000 1.075 854 N HN 0.478 nan 8.380 nan 0.000 0.603 855 T N 1.031 115.650 114.554 0.108 0.000 2.928 855 T HA 0.115 4.467 4.350 0.002 0.000 0.305 855 T C 0.068 174.812 174.700 0.073 0.000 1.035 855 T CA 0.818 62.968 62.100 0.084 0.000 1.145 855 T CB 0.561 69.463 68.868 0.056 0.000 0.963 855 T HN 0.047 nan 8.240 nan 0.000 0.545 856 T N 6.897 121.471 114.554 0.033 0.000 2.770 856 T HA 0.571 4.923 4.350 0.002 0.000 0.297 856 T C -0.080 174.616 174.700 -0.007 0.000 0.997 856 T CA -0.696 61.438 62.100 0.056 0.000 0.949 856 T CB 0.323 69.248 68.868 0.095 0.000 0.941 856 T HN 0.726 nan 8.240 nan 0.000 0.457 857 R N 2.553 123.081 120.500 0.046 0.000 2.870 857 R HA 0.561 4.903 4.340 0.002 0.000 0.262 857 R C -0.529 175.800 176.300 0.048 0.000 1.112 857 R CA -1.237 54.856 56.100 -0.013 0.000 0.976 857 R CB 1.132 31.369 30.300 -0.104 0.000 1.261 857 R HN 0.595 nan 8.270 nan 0.000 0.453 858 N N -0.832 117.877 118.700 0.015 0.000 2.776 858 N HA 0.120 4.861 4.740 0.002 0.000 0.319 858 N C 0.411 175.953 175.510 0.053 0.000 1.316 858 N CA -0.391 52.680 53.050 0.035 0.000 0.890 858 N CB 1.322 39.811 38.487 0.004 0.000 1.165 858 N HN 0.597 nan 8.380 nan 0.000 0.596 859 S N -0.142 115.583 115.700 0.042 0.000 2.419 859 S HA -0.120 4.351 4.470 0.002 0.000 0.235 859 S C 1.847 176.464 174.600 0.027 0.000 1.019 859 S CA 0.843 59.068 58.200 0.042 0.000 0.982 859 S CB -0.670 62.546 63.200 0.028 0.000 0.789 859 S HN 0.503 nan 8.310 nan 0.000 0.490 860 L N 0.697 121.927 121.223 0.013 0.000 2.341 860 L HA 0.278 4.620 4.340 0.002 0.000 0.214 860 L C 2.000 178.861 176.870 -0.015 0.000 1.115 860 L CA 0.569 55.411 54.840 0.003 0.000 0.820 860 L CB -0.532 41.529 42.059 0.003 0.000 0.944 860 L HN 0.603 nan 8.230 nan 0.000 0.452 861 G N -0.375 108.406 108.800 -0.033 0.000 2.144 861 G HA2 -0.229 3.733 3.960 0.002 0.000 0.218 861 G HA3 -0.229 3.733 3.960 0.002 0.000 0.218 861 G C -0.159 174.696 174.900 -0.074 0.000 0.988 861 G CA -0.382 44.671 45.100 -0.077 0.000 0.659 861 G HN 0.295 nan 8.290 nan 0.000 0.522 862 N N 1.070 119.737 118.700 -0.054 0.000 2.427 862 N HA 0.335 5.077 4.740 0.002 0.000 0.269 862 N C 0.848 176.292 175.510 -0.110 0.000 1.235 862 N CA 0.079 53.092 53.050 -0.063 0.000 0.934 862 N CB 1.315 39.779 38.487 -0.039 0.000 1.121 862 N HN 0.236 nan 8.380 nan 0.000 0.480 863 V N 3.664 123.478 119.914 -0.167 0.000 2.720 863 V HA -0.073 4.049 4.120 0.002 0.000 0.307 863 V C 1.605 177.527 176.094 -0.287 0.000 1.071 863 V CA 0.472 62.588 62.300 -0.306 0.000 1.199 863 V CB 0.247 31.720 31.823 -0.582 0.000 0.900 863 V HN 0.534 nan 8.190 nan 0.000 0.494 864 I N 2.131 122.544 120.570 -0.263 0.000 3.518 864 I HA 0.219 4.391 4.170 0.002 0.000 0.260 864 I C 0.752 176.743 176.117 -0.209 0.000 1.148 864 I CA 0.585 61.776 61.300 -0.181 0.000 1.440 864 I CB -0.316 37.629 38.000 -0.092 0.000 1.485 864 I HN 0.579 nan 8.210 nan 0.000 0.456 865 Q N -0.334 119.354 119.800 -0.187 0.000 2.348 865 Q HA 0.440 4.782 4.340 0.002 0.000 0.271 865 Q C -0.059 175.815 176.000 -0.211 0.000 1.067 865 Q CA -0.549 55.169 55.803 -0.142 0.000 0.839 865 Q CB 2.717 31.445 28.738 -0.017 0.000 1.354 865 Q HN 0.035 nan 8.270 nan 0.000 0.447 866 F N 0.328 120.294 119.950 0.026 0.000 2.387 866 F HA 0.170 4.699 4.527 0.003 0.000 0.294 866 F C 0.683 176.508 175.800 0.041 0.000 1.093 866 F CA 0.312 58.330 58.000 0.029 0.000 1.420 866 F CB 0.593 39.604 39.000 0.019 0.000 1.086 866 F HN 0.349 nan 8.300 nan 0.000 0.531 867 I N -1.899 118.801 120.570 0.217 0.000 2.498 867 I HA 0.222 4.393 4.170 0.002 0.000 0.290 867 I C -0.809 175.382 176.117 0.124 0.000 1.032 867 I CA -1.489 59.900 61.300 0.148 0.000 1.073 867 I CB 0.962 39.031 38.000 0.114 0.000 1.251 867 I HN -0.181 nan 8.210 nan 0.000 0.426 868 Y N 5.256 125.573 120.300 0.027 0.000 2.810 868 Y HA 0.259 4.810 4.550 0.003 0.000 0.332 868 Y C 1.370 177.281 175.900 0.019 0.000 1.243 868 Y CA 0.996 59.101 58.100 0.009 0.000 1.537 868 Y CB 0.418 38.874 38.460 -0.008 0.000 1.265 868 Y HN 0.940 nan 8.280 nan 0.000 0.572 869 G N 5.277 113.622 108.800 -0.757 0.000 2.395 869 G HA2 -0.357 3.604 3.960 0.002 0.000 0.300 869 G HA3 -0.357 3.604 3.960 0.002 0.000 0.300 869 G C 0.360 175.172 174.900 -0.148 0.000 0.998 869 G CA 0.692 45.459 45.100 -0.555 0.000 1.046 869 G HN 1.024 nan 8.290 nan 0.000 0.513 870 E N -1.210 118.959 120.200 -0.051 0.000 2.885 870 E HA -0.323 4.028 4.350 0.002 0.000 0.267 870 E C 1.196 177.816 176.600 0.032 0.000 1.100 870 E CA 1.489 57.910 56.400 0.034 0.000 0.779 870 E CB -0.307 29.442 29.700 0.081 0.000 1.383 870 E HN 0.935 nan 8.360 nan 0.000 0.443 871 D N -2.035 118.374 120.400 0.015 0.000 2.489 871 D HA 0.048 4.690 4.640 0.002 0.000 0.343 871 D C 0.777 177.093 176.300 0.027 0.000 1.295 871 D CA 0.542 54.561 54.000 0.030 0.000 0.908 871 D CB -0.406 40.411 40.800 0.029 0.000 1.382 871 D HN 0.292 nan 8.370 nan 0.000 0.468 872 G N 1.673 110.499 108.800 0.043 0.000 2.359 872 G HA2 -0.192 3.770 3.960 0.002 0.000 0.298 872 G HA3 -0.192 3.770 3.960 0.002 0.000 0.298 872 G C -0.357 174.548 174.900 0.009 0.000 1.030 872 G CA 0.801 45.946 45.100 0.076 0.000 1.149 872 G HN 0.398 nan 8.290 nan 0.000 0.512 873 M N 0.774 120.395 119.600 0.035 0.000 2.213 873 M HA 0.378 4.859 4.480 0.002 0.000 0.286 873 M C -0.401 175.944 176.300 0.076 0.000 1.008 873 M CA -1.130 54.136 55.300 -0.058 0.000 0.937 873 M CB 1.672 34.197 32.600 -0.126 0.000 1.600 873 M HN 0.231 nan 8.290 nan 0.000 0.450 874 D N 3.042 123.454 120.400 0.019 0.000 2.487 874 D HA 0.125 4.766 4.640 0.002 0.000 0.243 874 D C 0.721 177.138 176.300 0.195 0.000 1.154 874 D CA 0.508 54.587 54.000 0.131 0.000 0.876 874 D CB 1.331 42.183 40.800 0.087 0.000 1.161 874 D HN 0.800 nan 8.370 nan 0.000 0.478 875 A N 4.001 126.952 122.820 0.219 0.000 2.125 875 A HA -0.043 4.278 4.320 0.002 0.000 0.219 875 A C 2.049 179.725 177.584 0.153 0.000 1.156 875 A CA 1.676 53.811 52.037 0.164 0.000 0.671 875 A CB -0.304 18.775 19.000 0.132 0.000 0.794 875 A HN 0.660 nan 8.150 nan 0.000 0.459 876 A N -1.317 121.595 122.820 0.152 0.000 2.014 876 A HA -0.093 4.228 4.320 0.002 0.000 0.218 876 A C 1.671 179.220 177.584 -0.059 0.000 1.163 876 A CA 1.014 53.056 52.037 0.008 0.000 0.652 876 A CB -0.646 18.296 19.000 -0.097 0.000 0.808 876 A HN 0.697 nan 8.150 nan 0.000 0.449 877 H N -1.142 117.949 119.070 0.035 0.000 2.538 877 H HA 0.347 4.905 4.556 0.002 0.000 0.286 877 H C -0.515 174.842 175.328 0.049 0.000 1.035 877 H CA 0.060 56.123 56.048 0.026 0.000 1.169 877 H CB 0.092 29.834 29.762 -0.034 0.000 1.417 877 H HN 0.343 nan 8.280 nan 0.000 0.567 878 I N 1.781 122.456 120.570 0.174 0.000 2.433 878 I HA 0.197 4.369 4.170 0.002 0.000 0.292 878 I C -0.262 175.962 176.117 0.178 0.000 1.001 878 I CA -0.471 60.922 61.300 0.155 0.000 1.119 878 I CB 2.154 40.240 38.000 0.144 0.000 1.289 878 I HN 0.058 nan 8.210 nan 0.000 0.438 879 E N 4.715 124.996 120.200 0.136 0.000 2.343 879 E HA 0.269 4.620 4.350 0.002 0.000 0.270 879 E C -1.003 175.635 176.600 0.062 0.000 0.895 879 E CA -1.135 55.311 56.400 0.077 0.000 0.767 879 E CB 2.750 32.446 29.700 -0.008 0.000 1.248 879 E HN 0.368 nan 8.360 nan 0.000 0.440 880 K N 2.897 123.302 120.400 0.009 0.000 2.167 880 K HA 0.068 4.389 4.320 0.002 0.000 0.275 880 K C -0.801 175.783 176.600 -0.026 0.000 1.103 880 K CA 0.219 56.492 56.287 -0.022 0.000 0.963 880 K CB 0.211 32.653 32.500 -0.096 0.000 1.243 880 K HN 0.417 nan 8.250 nan 0.000 0.407 881 Q N 1.752 121.565 119.800 0.021 0.000 2.274 881 Q HA 0.149 4.491 4.340 0.002 0.000 0.260 881 Q C -0.541 175.470 176.000 0.018 0.000 0.974 881 Q CA -0.777 55.041 55.803 0.026 0.000 0.876 881 Q CB 2.000 30.780 28.738 0.069 0.000 1.297 881 Q HN 0.713 nan 8.270 nan 0.000 0.446 882 S N 2.427 118.130 115.700 0.004 0.000 2.505 882 S HA 0.250 4.722 4.470 0.002 0.000 0.276 882 S C -0.114 174.505 174.600 0.032 0.000 1.274 882 S CA -0.606 57.592 58.200 -0.002 0.000 1.053 882 S CB 0.202 63.395 63.200 -0.012 0.000 0.919 882 S HN 0.578 nan 8.310 nan 0.000 0.490 883 L N 3.875 125.119 121.223 0.036 0.000 2.422 883 L HA 0.244 4.586 4.340 0.002 0.000 0.256 883 L C 0.239 177.148 176.870 0.065 0.000 1.202 883 L CA -0.576 54.297 54.840 0.054 0.000 1.119 883 L CB -0.123 41.965 42.059 0.049 0.000 1.383 883 L HN 0.779 nan 8.230 nan 0.000 0.411 884 D N -1.674 118.775 120.400 0.082 0.000 2.323 884 D HA -0.072 4.570 4.640 0.002 0.000 0.239 884 D C 1.361 177.732 176.300 0.120 0.000 1.129 884 D CA 0.011 54.069 54.000 0.097 0.000 0.865 884 D CB -0.155 40.706 40.800 0.102 0.000 0.913 884 D HN 0.314 nan 8.370 nan 0.000 0.517 885 T N -0.197 114.416 114.554 0.099 0.000 2.904 885 T HA -0.018 4.333 4.350 0.002 0.000 0.267 885 T C 1.966 176.754 174.700 0.147 0.000 1.059 885 T CA 0.179 62.328 62.100 0.082 0.000 1.137 885 T CB 0.113 69.020 68.868 0.065 0.000 0.879 885 T HN 0.156 nan 8.240 nan 0.000 0.467 886 I N 1.763 122.406 120.570 0.121 0.000 2.179 886 I HA -0.015 4.156 4.170 0.002 0.000 0.242 886 I C 1.961 178.169 176.117 0.152 0.000 1.088 886 I CA 0.825 62.203 61.300 0.129 0.000 1.357 886 I CB -1.575 36.476 38.000 0.085 0.000 1.051 886 I HN 0.284 nan 8.210 nan 0.000 0.409 887 G N -0.218 108.647 108.800 0.108 0.000 2.684 887 G HA2 0.397 4.359 3.960 0.002 0.000 0.255 887 G HA3 0.397 4.359 3.960 0.002 0.000 0.255 887 G C 0.269 175.271 174.900 0.169 0.000 1.219 887 G CA 0.475 45.645 45.100 0.117 0.000 0.901 887 G HN 0.672 nan 8.290 nan 0.000 0.548 888 G N -1.260 107.638 108.800 0.162 0.000 2.758 888 G HA2 0.174 4.136 3.960 0.002 0.000 0.686 888 G HA3 0.174 4.136 3.960 0.002 0.000 0.686 888 G C 0.151 175.127 174.900 0.127 0.000 1.389 888 G CA -0.097 45.086 45.100 0.139 0.000 0.845 888 G HN 1.547 nan 8.290 nan 0.000 0.572 889 S N 0.221 115.982 115.700 0.102 0.000 2.576 889 S HA 0.261 4.732 4.470 0.002 0.000 0.272 889 S C 1.193 175.846 174.600 0.088 0.000 1.352 889 S CA 0.131 58.374 58.200 0.072 0.000 1.021 889 S CB 1.259 64.498 63.200 0.064 0.000 0.887 889 S HN 0.621 nan 8.310 nan 0.000 0.542 890 D N 1.445 121.862 120.400 0.029 0.000 2.144 890 D HA -0.107 4.534 4.640 0.002 0.000 0.199 890 D C 2.123 178.486 176.300 0.105 0.000 0.984 890 D CA 1.377 55.384 54.000 0.011 0.000 0.834 890 D CB -0.314 40.456 40.800 -0.050 0.000 0.955 890 D HN 0.628 nan 8.370 nan 0.000 0.465 891 A N 1.470 124.342 122.820 0.087 0.000 1.851 891 A HA -0.143 4.179 4.320 0.002 0.000 0.216 891 A C 2.350 180.020 177.584 0.145 0.000 1.195 891 A CA 2.444 54.542 52.037 0.102 0.000 0.622 891 A CB -0.838 18.203 19.000 0.068 0.000 0.831 891 A HN 0.248 nan 8.150 nan 0.000 0.444 892 A N -2.049 120.855 122.820 0.140 0.000 2.125 892 A HA 0.040 4.361 4.320 0.002 0.000 0.219 892 A C 1.943 179.653 177.584 0.210 0.000 1.156 892 A CA 1.420 53.544 52.037 0.145 0.000 0.671 892 A CB -0.611 18.459 19.000 0.115 0.000 0.794 892 A HN 0.740 nan 8.150 nan 0.000 0.459 893 F N -0.215 119.785 119.950 0.083 0.000 2.220 893 F HA 0.065 4.593 4.527 0.002 0.000 0.290 893 F C 2.122 178.027 175.800 0.175 0.000 1.080 893 F CA 1.342 59.393 58.000 0.085 0.000 1.318 893 F CB -0.002 38.986 39.000 -0.020 0.000 1.063 893 F HN 0.285 nan 8.300 nan 0.000 0.498 894 E N 0.694 121.205 120.200 0.518 0.000 2.058 894 E HA -0.267 4.085 4.350 0.002 0.000 0.194 894 E C 2.099 178.831 176.600 0.220 0.000 0.997 894 E CA 1.313 57.948 56.400 0.393 0.000 0.801 894 E CB -0.106 29.741 29.700 0.245 0.000 0.746 894 E HN 0.329 nan 8.360 nan 0.000 0.450 895 K N -0.029 120.479 120.400 0.180 0.000 2.293 895 K HA -0.211 4.111 4.320 0.002 0.000 0.204 895 K C 2.186 178.841 176.600 0.090 0.000 1.045 895 K CA 1.134 57.498 56.287 0.129 0.000 0.933 895 K CB 0.011 32.574 32.500 0.104 0.000 0.736 895 K HN -0.004 nan 8.250 nan 0.000 0.463 896 R N -1.286 119.282 120.500 0.113 0.000 2.121 896 R HA 0.009 4.350 4.340 0.002 0.000 0.206 896 R C 1.212 177.487 176.300 -0.040 0.000 1.094 896 R CA 0.696 56.818 56.100 0.036 0.000 1.055 896 R CB 0.282 30.645 30.300 0.106 0.000 0.964 896 R HN 0.129 nan 8.270 nan 0.000 0.473 897 Y N -0.473 119.737 120.300 -0.150 0.000 2.462 897 Y HA 0.275 4.827 4.550 0.002 0.000 0.253 897 Y C 0.307 176.254 175.900 0.080 0.000 1.095 897 Y CA -0.322 57.717 58.100 -0.103 0.000 1.283 897 Y CB 0.267 38.550 38.460 -0.295 0.000 1.138 897 Y HN -0.173 nan 8.280 nan 0.000 0.522 898 R N 1.450 122.092 120.500 0.237 0.000 2.248 898 R HA 0.426 4.767 4.340 0.002 0.000 0.328 898 R C -1.487 174.789 176.300 -0.040 0.000 1.067 898 R CA -0.010 56.077 56.100 -0.022 0.000 0.924 898 R CB 0.037 30.183 30.300 -0.257 0.000 1.013 898 R HN -0.094 nan 8.270 nan 0.000 0.454 899 V N 4.921 124.802 119.914 -0.055 0.000 2.448 899 V HA 0.314 4.435 4.120 0.002 0.000 0.295 899 V C -0.800 175.256 176.094 -0.063 0.000 1.025 899 V CA -0.715 61.565 62.300 -0.034 0.000 0.859 899 V CB 1.719 33.532 31.823 -0.017 0.000 0.988 899 V HN 0.726 nan 8.190 nan 0.000 0.431 900 D N 3.891 124.270 120.400 -0.035 0.000 2.469 900 D HA 0.408 5.050 4.640 0.002 0.000 0.251 900 D C 0.606 176.901 176.300 -0.009 0.000 1.173 900 D CA -0.332 53.644 54.000 -0.041 0.000 0.882 900 D CB 1.772 42.542 40.800 -0.050 0.000 1.129 900 D HN 0.346 nan 8.370 nan 0.000 0.549 901 L N 2.537 123.750 121.223 -0.017 0.000 2.131 901 L HA -0.016 4.325 4.340 0.002 0.000 0.206 901 L C 1.286 178.151 176.870 -0.007 0.000 1.087 901 L CA 0.761 55.594 54.840 -0.011 0.000 0.767 901 L CB -0.204 41.846 42.059 -0.014 0.000 0.917 901 L HN 0.416 nan 8.230 nan 0.000 0.441 902 L N -0.966 120.252 121.223 -0.009 0.000 2.727 902 L HA 0.367 4.708 4.340 0.002 0.000 0.237 902 L C -0.195 176.676 176.870 0.002 0.000 1.370 902 L CA 0.210 55.047 54.840 -0.006 0.000 1.248 902 L CB -0.740 41.313 42.059 -0.010 0.000 1.556 902 L HN 0.062 nan 8.230 nan 0.000 0.420 903 N N -0.608 118.099 118.700 0.012 0.000 3.049 903 N HA 0.073 4.814 4.740 0.002 0.000 0.241 903 N C 0.652 176.177 175.510 0.025 0.000 1.323 903 N CA 0.025 53.094 53.050 0.033 0.000 0.824 903 N CB 1.141 39.671 38.487 0.072 0.000 1.557 903 N HN 0.138 nan 8.380 nan 0.000 0.612 904 T N 0.706 115.262 114.554 0.005 0.000 2.714 904 T HA -0.186 4.166 4.350 0.002 0.000 0.268 904 T C 0.651 175.330 174.700 -0.035 0.000 1.036 904 T CA 1.910 64.001 62.100 -0.014 0.000 1.148 904 T CB 0.023 68.881 68.868 -0.017 0.000 0.856 904 T HN 0.477 nan 8.240 nan 0.000 0.462 905 D N -0.121 120.248 120.400 -0.053 0.000 2.162 905 D HA -0.013 4.628 4.640 0.002 0.000 0.205 905 D C 1.441 177.594 176.300 -0.244 0.000 0.964 905 D CA 0.831 54.734 54.000 -0.161 0.000 0.847 905 D CB -0.145 40.521 40.800 -0.222 0.000 0.988 905 D HN 0.478 nan 8.370 nan 0.000 0.480 906 H N -0.005 119.045 119.070 -0.033 0.000 2.568 906 H HA 0.285 4.842 4.556 0.002 0.000 0.302 906 H C -0.017 175.283 175.328 -0.046 0.000 1.065 906 H CA 0.209 56.233 56.048 -0.041 0.000 1.140 906 H CB -0.092 29.640 29.762 -0.050 0.000 1.474 906 H HN 0.005 nan 8.280 nan 0.000 0.545 907 T N 0.813 115.381 114.554 0.023 0.000 2.936 907 T HA 0.359 4.710 4.350 0.002 0.000 0.282 907 T C 0.696 175.386 174.700 -0.017 0.000 1.003 907 T CA -0.830 61.272 62.100 0.002 0.000 1.005 907 T CB 1.666 70.529 68.868 -0.007 0.000 1.097 907 T HN 0.096 nan 8.240 nan 0.000 0.532 908 L N 2.124 123.333 121.223 -0.023 0.000 2.385 908 L HA 0.262 4.604 4.340 0.002 0.000 0.281 908 L C 0.504 177.356 176.870 -0.030 0.000 1.106 908 L CA -0.571 54.251 54.840 -0.031 0.000 0.856 908 L CB -0.428 41.609 42.059 -0.036 0.000 1.186 908 L HN 0.596 nan 8.230 nan 0.000 0.453 909 D N 5.397 125.778 120.400 -0.032 0.000 2.488 909 D HA 0.017 4.658 4.640 0.002 0.000 0.238 909 D C -1.461 174.824 176.300 -0.025 0.000 1.138 909 D CA -1.071 52.911 54.000 -0.029 0.000 0.873 909 D CB 1.092 41.874 40.800 -0.030 0.000 1.183 909 D HN 0.264 nan 8.370 nan 0.000 0.458 910 P HA -0.142 nan 4.420 nan 0.000 0.227 910 P C 1.082 178.372 177.300 -0.017 0.000 1.145 910 P CA 0.585 63.674 63.100 -0.019 0.000 0.769 910 P CB 0.178 31.868 31.700 -0.017 0.000 0.769 911 S N -0.653 115.037 115.700 -0.016 0.000 2.351 911 S HA -0.145 4.327 4.470 0.002 0.000 0.220 911 S C 1.672 176.265 174.600 -0.012 0.000 1.035 911 S CA 1.247 59.440 58.200 -0.012 0.000 1.031 911 S CB -0.837 62.356 63.200 -0.011 0.000 0.928 911 S HN 0.038 nan 8.310 nan 0.000 0.433 912 L N 0.527 121.740 121.223 -0.017 0.000 2.005 912 L HA 0.101 4.443 4.340 0.002 0.000 0.207 912 L C 1.278 178.133 176.870 -0.024 0.000 1.072 912 L CA 0.513 55.341 54.840 -0.019 0.000 0.744 912 L CB -0.470 41.571 42.059 -0.030 0.000 0.895 912 L HN 0.308 nan 8.230 nan 0.000 0.433 913 L N 0.358 121.564 121.223 -0.028 0.000 2.360 913 L HA 0.131 4.473 4.340 0.002 0.000 0.271 913 L C 1.170 178.025 176.870 -0.025 0.000 1.057 913 L CA 0.405 55.226 54.840 -0.032 0.000 0.803 913 L CB 1.665 43.701 42.059 -0.038 0.000 1.207 913 L HN 0.116 nan 8.230 nan 0.000 0.445 914 E N 0.691 120.875 120.200 -0.025 0.000 2.046 914 E HA -0.079 4.273 4.350 0.002 0.000 0.190 914 E C 0.588 177.176 176.600 -0.020 0.000 0.982 914 E CA 0.866 57.254 56.400 -0.020 0.000 0.800 914 E CB 0.309 29.997 29.700 -0.019 0.000 0.756 914 E HN 0.626 nan 8.360 nan 0.000 0.449 915 S N 0.474 116.160 115.700 -0.023 0.000 3.324 915 S HA 0.164 4.635 4.470 0.002 0.000 0.229 915 S C 0.699 175.285 174.600 -0.023 0.000 1.417 915 S CA -0.020 58.167 58.200 -0.022 0.000 1.211 915 S CB 0.655 63.841 63.200 -0.024 0.000 1.157 915 S HN 0.400 nan 8.310 nan 0.000 0.491 916 G N 2.763 111.550 108.800 -0.022 0.000 2.496 916 G HA2 -0.165 3.796 3.960 0.002 0.000 0.214 916 G HA3 -0.165 3.796 3.960 0.002 0.000 0.214 916 G C 1.583 176.471 174.900 -0.020 0.000 1.234 916 G CA 0.872 45.959 45.100 -0.022 0.000 0.807 916 G HN 0.669 nan 8.290 nan 0.000 0.543 917 S N 1.217 116.907 115.700 -0.017 0.000 2.436 917 S HA -0.051 4.421 4.470 0.002 0.000 0.228 917 S C 1.878 176.469 174.600 -0.014 0.000 1.014 917 S CA 1.459 59.650 58.200 -0.015 0.000 0.950 917 S CB -0.086 63.106 63.200 -0.014 0.000 0.784 917 S HN 0.628 nan 8.310 nan 0.000 0.504 918 E N 0.840 121.031 120.200 -0.014 0.000 2.512 918 E HA 0.095 4.447 4.350 0.002 0.000 0.195 918 E C 1.247 177.839 176.600 -0.014 0.000 1.083 918 E CA 0.454 56.846 56.400 -0.013 0.000 0.873 918 E CB -0.181 29.512 29.700 -0.012 0.000 0.897 918 E HN 0.467 nan 8.360 nan 0.000 0.514 919 I N 0.207 120.768 120.570 -0.016 0.000 4.032 919 I HA 0.155 4.326 4.170 0.002 0.000 0.313 919 I C 0.917 177.026 176.117 -0.015 0.000 1.272 919 I CA -0.341 60.949 61.300 -0.016 0.000 1.307 919 I CB -0.426 37.562 38.000 -0.020 0.000 1.155 919 I HN 0.280 nan 8.210 nan 0.000 0.431 920 L N 2.726 123.941 121.223 -0.014 0.000 2.700 920 L HA 0.197 4.538 4.340 0.002 0.000 0.276 920 L C 0.972 177.836 176.870 -0.011 0.000 1.200 920 L CA 1.218 56.050 54.840 -0.013 0.000 0.951 920 L CB -0.522 41.529 42.059 -0.013 0.000 1.226 920 L HN 0.552 nan 8.230 nan 0.000 0.489 921 G N 3.836 112.630 108.800 -0.010 0.000 2.541 921 G HA2 -0.178 3.783 3.960 0.002 0.000 0.208 921 G HA3 -0.178 3.783 3.960 0.002 0.000 0.208 921 G C -0.462 174.433 174.900 -0.009 0.000 1.191 921 G CA -0.148 44.947 45.100 -0.009 0.000 1.217 921 G HN 0.874 nan 8.290 nan 0.000 0.566 922 D N -1.132 119.262 120.400 -0.009 0.000 10.939 922 D HA -0.107 4.534 4.640 0.002 0.000 0.352 922 D C 0.798 177.093 176.300 -0.008 0.000 3.119 922 D CA 1.513 55.508 54.000 -0.009 0.000 2.660 922 D CB -0.632 40.163 40.800 -0.010 0.000 1.167 922 D HN 0.982 nan 8.370 nan 0.000 0.934 923 L N 1.992 123.211 121.223 -0.007 0.000 3.227 923 L HA 0.169 4.510 4.340 0.002 0.000 0.287 923 L C 2.231 179.098 176.870 -0.004 0.000 1.161 923 L CA -0.404 54.433 54.840 -0.006 0.000 1.048 923 L CB 0.064 42.120 42.059 -0.005 0.000 1.541 923 L HN 0.214 nan 8.230 nan 0.000 0.590 924 K N 0.716 121.113 120.400 -0.005 0.000 2.228 924 K HA 0.134 4.456 4.320 0.002 0.000 0.202 924 K C 1.522 178.120 176.600 -0.004 0.000 1.051 924 K CA 0.961 57.246 56.287 -0.004 0.000 0.960 924 K CB 0.310 32.807 32.500 -0.004 0.000 0.743 924 K HN 0.242 nan 8.250 nan 0.000 0.458 925 L N 0.331 121.550 121.223 -0.006 0.000 2.640 925 L HA 0.079 4.420 4.340 0.002 0.000 0.230 925 L C 1.764 178.630 176.870 -0.006 0.000 1.123 925 L CA 0.043 54.879 54.840 -0.007 0.000 0.900 925 L CB 0.364 42.416 42.059 -0.012 0.000 1.146 925 L HN 0.024 nan 8.230 nan 0.000 0.484 926 Q N -0.637 119.160 119.800 -0.005 0.000 2.356 926 Q HA 0.068 4.409 4.340 0.002 0.000 0.205 926 Q C 1.973 177.975 176.000 0.003 0.000 0.901 926 Q CA 0.447 56.247 55.803 -0.005 0.000 0.938 926 Q CB 0.875 29.607 28.738 -0.010 0.000 1.081 926 Q HN 0.315 nan 8.270 nan 0.000 0.517 927 V N 0.068 119.985 119.914 0.004 0.000 2.591 927 V HA -0.106 4.016 4.120 0.002 0.000 0.249 927 V C 1.911 178.015 176.094 0.016 0.000 1.053 927 V CA 1.048 63.353 62.300 0.009 0.000 1.068 927 V CB 0.013 31.840 31.823 0.006 0.000 0.689 927 V HN 0.250 nan 8.190 nan 0.000 0.462 928 L N -1.109 120.122 121.223 0.013 0.000 2.102 928 L HA 0.002 4.343 4.340 0.002 0.000 0.202 928 L C 2.353 179.240 176.870 0.029 0.000 1.076 928 L CA 0.648 55.499 54.840 0.017 0.000 0.761 928 L CB -0.463 41.601 42.059 0.008 0.000 0.921 928 L HN 0.264 nan 8.230 nan 0.000 0.444 929 L N 0.216 121.453 121.223 0.023 0.000 2.081 929 L HA -0.277 4.065 4.340 0.002 0.000 0.212 929 L C 2.124 179.036 176.870 0.070 0.000 1.080 929 L CA 1.970 56.831 54.840 0.036 0.000 0.754 929 L CB -1.002 41.063 42.059 0.011 0.000 0.893 929 L HN 0.320 nan 8.230 nan 0.000 0.433 930 D N -0.610 119.823 120.400 0.055 0.000 2.084 930 D HA -0.200 4.442 4.640 0.002 0.000 0.196 930 D C 1.988 178.355 176.300 0.111 0.000 0.985 930 D CA 1.047 55.098 54.000 0.085 0.000 0.826 930 D CB 0.073 40.901 40.800 0.047 0.000 0.978 930 D HN 0.248 nan 8.370 nan 0.000 0.456 931 E N 1.296 121.537 120.200 0.068 0.000 2.095 931 E HA -0.248 4.103 4.350 0.002 0.000 0.212 931 E C 1.880 178.518 176.600 0.064 0.000 1.044 931 E CA 1.644 58.076 56.400 0.054 0.000 0.857 931 E CB -0.155 29.565 29.700 0.032 0.000 0.764 931 E HN 0.319 nan 8.360 nan 0.000 0.462 932 E N -1.295 118.951 120.200 0.076 0.000 2.017 932 E HA -0.215 4.136 4.350 0.002 0.000 0.193 932 E C 2.079 178.750 176.600 0.119 0.000 0.997 932 E CA 1.232 57.682 56.400 0.082 0.000 0.804 932 E CB -0.429 29.320 29.700 0.081 0.000 0.757 932 E HN 0.418 nan 8.360 nan 0.000 0.448 933 Y N 1.577 121.910 120.300 0.055 0.000 2.365 933 Y HA -0.269 4.282 4.550 0.003 0.000 0.287 933 Y C 2.212 178.159 175.900 0.079 0.000 1.162 933 Y CA 1.755 59.905 58.100 0.083 0.000 1.260 933 Y CB 0.072 38.578 38.460 0.076 0.000 0.976 933 Y HN -0.097 nan 8.280 nan 0.000 0.548 934 K N -0.498 119.963 120.400 0.101 0.000 2.044 934 K HA -0.211 4.111 4.320 0.002 0.000 0.204 934 K C 2.213 178.785 176.600 -0.047 0.000 1.049 934 K CA 1.297 57.599 56.287 0.025 0.000 0.945 934 K CB -0.129 32.404 32.500 0.055 0.000 0.724 934 K HN 0.220 nan 8.250 nan 0.000 0.440 935 Q N 0.971 120.754 119.800 -0.027 0.000 2.124 935 Q HA -0.066 4.275 4.340 0.002 0.000 0.202 935 Q C 1.764 177.727 176.000 -0.061 0.000 0.977 935 Q CA 1.392 57.169 55.803 -0.042 0.000 0.850 935 Q CB -0.140 28.581 28.738 -0.028 0.000 0.901 935 Q HN 0.356 nan 8.270 nan 0.000 0.429 936 L N -0.916 120.262 121.223 -0.075 0.000 2.131 936 L HA -0.148 4.193 4.340 0.002 0.000 0.210 936 L C 2.011 178.844 176.870 -0.062 0.000 1.092 936 L CA 0.765 55.563 54.840 -0.070 0.000 0.759 936 L CB -0.247 41.750 42.059 -0.103 0.000 0.903 936 L HN 0.148 nan 8.230 nan 0.000 0.435 937 V N -0.487 119.308 119.914 -0.198 0.000 2.599 937 V HA -0.183 3.938 4.120 0.002 0.000 0.245 937 V C 2.424 178.427 176.094 -0.153 0.000 1.046 937 V CA 1.240 63.382 62.300 -0.264 0.000 1.065 937 V CB -0.266 31.362 31.823 -0.326 0.000 0.703 937 V HN 0.407 nan 8.190 nan 0.000 0.464 938 K N 0.356 120.699 120.400 -0.095 0.000 2.063 938 K HA -0.257 4.065 4.320 0.002 0.000 0.208 938 K C 1.723 178.322 176.600 -0.001 0.000 1.048 938 K CA 2.138 58.398 56.287 -0.044 0.000 0.928 938 K CB -0.199 32.276 32.500 -0.041 0.000 0.713 938 K HN 0.399 nan 8.250 nan 0.000 0.442 939 D N 0.371 120.760 120.400 -0.018 0.000 2.078 939 D HA -0.163 4.479 4.640 0.002 0.000 0.193 939 D C 1.961 178.314 176.300 0.089 0.000 0.990 939 D CA 0.953 54.973 54.000 0.032 0.000 0.827 939 D CB -0.268 40.532 40.800 -0.000 0.000 0.975 939 D HN 0.191 nan 8.370 nan 0.000 0.451 940 R N 0.795 121.304 120.500 0.015 0.000 2.133 940 R HA -0.200 4.142 4.340 0.002 0.000 0.247 940 R C 2.039 178.335 176.300 -0.007 0.000 1.151 940 R CA 1.534 57.628 56.100 -0.010 0.000 0.971 940 R CB -0.042 30.147 30.300 -0.186 0.000 0.866 940 R HN 0.114 nan 8.270 nan 0.000 0.447 941 K N -0.668 119.717 120.400 -0.024 0.000 2.076 941 K HA -0.126 4.195 4.320 0.002 0.000 0.204 941 K C 1.980 178.597 176.600 0.028 0.000 1.051 941 K CA 1.056 57.331 56.287 -0.020 0.000 0.949 941 K CB -0.268 32.204 32.500 -0.048 0.000 0.726 941 K HN 0.118 nan 8.250 nan 0.000 0.443 942 F N 1.712 121.627 119.950 -0.057 0.000 2.154 942 F HA -0.230 4.299 4.527 0.002 0.000 0.301 942 F C 1.530 177.301 175.800 -0.049 0.000 1.087 942 F CA 1.348 59.314 58.000 -0.057 0.000 1.274 942 F CB -0.017 38.950 39.000 -0.054 0.000 1.009 942 F HN -0.022 nan 8.300 nan 0.000 0.485 943 L N 0.130 121.472 121.223 0.200 0.000 1.988 943 L HA -0.161 4.180 4.340 0.002 0.000 0.207 943 L C 2.655 179.542 176.870 0.028 0.000 1.071 943 L CA 1.362 56.293 54.840 0.152 0.000 0.744 943 L CB -0.727 41.493 42.059 0.268 0.000 0.893 943 L HN -0.060 nan 8.230 nan 0.000 0.433 944 R N -0.175 120.363 120.500 0.062 0.000 2.211 944 R HA -0.234 4.107 4.340 0.002 0.000 0.240 944 R C 2.079 178.364 176.300 -0.025 0.000 1.144 944 R CA 1.371 57.522 56.100 0.085 0.000 0.992 944 R CB -0.257 30.101 30.300 0.097 0.000 0.869 944 R HN 0.479 nan 8.270 nan 0.000 0.462 945 E N 0.013 120.119 120.200 -0.156 0.000 2.076 945 E HA -0.105 4.247 4.350 0.002 0.000 0.190 945 E C 1.809 178.199 176.600 -0.350 0.000 0.979 945 E CA 0.757 57.007 56.400 -0.250 0.000 0.807 945 E CB 0.320 29.823 29.700 -0.329 0.000 0.761 945 E HN 0.052 nan 8.360 nan 0.000 0.454 946 V N 0.242 119.845 119.914 -0.519 0.000 2.256 946 V HA -0.136 3.985 4.120 0.002 0.000 0.240 946 V C 0.803 176.513 176.094 -0.640 0.000 1.036 946 V CA 1.270 63.141 62.300 -0.715 0.000 1.008 946 V CB -0.310 30.895 31.823 -1.029 0.000 0.648 946 V HN 0.188 nan 8.190 nan 0.000 0.453 947 F N 0.416 120.230 119.950 -0.228 0.000 2.626 947 F HA 0.281 4.809 4.527 0.002 0.000 0.353 947 F C 1.265 177.047 175.800 -0.031 0.000 1.230 947 F CA -0.288 57.630 58.000 -0.137 0.000 1.298 947 F CB -0.332 38.605 39.000 -0.106 0.000 1.670 947 F HN -0.148 nan 8.300 nan 0.000 0.633 948 V N 0.376 120.321 119.914 0.052 0.000 2.546 948 V HA -0.336 3.786 4.120 0.002 0.000 0.254 948 V C 1.489 177.674 176.094 0.152 0.000 1.076 948 V CA 2.066 64.411 62.300 0.075 0.000 1.087 948 V CB -0.665 31.159 31.823 0.001 0.000 0.674 948 V HN 0.527 nan 8.190 nan 0.000 0.470 949 D N 0.939 121.418 120.400 0.131 0.000 2.158 949 D HA -0.023 4.618 4.640 0.002 0.000 0.197 949 D C 1.849 178.129 176.300 -0.033 0.000 0.995 949 D CA 1.756 55.811 54.000 0.092 0.000 0.846 949 D CB -0.385 40.484 40.800 0.115 0.000 0.941 949 D HN 0.573 nan 8.370 nan 0.000 0.456 950 G N -0.098 108.582 108.800 -0.200 0.000 2.176 950 G HA2 -0.287 3.674 3.960 0.002 0.000 0.232 950 G HA3 -0.287 3.674 3.960 0.002 0.000 0.232 950 G C 0.026 174.682 174.900 -0.406 0.000 0.986 950 G CA 0.035 44.613 45.100 -0.870 0.000 0.643 950 G HN 0.352 nan 8.290 nan 0.000 0.522 951 E N 0.619 120.756 120.200 -0.105 0.000 2.257 951 E HA 0.729 5.080 4.350 0.002 0.000 0.278 951 E C 1.208 177.809 176.600 0.002 0.000 1.049 951 E CA 0.780 57.133 56.400 -0.077 0.000 0.876 951 E CB 0.871 30.519 29.700 -0.087 0.000 1.035 951 E HN 0.543 nan 8.360 nan 0.000 0.419 952 A N 4.892 127.645 122.820 -0.112 0.000 1.924 952 A HA 0.053 4.375 4.320 0.002 0.000 0.211 952 A C 0.339 177.878 177.584 -0.076 0.000 1.198 952 A CA 0.039 52.048 52.037 -0.046 0.000 0.657 952 A CB -0.063 18.906 19.000 -0.052 0.000 0.852 952 A HN 0.629 nan 8.150 nan 0.000 0.454 953 N N -0.040 118.488 118.700 -0.285 0.000 2.431 953 N HA 0.269 5.010 4.740 0.002 0.000 0.265 953 N C -1.576 173.562 175.510 -0.620 0.000 1.184 953 N CA 0.514 53.370 53.050 -0.323 0.000 0.943 953 N CB 0.164 38.468 38.487 -0.305 0.000 1.080 953 N HN 0.510 nan 8.380 nan 0.000 0.477 954 W N 1.947 123.127 121.300 -0.201 0.000 3.211 954 W HA 0.264 4.926 4.660 0.002 0.000 0.335 954 W C -2.162 174.311 176.519 -0.078 0.000 1.113 954 W CA -1.766 55.459 57.345 -0.200 0.000 1.235 954 W CB 1.688 30.915 29.460 -0.389 0.000 1.365 954 W HN 0.319 nan 8.180 nan 0.000 0.476 955 P HA 0.007 nan 4.420 nan 0.000 0.256 955 P C -0.701 176.727 177.300 0.214 0.000 1.189 955 P CA 0.980 64.204 63.100 0.206 0.000 0.808 955 P CB 0.498 32.352 31.700 0.256 0.000 0.793 956 L N 6.161 127.497 121.223 0.188 0.000 2.422 956 L HA 0.478 4.819 4.340 0.002 0.000 0.264 956 L C -2.334 174.641 176.870 0.175 0.000 0.984 956 L CA -2.910 52.058 54.840 0.212 0.000 0.819 956 L CB 2.804 45.035 42.059 0.288 0.000 1.330 956 L HN 0.048 nan 8.230 nan 0.000 0.410 957 P HA 0.044 nan 4.420 nan 0.000 0.269 957 P C -0.838 176.506 177.300 0.072 0.000 1.217 957 P CA 0.003 63.066 63.100 -0.062 0.000 0.783 957 P CB 0.378 31.817 31.700 -0.435 0.000 0.898 958 V N -0.352 119.594 119.914 0.053 0.000 3.973 958 V HA -0.225 3.896 4.120 0.002 0.000 0.478 958 V C 0.558 176.770 176.094 0.198 0.000 0.682 958 V CA 0.212 62.597 62.300 0.142 0.000 1.931 958 V CB -1.503 30.451 31.823 0.219 0.000 2.329 958 V HN 0.824 nan 8.190 nan 0.000 0.500 959 N N 4.186 122.961 118.700 0.125 0.000 2.452 959 N HA 0.264 5.006 4.740 0.002 0.000 0.266 959 N C 0.759 176.319 175.510 0.083 0.000 1.175 959 N CA 0.223 53.331 53.050 0.097 0.000 0.945 959 N CB 0.994 39.512 38.487 0.052 0.000 1.063 959 N HN 0.666 nan 8.380 nan 0.000 0.472 960 I N 3.327 123.944 120.570 0.078 0.000 2.556 960 I HA -0.036 4.136 4.170 0.002 0.000 0.251 960 I C 2.354 178.465 176.117 -0.009 0.000 1.105 960 I CA 0.078 61.398 61.300 0.033 0.000 1.436 960 I CB -0.212 37.804 38.000 0.027 0.000 1.139 960 I HN 0.547 nan 8.210 nan 0.000 0.438 961 R N 1.227 121.731 120.500 0.006 0.000 2.208 961 R HA -0.268 4.074 4.340 0.002 0.000 0.262 961 R C 2.313 178.597 176.300 -0.027 0.000 1.166 961 R CA 1.939 58.035 56.100 -0.006 0.000 0.987 961 R CB -0.170 30.145 30.300 0.023 0.000 0.887 961 R HN 0.277 nan 8.270 nan 0.000 0.459 962 R N -0.347 120.152 120.500 -0.002 0.000 2.057 962 R HA 0.051 4.393 4.340 0.002 0.000 0.224 962 R C 2.424 178.734 176.300 0.016 0.000 1.136 962 R CA 1.467 57.575 56.100 0.014 0.000 0.968 962 R CB -0.242 30.088 30.300 0.050 0.000 0.863 962 R HN 0.261 nan 8.270 nan 0.000 0.433 963 I N 1.156 121.731 120.570 0.008 0.000 2.300 963 I HA -0.326 3.846 4.170 0.002 0.000 0.252 963 I C 2.012 178.148 176.117 0.031 0.000 1.119 963 I CA 1.003 62.307 61.300 0.006 0.000 1.384 963 I CB -0.251 37.700 38.000 -0.082 0.000 1.062 963 I HN 0.171 nan 8.210 nan 0.000 0.426 964 I N 0.634 121.155 120.570 -0.081 0.000 2.142 964 I HA -0.298 3.874 4.170 0.002 0.000 0.240 964 I C 2.617 178.670 176.117 -0.107 0.000 1.078 964 I CA 1.695 62.881 61.300 -0.190 0.000 1.343 964 I CB -1.313 36.394 38.000 -0.489 0.000 1.046 964 I HN 0.359 nan 8.210 nan 0.000 0.405 965 Q N 0.089 119.815 119.800 -0.123 0.000 2.135 965 Q HA -0.172 4.169 4.340 0.002 0.000 0.204 965 Q C 1.601 177.497 176.000 -0.173 0.000 0.981 965 Q CA 1.137 56.813 55.803 -0.211 0.000 0.856 965 Q CB -0.271 28.243 28.738 -0.375 0.000 0.902 965 Q HN 0.513 nan 8.270 nan 0.000 0.425 966 N N -0.532 118.175 118.700 0.011 0.000 2.575 966 N HA 0.012 4.754 4.740 0.002 0.000 0.192 966 N C 0.602 176.285 175.510 0.288 0.000 1.200 966 N CA 0.585 53.749 53.050 0.191 0.000 0.897 966 N CB 0.455 39.134 38.487 0.320 0.000 0.990 966 N HN 0.221 nan 8.380 nan 0.000 0.449 967 A N 0.424 123.392 122.820 0.247 0.000 2.026 967 A HA -0.027 4.294 4.320 0.002 0.000 0.201 967 A C 1.865 179.542 177.584 0.156 0.000 1.318 967 A CA -0.054 52.158 52.037 0.292 0.000 0.857 967 A CB -0.055 19.179 19.000 0.389 0.000 0.939 967 A HN 0.326 nan 8.150 nan 0.000 0.476 968 Q N 0.141 119.972 119.800 0.051 0.000 2.472 968 Q HA -0.107 4.234 4.340 0.002 0.000 0.208 968 Q C 1.588 177.545 176.000 -0.073 0.000 0.958 968 Q CA 1.413 57.222 55.803 0.009 0.000 0.932 968 Q CB -0.221 28.537 28.738 0.034 0.000 1.007 968 Q HN 0.754 nan 8.270 nan 0.000 0.508 969 Q N -0.078 119.645 119.800 -0.127 0.000 2.402 969 Q HA 0.136 4.477 4.340 0.002 0.000 0.231 969 Q C 1.442 177.200 176.000 -0.404 0.000 0.888 969 Q CA 0.976 56.603 55.803 -0.295 0.000 0.938 969 Q CB -0.147 28.519 28.738 -0.120 0.000 1.086 969 Q HN 0.105 nan 8.270 nan 0.000 0.543 970 T N 0.043 114.439 114.554 -0.264 0.000 2.867 970 T HA 0.036 4.387 4.350 0.002 0.000 0.268 970 T C 0.308 174.645 174.700 -0.604 0.000 1.057 970 T CA 1.187 63.012 62.100 -0.458 0.000 1.136 970 T CB -0.160 68.303 68.868 -0.674 0.000 0.874 970 T HN 0.318 nan 8.240 nan 0.000 0.466 971 F N -0.467 119.325 119.950 -0.263 0.000 2.678 971 F HA 0.311 4.840 4.527 0.003 0.000 0.305 971 F C 0.487 176.266 175.800 -0.034 0.000 1.090 971 F CA -0.602 57.302 58.000 -0.160 0.000 1.272 971 F CB 0.036 38.933 39.000 -0.172 0.000 1.060 971 F HN 0.093 nan 8.300 nan 0.000 0.576 972 H N 1.251 120.351 119.070 0.050 0.000 2.791 972 H HA -0.177 4.381 4.556 0.002 0.000 0.306 972 H C -0.587 174.748 175.328 0.011 0.000 0.917 972 H CA 0.195 56.254 56.048 0.019 0.000 0.986 972 H CB -0.810 28.950 29.762 -0.003 0.000 1.601 972 H HN 0.189 nan 8.280 nan 0.000 0.332 973 I N 4.644 125.257 120.570 0.070 0.000 2.418 973 I HA 0.169 4.341 4.170 0.002 0.000 0.287 973 I C 0.046 176.077 176.117 -0.142 0.000 1.008 973 I CA -0.822 60.464 61.300 -0.023 0.000 1.104 973 I CB 0.938 38.909 38.000 -0.048 0.000 1.264 973 I HN 0.368 nan 8.210 nan 0.000 0.438 974 D N 6.049 126.395 120.400 -0.089 0.000 2.399 974 D HA -0.008 4.634 4.640 0.002 0.000 0.241 974 D C 0.008 176.200 176.300 -0.180 0.000 1.133 974 D CA 0.151 54.098 54.000 -0.088 0.000 0.890 974 D CB 0.731 41.529 40.800 -0.005 0.000 1.201 974 D HN 0.577 nan 8.370 nan 0.000 0.432 975 H N 0.441 119.538 119.070 0.045 0.000 2.567 975 H HA 0.086 4.643 4.556 0.002 0.000 0.294 975 H C 0.703 176.044 175.328 0.022 0.000 1.050 975 H CA 0.399 56.468 56.048 0.035 0.000 1.168 975 H CB 0.092 29.876 29.762 0.038 0.000 1.422 975 H HN 0.617 nan 8.280 nan 0.000 0.562 976 T N -2.972 111.632 114.554 0.083 0.000 3.058 976 T HA 0.274 4.625 4.350 0.002 0.000 0.278 976 T C 0.467 175.183 174.700 0.026 0.000 0.974 976 T CA -0.400 61.731 62.100 0.053 0.000 0.893 976 T CB 0.937 69.833 68.868 0.047 0.000 1.138 976 T HN -0.000 nan 8.240 nan 0.000 0.529 977 K N 2.371 122.779 120.400 0.015 0.000 2.468 977 K HA 0.568 4.890 4.320 0.002 0.000 0.252 977 K C -2.807 173.791 176.600 -0.003 0.000 0.932 977 K CA -2.137 54.153 56.287 0.004 0.000 0.794 977 K CB 2.421 34.922 32.500 0.001 0.000 1.241 977 K HN 0.024 nan 8.250 nan 0.000 0.428 978 P HA -0.004 nan 4.420 nan 0.000 0.272 978 P C -0.229 177.062 177.300 -0.015 0.000 1.254 978 P CA -0.317 62.777 63.100 -0.010 0.000 0.795 978 P CB 0.881 32.574 31.700 -0.012 0.000 1.022 979 S N -0.600 115.087 115.700 -0.021 0.000 2.607 979 S HA 0.242 4.713 4.470 0.002 0.000 0.272 979 S C 0.144 174.728 174.600 -0.027 0.000 1.166 979 S CA -0.252 57.932 58.200 -0.027 0.000 1.021 979 S CB -0.005 63.172 63.200 -0.038 0.000 1.113 979 S HN 0.650 nan 8.310 nan 0.000 0.531 980 D N 0.686 121.066 120.400 -0.033 0.000 2.914 980 D HA 0.183 4.825 4.640 0.002 0.000 0.349 980 D C -0.737 175.539 176.300 -0.040 0.000 1.540 980 D CA -0.152 53.830 54.000 -0.029 0.000 0.778 980 D CB -0.750 40.039 40.800 -0.017 0.000 1.213 980 D HN 0.296 nan 8.370 nan 0.000 0.451 981 L N 1.134 122.318 121.223 -0.065 0.000 2.295 981 L HA 0.384 4.726 4.340 0.002 0.000 0.285 981 L C 0.556 177.371 176.870 -0.092 0.000 1.035 981 L CA -0.465 54.315 54.840 -0.099 0.000 0.806 981 L CB 1.806 43.755 42.059 -0.184 0.000 1.214 981 L HN -0.155 nan 8.230 nan 0.000 0.426 982 T N 1.972 116.478 114.554 -0.079 0.000 2.860 982 T HA 0.151 4.502 4.350 0.002 0.000 0.299 982 T C 1.647 176.293 174.700 -0.091 0.000 1.045 982 T CA -0.662 61.398 62.100 -0.066 0.000 1.071 982 T CB 1.320 70.162 68.868 -0.043 0.000 0.985 982 T HN 0.313 nan 8.240 nan 0.000 0.537 983 I N 1.021 121.548 120.570 -0.071 0.000 2.286 983 I HA -0.114 4.058 4.170 0.002 0.000 0.248 983 I C 2.330 178.407 176.117 -0.065 0.000 1.115 983 I CA 1.506 62.763 61.300 -0.073 0.000 1.392 983 I CB -0.989 36.982 38.000 -0.049 0.000 1.065 983 I HN 0.712 nan 8.210 nan 0.000 0.418 984 K N 0.553 120.926 120.400 -0.046 0.000 2.152 984 K HA -0.209 4.112 4.320 0.002 0.000 0.206 984 K C 1.608 178.189 176.600 -0.032 0.000 1.048 984 K CA 1.576 57.845 56.287 -0.029 0.000 0.933 984 K CB -0.084 32.406 32.500 -0.016 0.000 0.721 984 K HN 0.308 nan 8.250 nan 0.000 0.447 985 D N 0.708 121.072 120.400 -0.060 0.000 2.117 985 D HA -0.102 4.539 4.640 0.002 0.000 0.198 985 D C 1.809 178.033 176.300 -0.127 0.000 0.982 985 D CA 0.910 54.873 54.000 -0.062 0.000 0.828 985 D CB -0.087 40.660 40.800 -0.089 0.000 0.967 985 D HN 0.116 nan 8.370 nan 0.000 0.464 986 I N 0.147 120.553 120.570 -0.273 0.000 2.060 986 I HA -0.238 3.933 4.170 0.002 0.000 0.233 986 I C 2.330 178.410 176.117 -0.061 0.000 1.054 986 I CA 0.773 61.851 61.300 -0.369 0.000 1.318 986 I CB -0.257 37.522 38.000 -0.368 0.000 1.054 986 I HN -0.111 nan 8.210 nan 0.000 0.395 987 V N 0.649 120.537 119.914 -0.043 0.000 2.407 987 V HA -0.269 3.853 4.120 0.002 0.000 0.248 987 V C 2.191 178.305 176.094 0.032 0.000 1.055 987 V CA 1.709 64.013 62.300 0.007 0.000 1.049 987 V CB -0.491 31.333 31.823 0.001 0.000 0.662 987 V HN 0.405 nan 8.190 nan 0.000 0.455 988 L N -0.044 121.196 121.223 0.028 0.000 2.554 988 L HA 0.200 4.542 4.340 0.002 0.000 0.226 988 L C 2.036 178.945 176.870 0.065 0.000 1.137 988 L CA 0.930 55.792 54.840 0.036 0.000 0.863 988 L CB -0.279 41.794 42.059 0.023 0.000 0.985 988 L HN 0.310 nan 8.230 nan 0.000 0.451 989 G N -0.966 107.907 108.800 0.120 0.000 2.456 989 G HA2 -0.132 3.829 3.960 0.002 0.000 0.213 989 G HA3 -0.132 3.829 3.960 0.002 0.000 0.213 989 G C 1.381 176.358 174.900 0.129 0.000 1.215 989 G CA 0.734 45.943 45.100 0.183 0.000 0.805 989 G HN 0.155 nan 8.290 nan 0.000 0.537 990 V N 1.413 121.432 119.914 0.175 0.000 2.277 990 V HA -0.311 3.811 4.120 0.002 0.000 0.253 990 V C 2.642 178.755 176.094 0.031 0.000 1.067 990 V CA 2.550 64.906 62.300 0.093 0.000 1.047 990 V CB -0.633 31.252 31.823 0.103 0.000 0.649 990 V HN 0.429 nan 8.190 nan 0.000 0.447 991 K N -0.714 119.705 120.400 0.032 0.000 2.209 991 K HA -0.225 4.097 4.320 0.002 0.000 0.204 991 K C 1.890 178.489 176.600 -0.002 0.000 1.048 991 K CA 1.585 57.877 56.287 0.007 0.000 0.940 991 K CB -0.155 32.351 32.500 0.010 0.000 0.729 991 K HN 0.504 nan 8.250 nan 0.000 0.451 992 D N 0.014 120.419 120.400 0.008 0.000 2.327 992 D HA -0.067 4.575 4.640 0.002 0.000 0.205 992 D C 1.781 178.070 176.300 -0.019 0.000 0.989 992 D CA 0.171 54.170 54.000 -0.001 0.000 0.873 992 D CB 0.369 41.176 40.800 0.012 0.000 0.955 992 D HN 0.153 nan 8.370 nan 0.000 0.515 993 L N 1.311 122.519 121.223 -0.025 0.000 2.005 993 L HA -0.103 4.239 4.340 0.002 0.000 0.207 993 L C 2.330 179.156 176.870 -0.074 0.000 1.072 993 L CA 1.830 56.637 54.840 -0.055 0.000 0.744 993 L CB -0.896 41.123 42.059 -0.067 0.000 0.895 993 L HN -0.105 nan 8.230 nan 0.000 0.433 994 Q N -0.579 119.181 119.800 -0.067 0.000 2.197 994 Q HA -0.300 4.042 4.340 0.002 0.000 0.211 994 Q C 2.101 178.056 176.000 -0.075 0.000 0.993 994 Q CA 2.139 57.895 55.803 -0.078 0.000 0.883 994 Q CB -0.134 28.570 28.738 -0.057 0.000 0.916 994 Q HN 0.531 nan 8.270 nan 0.000 0.418 995 E N 0.269 120.437 120.200 -0.053 0.000 2.204 995 E HA -0.142 4.210 4.350 0.002 0.000 0.195 995 E C 0.381 176.954 176.600 -0.045 0.000 0.990 995 E CA 1.265 57.641 56.400 -0.041 0.000 0.821 995 E CB -0.123 29.561 29.700 -0.026 0.000 0.750 995 E HN 0.704 nan 8.360 nan 0.000 0.477 996 N N -0.391 118.272 118.700 -0.061 0.000 2.451 996 N HA 0.101 4.843 4.740 0.002 0.000 0.271 996 N C -0.313 175.142 175.510 -0.092 0.000 1.410 996 N CA -0.095 52.921 53.050 -0.056 0.000 0.884 996 N CB 0.278 38.744 38.487 -0.035 0.000 1.332 996 N HN -0.067 nan 8.380 nan 0.000 0.498 997 L N 1.849 122.965 121.223 -0.178 0.000 2.399 997 L HA 0.293 4.635 4.340 0.002 0.000 0.257 997 L C 0.153 176.935 176.870 -0.147 0.000 1.236 997 L CA -0.282 54.339 54.840 -0.364 0.000 1.144 997 L CB 0.086 41.644 42.059 -0.834 0.000 1.379 997 L HN 0.194 nan 8.230 nan 0.000 0.414 998 L N 1.629 122.859 121.223 0.012 0.000 2.426 998 L HA 0.126 4.468 4.340 0.002 0.000 0.271 998 L C 0.937 177.907 176.870 0.167 0.000 1.169 998 L CA 0.494 55.377 54.840 0.070 0.000 0.836 998 L CB 1.826 43.913 42.059 0.048 0.000 1.112 998 L HN 0.313 nan 8.230 nan 0.000 0.465 999 V N 3.377 123.365 119.914 0.124 0.000 3.279 999 V HA 0.203 4.325 4.120 0.002 0.000 0.213 999 V C 0.292 176.425 176.094 0.065 0.000 1.335 999 V CA 0.023 62.386 62.300 0.106 0.000 1.317 999 V CB 1.011 32.911 31.823 0.128 0.000 1.209 999 V HN 0.456 nan 8.190 nan 0.000 0.525 1000 L N 0.689 121.950 121.223 0.063 0.000 2.317 1000 L HA 0.520 4.861 4.340 0.002 0.000 0.281 1000 L C 0.779 177.675 176.870 0.044 0.000 1.024 1000 L CA 0.030 54.902 54.840 0.054 0.000 0.810 1000 L CB 1.778 43.869 42.059 0.053 0.000 1.240 1000 L HN 0.076 nan 8.230 nan 0.000 0.427 1001 R N 1.389 121.914 120.500 0.042 0.000 2.472 1001 R HA 0.225 4.567 4.340 0.002 0.000 0.279 1001 R C 0.562 176.878 176.300 0.027 0.000 0.953 1001 R CA -0.217 55.903 56.100 0.033 0.000 1.088 1001 R CB 0.726 31.046 30.300 0.034 0.000 1.197 1001 R HN 0.808 nan 8.270 nan 0.000 0.536 1002 G N 0.446 109.263 108.800 0.029 0.000 2.614 1002 G HA2 -0.025 3.936 3.960 0.002 0.000 0.239 1002 G HA3 -0.025 3.936 3.960 0.002 0.000 0.239 1002 G C -0.127 174.782 174.900 0.015 0.000 1.240 1002 G CA -0.288 44.826 45.100 0.023 0.000 0.842 1002 G HN 0.185 nan 8.290 nan 0.000 0.584 1003 K N 0.450 120.857 120.400 0.012 0.000 2.699 1003 K HA 0.100 4.421 4.320 0.002 0.000 0.210 1003 K C 0.108 176.711 176.600 0.005 0.000 1.076 1003 K CA -0.249 56.043 56.287 0.007 0.000 1.109 1003 K CB 0.044 32.548 32.500 0.007 0.000 0.862 1003 K HN 0.698 nan 8.250 nan 0.000 0.470 1004 N N -1.684 117.019 118.700 0.005 0.000 2.531 1004 N HA 0.070 4.812 4.740 0.002 0.000 0.290 1004 N C 0.677 176.186 175.510 -0.003 0.000 1.257 1004 N CA -0.685 52.366 53.050 0.001 0.000 0.863 1004 N CB 0.839 39.328 38.487 0.003 0.000 1.320 1004 N HN -0.232 nan 8.380 nan 0.000 0.538 1005 E N 0.172 120.369 120.200 -0.006 0.000 2.021 1005 E HA -0.139 4.212 4.350 0.002 0.000 0.200 1005 E C 1.372 177.963 176.600 -0.016 0.000 1.015 1005 E CA 2.109 58.502 56.400 -0.011 0.000 0.824 1005 E CB -0.349 29.343 29.700 -0.012 0.000 0.762 1005 E HN 0.649 nan 8.360 nan 0.000 0.454 1006 I N 0.589 121.147 120.570 -0.020 0.000 2.091 1006 I HA -0.307 3.864 4.170 0.002 0.000 0.239 1006 I C 2.300 178.401 176.117 -0.027 0.000 1.061 1006 I CA 0.980 62.261 61.300 -0.032 0.000 1.317 1006 I CB -0.596 37.380 38.000 -0.039 0.000 1.031 1006 I HN 0.223 nan 8.210 nan 0.000 0.401 1007 I N 0.781 121.343 120.570 -0.013 0.000 2.145 1007 I HA -0.324 3.847 4.170 0.002 0.000 0.244 1007 I C 2.714 178.830 176.117 -0.002 0.000 1.075 1007 I CA 1.830 63.129 61.300 -0.001 0.000 1.332 1007 I CB -1.217 36.790 38.000 0.011 0.000 1.033 1007 I HN 0.459 nan 8.210 nan 0.000 0.410 1008 Q N 0.129 119.926 119.800 -0.005 0.000 2.224 1008 Q HA -0.124 4.217 4.340 0.002 0.000 0.203 1008 Q C 1.862 177.855 176.000 -0.012 0.000 0.970 1008 Q CA 0.912 56.712 55.803 -0.006 0.000 0.865 1008 Q CB -0.430 28.303 28.738 -0.007 0.000 0.922 1008 Q HN 0.647 nan 8.270 nan 0.000 0.445 1009 N N 0.269 118.958 118.700 -0.019 0.000 2.354 1009 N HA -0.037 4.705 4.740 0.002 0.000 0.179 1009 N C 1.658 177.153 175.510 -0.025 0.000 1.021 1009 N CA 0.838 53.872 53.050 -0.026 0.000 0.887 1009 N CB 0.182 38.649 38.487 -0.033 0.000 0.974 1009 N HN 0.168 nan 8.380 nan 0.000 0.437 1010 A N 1.402 124.208 122.820 -0.023 0.000 1.873 1010 A HA -0.192 4.130 4.320 0.002 0.000 0.215 1010 A C 2.226 179.815 177.584 0.008 0.000 1.186 1010 A CA 1.350 53.379 52.037 -0.015 0.000 0.616 1010 A CB -0.645 18.347 19.000 -0.013 0.000 0.823 1010 A HN 0.189 nan 8.150 nan 0.000 0.442 1011 Q N 0.359 120.166 119.800 0.012 0.000 2.045 1011 Q HA -0.235 4.107 4.340 0.002 0.000 0.206 1011 Q C 2.121 178.130 176.000 0.016 0.000 0.991 1011 Q CA 2.551 58.368 55.803 0.022 0.000 0.851 1011 Q CB -0.492 28.256 28.738 0.017 0.000 0.911 1011 Q HN 0.616 nan 8.270 nan 0.000 0.418 1012 R N -0.361 120.137 120.500 -0.003 0.000 2.083 1012 R HA -0.149 4.192 4.340 0.002 0.000 0.237 1012 R C 1.714 178.006 176.300 -0.014 0.000 1.137 1012 R CA 1.842 57.932 56.100 -0.016 0.000 0.951 1012 R CB -0.263 30.019 30.300 -0.030 0.000 0.851 1012 R HN 0.392 nan 8.270 nan 0.000 0.434 1013 D N -0.250 120.144 120.400 -0.009 0.000 2.178 1013 D HA -0.094 4.547 4.640 0.002 0.000 0.202 1013 D C 1.499 177.813 176.300 0.024 0.000 0.974 1013 D CA 1.335 55.333 54.000 -0.004 0.000 0.841 1013 D CB -0.070 40.727 40.800 -0.005 0.000 0.953 1013 D HN 0.369 nan 8.370 nan 0.000 0.478 1014 A N 0.133 122.978 122.820 0.041 0.000 2.119 1014 A HA -0.013 4.308 4.320 0.002 0.000 0.217 1014 A C 2.203 179.854 177.584 0.113 0.000 1.153 1014 A CA 0.697 52.776 52.037 0.070 0.000 0.692 1014 A CB 0.082 19.128 19.000 0.076 0.000 0.799 1014 A HN 0.157 nan 8.150 nan 0.000 0.458 1015 V N -1.812 118.166 119.914 0.105 0.000 3.379 1015 V HA -0.083 4.039 4.120 0.002 0.000 0.249 1015 V C 2.289 178.465 176.094 0.137 0.000 1.184 1015 V CA 1.375 63.775 62.300 0.166 0.000 1.106 1015 V CB -0.821 31.064 31.823 0.103 0.000 0.826 1015 V HN 0.487 nan 8.190 nan 0.000 0.465 1016 T N 1.424 116.001 114.554 0.037 0.000 2.578 1016 T HA -0.415 3.937 4.350 0.002 0.000 0.252 1016 T C 1.802 176.494 174.700 -0.013 0.000 1.192 1016 T CA 2.750 64.818 62.100 -0.053 0.000 1.143 1016 T CB -0.580 68.220 68.868 -0.113 0.000 0.848 1016 T HN 0.334 nan 8.240 nan 0.000 0.450 1017 L N -0.624 120.648 121.223 0.082 0.000 2.046 1017 L HA -0.051 4.291 4.340 0.002 0.000 0.208 1017 L C 2.312 179.284 176.870 0.170 0.000 1.077 1017 L CA 1.491 56.418 54.840 0.145 0.000 0.747 1017 L CB -0.349 41.820 42.059 0.184 0.000 0.896 1017 L HN 0.244 nan 8.230 nan 0.000 0.432 1018 F N 0.162 120.163 119.950 0.085 0.000 2.095 1018 F HA -0.300 4.228 4.527 0.003 0.000 0.298 1018 F C 2.493 178.324 175.800 0.051 0.000 1.104 1018 F CA 1.773 59.838 58.000 0.107 0.000 1.232 1018 F CB -0.706 38.416 39.000 0.204 0.000 0.987 1018 F HN 0.157 nan 8.300 nan 0.000 0.475 1019 C N -0.479 118.785 119.300 -0.059 0.000 2.425 1019 C HA -0.181 4.281 4.460 0.002 0.000 0.277 1019 C C 3.023 177.918 174.990 -0.159 0.000 1.280 1019 C CA 0.868 59.781 59.018 -0.174 0.000 1.744 1019 C CB -1.969 25.719 27.740 -0.087 0.000 1.989 1019 C HN 0.685 nan 8.230 nan 0.000 0.491 1020 C N 0.435 119.678 119.300 -0.095 0.000 2.413 1020 C HA -0.135 4.327 4.460 0.002 0.000 0.277 1020 C C 2.555 177.515 174.990 -0.049 0.000 1.265 1020 C CA 1.091 60.078 59.018 -0.052 0.000 1.752 1020 C CB -1.613 26.135 27.740 0.014 0.000 1.998 1020 C HN 0.674 nan 8.230 nan 0.000 0.489 1021 L N 0.463 121.624 121.223 -0.103 0.000 1.988 1021 L HA -0.036 4.306 4.340 0.002 0.000 0.207 1021 L C 2.366 179.128 176.870 -0.181 0.000 1.071 1021 L CA 1.600 56.368 54.840 -0.121 0.000 0.744 1021 L CB -0.902 41.068 42.059 -0.148 0.000 0.893 1021 L HN 0.221 nan 8.230 nan 0.000 0.433 1022 L N -0.044 120.954 121.223 -0.376 0.000 1.997 1022 L HA -0.300 4.041 4.340 0.002 0.000 0.216 1022 L C 2.778 179.577 176.870 -0.118 0.000 1.074 1022 L CA 2.088 56.734 54.840 -0.324 0.000 0.763 1022 L CB -0.463 41.355 42.059 -0.401 0.000 0.890 1022 L HN 0.272 nan 8.230 nan 0.000 0.434 1023 R N -1.122 119.328 120.500 -0.083 0.000 2.120 1023 R HA -0.121 4.221 4.340 0.002 0.000 0.234 1023 R C 2.425 178.768 176.300 0.073 0.000 1.123 1023 R CA 1.395 57.493 56.100 -0.002 0.000 0.975 1023 R CB -0.555 29.740 30.300 -0.008 0.000 0.866 1023 R HN 0.636 nan 8.270 nan 0.000 0.446 1024 S N 0.193 115.945 115.700 0.087 0.000 2.428 1024 S HA -0.043 4.428 4.470 0.002 0.000 0.230 1024 S C 1.909 176.614 174.600 0.176 0.000 1.014 1024 S CA 0.665 59.007 58.200 0.238 0.000 0.957 1024 S CB 0.126 63.438 63.200 0.188 0.000 0.784 1024 S HN 0.134 nan 8.310 nan 0.000 0.499 1025 R N 0.381 120.935 120.500 0.090 0.000 2.175 1025 R HA 0.460 4.802 4.340 0.002 0.000 0.202 1025 R C 0.777 177.166 176.300 0.149 0.000 1.018 1025 R CA 0.454 56.622 56.100 0.113 0.000 1.029 1025 R CB -0.123 30.247 30.300 0.116 0.000 0.959 1025 R HN 0.373 nan 8.270 nan 0.000 0.480 1026 L N 1.156 122.444 121.223 0.108 0.000 3.035 1026 L HA 0.430 4.772 4.340 0.002 0.000 0.232 1026 L C -0.165 176.764 176.870 0.098 0.000 1.341 1026 L CA -0.706 54.227 54.840 0.155 0.000 1.177 1026 L CB 0.238 42.389 42.059 0.154 0.000 1.555 1026 L HN 0.037 nan 8.230 nan 0.000 0.473 1027 A N -0.521 122.312 122.820 0.022 0.000 2.310 1027 A HA 0.458 4.779 4.320 0.002 0.000 0.299 1027 A C 1.351 178.892 177.584 -0.071 0.000 1.147 1027 A CA -0.341 51.681 52.037 -0.025 0.000 0.818 1027 A CB 0.673 19.603 19.000 -0.117 0.000 1.096 1027 A HN 0.413 nan 8.150 nan 0.000 0.495 1028 T N 1.200 115.729 114.554 -0.042 0.000 2.624 1028 T HA -0.245 4.106 4.350 0.002 0.000 0.268 1028 T C 1.994 176.631 174.700 -0.105 0.000 1.041 1028 T CA 2.028 64.088 62.100 -0.067 0.000 1.159 1028 T CB -0.251 68.595 68.868 -0.037 0.000 0.863 1028 T HN 0.704 nan 8.240 nan 0.000 0.434 1029 R N 0.640 121.068 120.500 -0.119 0.000 2.075 1029 R HA -0.006 4.335 4.340 0.002 0.000 0.232 1029 R C 2.688 178.847 176.300 -0.236 0.000 1.126 1029 R CA 1.233 57.242 56.100 -0.151 0.000 0.963 1029 R CB -0.136 30.083 30.300 -0.134 0.000 0.858 1029 R HN 0.271 nan 8.270 nan 0.000 0.435 1030 R N 0.066 120.366 120.500 -0.335 0.000 2.103 1030 R HA -0.166 4.176 4.340 0.002 0.000 0.234 1030 R C 2.128 178.129 176.300 -0.499 0.000 1.132 1030 R CA 2.356 58.169 56.100 -0.479 0.000 0.925 1030 R CB -0.710 29.288 30.300 -0.504 0.000 0.842 1030 R HN 0.102 nan 8.270 nan 0.000 0.430 1031 V N 0.884 120.663 119.914 -0.224 0.000 2.311 1031 V HA -0.339 3.782 4.120 0.002 0.000 0.256 1031 V C 2.214 178.274 176.094 -0.056 0.000 1.077 1031 V CA 2.297 64.602 62.300 0.007 0.000 1.067 1031 V CB -0.473 31.381 31.823 0.052 0.000 0.659 1031 V HN 0.379 nan 8.190 nan 0.000 0.451 1032 L N -1.674 119.476 121.223 -0.122 0.000 2.316 1032 L HA 0.018 4.360 4.340 0.002 0.000 0.207 1032 L C 2.410 179.230 176.870 -0.083 0.000 1.070 1032 L CA 1.082 55.874 54.840 -0.080 0.000 0.820 1032 L CB -0.349 41.662 42.059 -0.080 0.000 0.992 1032 L HN 0.267 nan 8.230 nan 0.000 0.466 1033 Q N 0.034 119.750 119.800 -0.140 0.000 2.302 1033 Q HA -0.093 4.249 4.340 0.002 0.000 0.202 1033 Q C 1.866 177.786 176.000 -0.134 0.000 0.936 1033 Q CA 0.860 56.594 55.803 -0.116 0.000 0.886 1033 Q CB 0.517 29.181 28.738 -0.123 0.000 0.986 1033 Q HN 0.408 nan 8.270 nan 0.000 0.487 1034 E N -0.831 119.210 120.200 -0.264 0.000 2.079 1034 E HA -0.035 4.317 4.350 0.002 0.000 0.191 1034 E C -0.552 175.979 176.600 -0.115 0.000 0.961 1034 E CA 0.506 56.726 56.400 -0.300 0.000 0.823 1034 E CB 0.489 29.854 29.700 -0.559 0.000 0.789 1034 E HN 0.350 nan 8.360 nan 0.000 0.459 1035 Y N -0.920 119.415 120.300 0.059 0.000 2.662 1035 Y HA 0.469 5.021 4.550 0.003 0.000 0.358 1035 Y C -0.921 175.046 175.900 0.111 0.000 1.041 1035 Y CA -1.122 57.059 58.100 0.135 0.000 1.184 1035 Y CB -0.504 38.015 38.460 0.100 0.000 1.114 1035 Y HN -0.294 nan 8.280 nan 0.000 0.650 1036 R N 2.823 123.476 120.500 0.255 0.000 3.253 1036 R HA 0.034 4.375 4.340 0.002 0.000 0.319 1036 R C -0.010 176.337 176.300 0.077 0.000 1.047 1036 R CA 0.291 56.459 56.100 0.114 0.000 0.970 1036 R CB -0.229 30.107 30.300 0.060 0.000 1.000 1036 R HN 0.678 nan 8.270 nan 0.000 0.423 1037 L N 0.998 122.294 121.223 0.121 0.000 2.475 1037 L HA 0.204 4.546 4.340 0.002 0.000 0.250 1037 L C 1.189 178.073 176.870 0.023 0.000 1.224 1037 L CA 0.120 55.014 54.840 0.090 0.000 0.821 1037 L CB 0.764 42.933 42.059 0.184 0.000 1.141 1037 L HN 0.551 nan 8.230 nan 0.000 0.494 1038 T N -3.150 111.401 114.554 -0.004 0.000 2.907 1038 T HA 0.266 4.617 4.350 0.002 0.000 0.290 1038 T C 0.423 175.118 174.700 -0.009 0.000 1.066 1038 T CA -0.871 61.212 62.100 -0.029 0.000 1.012 1038 T CB 2.011 70.846 68.868 -0.055 0.000 1.184 1038 T HN 0.450 nan 8.240 nan 0.000 0.522 1039 K N 0.501 120.897 120.400 -0.007 0.000 2.074 1039 K HA -0.189 4.133 4.320 0.002 0.000 0.209 1039 K C 2.206 178.833 176.600 0.046 0.000 1.048 1039 K CA 2.172 58.479 56.287 0.033 0.000 0.926 1039 K CB -0.544 31.966 32.500 0.017 0.000 0.713 1039 K HN 0.739 nan 8.250 nan 0.000 0.444 1040 Q N -0.756 119.018 119.800 -0.044 0.000 1.994 1040 Q HA -0.057 4.285 4.340 0.002 0.000 0.198 1040 Q C 1.992 177.828 176.000 -0.274 0.000 0.976 1040 Q CA 1.574 57.314 55.803 -0.104 0.000 0.828 1040 Q CB -0.354 28.321 28.738 -0.106 0.000 0.894 1040 Q HN 0.400 nan 8.270 nan 0.000 0.432 1041 A N 0.314 122.786 122.820 -0.580 0.000 1.940 1041 A HA -0.218 4.104 4.320 0.002 0.000 0.219 1041 A C 1.877 179.393 177.584 -0.114 0.000 1.176 1041 A CA 1.499 53.079 52.037 -0.762 0.000 0.631 1041 A CB -1.014 17.587 19.000 -0.665 0.000 0.814 1041 A HN 0.639 nan 8.150 nan 0.000 0.446 1042 F N 0.994 120.873 119.950 -0.118 0.000 2.146 1042 F HA -0.130 4.398 4.527 0.003 0.000 0.298 1042 F C 1.540 177.347 175.800 0.013 0.000 1.096 1042 F CA 2.045 60.032 58.000 -0.021 0.000 1.275 1042 F CB -0.234 38.756 39.000 -0.017 0.000 1.008 1042 F HN 0.245 nan 8.300 nan 0.000 0.480 1043 D N -1.014 119.400 120.400 0.023 0.000 2.269 1043 D HA -0.163 4.479 4.640 0.002 0.000 0.208 1043 D C 1.592 177.878 176.300 -0.025 0.000 0.963 1043 D CA 1.055 55.034 54.000 -0.035 0.000 0.864 1043 D CB -0.429 40.422 40.800 0.085 0.000 0.936 1043 D HN 0.539 nan 8.370 nan 0.000 0.505 1044 W N 0.561 121.765 121.300 -0.160 0.000 2.408 1044 W HA -0.117 4.544 4.660 0.002 0.000 0.311 1044 W C 1.917 178.371 176.519 -0.108 0.000 1.190 1044 W CA 0.777 58.079 57.345 -0.071 0.000 1.321 1044 W CB -0.477 29.001 29.460 0.030 0.000 1.143 1044 W HN -0.255 nan 8.180 nan 0.000 0.501 1045 V N 1.365 121.222 119.914 -0.095 0.000 2.370 1045 V HA -0.347 3.775 4.120 0.002 0.000 0.252 1045 V C 2.285 178.145 176.094 -0.391 0.000 1.068 1045 V CA 1.987 64.104 62.300 -0.304 0.000 1.061 1045 V CB -1.048 30.671 31.823 -0.173 0.000 0.656 1045 V HN 0.187 nan 8.190 nan 0.000 0.455 1046 L N -0.412 120.549 121.223 -0.436 0.000 2.005 1046 L HA -0.122 4.220 4.340 0.002 0.000 0.207 1046 L C 2.722 179.444 176.870 -0.247 0.000 1.072 1046 L CA 2.256 56.888 54.840 -0.345 0.000 0.744 1046 L CB -1.014 40.819 42.059 -0.377 0.000 0.895 1046 L HN 0.333 nan 8.230 nan 0.000 0.433 1047 S N -0.671 114.893 115.700 -0.228 0.000 2.387 1047 S HA -0.256 4.215 4.470 0.002 0.000 0.230 1047 S C 2.057 176.514 174.600 -0.239 0.000 1.035 1047 S CA 1.743 59.839 58.200 -0.174 0.000 1.014 1047 S CB -0.378 62.760 63.200 -0.104 0.000 0.836 1047 S HN 0.494 nan 8.310 nan 0.000 0.466 1048 N N 0.813 119.260 118.700 -0.422 0.000 2.062 1048 N HA -0.019 4.722 4.740 0.002 0.000 0.191 1048 N C 1.902 177.270 175.510 -0.237 0.000 1.042 1048 N CA 1.634 54.410 53.050 -0.457 0.000 0.845 1048 N CB -0.454 37.525 38.487 -0.846 0.000 1.024 1048 N HN 0.454 nan 8.380 nan 0.000 0.424 1049 I N 1.694 122.145 120.570 -0.198 0.000 2.113 1049 I HA -0.291 3.880 4.170 0.002 0.000 0.242 1049 I C 2.527 178.654 176.117 0.016 0.000 1.064 1049 I CA 1.336 62.609 61.300 -0.044 0.000 1.320 1049 I CB -0.307 37.683 38.000 -0.017 0.000 1.028 1049 I HN 0.345 nan 8.210 nan 0.000 0.406 1050 E N 0.694 120.870 120.200 -0.039 0.000 2.130 1050 E HA -0.294 4.058 4.350 0.002 0.000 0.196 1050 E C 2.156 178.772 176.600 0.027 0.000 0.998 1050 E CA 1.565 57.955 56.400 -0.016 0.000 0.806 1050 E CB -0.003 29.666 29.700 -0.051 0.000 0.738 1050 E HN 0.559 nan 8.360 nan 0.000 0.459 1051 A N 0.637 123.448 122.820 -0.014 0.000 1.872 1051 A HA -0.163 4.158 4.320 0.002 0.000 0.214 1051 A C 2.060 179.651 177.584 0.011 0.000 1.187 1051 A CA 1.174 53.206 52.037 -0.007 0.000 0.614 1051 A CB -0.419 18.558 19.000 -0.037 0.000 0.826 1051 A HN 0.258 nan 8.150 nan 0.000 0.442 1052 Q N -1.867 117.937 119.800 0.008 0.000 2.170 1052 Q HA -0.147 4.195 4.340 0.002 0.000 0.203 1052 Q C 1.832 177.839 176.000 0.012 0.000 0.976 1052 Q CA 1.466 57.280 55.803 0.018 0.000 0.858 1052 Q CB -0.215 28.535 28.738 0.021 0.000 0.907 1052 Q HN 0.742 nan 8.270 nan 0.000 0.433 1053 F N 1.009 120.892 119.950 -0.111 0.000 2.022 1053 F HA -0.213 4.316 4.527 0.003 0.000 0.293 1053 F C 1.951 177.650 175.800 -0.169 0.000 1.142 1053 F CA 1.215 59.102 58.000 -0.190 0.000 1.177 1053 F CB -0.285 38.590 39.000 -0.209 0.000 0.982 1053 F HN -0.048 nan 8.300 nan 0.000 0.473 1054 L N 0.234 121.549 121.223 0.153 0.000 2.230 1054 L HA -0.327 4.014 4.340 0.002 0.000 0.217 1054 L C 2.508 179.306 176.870 -0.120 0.000 1.090 1054 L CA 1.447 56.305 54.840 0.031 0.000 0.771 1054 L CB -0.560 41.530 42.059 0.051 0.000 0.892 1054 L HN 0.221 nan 8.230 nan 0.000 0.438 1055 R N -1.304 119.109 120.500 -0.145 0.000 2.093 1055 R HA -0.030 4.312 4.340 0.002 0.000 0.224 1055 R C 2.298 178.312 176.300 -0.476 0.000 1.101 1055 R CA 1.215 57.194 56.100 -0.201 0.000 0.979 1055 R CB -0.205 30.049 30.300 -0.077 0.000 0.877 1055 R HN 0.237 nan 8.270 nan 0.000 0.441 1056 S N 0.823 116.209 115.700 -0.523 0.000 2.507 1056 S HA -0.004 4.467 4.470 0.002 0.000 0.235 1056 S C 0.855 175.111 174.600 -0.572 0.000 0.988 1056 S CA 0.234 58.041 58.200 -0.655 0.000 0.944 1056 S CB -0.069 62.845 63.200 -0.477 0.000 0.762 1056 S HN -0.001 nan 8.310 nan 0.000 0.526 1057 V N 3.029 122.629 119.914 -0.524 0.000 2.788 1057 V HA 0.011 4.132 4.120 0.002 0.000 0.307 1057 V C 0.613 176.448 176.094 -0.430 0.000 1.069 1057 V CA -0.474 61.587 62.300 -0.398 0.000 1.173 1057 V CB 0.071 31.705 31.823 -0.314 0.000 0.925 1057 V HN 0.136 nan 8.190 nan 0.000 0.492 1058 V N 4.338 124.098 119.914 -0.257 0.000 2.655 1058 V HA 0.089 4.210 4.120 0.002 0.000 0.300 1058 V C 0.482 176.398 176.094 -0.297 0.000 1.044 1058 V CA -0.395 61.770 62.300 -0.225 0.000 1.095 1058 V CB -0.248 31.501 31.823 -0.123 0.000 0.952 1058 V HN 0.779 nan 8.190 nan 0.000 0.485 1059 H N 4.226 123.224 119.070 -0.120 0.000 2.690 1059 H HA 0.245 4.803 4.556 0.003 0.000 0.314 1059 H C -2.324 172.893 175.328 -0.185 0.000 1.069 1059 H CA -1.993 53.986 56.048 -0.116 0.000 1.436 1059 H CB 1.129 30.844 29.762 -0.079 0.000 1.462 1059 H HN 0.463 nan 8.280 nan 0.000 0.511 1060 P HA 0.009 nan 4.420 nan 0.000 0.261 1060 P C 0.937 177.984 177.300 -0.421 0.000 1.203 1060 P CA 0.946 63.789 63.100 -0.429 0.000 0.767 1060 P CB 0.592 31.746 31.700 -0.910 0.000 0.785 1061 G N 2.564 111.172 108.800 -0.319 0.000 3.638 1061 G HA2 -0.150 3.812 3.960 0.002 0.000 0.196 1061 G HA3 -0.150 3.812 3.960 0.002 0.000 0.196 1061 G C -0.194 174.601 174.900 -0.175 0.000 1.315 1061 G CA -0.571 44.402 45.100 -0.211 0.000 0.944 1061 G HN 0.446 nan 8.290 nan 0.000 0.434 1062 E N 2.123 122.234 120.200 -0.149 0.000 3.311 1062 E HA -0.053 4.298 4.350 0.002 0.000 0.264 1062 E C 0.412 176.905 176.600 -0.178 0.000 0.875 1062 E CA 0.756 57.062 56.400 -0.156 0.000 0.969 1062 E CB 0.048 29.619 29.700 -0.214 0.000 0.910 1062 E HN 0.328 nan 8.360 nan 0.000 0.548 1063 M N 4.297 123.815 119.600 -0.135 0.000 2.923 1063 M HA 0.023 4.505 4.480 0.002 0.000 0.311 1063 M C 1.179 177.413 176.300 -0.109 0.000 1.376 1063 M CA -0.165 55.063 55.300 -0.120 0.000 1.468 1063 M CB -0.300 32.244 32.600 -0.093 0.000 1.151 1063 M HN 0.251 nan 8.290 nan 0.000 0.517 1064 V N -0.194 119.636 119.914 -0.140 0.000 3.305 1064 V HA 0.077 4.198 4.120 0.002 0.000 0.269 1064 V C 1.858 177.959 176.094 0.012 0.000 1.157 1064 V CA 1.563 63.808 62.300 -0.091 0.000 1.157 1064 V CB -1.375 30.294 31.823 -0.257 0.000 0.772 1064 V HN 0.685 nan 8.190 nan 0.000 0.498 1065 G N 0.889 109.671 108.800 -0.029 0.000 2.434 1065 G HA2 -0.147 3.814 3.960 0.002 0.000 0.214 1065 G HA3 -0.147 3.814 3.960 0.002 0.000 0.214 1065 G C 1.485 176.351 174.900 -0.057 0.000 1.202 1065 G CA 1.302 46.380 45.100 -0.037 0.000 0.788 1065 G HN 0.393 nan 8.290 nan 0.000 0.539 1066 V N 0.915 120.789 119.914 -0.067 0.000 2.295 1066 V HA -0.096 4.026 4.120 0.002 0.000 0.246 1066 V C 2.747 178.790 176.094 -0.085 0.000 1.049 1066 V CA 1.141 63.396 62.300 -0.076 0.000 1.024 1066 V CB -0.479 31.303 31.823 -0.068 0.000 0.648 1066 V HN 0.235 nan 8.190 nan 0.000 0.447 1067 L N 0.776 121.955 121.223 -0.075 0.000 1.997 1067 L HA -0.230 4.111 4.340 0.002 0.000 0.216 1067 L C 2.554 179.309 176.870 -0.191 0.000 1.074 1067 L CA 2.841 57.620 54.840 -0.101 0.000 0.763 1067 L CB -1.536 40.503 42.059 -0.033 0.000 0.890 1067 L HN 0.350 nan 8.230 nan 0.000 0.434 1068 A N -1.129 121.634 122.820 -0.094 0.000 1.930 1068 A HA -0.059 4.263 4.320 0.002 0.000 0.217 1068 A C 2.432 179.933 177.584 -0.140 0.000 1.175 1068 A CA 1.718 53.698 52.037 -0.094 0.000 0.627 1068 A CB -0.747 18.321 19.000 0.114 0.000 0.815 1068 A HN 0.517 nan 8.150 nan 0.000 0.443 1069 A N -0.522 122.227 122.820 -0.120 0.000 1.902 1069 A HA -0.200 4.122 4.320 0.002 0.000 0.217 1069 A C 2.126 179.627 177.584 -0.138 0.000 1.181 1069 A CA 1.601 53.563 52.037 -0.125 0.000 0.623 1069 A CB -0.543 18.382 19.000 -0.126 0.000 0.818 1069 A HN 0.648 nan 8.150 nan 0.000 0.443 1070 Q N -0.357 119.354 119.800 -0.148 0.000 2.119 1070 Q HA -0.082 4.260 4.340 0.002 0.000 0.201 1070 Q C 2.339 178.232 176.000 -0.178 0.000 0.972 1070 Q CA 1.525 57.233 55.803 -0.159 0.000 0.847 1070 Q CB -0.185 28.472 28.738 -0.134 0.000 0.903 1070 Q HN 0.623 nan 8.270 nan 0.000 0.433 1071 S N 0.703 116.266 115.700 -0.229 0.000 2.399 1071 S HA -0.080 4.392 4.470 0.002 0.000 0.231 1071 S C 1.874 176.378 174.600 -0.161 0.000 1.022 1071 S CA 0.924 58.967 58.200 -0.261 0.000 0.983 1071 S CB -0.044 62.759 63.200 -0.660 0.000 0.803 1071 S HN 0.273 nan 8.310 nan 0.000 0.480 1072 I N 0.753 121.240 120.570 -0.138 0.000 2.429 1072 I HA 0.061 4.233 4.170 0.002 0.000 0.247 1072 I C 2.559 178.616 176.117 -0.101 0.000 1.099 1072 I CA 0.875 62.116 61.300 -0.099 0.000 1.422 1072 I CB -0.546 37.404 38.000 -0.083 0.000 1.112 1072 I HN 0.320 nan 8.210 nan 0.000 0.430 1073 G N 0.038 108.770 108.800 -0.113 0.000 2.598 1073 G HA2 -0.164 3.798 3.960 0.002 0.000 0.215 1073 G HA3 -0.164 3.798 3.960 0.002 0.000 0.215 1073 G C 1.499 176.327 174.900 -0.120 0.000 1.131 1073 G CA 0.194 45.230 45.100 -0.106 0.000 0.785 1073 G HN 0.282 nan 8.290 nan 0.000 0.539 1074 E N 1.255 121.363 120.200 -0.154 0.000 2.021 1074 E HA -0.036 4.315 4.350 0.002 0.000 0.189 1074 E C -0.100 176.436 176.600 -0.107 0.000 0.980 1074 E CA 0.740 57.028 56.400 -0.186 0.000 0.803 1074 E CB -0.432 29.072 29.700 -0.327 0.000 0.766 1074 E HN 0.312 nan 8.360 nan 0.000 0.449 1075 P HA -0.057 nan 4.420 nan 0.000 0.223 1075 P C 1.182 178.453 177.300 -0.049 0.000 1.151 1075 P CA 1.424 64.495 63.100 -0.048 0.000 0.787 1075 P CB -0.128 31.546 31.700 -0.044 0.000 0.788 1076 A N 0.644 123.428 122.820 -0.059 0.000 1.927 1076 A HA -0.214 4.107 4.320 0.002 0.000 0.220 1076 A C 2.196 179.758 177.584 -0.038 0.000 1.185 1076 A CA 2.741 54.749 52.037 -0.049 0.000 0.639 1076 A CB -2.013 16.954 19.000 -0.054 0.000 0.820 1076 A HN 0.271 nan 8.150 nan 0.000 0.451 1077 T N -0.315 114.212 114.554 -0.045 0.000 3.072 1077 T HA -0.023 4.328 4.350 0.002 0.000 0.266 1077 T C 1.227 175.912 174.700 -0.026 0.000 1.127 1077 T CA 1.131 63.210 62.100 -0.035 0.000 1.107 1077 T CB -0.036 68.804 68.868 -0.047 0.000 0.910 1077 T HN 0.503 nan 8.240 nan 0.000 0.513 1078 Q N 0.307 120.092 119.800 -0.025 0.000 2.220 1078 Q HA 0.352 4.694 4.340 0.002 0.000 0.205 1078 Q C 0.040 176.033 176.000 -0.011 0.000 0.865 1078 Q CA 0.051 55.846 55.803 -0.015 0.000 0.960 1078 Q CB -0.101 28.631 28.738 -0.010 0.000 1.097 1078 Q HN 0.563 nan 8.270 nan 0.000 0.493 1079 M N 0.922 120.514 119.600 -0.014 0.000 2.209 1079 M HA 0.358 4.840 4.480 0.002 0.000 0.355 1079 M C -0.498 175.799 176.300 -0.004 0.000 1.171 1079 M CA 0.337 55.632 55.300 -0.009 0.000 1.069 1079 M CB 1.566 34.158 32.600 -0.013 0.000 1.622 1079 M HN -0.193 nan 8.290 nan 0.000 0.459 1080 T N 3.614 118.169 114.554 0.000 0.000 3.047 1080 T HA 0.662 5.013 4.350 0.002 0.000 0.340 1080 T C -1.044 173.660 174.700 0.007 0.000 1.421 1080 T CA -0.722 61.380 62.100 0.003 0.000 1.090 1080 T CB 1.698 70.568 68.868 0.002 0.000 1.292 1080 T HN 0.614 nan 8.240 nan 0.000 0.480 1093 K N 0.240 120.659 120.400 0.032 0.000 2.438 1093 K HA 0.170 4.491 4.320 0.002 0.000 0.205 1093 K C 0.464 177.085 176.600 0.036 0.000 1.033 1093 K CA -0.074 56.232 56.287 0.031 0.000 1.089 1093 K CB 1.149 33.667 32.500 0.030 0.000 0.857 1093 K HN -0.070 nan 8.250 nan 0.000 0.522 1094 V N 2.162 122.101 119.914 0.042 0.000 2.607 1094 V HA 0.084 4.206 4.120 0.002 0.000 0.289 1094 V C 0.628 176.749 176.094 0.044 0.000 1.053 1094 V CA -0.982 61.347 62.300 0.049 0.000 0.996 1094 V CB 0.838 32.699 31.823 0.063 0.000 0.995 1094 V HN 0.279 nan 8.190 nan 0.000 0.476 1095 T N 2.012 116.593 114.554 0.046 0.000 2.829 1095 T HA 0.388 4.739 4.350 0.002 0.000 0.293 1095 T C 0.235 174.963 174.700 0.046 0.000 0.970 1095 T CA -0.052 62.074 62.100 0.044 0.000 1.168 1095 T CB 0.087 68.983 68.868 0.046 0.000 0.911 1095 T HN 1.147 nan 8.240 nan 0.000 0.535 1096 S N 1.721 117.442 115.700 0.036 0.000 2.588 1096 S HA 0.880 5.352 4.470 0.002 0.000 0.275 1096 S C 0.262 174.875 174.600 0.021 0.000 1.130 1096 S CA -0.236 57.982 58.200 0.030 0.000 0.855 1096 S CB 1.649 64.865 63.200 0.026 0.000 1.116 1096 S HN 2.092 nan 8.310 nan 0.000 0.472 1097 G N 0.811 109.618 108.800 0.013 0.000 2.632 1097 G HA2 -0.153 3.808 3.960 0.002 0.000 0.224 1097 G HA3 -0.153 3.808 3.960 0.002 0.000 0.224 1097 G C 0.529 175.435 174.900 0.009 0.000 1.341 1097 G CA -0.147 44.956 45.100 0.005 0.000 0.880 1097 G HN 1.642 nan 8.290 nan 0.000 0.566 1098 V N 2.484 122.402 119.914 0.006 0.000 2.277 1098 V HA -0.238 3.883 4.120 0.002 0.000 0.255 1098 V C 0.980 177.086 176.094 0.020 0.000 1.074 1098 V CA 3.497 65.803 62.300 0.010 0.000 1.058 1098 V CB -1.584 30.246 31.823 0.011 0.000 0.656 1098 V HN 0.801 nan 8.190 nan 0.000 0.449 1099 P HA -0.187 nan 4.420 nan 0.000 0.216 1099 P C 1.595 178.919 177.300 0.040 0.000 1.153 1099 P CA 1.659 64.778 63.100 0.033 0.000 0.848 1099 P CB -0.077 31.642 31.700 0.030 0.000 0.787 1100 R N 0.442 120.966 120.500 0.040 0.000 2.082 1100 R HA -0.115 4.227 4.340 0.002 0.000 0.234 1100 R C 2.403 178.736 176.300 0.054 0.000 1.136 1100 R CA 1.334 57.465 56.100 0.053 0.000 0.935 1100 R CB -1.850 28.480 30.300 0.050 0.000 0.842 1100 R HN 0.048 nan 8.270 nan 0.000 0.430 1101 L N 1.179 122.421 121.223 0.032 0.000 2.129 1101 L HA -0.182 4.160 4.340 0.002 0.000 0.212 1101 L C 2.258 179.145 176.870 0.028 0.000 1.087 1101 L CA 2.022 56.873 54.840 0.018 0.000 0.757 1101 L CB -0.469 41.586 42.059 -0.006 0.000 0.896 1101 L HN 0.297 nan 8.230 nan 0.000 0.434 1102 K N -0.731 119.690 120.400 0.035 0.000 2.097 1102 K HA -0.190 4.131 4.320 0.002 0.000 0.205 1102 K C 1.889 178.527 176.600 0.064 0.000 1.050 1102 K CA 1.558 57.871 56.287 0.042 0.000 0.938 1102 K CB -0.021 32.508 32.500 0.047 0.000 0.718 1102 K HN 0.475 nan 8.250 nan 0.000 0.442 1103 E N 0.693 120.940 120.200 0.077 0.000 2.005 1103 E HA -0.212 4.139 4.350 0.002 0.000 0.198 1103 E C 2.054 178.750 176.600 0.158 0.000 1.010 1103 E CA 1.703 58.165 56.400 0.103 0.000 0.825 1103 E CB -0.204 29.556 29.700 0.100 0.000 0.769 1103 E HN 0.267 nan 8.360 nan 0.000 0.456 1104 I N 0.729 121.412 120.570 0.188 0.000 2.143 1104 I HA -0.336 3.836 4.170 0.002 0.000 0.245 1104 I C 2.309 178.535 176.117 0.181 0.000 1.068 1104 I CA 1.230 62.678 61.300 0.247 0.000 1.326 1104 I CB -0.271 37.777 38.000 0.080 0.000 1.028 1104 I HN 0.122 nan 8.210 nan 0.000 0.412 1105 L N 0.008 121.285 121.223 0.089 0.000 2.240 1105 L HA -0.071 4.271 4.340 0.002 0.000 0.211 1105 L C 1.954 178.882 176.870 0.096 0.000 1.106 1105 L CA 1.064 55.938 54.840 0.056 0.000 0.793 1105 L CB -0.571 41.487 42.059 -0.002 0.000 0.927 1105 L HN 0.204 nan 8.230 nan 0.000 0.446 1106 N N -0.309 118.457 118.700 0.109 0.000 2.515 1106 N HA -0.007 4.735 4.740 0.002 0.000 0.185 1106 N C -0.072 175.523 175.510 0.142 0.000 1.109 1106 N CA 0.283 53.404 53.050 0.118 0.000 0.903 1106 N CB 0.250 38.798 38.487 0.101 0.000 0.969 1106 N HN -0.038 nan 8.380 nan 0.000 0.450 1107 V N 0.423 120.450 119.914 0.188 0.000 5.574 1107 V HA -0.253 3.869 4.120 0.002 0.000 0.296 1107 V C 0.252 176.393 176.094 0.078 0.000 0.678 1107 V CA 0.191 62.602 62.300 0.186 0.000 1.093 1107 V CB -2.348 29.577 31.823 0.169 0.000 1.279 1107 V HN 0.370 nan 8.190 nan 0.000 0.446 1108 A N 5.242 128.092 122.820 0.049 0.000 2.415 1108 A HA 0.507 4.829 4.320 0.002 0.000 0.309 1108 A C 1.251 178.798 177.584 -0.061 0.000 1.356 1108 A CA -0.398 51.645 52.037 0.010 0.000 0.998 1108 A CB 0.500 19.521 19.000 0.035 0.000 1.145 1108 A HN 0.627 nan 8.150 nan 0.000 0.545 1109 K N 1.762 122.136 120.400 -0.043 0.000 2.025 1109 K HA -0.069 4.252 4.320 0.002 0.000 0.207 1109 K C 0.236 176.807 176.600 -0.048 0.000 1.049 1109 K CA 1.047 57.299 56.287 -0.058 0.000 0.933 1109 K CB -0.077 32.403 32.500 -0.034 0.000 0.714 1109 K HN 0.800 nan 8.250 nan 0.000 0.438 1110 N N 2.623 121.310 118.700 -0.022 0.000 3.259 1110 N HA 0.031 4.772 4.740 0.002 0.000 0.308 1110 N C 0.250 175.755 175.510 -0.009 0.000 1.334 1110 N CA 0.021 53.063 53.050 -0.013 0.000 1.202 1110 N CB -0.222 38.265 38.487 0.001 0.000 1.485 1110 N HN 0.319 nan 8.380 nan 0.000 0.549 1111 M N -1.562 118.024 119.600 -0.023 0.000 2.235 1111 M HA 0.259 4.740 4.480 0.002 0.000 0.351 1111 M C 0.688 176.987 176.300 -0.002 0.000 1.178 1111 M CA -0.223 55.070 55.300 -0.012 0.000 1.143 1111 M CB 1.639 34.221 32.600 -0.030 0.000 1.530 1111 M HN -0.156 nan 8.290 nan 0.000 0.461 1112 K N 1.141 121.549 120.400 0.012 0.000 2.031 1112 K HA 0.026 4.348 4.320 0.002 0.000 0.205 1112 K C 0.127 176.736 176.600 0.015 0.000 1.049 1112 K CA 1.402 57.699 56.287 0.016 0.000 0.939 1112 K CB 0.120 32.634 32.500 0.024 0.000 0.717 1112 K HN 0.804 nan 8.250 nan 0.000 0.438 1113 T N 2.983 117.549 114.554 0.021 0.000 3.390 1113 T HA 0.271 4.623 4.350 0.002 0.000 0.351 1113 T C -2.667 172.044 174.700 0.019 0.000 1.759 1113 T CA -1.432 60.682 62.100 0.023 0.000 1.561 1113 T CB 1.277 70.166 68.868 0.036 0.000 1.011 1113 T HN -0.077 nan 8.240 nan 0.000 0.689 1114 P HA 0.433 nan 4.420 nan 0.000 0.272 1114 P C -0.320 176.979 177.300 -0.002 0.000 1.230 1114 P CA -0.175 62.918 63.100 -0.012 0.000 0.788 1114 P CB 0.682 32.364 31.700 -0.029 0.000 0.949 1115 S N 1.539 117.232 115.700 -0.011 0.000 2.579 1115 S HA 0.411 4.882 4.470 0.002 0.000 0.290 1115 S C -1.772 172.814 174.600 -0.024 0.000 1.123 1115 S CA -0.742 57.458 58.200 -0.000 0.000 0.894 1115 S CB 0.194 63.414 63.200 0.033 0.000 1.095 1115 S HN 0.135 nan 8.310 nan 0.000 0.450 1116 L N 3.336 124.544 121.223 -0.025 0.000 2.344 1116 L HA 0.651 4.993 4.340 0.002 0.000 0.272 1116 L C 0.105 176.949 176.870 -0.042 0.000 1.035 1116 L CA -0.302 54.513 54.840 -0.041 0.000 0.807 1116 L CB 1.663 43.696 42.059 -0.043 0.000 1.237 1116 L HN 0.901 nan 8.230 nan 0.000 0.442 1117 T N 1.389 115.903 114.554 -0.066 0.000 2.864 1117 T HA 0.513 4.865 4.350 0.002 0.000 0.310 1117 T C -0.134 174.343 174.700 -0.373 0.000 1.040 1117 T CA -0.516 61.462 62.100 -0.203 0.000 0.977 1117 T CB 1.308 70.087 68.868 -0.148 0.000 0.976 1117 T HN 0.217 nan 8.240 nan 0.000 0.459 1118 V N 3.615 123.319 119.914 -0.350 0.000 2.439 1118 V HA 0.462 4.584 4.120 0.002 0.000 0.282 1118 V C -0.764 175.126 176.094 -0.340 0.000 1.039 1118 V CA -1.010 61.134 62.300 -0.260 0.000 0.913 1118 V CB 0.330 32.089 31.823 -0.105 0.000 0.983 1118 V HN 0.797 nan 8.190 nan 0.000 0.460 1119 Y N 3.209 123.505 120.300 -0.008 0.000 2.377 1119 Y HA 0.576 5.127 4.550 0.002 0.000 0.339 1119 Y C 0.146 176.056 175.900 0.017 0.000 1.011 1119 Y CA -0.880 57.216 58.100 -0.007 0.000 1.093 1119 Y CB 1.848 40.309 38.460 0.002 0.000 1.201 1119 Y HN 0.459 nan 8.280 nan 0.000 0.455 1120 L N 2.046 123.400 121.223 0.218 0.000 2.464 1120 L HA 0.078 4.420 4.340 0.002 0.000 0.264 1120 L C 0.395 177.344 176.870 0.132 0.000 1.199 1120 L CA 0.120 55.050 54.840 0.150 0.000 0.818 1120 L CB 0.377 42.530 42.059 0.157 0.000 1.102 1120 L HN 0.601 nan 8.230 nan 0.000 0.473 1121 E N 3.109 123.380 120.200 0.120 0.000 2.529 1121 E HA -0.087 4.265 4.350 0.002 0.000 0.259 1121 E C -1.620 175.030 176.600 0.084 0.000 0.966 1121 E CA -0.877 55.590 56.400 0.110 0.000 0.937 1121 E CB 0.730 30.525 29.700 0.158 0.000 0.923 1121 E HN 0.342 nan 8.360 nan 0.000 0.468 1122 P HA -0.230 nan 4.420 nan 0.000 0.218 1122 P C 0.934 178.219 177.300 -0.025 0.000 1.154 1122 P CA 1.759 64.861 63.100 0.003 0.000 0.872 1122 P CB 0.098 31.791 31.700 -0.012 0.000 0.790 1123 G N -0.610 108.155 108.800 -0.058 0.000 2.556 1123 G HA2 -0.142 3.819 3.960 0.002 0.000 0.215 1123 G HA3 -0.142 3.819 3.960 0.002 0.000 0.215 1123 G C 0.408 175.187 174.900 -0.202 0.000 1.258 1123 G CA 0.324 45.306 45.100 -0.195 0.000 0.811 1123 G HN 0.301 nan 8.290 nan 0.000 0.557 1124 H N 1.135 120.220 119.070 0.024 0.000 2.944 1124 H HA 0.465 5.023 4.556 0.002 0.000 0.278 1124 H C 0.787 176.150 175.328 0.058 0.000 1.083 1124 H CA 0.321 56.389 56.048 0.034 0.000 1.479 1124 H CB 1.239 31.014 29.762 0.022 0.000 1.486 1124 H HN 0.328 nan 8.280 nan 0.000 0.493 1125 A N 3.125 126.039 122.820 0.157 0.000 1.989 1125 A HA 0.335 4.656 4.320 0.002 0.000 0.201 1125 A C 1.882 179.616 177.584 0.250 0.000 1.720 1125 A CA 0.545 52.682 52.037 0.168 0.000 0.956 1125 A CB -0.313 18.753 19.000 0.110 0.000 1.094 1125 A HN 0.596 nan 8.150 nan 0.000 0.561 1126 A N -0.206 122.758 122.820 0.240 0.000 2.251 1126 A HA 0.165 4.487 4.320 0.002 0.000 0.209 1126 A C 0.557 178.339 177.584 0.330 0.000 1.187 1126 A CA 0.399 52.659 52.037 0.371 0.000 0.823 1126 A CB -0.376 18.763 19.000 0.232 0.000 0.846 1126 A HN 0.351 nan 8.150 nan 0.000 0.486 1127 D N 1.113 121.627 120.400 0.189 0.000 2.482 1127 D HA 0.028 4.669 4.640 0.002 0.000 0.244 1127 D C 1.396 177.646 176.300 -0.083 0.000 1.242 1127 D CA 0.216 54.261 54.000 0.075 0.000 1.097 1127 D CB 0.424 41.285 40.800 0.100 0.000 1.109 1127 D HN 0.648 nan 8.370 nan 0.000 0.510 1128 Q N 1.735 121.411 119.800 -0.206 0.000 2.224 1128 Q HA -0.140 4.202 4.340 0.002 0.000 0.203 1128 Q C 1.566 177.280 176.000 -0.475 0.000 0.970 1128 Q CA 1.195 56.587 55.803 -0.684 0.000 0.865 1128 Q CB -0.058 28.232 28.738 -0.746 0.000 0.922 1128 Q HN 0.400 nan 8.270 nan 0.000 0.445 1129 E N 0.326 120.374 120.200 -0.253 0.000 2.208 1129 E HA -0.222 4.130 4.350 0.002 0.000 0.193 1129 E C 1.944 178.439 176.600 -0.176 0.000 0.988 1129 E CA 0.990 57.276 56.400 -0.190 0.000 0.828 1129 E CB 0.107 29.738 29.700 -0.116 0.000 0.763 1129 E HN 0.683 nan 8.360 nan 0.000 0.478 1130 Q N -0.101 119.601 119.800 -0.163 0.000 2.096 1130 Q HA -0.094 4.247 4.340 0.002 0.000 0.197 1130 Q C 2.074 177.986 176.000 -0.147 0.000 0.964 1130 Q CA 1.113 56.831 55.803 -0.141 0.000 0.838 1130 Q CB -0.082 28.583 28.738 -0.122 0.000 0.906 1130 Q HN 0.243 nan 8.270 nan 0.000 0.444 1131 A N 1.473 124.179 122.820 -0.190 0.000 1.903 1131 A HA -0.284 4.037 4.320 0.002 0.000 0.219 1131 A C 1.993 179.466 177.584 -0.185 0.000 1.191 1131 A CA 1.988 53.914 52.037 -0.184 0.000 0.638 1131 A CB -0.576 18.247 19.000 -0.294 0.000 0.823 1131 A HN 0.355 nan 8.150 nan 0.000 0.451 1132 K N -0.686 119.574 120.400 -0.234 0.000 2.074 1132 K HA -0.109 4.213 4.320 0.002 0.000 0.209 1132 K C 1.877 178.390 176.600 -0.144 0.000 1.048 1132 K CA 1.562 57.729 56.287 -0.200 0.000 0.926 1132 K CB -0.371 32.008 32.500 -0.202 0.000 0.713 1132 K HN 0.534 nan 8.250 nan 0.000 0.444 1133 L N 0.280 121.427 121.223 -0.126 0.000 2.109 1133 L HA -0.140 4.202 4.340 0.002 0.000 0.207 1133 L C 2.263 179.085 176.870 -0.080 0.000 1.086 1133 L CA 0.893 55.676 54.840 -0.096 0.000 0.760 1133 L CB -0.292 41.712 42.059 -0.092 0.000 0.910 1133 L HN 0.166 nan 8.230 nan 0.000 0.437 1134 I N -0.363 120.158 120.570 -0.081 0.000 2.353 1134 I HA -0.244 3.927 4.170 0.002 0.000 0.248 1134 I C 2.801 178.885 176.117 -0.055 0.000 1.119 1134 I CA 0.826 62.091 61.300 -0.058 0.000 1.417 1134 I CB -0.211 37.761 38.000 -0.047 0.000 1.078 1134 I HN 0.198 nan 8.210 nan 0.000 0.421 1135 R N 1.129 121.584 120.500 -0.075 0.000 2.097 1135 R HA -0.244 4.097 4.340 0.002 0.000 0.236 1135 R C 2.460 178.728 176.300 -0.053 0.000 1.135 1135 R CA 2.452 58.507 56.100 -0.074 0.000 0.934 1135 R CB -0.457 29.765 30.300 -0.130 0.000 0.846 1135 R HN 0.423 nan 8.270 nan 0.000 0.431 1136 S N -0.511 115.151 115.700 -0.064 0.000 2.469 1136 S HA -0.020 4.452 4.470 0.002 0.000 0.238 1136 S C 1.737 176.319 174.600 -0.030 0.000 0.998 1136 S CA 0.815 58.989 58.200 -0.043 0.000 0.957 1136 S CB 0.024 63.192 63.200 -0.053 0.000 0.764 1136 S HN 0.495 nan 8.310 nan 0.000 0.514 1137 A N 0.195 122.996 122.820 -0.032 0.000 2.307 1137 A HA 0.460 4.781 4.320 0.002 0.000 0.218 1137 A C 1.529 179.108 177.584 -0.008 0.000 1.228 1137 A CA -0.033 51.991 52.037 -0.022 0.000 0.857 1137 A CB -0.220 18.763 19.000 -0.028 0.000 0.897 1137 A HN 0.521 nan 8.150 nan 0.000 0.495 1138 I N -1.042 119.526 120.570 -0.002 0.000 3.632 1138 I HA 0.101 4.273 4.170 0.002 0.000 0.246 1138 I C 0.960 177.101 176.117 0.039 0.000 1.125 1138 I CA 0.105 61.413 61.300 0.013 0.000 1.519 1138 I CB -1.375 36.627 38.000 0.002 0.000 1.555 1138 I HN 0.406 nan 8.210 nan 0.000 0.452 1139 E N 2.468 122.694 120.200 0.042 0.000 2.868 1139 E HA -0.206 4.146 4.350 0.002 0.000 0.246 1139 E C -0.099 176.553 176.600 0.088 0.000 0.962 1139 E CA 0.300 56.744 56.400 0.074 0.000 0.955 1139 E CB 0.020 29.771 29.700 0.085 0.000 0.903 1139 E HN 0.180 nan 8.360 nan 0.000 0.524 1140 H N 3.084 122.157 119.070 0.006 0.000 2.871 1140 H HA 0.117 4.675 4.556 0.003 0.000 0.355 1140 H C -0.939 174.387 175.328 -0.003 0.000 1.092 1140 H CA 0.638 56.683 56.048 -0.004 0.000 1.420 1140 H CB 0.763 30.521 29.762 -0.007 0.000 1.400 1140 H HN 0.378 nan 8.280 nan 0.000 0.604 1141 T N 4.702 118.903 114.554 -0.588 0.000 3.109 1141 T HA 0.284 4.636 4.350 0.002 0.000 0.311 1141 T C -0.634 173.749 174.700 -0.529 0.000 1.011 1141 T CA -0.831 61.026 62.100 -0.405 0.000 1.026 1141 T CB 0.919 69.671 68.868 -0.194 0.000 1.047 1141 T HN 0.721 nan 8.240 nan 0.000 0.448 1142 T N 1.134 115.473 114.554 -0.359 0.000 2.927 1142 T HA 0.484 4.836 4.350 0.002 0.000 0.281 1142 T C 1.336 175.969 174.700 -0.112 0.000 0.998 1142 T CA -0.925 61.058 62.100 -0.195 0.000 1.019 1142 T CB 1.110 69.941 68.868 -0.062 0.000 1.061 1142 T HN 0.232 nan 8.240 nan 0.000 0.518 1143 L N 0.939 122.121 121.223 -0.069 0.000 2.042 1143 L HA -0.013 4.329 4.340 0.002 0.000 0.210 1143 L C 2.600 179.451 176.870 -0.032 0.000 1.076 1143 L CA 1.892 56.705 54.840 -0.045 0.000 0.749 1143 L CB -1.057 40.992 42.059 -0.018 0.000 0.893 1143 L HN 0.883 nan 8.230 nan 0.000 0.432 1144 K N -0.560 119.828 120.400 -0.020 0.000 2.052 1144 K HA -0.279 4.043 4.320 0.002 0.000 0.215 1144 K C 2.079 178.669 176.600 -0.017 0.000 1.053 1144 K CA 2.282 58.563 56.287 -0.009 0.000 0.934 1144 K CB -0.350 32.150 32.500 0.001 0.000 0.717 1144 K HN 0.633 nan 8.250 nan 0.000 0.450 1145 S N -0.425 115.257 115.700 -0.030 0.000 2.465 1145 S HA -0.108 4.364 4.470 0.002 0.000 0.241 1145 S C 1.670 176.251 174.600 -0.032 0.000 1.000 1145 S CA 1.327 59.507 58.200 -0.033 0.000 0.964 1145 S CB -0.267 62.904 63.200 -0.048 0.000 0.763 1145 S HN 0.279 nan 8.310 nan 0.000 0.512 1146 V N -2.140 117.754 119.914 -0.033 0.000 3.604 1146 V HA 0.244 4.366 4.120 0.002 0.000 0.277 1146 V C 0.563 176.646 176.094 -0.018 0.000 1.399 1146 V CA -0.075 62.207 62.300 -0.030 0.000 1.034 1146 V CB -0.911 30.887 31.823 -0.041 0.000 0.824 1146 V HN 0.296 nan 8.190 nan 0.000 0.439 1147 T N 2.778 117.324 114.554 -0.012 0.000 2.888 1147 T HA 0.328 4.680 4.350 0.002 0.000 0.301 1147 T C 1.249 175.951 174.700 0.004 0.000 1.001 1147 T CA 0.165 62.264 62.100 -0.000 0.000 1.147 1147 T CB 1.487 70.359 68.868 0.006 0.000 0.931 1147 T HN 0.054 nan 8.240 nan 0.000 0.541 1148 I N 1.238 121.814 120.570 0.010 0.000 2.270 1148 I HA 0.234 4.406 4.170 0.002 0.000 0.239 1148 I C 1.309 177.438 176.117 0.019 0.000 1.080 1148 I CA 0.756 62.063 61.300 0.013 0.000 1.383 1148 I CB -0.757 37.253 38.000 0.016 0.000 1.097 1148 I HN 0.675 nan 8.210 nan 0.000 0.420 1149 A N 0.380 123.217 122.820 0.029 0.000 2.520 1149 A HA 0.565 4.886 4.320 0.002 0.000 0.298 1149 A C -0.403 177.210 177.584 0.049 0.000 1.051 1149 A CA -0.363 51.697 52.037 0.038 0.000 0.690 1149 A CB 1.381 20.410 19.000 0.047 0.000 1.281 1149 A HN 0.231 nan 8.150 nan 0.000 0.402 1150 S N 1.364 117.093 115.700 0.050 0.000 2.454 1150 S HA 0.798 5.269 4.470 0.002 0.000 0.306 1150 S C -0.653 173.996 174.600 0.081 0.000 1.100 1150 S CA -0.448 57.788 58.200 0.060 0.000 1.087 1150 S CB 1.359 64.585 63.200 0.043 0.000 1.019 1150 S HN 0.679 nan 8.310 nan 0.000 0.480 1151 E N 1.665 121.941 120.200 0.128 0.000 2.317 1151 E HA 0.546 4.898 4.350 0.002 0.000 0.270 1151 E C -1.198 175.537 176.600 0.224 0.000 0.885 1151 E CA -0.709 55.804 56.400 0.188 0.000 0.760 1151 E CB 2.174 32.102 29.700 0.381 0.000 1.227 1151 E HN 0.669 nan 8.360 nan 0.000 0.434 1152 I N 2.899 123.566 120.570 0.161 0.000 2.382 1152 I HA 0.343 4.515 4.170 0.002 0.000 0.286 1152 I C -1.141 175.098 176.117 0.203 0.000 1.002 1152 I CA -0.595 60.818 61.300 0.187 0.000 1.135 1152 I CB 0.591 38.615 38.000 0.041 0.000 1.288 1152 I HN 0.413 nan 8.210 nan 0.000 0.448 1153 Y N 4.583 125.007 120.300 0.208 0.000 2.587 1153 Y HA 0.358 4.909 4.550 0.002 0.000 0.337 1153 Y C -0.554 175.591 175.900 0.409 0.000 1.065 1153 Y CA -0.756 57.491 58.100 0.245 0.000 1.126 1153 Y CB 1.606 40.151 38.460 0.143 0.000 1.279 1153 Y HN 0.369 nan 8.280 nan 0.000 0.489 1154 Y N 2.042 122.565 120.300 0.371 0.000 2.404 1154 Y HA 0.377 4.928 4.550 0.002 0.000 0.344 1154 Y C -1.020 174.906 175.900 0.043 0.000 0.970 1154 Y CA -0.569 57.596 58.100 0.108 0.000 1.180 1154 Y CB 0.543 38.984 38.460 -0.031 0.000 1.138 1154 Y HN 0.549 nan 8.280 nan 0.000 0.510 1155 D N 8.539 128.736 120.400 -0.338 0.000 2.402 1155 D HA 0.323 4.964 4.640 0.002 0.000 0.252 1155 D C -2.283 173.717 176.300 -0.499 0.000 1.294 1155 D CA -2.013 51.823 54.000 -0.274 0.000 0.948 1155 D CB 1.873 42.615 40.800 -0.097 0.000 1.202 1155 D HN 0.267 nan 8.370 nan 0.000 0.561 1156 P HA 0.121 nan 4.420 nan 0.000 0.239 1156 P C -0.125 177.007 177.300 -0.280 0.000 1.188 1156 P CA 0.127 62.906 63.100 -0.535 0.000 0.794 1156 P CB 0.558 31.990 31.700 -0.446 0.000 0.937 1157 D N 0.750 121.030 120.400 -0.200 0.000 2.485 1157 D HA 0.204 4.845 4.640 0.002 0.000 0.221 1157 D C -1.783 174.435 176.300 -0.137 0.000 1.112 1157 D CA -2.375 51.541 54.000 -0.141 0.000 0.911 1157 D CB 0.756 41.498 40.800 -0.096 0.000 1.019 1157 D HN -0.055 nan 8.370 nan 0.000 0.516 1158 P HA -0.033 nan 4.420 nan 0.000 0.228 1158 P C 1.142 178.367 177.300 -0.125 0.000 1.151 1158 P CA 0.548 63.555 63.100 -0.155 0.000 0.770 1158 P CB 0.365 31.941 31.700 -0.206 0.000 0.786 1159 R N -0.571 119.860 120.500 -0.114 0.000 2.173 1159 R HA 0.167 4.509 4.340 0.002 0.000 0.208 1159 R C 0.668 176.924 176.300 -0.073 0.000 1.035 1159 R CA 0.784 56.826 56.100 -0.097 0.000 1.004 1159 R CB -0.207 30.031 30.300 -0.103 0.000 0.917 1159 R HN 0.271 nan 8.270 nan 0.000 0.462 1160 S N -0.070 115.589 115.700 -0.069 0.000 2.619 1160 S HA 0.412 4.883 4.470 0.002 0.000 0.280 1160 S C -0.392 174.177 174.600 -0.051 0.000 1.150 1160 S CA -0.811 57.358 58.200 -0.052 0.000 0.978 1160 S CB 2.561 65.736 63.200 -0.042 0.000 1.041 1160 S HN -0.118 nan 8.310 nan 0.000 0.485 1161 T N 2.222 116.750 114.554 -0.044 0.000 2.874 1161 T HA 0.370 4.721 4.350 0.002 0.000 0.281 1161 T C 1.602 176.290 174.700 -0.021 0.000 0.994 1161 T CA -0.675 61.399 62.100 -0.044 0.000 1.015 1161 T CB 1.193 70.027 68.868 -0.057 0.000 1.028 1161 T HN 0.524 nan 8.240 nan 0.000 0.523 1162 V N 0.712 120.624 119.914 -0.003 0.000 2.488 1162 V HA 0.066 4.187 4.120 0.002 0.000 0.246 1162 V C 1.063 177.169 176.094 0.021 0.000 1.046 1162 V CA 1.025 63.342 62.300 0.029 0.000 1.053 1162 V CB -0.641 31.232 31.823 0.084 0.000 0.679 1162 V HN 0.669 nan 8.190 nan 0.000 0.458 1163 I N 2.885 123.447 120.570 -0.012 0.000 2.533 1163 I HA 0.100 4.271 4.170 0.002 0.000 0.284 1163 I C -0.852 175.254 176.117 -0.018 0.000 1.109 1163 I CA -1.134 60.151 61.300 -0.024 0.000 1.412 1163 I CB 0.717 38.651 38.000 -0.110 0.000 1.396 1163 I HN 0.126 nan 8.210 nan 0.000 0.543 1164 P HA -0.049 nan 4.420 nan 0.000 0.231 1164 P C 0.762 178.060 177.300 -0.003 0.000 1.168 1164 P CA 0.991 64.092 63.100 0.001 0.000 0.779 1164 P CB 0.280 31.986 31.700 0.010 0.000 0.844 1165 E N 0.123 120.318 120.200 -0.008 0.000 2.216 1165 E HA -0.061 4.290 4.350 0.002 0.000 0.192 1165 E C 0.267 176.858 176.600 -0.014 0.000 0.988 1165 E CA 0.588 56.984 56.400 -0.008 0.000 0.834 1165 E CB -0.254 29.442 29.700 -0.007 0.000 0.772 1165 E HN 0.215 nan 8.360 nan 0.000 0.479 1166 D N 0.796 121.179 120.400 -0.029 0.000 2.881 1166 D HA 0.030 4.671 4.640 0.002 0.000 0.240 1166 D C 0.682 176.969 176.300 -0.022 0.000 1.249 1166 D CA 0.165 54.145 54.000 -0.032 0.000 0.839 1166 D CB 0.195 40.957 40.800 -0.062 0.000 1.042 1166 D HN 0.195 nan 8.370 nan 0.000 0.475 1167 E N 0.514 120.707 120.200 -0.011 0.000 2.011 1167 E HA -0.110 4.242 4.350 0.002 0.000 0.191 1167 E C 1.419 178.020 176.600 0.000 0.000 0.980 1167 E CA 0.455 56.851 56.400 -0.006 0.000 0.814 1167 E CB 0.304 30.003 29.700 -0.002 0.000 0.775 1167 E HN 0.178 nan 8.360 nan 0.000 0.454 1168 E N -0.054 120.150 120.200 0.007 0.000 2.204 1168 E HA -0.152 4.200 4.350 0.002 0.000 0.194 1168 E C 1.960 178.571 176.600 0.018 0.000 0.989 1168 E CA 0.513 56.922 56.400 0.014 0.000 0.824 1168 E CB 0.074 29.783 29.700 0.016 0.000 0.756 1168 E HN 0.228 nan 8.360 nan 0.000 0.477 1169 I N 0.772 121.349 120.570 0.012 0.000 2.394 1169 I HA -0.250 3.921 4.170 0.002 0.000 0.251 1169 I C 1.982 178.104 176.117 0.009 0.000 1.136 1169 I CA 0.601 61.907 61.300 0.010 0.000 1.425 1169 I CB -0.055 37.948 38.000 0.006 0.000 1.079 1169 I HN 0.244 nan 8.210 nan 0.000 0.425 1170 I N 0.164 120.738 120.570 0.007 0.000 2.286 1170 I HA -0.237 3.934 4.170 0.002 0.000 0.245 1170 I C 2.412 178.549 176.117 0.033 0.000 1.104 1170 I CA 1.408 62.714 61.300 0.010 0.000 1.397 1170 I CB -0.935 37.059 38.000 -0.011 0.000 1.072 1170 I HN 0.384 nan 8.210 nan 0.000 0.417 1171 Q N 0.195 120.016 119.800 0.035 0.000 2.152 1171 Q HA -0.111 4.230 4.340 0.002 0.000 0.206 1171 Q C 0.393 176.466 176.000 0.122 0.000 0.985 1171 Q CA 0.974 56.810 55.803 0.056 0.000 0.863 1171 Q CB -0.032 28.736 28.738 0.050 0.000 0.904 1171 Q HN 0.380 nan 8.270 nan 0.000 0.422 1172 L N 0.568 121.862 121.223 0.118 0.000 2.316 1172 L HA 0.313 4.655 4.340 0.002 0.000 0.280 1172 L C -0.157 176.824 176.870 0.186 0.000 1.006 1172 L CA -0.228 54.702 54.840 0.151 0.000 0.836 1172 L CB 1.229 43.325 42.059 0.062 0.000 1.221 1172 L HN 0.175 nan 8.230 nan 0.000 0.418 1173 H N 4.893 124.052 119.070 0.149 0.000 3.757 1173 H HA 0.081 4.639 4.556 0.002 0.000 0.214 1173 H C -0.561 174.897 175.328 0.216 0.000 1.275 1173 H CA 0.011 56.107 56.048 0.079 0.000 1.205 1173 H CB 0.634 30.393 29.762 -0.005 0.000 2.906 1173 H HN 0.696 nan 8.280 nan 0.000 0.550 1174 F N -0.689 119.233 119.950 -0.046 0.000 2.838 1174 F HA 0.472 5.001 4.527 0.002 0.000 0.329 1174 F C -0.394 175.363 175.800 -0.073 0.000 1.116 1174 F CA -0.487 57.492 58.000 -0.035 0.000 1.155 1174 F CB 0.502 39.507 39.000 0.008 0.000 1.106 1174 F HN -0.017 nan 8.300 nan 0.000 0.538 1175 S N 1.812 117.234 115.700 -0.464 0.000 2.525 1175 S HA 0.543 5.015 4.470 0.002 0.000 0.290 1175 S C -0.351 174.076 174.600 -0.288 0.000 1.152 1175 S CA -0.588 57.328 58.200 -0.473 0.000 1.072 1175 S CB 1.238 64.186 63.200 -0.420 0.000 1.027 1175 S HN 0.464 nan 8.310 nan 0.000 0.500 1188 Q N 0.553 120.283 119.800 -0.115 0.000 2.897 1188 Q HA 0.687 5.028 4.340 0.002 0.000 0.201 1188 Q C -0.510 175.444 176.000 -0.076 0.000 1.137 1188 Q CA 0.010 55.744 55.803 -0.116 0.000 0.620 1188 Q CB 0.754 29.373 28.738 -0.198 0.000 4.785 1188 Q HN 0.118 nan 8.270 nan 0.000 0.362 1189 S N -0.934 114.716 115.700 -0.083 0.000 2.556 1189 S HA 0.365 4.837 4.470 0.002 0.000 0.271 1189 S C -2.455 172.030 174.600 -0.191 0.000 1.135 1189 S CA -1.474 56.678 58.200 -0.079 0.000 0.858 1189 S CB 1.419 64.649 63.200 0.049 0.000 1.114 1189 S HN 0.346 nan 8.310 nan 0.000 0.468 1190 P HA 0.165 nan 4.420 nan 0.000 0.253 1190 P C -0.732 176.111 177.300 -0.760 0.000 1.260 1190 P CA 0.190 62.855 63.100 -0.726 0.000 0.800 1190 P CB -0.278 30.784 31.700 -1.063 0.000 1.162 1191 W N 1.038 122.253 121.300 -0.142 0.000 2.309 1191 W HA 0.403 5.065 4.660 0.003 0.000 0.332 1191 W C -0.072 176.433 176.519 -0.023 0.000 0.962 1191 W CA -1.140 56.178 57.345 -0.045 0.000 1.497 1191 W CB 0.798 30.264 29.460 0.010 0.000 1.308 1191 W HN -0.140 nan 8.180 nan 0.000 0.384 1192 L N 5.326 126.701 121.223 0.253 0.000 2.331 1192 L HA 0.419 4.760 4.340 0.002 0.000 0.278 1192 L C -0.433 176.555 176.870 0.198 0.000 1.106 1192 L CA -0.480 54.457 54.840 0.162 0.000 0.824 1192 L CB 0.534 42.653 42.059 0.099 0.000 1.142 1192 L HN 0.322 nan 8.230 nan 0.000 0.443 1193 L N 5.891 127.189 121.223 0.125 0.000 2.335 1193 L HA 0.469 4.810 4.340 0.002 0.000 0.268 1193 L C -0.362 176.562 176.870 0.090 0.000 1.037 1193 L CA -0.226 54.680 54.840 0.109 0.000 0.895 1193 L CB 0.373 42.466 42.059 0.057 0.000 1.266 1193 L HN 0.756 nan 8.230 nan 0.000 0.439 1194 R N 4.828 125.395 120.500 0.112 0.000 2.235 1194 R HA 0.504 4.846 4.340 0.002 0.000 0.338 1194 R C -1.234 175.106 176.300 0.066 0.000 1.087 1194 R CA -0.440 55.691 56.100 0.052 0.000 0.948 1194 R CB 0.247 30.517 30.300 -0.049 0.000 1.099 1194 R HN 0.715 nan 8.270 nan 0.000 0.483 1195 L N 3.185 124.441 121.223 0.054 0.000 2.350 1195 L HA 0.358 4.699 4.340 0.002 0.000 0.275 1195 L C 0.235 177.130 176.870 0.041 0.000 1.099 1195 L CA -0.201 54.670 54.840 0.051 0.000 0.808 1195 L CB 1.478 43.565 42.059 0.046 0.000 1.149 1195 L HN 0.617 nan 8.230 nan 0.000 0.442 1196 E N 3.026 123.249 120.200 0.039 0.000 2.183 1196 E HA 0.599 4.951 4.350 0.002 0.000 0.271 1196 E C -1.434 175.179 176.600 0.021 0.000 0.919 1196 E CA -0.611 55.807 56.400 0.030 0.000 0.781 1196 E CB 1.401 31.121 29.700 0.035 0.000 1.140 1196 E HN 0.440 nan 8.360 nan 0.000 0.402 1197 L N 2.567 123.799 121.223 0.014 0.000 2.330 1197 L HA 0.383 4.725 4.340 0.002 0.000 0.271 1197 L C -0.221 176.650 176.870 0.001 0.000 1.013 1197 L CA -1.151 53.691 54.840 0.003 0.000 0.816 1197 L CB 1.650 43.704 42.059 -0.008 0.000 1.287 1197 L HN 0.572 nan 8.230 nan 0.000 0.435 1198 D N 1.058 121.455 120.400 -0.004 0.000 2.348 1198 D HA 0.071 4.713 4.640 0.002 0.000 0.253 1198 D C 0.834 177.130 176.300 -0.007 0.000 1.161 1198 D CA 0.075 54.072 54.000 -0.005 0.000 0.876 1198 D CB 1.371 42.166 40.800 -0.008 0.000 1.160 1198 D HN 0.415 nan 8.370 nan 0.000 0.459 1199 R N 3.202 123.700 120.500 -0.003 0.000 2.090 1199 R HA -0.079 4.263 4.340 0.002 0.000 0.228 1199 R C 1.710 178.006 176.300 -0.006 0.000 1.110 1199 R CA 1.342 57.440 56.100 -0.003 0.000 0.973 1199 R CB -0.006 30.295 30.300 0.001 0.000 0.869 1199 R HN 0.496 nan 8.270 nan 0.000 0.440 1200 A N 0.682 123.499 122.820 -0.005 0.000 1.898 1200 A HA -0.013 4.309 4.320 0.002 0.000 0.216 1200 A C 2.204 179.784 177.584 -0.008 0.000 1.181 1200 A CA 1.424 53.458 52.037 -0.006 0.000 0.620 1200 A CB -0.595 18.401 19.000 -0.005 0.000 0.819 1200 A HN 0.475 nan 8.150 nan 0.000 0.442 1201 A N -1.130 121.683 122.820 -0.012 0.000 2.239 1201 A HA 0.132 4.453 4.320 0.002 0.000 0.209 1201 A C 1.805 179.378 177.584 -0.018 0.000 1.171 1201 A CA 1.089 53.116 52.037 -0.016 0.000 0.768 1201 A CB -0.394 18.593 19.000 -0.021 0.000 0.790 1201 A HN 0.443 nan 8.150 nan 0.000 0.478 1202 M N -0.135 119.454 119.600 -0.018 0.000 2.509 1202 M HA 0.065 4.547 4.480 0.002 0.000 0.250 1202 M C 0.630 176.919 176.300 -0.018 0.000 1.132 1202 M CA 0.516 55.802 55.300 -0.024 0.000 1.080 1202 M CB -0.717 31.866 32.600 -0.028 0.000 1.408 1202 M HN 0.398 nan 8.290 nan 0.000 0.484 1203 N N 0.452 119.146 118.700 -0.009 0.000 2.388 1203 N HA -0.059 4.682 4.740 0.002 0.000 0.176 1203 N C 1.203 176.717 175.510 0.007 0.000 1.062 1203 N CA 0.624 53.671 53.050 -0.004 0.000 0.895 1203 N CB -0.012 38.474 38.487 -0.002 0.000 1.018 1203 N HN 0.327 nan 8.380 nan 0.000 0.456 1204 D N 1.276 121.685 120.400 0.014 0.000 2.081 1204 D HA -0.052 4.589 4.640 0.002 0.000 0.194 1204 D C 0.161 176.493 176.300 0.053 0.000 0.986 1204 D CA 1.361 55.387 54.000 0.043 0.000 0.837 1204 D CB 0.256 41.072 40.800 0.027 0.000 0.985 1204 D HN 0.110 nan 8.370 nan 0.000 0.448 1205 K N 0.268 120.685 120.400 0.028 0.000 2.098 1205 K HA 0.259 4.581 4.320 0.002 0.000 0.257 1205 K C -0.971 175.622 176.600 -0.011 0.000 0.999 1205 K CA -0.533 55.765 56.287 0.018 0.000 0.924 1205 K CB 0.953 33.455 32.500 0.002 0.000 1.028 1205 K HN 0.047 nan 8.250 nan 0.000 0.466 1206 D N 2.362 122.748 120.400 -0.023 0.000 2.402 1206 D HA 0.212 4.853 4.640 0.002 0.000 0.235 1206 D C -0.834 175.438 176.300 -0.046 0.000 1.226 1206 D CA 0.202 54.181 54.000 -0.035 0.000 0.918 1206 D CB 0.072 40.847 40.800 -0.042 0.000 1.043 1206 D HN 0.129 nan 8.370 nan 0.000 0.506 1207 L N 1.831 123.025 121.223 -0.048 0.000 2.436 1207 L HA 0.487 4.828 4.340 0.002 0.000 0.268 1207 L C -0.179 176.649 176.870 -0.069 0.000 0.974 1207 L CA -0.781 54.020 54.840 -0.065 0.000 0.826 1207 L CB 2.337 44.355 42.059 -0.068 0.000 1.291 1207 L HN 0.250 nan 8.230 nan 0.000 0.406 1208 T N -1.116 113.384 114.554 -0.090 0.000 2.856 1208 T HA 0.370 4.721 4.350 0.002 0.000 0.283 1208 T C 1.168 175.767 174.700 -0.168 0.000 1.008 1208 T CA -0.923 61.118 62.100 -0.099 0.000 0.997 1208 T CB 1.964 70.783 68.868 -0.082 0.000 0.992 1208 T HN 0.367 nan 8.240 nan 0.000 0.454 1209 M N 1.976 121.471 119.600 -0.174 0.000 2.088 1209 M HA -0.104 4.378 4.480 0.002 0.000 0.256 1209 M C 2.592 178.517 176.300 -0.626 0.000 1.071 1209 M CA 2.469 57.586 55.300 -0.305 0.000 1.097 1209 M CB -1.938 30.550 32.600 -0.187 0.000 1.315 1209 M HN 1.005 nan 8.290 nan 0.000 0.406 1210 G N -0.620 107.852 108.800 -0.547 0.000 2.553 1210 G HA2 -0.321 3.640 3.960 0.002 0.000 0.218 1210 G HA3 -0.321 3.640 3.960 0.002 0.000 0.218 1210 G C 1.426 176.015 174.900 -0.518 0.000 1.195 1210 G CA 1.287 46.029 45.100 -0.598 0.000 0.779 1210 G HN 0.598 nan 8.290 nan 0.000 0.577 1211 Q N -0.336 119.288 119.800 -0.293 0.000 2.197 1211 Q HA -0.114 4.227 4.340 0.002 0.000 0.207 1211 Q C 2.774 178.624 176.000 -0.250 0.000 0.984 1211 Q CA 1.499 57.174 55.803 -0.212 0.000 0.869 1211 Q CB -0.122 28.531 28.738 -0.141 0.000 0.906 1211 Q HN 0.412 nan 8.270 nan 0.000 0.426 1212 V N -0.354 119.369 119.914 -0.318 0.000 2.244 1212 V HA -0.193 3.928 4.120 0.002 0.000 0.244 1212 V C 2.254 178.139 176.094 -0.348 0.000 1.042 1212 V CA 1.897 64.027 62.300 -0.282 0.000 1.006 1212 V CB -1.314 30.354 31.823 -0.258 0.000 0.641 1212 V HN 0.595 nan 8.190 nan 0.000 0.446 1213 G N -0.248 108.142 108.800 -0.682 0.000 2.545 1213 G HA2 -0.282 3.680 3.960 0.002 0.000 0.217 1213 G HA3 -0.282 3.680 3.960 0.002 0.000 0.217 1213 G C 1.439 176.120 174.900 -0.365 0.000 1.218 1213 G CA 0.959 45.569 45.100 -0.817 0.000 0.787 1213 G HN 0.470 nan 8.290 nan 0.000 0.571 1214 E N 0.157 120.135 120.200 -0.370 0.000 2.187 1214 E HA -0.183 4.169 4.350 0.002 0.000 0.199 1214 E C 2.590 179.168 176.600 -0.036 0.000 1.004 1214 E CA 1.029 57.393 56.400 -0.060 0.000 0.813 1214 E CB -0.166 29.512 29.700 -0.035 0.000 0.736 1214 E HN 0.255 nan 8.360 nan 0.000 0.468 1215 R N 0.726 121.173 120.500 -0.089 0.000 2.075 1215 R HA -0.035 4.307 4.340 0.002 0.000 0.232 1215 R C 2.312 178.601 176.300 -0.017 0.000 1.126 1215 R CA 0.851 56.918 56.100 -0.056 0.000 0.963 1215 R CB -0.499 29.754 30.300 -0.079 0.000 0.858 1215 R HN 0.162 nan 8.270 nan 0.000 0.435 1216 I N 0.227 120.803 120.570 0.009 0.000 2.179 1216 I HA -0.278 3.893 4.170 0.002 0.000 0.242 1216 I C 2.358 178.594 176.117 0.198 0.000 1.088 1216 I CA 1.446 62.815 61.300 0.116 0.000 1.357 1216 I CB -0.330 37.757 38.000 0.145 0.000 1.051 1216 I HN 0.140 nan 8.210 nan 0.000 0.409 1217 K N 0.670 121.168 120.400 0.163 0.000 2.044 1217 K HA -0.266 4.056 4.320 0.002 0.000 0.210 1217 K C 2.236 178.921 176.600 0.141 0.000 1.049 1217 K CA 1.706 58.100 56.287 0.179 0.000 0.927 1217 K CB -0.089 32.513 32.500 0.171 0.000 0.713 1217 K HN 0.319 nan 8.250 nan 0.000 0.443 1218 Q N -0.736 119.110 119.800 0.076 0.000 2.181 1218 Q HA -0.138 4.203 4.340 0.002 0.000 0.205 1218 Q C 1.813 177.812 176.000 -0.002 0.000 0.980 1218 Q CA 1.941 57.764 55.803 0.033 0.000 0.862 1218 Q CB 0.104 28.845 28.738 0.004 0.000 0.905 1218 Q HN 0.383 nan 8.270 nan 0.000 0.429 1219 T N -0.269 114.255 114.554 -0.050 0.000 2.809 1219 T HA -0.051 4.300 4.350 0.002 0.000 0.260 1219 T C 1.290 175.830 174.700 -0.267 0.000 1.039 1219 T CA 1.037 63.003 62.100 -0.224 0.000 1.141 1219 T CB -0.223 68.388 68.868 -0.427 0.000 0.869 1219 T HN 0.191 nan 8.240 nan 0.000 0.437 1220 F N 0.742 120.708 119.950 0.026 0.000 2.219 1220 F HA 0.262 4.790 4.527 0.003 0.000 0.294 1220 F C 1.874 177.694 175.800 0.034 0.000 1.086 1220 F CA 0.479 58.497 58.000 0.031 0.000 1.330 1220 F CB -0.084 38.938 39.000 0.037 0.000 1.047 1220 F HN 0.051 nan 8.300 nan 0.000 0.495 1221 K N -0.191 120.339 120.400 0.217 0.000 9.948 1221 K HA -0.340 3.981 4.320 0.002 0.000 0.445 1221 K C -0.137 176.546 176.600 0.140 0.000 0.795 1221 K CA 1.770 58.140 56.287 0.138 0.000 1.625 1221 K CB -1.621 30.935 32.500 0.093 0.000 0.736 1221 K HN 0.279 nan 8.250 nan 0.000 1.086 1222 N N 1.436 120.212 118.700 0.126 0.000 2.467 1222 N HA 0.134 4.876 4.740 0.002 0.000 0.278 1222 N C -1.194 174.379 175.510 0.105 0.000 1.306 1222 N CA 0.354 53.470 53.050 0.109 0.000 0.905 1222 N CB 0.629 39.168 38.487 0.086 0.000 1.236 1222 N HN 0.307 nan 8.380 nan 0.000 0.509 1223 D N 0.372 120.843 120.400 0.119 0.000 2.865 1223 D HA 0.136 4.777 4.640 0.002 0.000 0.347 1223 D C -0.517 175.790 176.300 0.011 0.000 1.498 1223 D CA -0.216 53.832 54.000 0.080 0.000 0.787 1223 D CB 0.427 41.282 40.800 0.092 0.000 1.190 1223 D HN 0.013 nan 8.370 nan 0.000 0.445 1224 L N 0.854 122.099 121.223 0.037 0.000 2.845 1224 L HA 0.328 4.670 4.340 0.002 0.000 0.253 1224 L C -1.842 175.069 176.870 0.069 0.000 0.959 1224 L CA -0.610 54.216 54.840 -0.023 0.000 1.001 1224 L CB 1.671 43.595 42.059 -0.224 0.000 1.374 1224 L HN -0.056 nan 8.230 nan 0.000 0.469 1225 F N 5.460 125.381 119.950 -0.050 0.000 2.506 1225 F HA 0.595 5.123 4.527 0.003 0.000 0.371 1225 F C -0.337 175.415 175.800 -0.080 0.000 1.078 1225 F CA 0.183 58.146 58.000 -0.062 0.000 1.195 1225 F CB 0.645 39.598 39.000 -0.077 0.000 1.099 1225 F HN 0.179 nan 8.300 nan 0.000 0.548 1226 V N 7.799 127.376 119.914 -0.560 0.000 2.540 1226 V HA 0.523 4.645 4.120 0.002 0.000 0.302 1226 V C -0.050 175.612 176.094 -0.720 0.000 1.035 1226 V CA -0.840 61.257 62.300 -0.338 0.000 0.873 1226 V CB 1.668 33.513 31.823 0.037 0.000 0.992 1226 V HN 0.602 nan 8.190 nan 0.000 0.428 1227 I N 3.236 123.526 120.570 -0.466 0.000 3.002 1227 I HA 0.826 4.997 4.170 0.002 0.000 0.310 1227 I C -1.151 174.854 176.117 -0.186 0.000 1.087 1227 I CA -0.569 60.330 61.300 -0.669 0.000 1.017 1227 I CB 2.473 40.231 38.000 -0.404 0.000 1.226 1227 I HN 0.875 nan 8.210 nan 0.000 0.443 1228 W N 0.834 122.094 121.300 -0.067 0.000 3.298 1228 W HA 0.650 5.311 4.660 0.003 0.000 0.302 1228 W C -1.471 175.049 176.519 0.002 0.000 1.255 1228 W CA -0.859 56.470 57.345 -0.028 0.000 1.196 1228 W CB -0.115 29.329 29.460 -0.025 0.000 1.364 1228 W HN 0.273 nan 8.180 nan 0.000 0.566 1229 S N 1.196 117.061 115.700 0.275 0.000 2.584 1229 S HA 0.162 4.634 4.470 0.002 0.000 0.270 1229 S C 0.072 174.824 174.600 0.254 0.000 1.346 1229 S CA -0.576 57.734 58.200 0.183 0.000 1.018 1229 S CB 0.627 63.894 63.200 0.113 0.000 0.899 1229 S HN 0.497 nan 8.310 nan 0.000 0.542 1230 E N 0.239 120.538 120.200 0.166 0.000 2.371 1230 E HA 0.062 4.413 4.350 0.002 0.000 0.257 1230 E C 0.136 176.790 176.600 0.090 0.000 1.134 1230 E CA -0.459 56.028 56.400 0.146 0.000 0.919 1230 E CB 0.415 30.174 29.700 0.099 0.000 1.025 1230 E HN 0.487 nan 8.360 nan 0.000 0.438 1231 D N 0.615 121.052 120.400 0.061 0.000 2.144 1231 D HA -0.116 4.526 4.640 0.002 0.000 0.200 1231 D C 0.831 177.145 176.300 0.025 0.000 0.978 1231 D CA 0.978 54.995 54.000 0.029 0.000 0.833 1231 D CB -0.075 40.731 40.800 0.010 0.000 0.961 1231 D HN 0.265 nan 8.370 nan 0.000 0.470 1232 N N 0.940 119.657 118.700 0.028 0.000 2.571 1232 N HA -0.019 4.723 4.740 0.002 0.000 0.189 1232 N C -0.321 175.202 175.510 0.022 0.000 1.154 1232 N CA 0.360 53.423 53.050 0.021 0.000 0.907 1232 N CB -0.088 38.411 38.487 0.019 0.000 0.977 1232 N HN 0.231 nan 8.380 nan 0.000 0.449 1233 D N -0.223 120.194 120.400 0.029 0.000 2.371 1233 D HA 0.020 4.661 4.640 0.002 0.000 0.242 1233 D C 1.157 177.469 176.300 0.021 0.000 1.218 1233 D CA -0.005 54.011 54.000 0.027 0.000 0.945 1233 D CB 0.932 41.753 40.800 0.036 0.000 1.137 1233 D HN 0.056 nan 8.370 nan 0.000 0.464 1234 E N -0.505 119.706 120.200 0.019 0.000 2.250 1234 E HA 0.005 4.357 4.350 0.002 0.000 0.192 1234 E C -0.086 176.524 176.600 0.016 0.000 0.986 1234 E CA 0.428 56.837 56.400 0.015 0.000 0.849 1234 E CB 0.401 30.108 29.700 0.013 0.000 0.797 1234 E HN 0.123 nan 8.360 nan 0.000 0.482 1235 K N 0.691 121.103 120.400 0.019 0.000 2.345 1235 K HA 0.391 4.712 4.320 0.002 0.000 0.255 1235 K C -1.337 175.279 176.600 0.027 0.000 0.934 1235 K CA -0.435 55.864 56.287 0.020 0.000 0.801 1235 K CB 1.311 33.822 32.500 0.017 0.000 1.137 1235 K HN -0.048 nan 8.250 nan 0.000 0.424 1236 L N 5.957 127.195 121.223 0.026 0.000 2.287 1236 L HA 0.588 4.930 4.340 0.002 0.000 0.287 1236 L C -0.632 176.261 176.870 0.038 0.000 1.022 1236 L CA -0.833 54.028 54.840 0.035 0.000 0.814 1236 L CB 0.819 42.890 42.059 0.021 0.000 1.217 1236 L HN 0.496 nan 8.230 nan 0.000 0.420 1237 I N 3.869 124.475 120.570 0.061 0.000 2.656 1237 I HA 0.477 4.648 4.170 0.002 0.000 0.292 1237 I C -0.657 175.523 176.117 0.104 0.000 1.144 1237 I CA -0.489 60.846 61.300 0.059 0.000 1.038 1237 I CB 2.736 40.757 38.000 0.035 0.000 1.244 1237 I HN 0.345 nan 8.210 nan 0.000 0.420 1238 I N 4.417 125.040 120.570 0.089 0.000 2.441 1238 I HA 0.544 4.715 4.170 0.002 0.000 0.295 1238 I C -0.331 175.833 176.117 0.078 0.000 0.994 1238 I CA -0.680 60.696 61.300 0.128 0.000 1.144 1238 I CB 1.819 39.883 38.000 0.107 0.000 1.314 1238 I HN 0.578 nan 8.210 nan 0.000 0.445 1239 R N 4.413 124.955 120.500 0.069 0.000 2.513 1239 R HA 0.698 5.039 4.340 0.002 0.000 0.301 1239 R C -1.539 174.782 176.300 0.034 0.000 0.968 1239 R CA -0.467 55.651 56.100 0.030 0.000 0.872 1239 R CB 2.057 32.357 30.300 0.001 0.000 1.177 1239 R HN 0.624 nan 8.270 nan 0.000 0.444 1240 C N 2.166 121.492 119.300 0.042 0.000 2.551 1240 C HA 0.566 5.027 4.460 0.002 0.000 0.332 1240 C C -0.184 174.833 174.990 0.045 0.000 1.139 1240 C CA -1.121 57.918 59.018 0.035 0.000 1.328 1240 C CB 1.534 29.276 27.740 0.003 0.000 1.903 1240 C HN 0.838 nan 8.230 nan 0.000 0.459 1241 R N 1.357 121.897 120.500 0.067 0.000 2.854 1241 R HA 0.834 5.175 4.340 0.002 0.000 0.271 1241 R C -0.444 175.876 176.300 0.033 0.000 0.996 1241 R CA -0.600 55.536 56.100 0.059 0.000 0.961 1241 R CB 1.747 32.075 30.300 0.047 0.000 1.182 1241 R HN 0.557 nan 8.270 nan 0.000 0.479 1242 V N 0.884 120.816 119.914 0.031 0.000 3.596 1242 V HA 0.353 4.475 4.120 0.002 0.000 0.288 1242 V C 0.396 176.503 176.094 0.022 0.000 1.021 1242 V CA -0.499 61.807 62.300 0.011 0.000 1.020 1242 V CB 1.160 33.000 31.823 0.027 0.000 1.243 1242 V HN 0.405 nan 8.190 nan 0.000 0.433 1255 E N -0.028 120.217 120.200 0.074 0.000 2.260 1255 E HA -0.187 4.165 4.350 0.002 0.000 0.204 1255 E C 0.136 176.772 176.600 0.060 0.000 1.319 1255 E CA 0.848 57.279 56.400 0.053 0.000 0.679 1255 E CB -1.164 28.557 29.700 0.034 0.000 1.158 1255 E HN 0.664 nan 8.360 nan 0.000 0.376 1256 E N -0.118 120.108 120.200 0.044 0.000 2.434 1256 E HA -0.037 4.315 4.350 0.002 0.000 0.207 1256 E C 0.625 177.079 176.600 -0.244 0.000 0.929 1256 E CA 0.382 56.777 56.400 -0.008 0.000 1.001 1256 E CB 0.387 30.184 29.700 0.163 0.000 1.016 1256 E HN 0.290 nan 8.360 nan 0.000 0.502 1257 D N -0.464 119.699 120.400 -0.395 0.000 2.219 1257 D HA -0.134 4.507 4.640 0.002 0.000 0.205 1257 D C 1.555 177.714 176.300 -0.235 0.000 0.970 1257 D CA 0.922 54.590 54.000 -0.553 0.000 0.851 1257 D CB -0.059 40.400 40.800 -0.569 0.000 0.943 1257 D HN 0.203 nan 8.370 nan 0.000 0.488 1258 H N -0.105 118.850 119.070 -0.192 0.000 2.307 1258 H HA 0.162 4.720 4.556 0.002 0.000 0.303 1258 H C 1.639 176.914 175.328 -0.088 0.000 1.073 1258 H CA 1.113 57.093 56.048 -0.114 0.000 1.338 1258 H CB -0.001 29.718 29.762 -0.072 0.000 1.389 1258 H HN -0.023 nan 8.280 nan 0.000 0.503 1259 M N -0.026 119.533 119.600 -0.069 0.000 2.618 1259 M HA -0.001 4.480 4.480 0.002 0.000 0.240 1259 M C 0.933 177.176 176.300 -0.095 0.000 1.123 1259 M CA 0.250 55.496 55.300 -0.091 0.000 1.060 1259 M CB 0.179 32.780 32.600 0.001 0.000 1.535 1259 M HN 0.328 nan 8.290 nan 0.000 0.507 1260 L N -0.112 121.035 121.223 -0.128 0.000 2.446 1260 L HA -0.024 4.318 4.340 0.002 0.000 0.219 1260 L C 1.944 178.750 176.870 -0.106 0.000 1.116 1260 L CA 1.409 56.183 54.840 -0.109 0.000 0.844 1260 L CB -0.244 41.740 42.059 -0.125 0.000 0.970 1260 L HN 0.068 nan 8.230 nan 0.000 0.457 1261 K N -0.713 119.597 120.400 -0.150 0.000 2.186 1261 K HA -0.080 4.241 4.320 0.002 0.000 0.202 1261 K C 1.785 178.313 176.600 -0.120 0.000 1.052 1261 K CA 0.624 56.829 56.287 -0.137 0.000 0.965 1261 K CB 0.189 32.587 32.500 -0.170 0.000 0.746 1261 K HN 0.079 nan 8.250 nan 0.000 0.457 1262 K N 0.824 121.134 120.400 -0.151 0.000 2.439 1262 K HA 0.053 4.375 4.320 0.002 0.000 0.197 1262 K C 1.596 178.194 176.600 -0.002 0.000 1.041 1262 K CA 0.457 56.691 56.287 -0.087 0.000 0.970 1262 K CB 0.151 32.591 32.500 -0.100 0.000 0.773 1262 K HN 0.083 nan 8.250 nan 0.000 0.479 1263 I N -0.077 120.496 120.570 0.005 0.000 2.585 1263 I HA -0.155 4.017 4.170 0.002 0.000 0.254 1263 I C 2.038 178.207 176.117 0.088 0.000 1.129 1263 I CA 0.639 61.988 61.300 0.080 0.000 1.455 1263 I CB 0.017 38.010 38.000 -0.011 0.000 1.111 1263 I HN 0.161 nan 8.210 nan 0.000 0.433 1264 E N 1.141 121.357 120.200 0.026 0.000 2.153 1264 E HA -0.228 4.123 4.350 0.002 0.000 0.194 1264 E C 1.756 178.377 176.600 0.034 0.000 0.988 1264 E CA 1.478 57.897 56.400 0.031 0.000 0.811 1264 E CB -0.234 29.469 29.700 0.006 0.000 0.746 1264 E HN 0.319 nan 8.360 nan 0.000 0.466 1265 N N 0.107 118.819 118.700 0.020 0.000 2.080 1265 N HA -0.086 4.655 4.740 0.002 0.000 0.189 1265 N C 1.723 177.255 175.510 0.036 0.000 1.036 1265 N CA 2.089 55.150 53.050 0.018 0.000 0.846 1265 N CB -0.741 37.747 38.487 0.001 0.000 1.015 1265 N HN 0.280 nan 8.380 nan 0.000 0.423 1266 T N 1.841 116.428 114.554 0.055 0.000 2.720 1266 T HA -0.079 4.272 4.350 0.002 0.000 0.268 1266 T C 2.048 176.792 174.700 0.074 0.000 1.037 1266 T CA 0.935 63.072 62.100 0.062 0.000 1.144 1266 T CB -0.100 68.822 68.868 0.090 0.000 0.864 1266 T HN 0.204 nan 8.240 nan 0.000 0.444 1267 M N 0.322 119.999 119.600 0.128 0.000 2.108 1267 M HA -0.047 4.434 4.480 0.002 0.000 0.261 1267 M C 2.209 178.547 176.300 0.063 0.000 1.066 1267 M CA 1.585 56.962 55.300 0.129 0.000 1.107 1267 M CB -0.492 32.200 32.600 0.154 0.000 1.356 1267 M HN 0.265 nan 8.290 nan 0.000 0.406 1268 L N -0.992 120.259 121.223 0.047 0.000 2.044 1268 L HA -0.128 4.214 4.340 0.002 0.000 0.205 1268 L C 0.646 177.530 176.870 0.023 0.000 1.075 1268 L CA 1.203 56.059 54.840 0.027 0.000 0.747 1268 L CB -0.288 41.784 42.059 0.023 0.000 0.903 1268 L HN 0.252 nan 8.230 nan 0.000 0.435 1269 E N 0.001 120.217 120.200 0.027 0.000 3.269 1269 E HA 0.152 4.504 4.350 0.002 0.000 0.221 1269 E C -0.177 176.439 176.600 0.027 0.000 1.113 1269 E CA -0.103 56.316 56.400 0.030 0.000 1.385 1269 E CB 0.394 30.110 29.700 0.026 0.000 1.345 1269 E HN 0.217 nan 8.360 nan 0.000 0.435 1270 N N 0.149 118.862 118.700 0.021 0.000 1.842 1270 N HA 0.038 4.780 4.740 0.002 0.000 0.226 1270 N C -0.550 174.956 175.510 -0.006 0.000 1.431 1270 N CA -0.038 53.016 53.050 0.005 0.000 0.722 1270 N CB 0.922 39.397 38.487 -0.020 0.000 1.040 1270 N HN 0.154 nan 8.380 nan 0.000 0.534 1271 I N 2.664 123.230 120.570 -0.006 0.000 2.293 1271 I HA 0.105 4.277 4.170 0.002 0.000 0.299 1271 I C 0.331 176.436 176.117 -0.020 0.000 1.153 1271 I CA 0.449 61.733 61.300 -0.026 0.000 1.302 1271 I CB -0.554 37.432 38.000 -0.023 0.000 1.460 1271 I HN -0.196 nan 8.210 nan 0.000 0.552 1272 T N 7.558 122.116 114.554 0.007 0.000 2.754 1272 T HA 0.029 4.381 4.350 0.002 0.000 0.282 1272 T C 1.240 175.911 174.700 -0.048 0.000 0.923 1272 T CA -0.033 62.084 62.100 0.028 0.000 1.164 1272 T CB 0.379 69.303 68.868 0.093 0.000 0.873 1272 T HN 0.390 nan 8.240 nan 0.000 0.537 1273 L N 4.911 126.066 121.223 -0.114 0.000 2.558 1273 L HA 0.286 4.628 4.340 0.002 0.000 0.225 1273 L C 0.935 177.749 176.870 -0.093 0.000 1.128 1273 L CA 0.646 55.422 54.840 -0.107 0.000 0.868 1273 L CB -0.311 41.672 42.059 -0.127 0.000 1.006 1273 L HN 0.789 nan 8.230 nan 0.000 0.454 1274 R N -3.451 117.001 120.500 -0.080 0.000 4.476 1274 R HA 0.395 4.737 4.340 0.002 0.000 0.257 1274 R C -0.225 176.066 176.300 -0.016 0.000 0.946 1274 R CA -0.460 55.612 56.100 -0.046 0.000 1.058 1274 R CB -0.958 29.308 30.300 -0.056 0.000 1.306 1274 R HN 0.309 nan 8.270 nan 0.000 0.603 1275 G N 0.181 108.988 108.800 0.012 0.000 2.725 1275 G HA2 -0.020 3.942 3.960 0.002 0.000 0.220 1275 G HA3 -0.020 3.942 3.960 0.002 0.000 0.220 1275 G C -0.918 174.038 174.900 0.094 0.000 1.357 1275 G CA -0.435 44.692 45.100 0.044 0.000 0.866 1275 G HN 1.133 nan 8.290 nan 0.000 0.548 1276 V N 0.791 120.762 119.914 0.095 0.000 2.532 1276 V HA 0.619 4.740 4.120 0.002 0.000 0.295 1276 V C 0.607 176.730 176.094 0.048 0.000 1.041 1276 V CA 0.108 62.444 62.300 0.061 0.000 0.926 1276 V CB 1.391 33.222 31.823 0.013 0.000 0.992 1276 V HN 1.208 nan 8.190 nan 0.000 0.457 1277 E N 3.542 123.681 120.200 -0.102 0.000 2.369 1277 E HA 0.336 4.687 4.350 0.002 0.000 0.255 1277 E C 0.552 176.985 176.600 -0.278 0.000 1.172 1277 E CA -0.174 55.934 56.400 -0.487 0.000 0.932 1277 E CB 0.198 29.593 29.700 -0.509 0.000 1.040 1277 E HN 0.553 nan 8.360 nan 0.000 0.454 1278 N N -1.521 116.992 118.700 -0.311 0.000 1.910 1278 N HA -0.208 4.533 4.740 0.002 0.000 0.214 1278 N C -0.305 175.152 175.510 -0.089 0.000 1.113 1278 N CA 1.560 54.518 53.050 -0.154 0.000 3.595 1278 N CB -1.409 37.015 38.487 -0.105 0.000 0.733 1278 N HN 0.496 nan 8.380 nan 0.000 0.352 1279 I N 3.184 123.718 120.570 -0.061 0.000 2.742 1279 I HA -0.046 4.125 4.170 0.002 0.000 0.287 1279 I C 1.393 177.534 176.117 0.041 0.000 1.186 1279 I CA 0.978 62.278 61.300 -0.001 0.000 1.417 1279 I CB 0.319 38.330 38.000 0.019 0.000 1.377 1279 I HN 0.189 nan 8.210 nan 0.000 0.556 1280 E N 5.371 125.594 120.200 0.038 0.000 3.281 1280 E HA 0.341 4.693 4.350 0.002 0.000 0.467 1280 E C 0.055 176.693 176.600 0.064 0.000 0.293 1280 E CA -0.270 56.163 56.400 0.054 0.000 2.729 1280 E CB 0.206 29.926 29.700 0.034 0.000 2.276 1280 E HN 0.540 nan 8.360 nan 0.000 0.424 1281 R N -0.213 120.318 120.500 0.051 0.000 2.679 1281 R HA 0.380 4.721 4.340 0.002 0.000 0.268 1281 R C -0.944 175.419 176.300 0.104 0.000 1.044 1281 R CA -0.278 55.866 56.100 0.073 0.000 1.105 1281 R CB 0.264 30.580 30.300 0.028 0.000 0.989 1281 R HN 0.041 nan 8.270 nan 0.000 0.447 1282 V N 3.148 123.163 119.914 0.169 0.000 2.569 1282 V HA 0.300 4.422 4.120 0.002 0.000 0.301 1282 V C -0.725 175.439 176.094 0.117 0.000 1.044 1282 V CA -0.880 61.486 62.300 0.111 0.000 0.874 1282 V CB 1.991 33.854 31.823 0.065 0.000 1.002 1282 V HN 0.632 nan 8.190 nan 0.000 0.424 1283 V N 5.751 125.722 119.914 0.096 0.000 2.513 1283 V HA 0.493 4.614 4.120 0.002 0.000 0.299 1283 V C 0.085 176.232 176.094 0.087 0.000 1.035 1283 V CA -0.585 61.777 62.300 0.103 0.000 0.889 1283 V CB 1.934 33.835 31.823 0.130 0.000 0.988 1283 V HN 0.857 nan 8.190 nan 0.000 0.440 1284 M N 5.266 124.923 119.600 0.095 0.000 2.162 1284 M HA 0.479 4.961 4.480 0.002 0.000 0.356 1284 M C -0.442 176.056 176.300 0.330 0.000 1.303 1284 M CA 0.328 55.749 55.300 0.201 0.000 1.116 1284 M CB 0.873 33.573 32.600 0.167 0.000 1.632 1284 M HN 0.605 nan 8.290 nan 0.000 0.469 1285 M N 2.823 122.612 119.600 0.315 0.000 2.530 1285 M HA 0.343 4.824 4.480 0.002 0.000 0.307 1285 M C -0.615 175.779 176.300 0.156 0.000 1.161 1285 M CA -0.386 55.069 55.300 0.258 0.000 0.903 1285 M CB 1.935 34.715 32.600 0.300 0.000 1.711 1285 M HN 0.445 nan 8.290 nan 0.000 0.451 1286 K N 3.409 123.746 120.400 -0.105 0.000 2.265 1286 K HA 0.232 4.554 4.320 0.002 0.000 0.242 1286 K C -1.455 175.110 176.600 -0.058 0.000 1.137 1286 K CA -0.150 55.901 56.287 -0.395 0.000 1.082 1286 K CB -0.018 32.052 32.500 -0.717 0.000 1.731 1286 K HN 0.704 nan 8.250 nan 0.000 0.392 1287 Y N 1.834 122.061 120.300 -0.123 0.000 2.578 1287 Y HA -0.103 4.448 4.550 0.003 0.000 0.339 1287 Y C 0.974 176.844 175.900 -0.049 0.000 1.231 1287 Y CA -0.339 57.739 58.100 -0.036 0.000 1.461 1287 Y CB 0.570 39.067 38.460 0.062 0.000 1.323 1287 Y HN 0.482 nan 8.280 nan 0.000 0.590 1288 D N 3.754 124.187 120.400 0.055 0.000 2.313 1288 D HA 0.297 4.938 4.640 0.002 0.000 0.247 1288 D C -0.384 175.962 176.300 0.077 0.000 1.094 1288 D CA -0.178 53.839 54.000 0.027 0.000 0.925 1288 D CB 1.551 42.341 40.800 -0.017 0.000 1.188 1288 D HN 0.450 nan 8.370 nan 0.000 0.430 1289 R N 0.665 121.199 120.500 0.057 0.000 2.522 1289 R HA 0.159 4.501 4.340 0.002 0.000 0.273 1289 R C -1.120 175.218 176.300 0.064 0.000 1.133 1289 R CA -0.628 55.512 56.100 0.067 0.000 0.969 1289 R CB 1.775 32.115 30.300 0.067 0.000 1.235 1289 R HN 0.276 nan 8.270 nan 0.000 0.433 1290 K N 2.585 123.038 120.400 0.088 0.000 2.201 1290 K HA 0.518 4.839 4.320 0.002 0.000 0.278 1290 K C -1.077 175.637 176.600 0.191 0.000 1.027 1290 K CA -0.468 55.906 56.287 0.145 0.000 0.909 1290 K CB 1.842 34.435 32.500 0.156 0.000 1.062 1290 K HN 0.195 nan 8.250 nan 0.000 0.465 1291 V N 5.050 125.046 119.914 0.136 0.000 3.048 1291 V HA 0.234 4.356 4.120 0.002 0.000 0.303 1291 V C -2.490 173.472 176.094 -0.220 0.000 1.214 1291 V CA -2.185 60.109 62.300 -0.009 0.000 0.984 1291 V CB 2.399 34.208 31.823 -0.024 0.000 1.054 1291 V HN 0.664 nan 8.190 nan 0.000 0.430 1292 P HA 0.030 nan 4.420 nan 0.000 0.261 1292 P C -0.536 176.617 177.300 -0.245 0.000 1.173 1292 P CA 0.758 63.556 63.100 -0.504 0.000 0.760 1292 P CB 0.386 31.832 31.700 -0.423 0.000 0.783 1293 S N 4.620 120.204 115.700 -0.194 0.000 2.616 1293 S HA 0.382 4.853 4.470 0.002 0.000 0.277 1293 S C -1.197 173.341 174.600 -0.102 0.000 1.234 1293 S CA -1.847 56.287 58.200 -0.109 0.000 1.028 1293 S CB 0.064 63.224 63.200 -0.066 0.000 0.988 1293 S HN 0.236 nan 8.310 nan 0.000 0.522 1294 P HA -0.207 nan 4.420 nan 0.000 0.216 1294 P C 1.571 178.835 177.300 -0.060 0.000 1.167 1294 P CA 2.616 65.678 63.100 -0.064 0.000 0.914 1294 P CB -1.051 30.621 31.700 -0.045 0.000 0.793 1295 T N -3.888 110.640 114.554 -0.044 0.000 2.721 1295 T HA -0.063 4.289 4.350 0.002 0.000 0.268 1295 T C 1.804 176.482 174.700 -0.037 0.000 1.038 1295 T CA 2.091 64.173 62.100 -0.030 0.000 1.145 1295 T CB -1.062 67.798 68.868 -0.013 0.000 0.858 1295 T HN 0.414 nan 8.240 nan 0.000 0.459 1296 G N 0.544 109.309 108.800 -0.058 0.000 3.006 1296 G HA2 -0.087 3.874 3.960 0.002 0.000 0.195 1296 G HA3 -0.087 3.874 3.960 0.002 0.000 0.195 1296 G C -0.123 174.738 174.900 -0.065 0.000 1.034 1296 G CA -0.154 44.903 45.100 -0.072 0.000 0.807 1296 G HN 0.589 nan 8.290 nan 0.000 0.469 1297 E N -0.015 120.176 120.200 -0.015 0.000 2.455 1297 E HA 0.443 4.794 4.350 0.002 0.000 0.259 1297 E C -0.698 175.902 176.600 0.000 0.000 1.245 1297 E CA 0.100 56.530 56.400 0.050 0.000 1.013 1297 E CB 0.348 30.082 29.700 0.056 0.000 0.978 1297 E HN 0.355 nan 8.360 nan 0.000 0.479 1298 Y N -0.166 120.136 120.300 0.002 0.000 2.353 1298 Y HA 0.362 4.914 4.550 0.003 0.000 0.340 1298 Y C -0.373 175.526 175.900 -0.001 0.000 0.972 1298 Y CA -0.609 57.491 58.100 0.000 0.000 1.157 1298 Y CB 0.824 39.287 38.460 0.006 0.000 1.157 1298 Y HN 0.131 nan 8.280 nan 0.000 0.495 1299 V N 2.817 122.780 119.914 0.083 0.000 2.919 1299 V HA 0.403 4.524 4.120 0.002 0.000 0.316 1299 V C -0.383 175.743 176.094 0.054 0.000 1.077 1299 V CA -1.933 60.402 62.300 0.058 0.000 0.977 1299 V CB 1.892 33.729 31.823 0.023 0.000 1.039 1299 V HN 0.514 nan 8.190 nan 0.000 0.441 1300 K N 2.377 122.801 120.400 0.040 0.000 2.402 1300 K HA 0.197 4.518 4.320 0.002 0.000 0.285 1300 K C -0.107 176.504 176.600 0.018 0.000 1.054 1300 K CA 0.213 56.518 56.287 0.030 0.000 1.001 1300 K CB 0.549 33.059 32.500 0.016 0.000 0.946 1300 K HN 0.749 nan 8.250 nan 0.000 0.473 1301 E N 5.696 125.908 120.200 0.021 0.000 2.129 1301 E HA 0.251 4.603 4.350 0.002 0.000 0.268 1301 E C -2.505 174.103 176.600 0.012 0.000 0.900 1301 E CA -2.451 53.958 56.400 0.015 0.000 0.755 1301 E CB 1.169 30.878 29.700 0.015 0.000 1.117 1301 E HN 0.198 nan 8.360 nan 0.000 0.410 1302 P HA 0.186 nan 4.420 nan 0.000 0.286 1302 P C -1.216 176.058 177.300 -0.043 0.000 1.269 1302 P CA -0.144 62.929 63.100 -0.045 0.000 0.787 1302 P CB 0.887 32.533 31.700 -0.090 0.000 0.920 1303 E N 2.740 122.923 120.200 -0.030 0.000 2.191 1303 E HA 0.233 4.584 4.350 0.002 0.000 0.263 1303 E C -1.114 175.507 176.600 0.035 0.000 0.881 1303 E CA -0.741 55.690 56.400 0.052 0.000 0.757 1303 E CB 0.751 30.521 29.700 0.117 0.000 1.147 1303 E HN 0.334 nan 8.360 nan 0.000 0.414 1304 W N 3.925 125.274 121.300 0.083 0.000 2.368 1304 W HA 0.266 4.928 4.660 0.003 0.000 0.316 1304 W C -0.358 176.168 176.519 0.010 0.000 1.375 1304 W CA -0.224 57.154 57.345 0.055 0.000 1.261 1304 W CB 0.738 30.220 29.460 0.036 0.000 1.298 1304 W HN 0.186 nan 8.180 nan 0.000 0.539 1305 V N 4.994 125.006 119.914 0.162 0.000 2.960 1305 V HA 0.480 4.602 4.120 0.002 0.000 0.315 1305 V C -0.083 175.968 176.094 -0.072 0.000 1.087 1305 V CA -1.314 60.923 62.300 -0.105 0.000 0.982 1305 V CB 2.000 33.461 31.823 -0.604 0.000 1.039 1305 V HN 0.232 nan 8.190 nan 0.000 0.437 1306 L N 2.263 123.391 121.223 -0.158 0.000 2.329 1306 L HA 0.638 4.980 4.340 0.002 0.000 0.279 1306 L C -0.382 176.424 176.870 -0.106 0.000 1.014 1306 L CA -0.454 54.337 54.840 -0.080 0.000 0.814 1306 L CB 1.763 43.785 42.059 -0.063 0.000 1.257 1306 L HN 0.642 nan 8.230 nan 0.000 0.424 1307 E N 2.089 122.277 120.200 -0.020 0.000 2.218 1307 E HA 0.409 4.760 4.350 0.002 0.000 0.263 1307 E C -1.079 175.539 176.600 0.029 0.000 0.879 1307 E CA -0.499 55.906 56.400 0.009 0.000 0.762 1307 E CB 2.481 32.225 29.700 0.072 0.000 1.166 1307 E HN 0.529 nan 8.360 nan 0.000 0.415 1308 T N 0.503 115.068 114.554 0.017 0.000 2.948 1308 T HA 0.364 4.715 4.350 0.002 0.000 0.285 1308 T C -0.203 174.513 174.700 0.026 0.000 1.019 1308 T CA -0.840 61.272 62.100 0.020 0.000 1.013 1308 T CB 1.139 70.007 68.868 0.001 0.000 1.117 1308 T HN 0.226 nan 8.240 nan 0.000 0.533 1309 D N 0.218 120.633 120.400 0.025 0.000 2.980 1309 D HA 0.538 5.179 4.640 0.002 0.000 0.333 1309 D C 0.202 176.507 176.300 0.008 0.000 1.356 1309 D CA 0.149 54.162 54.000 0.022 0.000 0.847 1309 D CB 0.183 41.000 40.800 0.029 0.000 1.122 1309 D HN 0.949 nan 8.370 nan 0.000 0.475 1310 G N -1.319 107.479 108.800 -0.003 0.000 2.328 1310 G HA2 0.337 4.298 3.960 0.002 0.000 0.299 1310 G HA3 0.337 4.298 3.960 0.002 0.000 0.299 1310 G C -1.833 173.049 174.900 -0.029 0.000 1.435 1310 G CA -0.624 44.465 45.100 -0.018 0.000 0.865 1310 G HN -0.031 nan 8.290 nan 0.000 0.601 1311 V N 1.507 121.396 119.914 -0.042 0.000 2.443 1311 V HA 0.626 4.748 4.120 0.002 0.000 0.293 1311 V C -0.140 175.924 176.094 -0.051 0.000 1.021 1311 V CA -0.733 61.537 62.300 -0.050 0.000 0.848 1311 V CB 1.614 33.400 31.823 -0.062 0.000 0.998 1311 V HN 0.767 nan 8.190 nan 0.000 0.424 1312 N N 4.187 122.859 118.700 -0.046 0.000 2.716 1312 N HA 0.135 4.876 4.740 0.002 0.000 0.245 1312 N C 0.640 176.130 175.510 -0.033 0.000 1.495 1312 N CA -0.388 52.637 53.050 -0.043 0.000 0.759 1312 N CB 1.166 39.625 38.487 -0.047 0.000 1.261 1312 N HN 0.569 nan 8.380 nan 0.000 0.515 1313 L N 1.794 122.997 121.223 -0.034 0.000 2.013 1313 L HA -0.105 4.237 4.340 0.002 0.000 0.212 1313 L C 1.973 178.835 176.870 -0.014 0.000 1.073 1313 L CA 2.038 56.864 54.840 -0.023 0.000 0.753 1313 L CB -0.636 41.407 42.059 -0.026 0.000 0.890 1313 L HN 0.370 nan 8.230 nan 0.000 0.432 1314 S N -0.516 115.175 115.700 -0.016 0.000 2.448 1314 S HA -0.205 4.267 4.470 0.002 0.000 0.247 1314 S C 1.450 176.044 174.600 -0.009 0.000 1.033 1314 S CA 1.678 59.871 58.200 -0.011 0.000 1.003 1314 S CB -0.309 62.882 63.200 -0.015 0.000 0.786 1314 S HN 0.571 nan 8.310 nan 0.000 0.495 1315 E N -0.748 119.444 120.200 -0.012 0.000 2.676 1315 E HA 0.182 4.533 4.350 0.002 0.000 0.225 1315 E C 0.889 177.485 176.600 -0.006 0.000 0.944 1315 E CA 0.183 56.577 56.400 -0.010 0.000 1.156 1315 E CB 0.941 30.632 29.700 -0.014 0.000 1.117 1315 E HN 0.412 nan 8.360 nan 0.000 0.523 1316 V N 0.432 120.343 119.914 -0.006 0.000 3.379 1316 V HA -0.020 4.102 4.120 0.002 0.000 0.249 1316 V C 2.351 178.448 176.094 0.005 0.000 1.184 1316 V CA 0.768 63.067 62.300 -0.003 0.000 1.106 1316 V CB -0.441 31.377 31.823 -0.008 0.000 0.826 1316 V HN 0.206 nan 8.190 nan 0.000 0.465 1317 M N 1.529 121.135 119.600 0.010 0.000 2.319 1317 M HA 0.002 4.484 4.480 0.002 0.000 0.265 1317 M C 1.696 178.006 176.300 0.017 0.000 1.068 1317 M CA 1.955 57.268 55.300 0.020 0.000 1.118 1317 M CB -1.030 31.586 32.600 0.027 0.000 1.395 1317 M HN 0.315 nan 8.290 nan 0.000 0.435 1318 T N -0.166 114.394 114.554 0.010 0.000 3.500 1318 T HA 0.424 4.775 4.350 0.002 0.000 0.244 1318 T C -0.074 174.630 174.700 0.006 0.000 0.962 1318 T CA -0.515 61.589 62.100 0.008 0.000 0.932 1318 T CB -1.057 67.814 68.868 0.004 0.000 1.096 1318 T HN 0.185 nan 8.240 nan 0.000 0.617 1319 V N 3.093 123.012 119.914 0.008 0.000 2.628 1319 V HA 0.528 4.649 4.120 0.002 0.000 0.306 1319 V C -2.073 174.024 176.094 0.006 0.000 1.045 1319 V CA -2.248 60.054 62.300 0.004 0.000 0.905 1319 V CB 2.132 33.956 31.823 0.002 0.000 0.997 1319 V HN 0.403 nan 8.190 nan 0.000 0.436 1320 P HA 0.309 nan 4.420 nan 0.000 0.275 1320 P C 0.704 178.001 177.300 -0.004 0.000 1.227 1320 P CA 0.919 64.018 63.100 -0.002 0.000 0.781 1320 P CB 1.285 32.979 31.700 -0.010 0.000 0.906 1321 G N 2.125 110.926 108.800 0.001 0.000 2.317 1321 G HA2 -0.206 3.755 3.960 0.002 0.000 0.227 1321 G HA3 -0.206 3.755 3.960 0.002 0.000 0.227 1321 G C 0.164 175.080 174.900 0.027 0.000 1.042 1321 G CA 0.193 45.292 45.100 -0.001 0.000 0.623 1321 G HN 0.761 nan 8.290 nan 0.000 0.509 1322 I N 0.966 121.555 120.570 0.031 0.000 2.498 1322 I HA 0.624 4.795 4.170 0.002 0.000 0.301 1322 I C -0.904 175.253 176.117 0.066 0.000 0.984 1322 I CA -0.816 60.516 61.300 0.053 0.000 1.204 1322 I CB 1.657 39.683 38.000 0.044 0.000 1.362 1322 I HN 0.106 nan 8.210 nan 0.000 0.471 1323 D N 8.127 128.584 120.400 0.094 0.000 2.339 1323 D HA 0.232 4.874 4.640 0.002 0.000 0.256 1323 D C -2.100 174.259 176.300 0.097 0.000 1.214 1323 D CA -1.325 52.727 54.000 0.088 0.000 0.877 1323 D CB 1.354 42.210 40.800 0.094 0.000 1.111 1323 D HN 0.431 nan 8.370 nan 0.000 0.478 1324 P HA 0.161 nan 4.420 nan 0.000 0.257 1324 P C 0.408 177.745 177.300 0.062 0.000 1.737 1324 P CA -0.183 62.956 63.100 0.066 0.000 1.130 1324 P CB 0.703 32.430 31.700 0.045 0.000 1.572 1325 T N -0.882 113.710 114.554 0.063 0.000 3.003 1325 T HA 0.264 4.616 4.350 0.002 0.000 0.261 1325 T C 1.296 176.030 174.700 0.055 0.000 1.003 1325 T CA 0.380 62.506 62.100 0.044 0.000 0.917 1325 T CB 0.188 69.064 68.868 0.014 0.000 1.084 1325 T HN 0.031 nan 8.240 nan 0.000 0.522 1326 R N -0.190 120.371 120.500 0.102 0.000 2.513 1326 R HA 0.448 4.789 4.340 0.002 0.000 0.245 1326 R C 0.467 177.022 176.300 0.424 0.000 0.908 1326 R CA -0.306 55.876 56.100 0.136 0.000 1.023 1326 R CB 0.713 30.932 30.300 -0.136 0.000 1.338 1326 R HN 0.288 nan 8.270 nan 0.000 0.575 1327 I N 2.147 122.938 120.570 0.368 0.000 2.826 1327 I HA -0.180 3.991 4.170 0.002 0.000 0.295 1327 I C -0.731 175.560 176.117 0.290 0.000 1.213 1327 I CA 0.726 62.196 61.300 0.283 0.000 1.436 1327 I CB 0.233 38.315 38.000 0.135 0.000 1.348 1327 I HN 0.039 nan 8.210 nan 0.000 0.570 1328 Y N 6.262 126.614 120.300 0.086 0.000 2.462 1328 Y HA 0.452 5.003 4.550 0.002 0.000 0.346 1328 Y C -0.519 175.410 175.900 0.050 0.000 0.976 1328 Y CA -0.684 57.474 58.100 0.097 0.000 1.044 1328 Y CB 1.793 40.345 38.460 0.153 0.000 1.230 1328 Y HN 0.515 nan 8.280 nan 0.000 0.455 1329 T N 4.375 118.547 114.554 -0.636 0.000 2.829 1329 T HA 0.159 4.511 4.350 0.002 0.000 0.280 1329 T C 0.585 174.853 174.700 -0.719 0.000 0.999 1329 T CA -0.888 60.928 62.100 -0.473 0.000 0.983 1329 T CB 0.997 69.698 68.868 -0.278 0.000 0.968 1329 T HN 0.699 nan 8.240 nan 0.000 0.446 1330 N N 0.592 119.128 118.700 -0.274 0.000 2.550 1330 N HA -0.069 4.673 4.740 0.002 0.000 0.186 1330 N C 0.607 176.108 175.510 -0.015 0.000 1.110 1330 N CA 0.067 53.074 53.050 -0.073 0.000 0.912 1330 N CB 0.009 38.554 38.487 0.096 0.000 0.968 1330 N HN 0.448 nan 8.380 nan 0.000 0.448 1331 S N 0.428 116.064 115.700 -0.107 0.000 2.400 1331 S HA 0.189 4.660 4.470 0.002 0.000 0.295 1331 S C 0.484 175.013 174.600 -0.119 0.000 1.113 1331 S CA -1.005 57.113 58.200 -0.136 0.000 1.064 1331 S CB -0.637 62.465 63.200 -0.163 0.000 0.990 1331 S HN 0.326 nan 8.310 nan 0.000 0.502 1332 F N 4.313 124.236 119.950 -0.044 0.000 2.811 1332 F HA 0.340 4.868 4.527 0.003 0.000 0.301 1332 F C 1.221 177.020 175.800 -0.001 0.000 1.151 1332 F CA -0.160 57.832 58.000 -0.014 0.000 1.412 1332 F CB -0.135 38.889 39.000 0.039 0.000 1.113 1332 F HN 0.496 nan 8.300 nan 0.000 0.579 1333 I N 1.173 121.429 120.570 -0.524 0.000 2.703 1333 I HA -0.105 4.066 4.170 0.002 0.000 0.259 1333 I C 1.545 177.571 176.117 -0.151 0.000 1.151 1333 I CA 1.036 62.121 61.300 -0.359 0.000 1.470 1333 I CB -0.504 37.205 38.000 -0.485 0.000 1.112 1333 I HN 0.207 nan 8.210 nan 0.000 0.437 1334 D N 0.796 121.111 120.400 -0.141 0.000 2.149 1334 D HA -0.090 4.552 4.640 0.002 0.000 0.201 1334 D C 2.241 178.517 176.300 -0.040 0.000 0.972 1334 D CA 0.862 54.813 54.000 -0.082 0.000 0.835 1334 D CB 0.466 41.213 40.800 -0.088 0.000 0.966 1334 D HN 0.259 nan 8.370 nan 0.000 0.476 1335 I N 1.272 121.826 120.570 -0.027 0.000 2.264 1335 I HA -0.233 3.938 4.170 0.002 0.000 0.248 1335 I C 2.477 178.621 176.117 0.046 0.000 1.111 1335 I CA 0.826 62.138 61.300 0.020 0.000 1.382 1335 I CB -0.522 37.509 38.000 0.052 0.000 1.060 1335 I HN 0.097 nan 8.210 nan 0.000 0.418 1336 M N 0.625 120.256 119.600 0.052 0.000 2.175 1336 M HA -0.180 4.302 4.480 0.002 0.000 0.264 1336 M C 2.020 178.341 176.300 0.034 0.000 1.063 1336 M CA 1.728 57.065 55.300 0.061 0.000 1.119 1336 M CB -0.417 32.230 32.600 0.077 0.000 1.377 1336 M HN 0.257 nan 8.290 nan 0.000 0.415 1337 E N -1.125 119.082 120.200 0.012 0.000 2.107 1337 E HA -0.127 4.225 4.350 0.002 0.000 0.191 1337 E C 1.962 178.567 176.600 0.009 0.000 0.982 1337 E CA 1.114 57.517 56.400 0.005 0.000 0.809 1337 E CB 0.221 29.915 29.700 -0.011 0.000 0.756 1337 E HN 0.321 nan 8.360 nan 0.000 0.459 1338 V N 0.572 120.492 119.914 0.010 0.000 2.581 1338 V HA -0.041 4.080 4.120 0.002 0.000 0.240 1338 V C 1.712 177.818 176.094 0.021 0.000 1.054 1338 V CA 0.891 63.198 62.300 0.011 0.000 1.076 1338 V CB 0.065 31.892 31.823 0.005 0.000 0.748 1338 V HN 0.210 nan 8.190 nan 0.000 0.474 1339 L N 0.242 121.483 121.223 0.030 0.000 2.728 1339 L HA 0.572 4.913 4.340 0.002 0.000 0.238 1339 L C 0.885 177.779 176.870 0.040 0.000 1.143 1339 L CA 0.524 55.387 54.840 0.038 0.000 0.937 1339 L CB -0.302 41.787 42.059 0.050 0.000 1.225 1339 L HN 0.498 nan 8.230 nan 0.000 0.507 1340 G N 0.850 109.674 108.800 0.039 0.000 2.707 1340 G HA2 -0.242 3.719 3.960 0.002 0.000 0.686 1340 G HA3 -0.242 3.719 3.960 0.002 0.000 0.686 1340 G C 0.083 175.014 174.900 0.052 0.000 1.315 1340 G CA -0.152 44.972 45.100 0.040 0.000 0.832 1340 G HN 0.010 nan 8.290 nan 0.000 0.573 1341 I N -0.098 120.503 120.570 0.050 0.000 2.252 1341 I HA 0.018 4.190 4.170 0.002 0.000 0.245 1341 I C 2.327 178.483 176.117 0.064 0.000 1.102 1341 I CA 2.432 63.768 61.300 0.060 0.000 1.385 1341 I CB -0.092 37.940 38.000 0.054 0.000 1.064 1341 I HN 0.621 nan 8.210 nan 0.000 0.414 1342 E N 0.604 120.836 120.200 0.054 0.000 2.268 1342 E HA -0.112 4.239 4.350 0.002 0.000 0.195 1342 E C 2.150 178.785 176.600 0.058 0.000 0.995 1342 E CA 1.047 57.477 56.400 0.050 0.000 0.836 1342 E CB -0.150 29.573 29.700 0.038 0.000 0.763 1342 E HN 0.641 nan 8.360 nan 0.000 0.491 1343 A N 0.503 123.363 122.820 0.066 0.000 1.930 1343 A HA 0.035 4.357 4.320 0.002 0.000 0.215 1343 A C 2.397 180.051 177.584 0.116 0.000 1.176 1343 A CA 1.378 53.464 52.037 0.083 0.000 0.632 1343 A CB -0.677 18.370 19.000 0.078 0.000 0.819 1343 A HN 0.309 nan 8.150 nan 0.000 0.445 1344 G N -0.205 108.665 108.800 0.117 0.000 2.421 1344 G HA2 -0.279 3.683 3.960 0.002 0.000 0.216 1344 G HA3 -0.279 3.683 3.960 0.002 0.000 0.216 1344 G C 1.712 176.700 174.900 0.147 0.000 1.171 1344 G CA 1.026 46.221 45.100 0.158 0.000 0.775 1344 G HN 0.531 nan 8.290 nan 0.000 0.543 1345 R N 0.646 121.209 120.500 0.105 0.000 2.133 1345 R HA -0.177 4.164 4.340 0.002 0.000 0.245 1345 R C 2.767 179.130 176.300 0.106 0.000 1.137 1345 R CA 1.963 58.111 56.100 0.081 0.000 0.947 1345 R CB -0.505 29.828 30.300 0.055 0.000 0.865 1345 R HN 0.316 nan 8.270 nan 0.000 0.437 1346 A N 0.120 123.009 122.820 0.116 0.000 1.969 1346 A HA 0.006 4.327 4.320 0.002 0.000 0.218 1346 A C 2.271 179.995 177.584 0.233 0.000 1.169 1346 A CA 1.428 53.554 52.037 0.148 0.000 0.635 1346 A CB -0.475 18.585 19.000 0.100 0.000 0.810 1346 A HN 0.566 nan 8.150 nan 0.000 0.445 1347 A N -0.461 122.507 122.820 0.247 0.000 1.929 1347 A HA 0.053 4.375 4.320 0.002 0.000 0.216 1347 A C 2.062 179.766 177.584 0.201 0.000 1.176 1347 A CA 1.502 53.742 52.037 0.337 0.000 0.628 1347 A CB -0.542 18.669 19.000 0.350 0.000 0.816 1347 A HN 0.626 nan 8.150 nan 0.000 0.444 1348 L N -1.397 119.850 121.223 0.041 0.000 2.042 1348 L HA -0.171 4.171 4.340 0.002 0.000 0.210 1348 L C 2.264 179.065 176.870 -0.115 0.000 1.076 1348 L CA 2.428 57.079 54.840 -0.314 0.000 0.749 1348 L CB -0.893 40.962 42.059 -0.340 0.000 0.893 1348 L HN 0.543 nan 8.230 nan 0.000 0.432 1349 Y N -0.017 120.252 120.300 -0.052 0.000 2.133 1349 Y HA -0.219 4.333 4.550 0.002 0.000 0.287 1349 Y C 2.610 178.567 175.900 0.096 0.000 1.134 1349 Y CA 1.956 60.066 58.100 0.016 0.000 1.133 1349 Y CB -0.203 38.281 38.460 0.041 0.000 0.987 1349 Y HN 0.061 nan 8.280 nan 0.000 0.502 1350 K N 0.424 121.003 120.400 0.298 0.000 2.173 1350 K HA -0.233 4.089 4.320 0.002 0.000 0.207 1350 K C 1.706 178.403 176.600 0.163 0.000 1.046 1350 K CA 1.865 58.290 56.287 0.229 0.000 0.929 1350 K CB -0.085 32.563 32.500 0.247 0.000 0.720 1350 K HN 0.386 nan 8.250 nan 0.000 0.453 1351 E N 0.126 120.401 120.200 0.126 0.000 2.008 1351 E HA -0.093 4.259 4.350 0.002 0.000 0.191 1351 E C 2.136 178.732 176.600 -0.006 0.000 0.986 1351 E CA 0.825 57.277 56.400 0.088 0.000 0.807 1351 E CB -0.649 29.072 29.700 0.035 0.000 0.766 1351 E HN -0.017 nan 8.360 nan 0.000 0.450 1352 V N 0.941 120.788 119.914 -0.111 0.000 2.282 1352 V HA -0.304 3.817 4.120 0.002 0.000 0.249 1352 V C 2.254 178.262 176.094 -0.144 0.000 1.057 1352 V CA 2.191 64.406 62.300 -0.142 0.000 1.032 1352 V CB -0.683 31.034 31.823 -0.177 0.000 0.645 1352 V HN 0.339 nan 8.190 nan 0.000 0.447 1353 Y N 1.210 121.279 120.300 -0.386 0.000 2.165 1353 Y HA -0.254 4.298 4.550 0.003 0.000 0.286 1353 Y C 2.560 178.399 175.900 -0.102 0.000 1.155 1353 Y CA 2.121 60.042 58.100 -0.298 0.000 1.164 1353 Y CB -0.268 37.933 38.460 -0.432 0.000 0.978 1353 Y HN 0.242 nan 8.280 nan 0.000 0.513 1354 N N -0.025 118.740 118.700 0.107 0.000 2.381 1354 N HA -0.141 4.600 4.740 0.002 0.000 0.182 1354 N C 1.768 177.267 175.510 -0.019 0.000 1.025 1354 N CA 1.136 54.232 53.050 0.076 0.000 0.888 1354 N CB -0.034 38.550 38.487 0.161 0.000 0.965 1354 N HN 0.303 nan 8.380 nan 0.000 0.438 1355 V N 2.016 121.906 119.914 -0.038 0.000 2.223 1355 V HA -0.219 3.902 4.120 0.002 0.000 0.244 1355 V C 2.411 178.448 176.094 -0.094 0.000 1.045 1355 V CA 1.173 63.445 62.300 -0.048 0.000 1.000 1355 V CB -0.356 31.443 31.823 -0.041 0.000 0.635 1355 V HN 0.171 nan 8.190 nan 0.000 0.445 1356 I N 0.848 121.331 120.570 -0.145 0.000 2.118 1356 I HA -0.272 3.900 4.170 0.002 0.000 0.241 1356 I C 2.650 178.653 176.117 -0.190 0.000 1.070 1356 I CA 2.370 63.572 61.300 -0.163 0.000 1.327 1356 I CB -1.815 36.072 38.000 -0.189 0.000 1.034 1356 I HN 0.352 nan 8.210 nan 0.000 0.405 1357 A N 0.890 123.510 122.820 -0.333 0.000 2.014 1357 A HA -0.130 4.191 4.320 0.002 0.000 0.218 1357 A C 2.513 180.012 177.584 -0.142 0.000 1.163 1357 A CA 1.685 53.537 52.037 -0.310 0.000 0.652 1357 A CB -0.680 17.936 19.000 -0.640 0.000 0.808 1357 A HN 0.581 nan 8.150 nan 0.000 0.449 1358 S N 0.537 116.174 115.700 -0.104 0.000 2.382 1358 S HA -0.213 4.258 4.470 0.002 0.000 0.228 1358 S C 1.260 175.841 174.600 -0.032 0.000 1.027 1358 S CA 1.770 59.944 58.200 -0.043 0.000 0.991 1358 S CB -0.597 62.591 63.200 -0.020 0.000 0.823 1358 S HN 0.505 nan 8.310 nan 0.000 0.469 1359 D N 0.950 121.326 120.400 -0.040 0.000 2.277 1359 D HA 0.339 4.981 4.640 0.002 0.000 0.208 1359 D C 1.602 177.892 176.300 -0.017 0.000 0.962 1359 D CA 1.322 55.307 54.000 -0.024 0.000 0.865 1359 D CB 0.012 40.797 40.800 -0.025 0.000 0.939 1359 D HN 0.620 nan 8.370 nan 0.000 0.510 1360 G N -0.736 108.049 108.800 -0.025 0.000 3.330 1360 G HA2 -0.203 3.759 3.960 0.002 0.000 0.197 1360 G HA3 -0.203 3.759 3.960 0.002 0.000 0.197 1360 G C 0.337 175.238 174.900 0.002 0.000 1.284 1360 G CA -0.139 44.956 45.100 -0.008 0.000 0.921 1360 G HN 0.180 nan 8.290 nan 0.000 0.466 1361 S N 1.487 117.185 115.700 -0.003 0.000 2.575 1361 S HA 0.363 4.834 4.470 0.002 0.000 0.295 1361 S C -0.261 174.361 174.600 0.036 0.000 1.267 1361 S CA 0.155 58.362 58.200 0.012 0.000 1.074 1361 S CB 0.242 63.431 63.200 -0.018 0.000 0.829 1361 S HN 0.731 nan 8.310 nan 0.000 0.497 1362 Y N 4.337 124.617 120.300 -0.033 0.000 2.334 1362 Y HA 0.624 5.176 4.550 0.003 0.000 0.328 1362 Y C -0.572 175.351 175.900 0.039 0.000 1.130 1362 Y CA -0.901 57.191 58.100 -0.014 0.000 1.163 1362 Y CB 0.776 39.248 38.460 0.020 0.000 1.207 1362 Y HN 0.353 nan 8.280 nan 0.000 0.471 1363 V N 5.718 125.240 119.914 -0.653 0.000 2.841 1363 V HA 0.225 4.346 4.120 0.002 0.000 0.310 1363 V C -0.866 174.878 176.094 -0.582 0.000 1.090 1363 V CA -1.262 60.707 62.300 -0.552 0.000 0.930 1363 V CB 2.032 33.760 31.823 -0.159 0.000 1.014 1363 V HN 0.859 nan 8.190 nan 0.000 0.425 1364 N N 1.798 120.292 118.700 -0.343 0.000 2.513 1364 N HA 0.082 4.823 4.740 0.002 0.000 0.268 1364 N C 0.784 176.343 175.510 0.082 0.000 1.180 1364 N CA 0.078 53.084 53.050 -0.074 0.000 0.948 1364 N CB 0.444 38.909 38.487 -0.036 0.000 1.083 1364 N HN 0.690 nan 8.380 nan 0.000 0.455 1365 Y N 4.408 124.800 120.300 0.154 0.000 2.173 1365 Y HA -0.365 4.186 4.550 0.003 0.000 0.282 1365 Y C 1.898 177.801 175.900 0.006 0.000 1.192 1365 Y CA 2.157 60.371 58.100 0.190 0.000 1.176 1365 Y CB 0.023 38.597 38.460 0.190 0.000 0.969 1365 Y HN 0.680 nan 8.280 nan 0.000 0.519 1366 R N -1.222 119.176 120.500 -0.170 0.000 2.117 1366 R HA -0.219 4.123 4.340 0.002 0.000 0.243 1366 R C 1.740 177.858 176.300 -0.304 0.000 1.143 1366 R CA 1.709 57.556 56.100 -0.421 0.000 0.968 1366 R CB -1.160 28.753 30.300 -0.644 0.000 0.863 1366 R HN 0.457 nan 8.270 nan 0.000 0.444 1367 H N 1.339 120.376 119.070 -0.054 0.000 2.256 1367 H HA 0.036 4.593 4.556 0.003 0.000 0.301 1367 H C 2.318 177.616 175.328 -0.050 0.000 1.062 1367 H CA 1.743 57.779 56.048 -0.020 0.000 1.283 1367 H CB -0.505 29.255 29.762 -0.003 0.000 1.379 1367 H HN 0.164 nan 8.280 nan 0.000 0.493 1368 M N 0.381 120.045 119.600 0.106 0.000 2.213 1368 M HA -0.074 4.408 4.480 0.002 0.000 0.263 1368 M C 2.592 178.927 176.300 0.059 0.000 1.062 1368 M CA 1.338 56.678 55.300 0.067 0.000 1.105 1368 M CB -0.217 32.427 32.600 0.074 0.000 1.385 1368 M HN 0.245 nan 8.290 nan 0.000 0.417 1369 A N 0.134 122.889 122.820 -0.109 0.000 2.019 1369 A HA -0.113 4.209 4.320 0.002 0.000 0.219 1369 A C 2.118 179.599 177.584 -0.171 0.000 1.164 1369 A CA 1.276 53.124 52.037 -0.315 0.000 0.644 1369 A CB -0.585 17.831 19.000 -0.974 0.000 0.805 1369 A HN 0.468 nan 8.150 nan 0.000 0.449 1370 L N -1.258 119.898 121.223 -0.112 0.000 2.084 1370 L HA 0.039 4.381 4.340 0.002 0.000 0.202 1370 L C 2.205 179.049 176.870 -0.044 0.000 1.074 1370 L CA 1.279 56.086 54.840 -0.057 0.000 0.757 1370 L CB -0.405 41.664 42.059 0.018 0.000 0.918 1370 L HN 0.336 nan 8.230 nan 0.000 0.444 1371 L N -0.591 120.608 121.223 -0.041 0.000 1.980 1371 L HA -0.305 4.037 4.340 0.002 0.000 0.232 1371 L C 2.422 179.261 176.870 -0.052 0.000 1.092 1371 L CA 2.406 57.210 54.840 -0.061 0.000 0.808 1371 L CB -1.132 40.890 42.059 -0.063 0.000 0.908 1371 L HN 0.140 nan 8.230 nan 0.000 0.442 1372 V N 0.090 119.984 119.914 -0.032 0.000 2.250 1372 V HA -0.426 3.696 4.120 0.002 0.000 0.253 1372 V C 2.411 178.491 176.094 -0.022 0.000 1.065 1372 V CA 2.401 64.691 62.300 -0.017 0.000 1.039 1372 V CB -0.744 31.111 31.823 0.054 0.000 0.647 1372 V HN 0.620 nan 8.190 nan 0.000 0.446 1373 D N -0.723 119.655 120.400 -0.037 0.000 2.144 1373 D HA -0.125 4.517 4.640 0.002 0.000 0.199 1373 D C 2.073 178.354 176.300 -0.031 0.000 0.984 1373 D CA 1.471 55.450 54.000 -0.035 0.000 0.834 1373 D CB -0.194 40.574 40.800 -0.053 0.000 0.955 1373 D HN 0.374 nan 8.370 nan 0.000 0.465 1374 V N 0.893 120.782 119.914 -0.041 0.000 2.358 1374 V HA -0.234 3.887 4.120 0.002 0.000 0.246 1374 V C 2.552 178.633 176.094 -0.022 0.000 1.047 1374 V CA 1.240 63.515 62.300 -0.042 0.000 1.035 1374 V CB -0.393 31.389 31.823 -0.069 0.000 0.658 1374 V HN 0.205 nan 8.190 nan 0.000 0.452 1375 M N -0.560 119.029 119.600 -0.020 0.000 2.117 1375 M HA -0.189 4.292 4.480 0.002 0.000 0.262 1375 M C 2.356 178.676 176.300 0.032 0.000 1.065 1375 M CA 2.220 57.527 55.300 0.012 0.000 1.114 1375 M CB -0.684 31.920 32.600 0.007 0.000 1.361 1375 M HN 0.304 nan 8.290 nan 0.000 0.408 1376 T N -0.192 114.376 114.554 0.023 0.000 2.985 1376 T HA -0.055 4.296 4.350 0.002 0.000 0.266 1376 T C 1.737 176.458 174.700 0.035 0.000 1.076 1376 T CA 1.707 63.831 62.100 0.039 0.000 1.135 1376 T CB -0.189 68.701 68.868 0.037 0.000 0.890 1376 T HN 0.582 nan 8.240 nan 0.000 0.480 1377 T N -0.671 113.894 114.554 0.018 0.000 3.085 1377 T HA 0.040 4.391 4.350 0.002 0.000 0.263 1377 T C 1.774 176.486 174.700 0.020 0.000 1.127 1377 T CA 0.633 62.742 62.100 0.014 0.000 1.103 1377 T CB -0.222 68.639 68.868 -0.012 0.000 0.921 1377 T HN 0.342 nan 8.240 nan 0.000 0.510 1378 Q N 0.758 120.575 119.800 0.028 0.000 2.291 1378 Q HA 0.136 4.477 4.340 0.002 0.000 0.205 1378 Q C 1.797 177.819 176.000 0.036 0.000 0.970 1378 Q CA 1.246 57.068 55.803 0.032 0.000 0.876 1378 Q CB -0.233 28.529 28.738 0.041 0.000 0.935 1378 Q HN 0.808 nan 8.270 nan 0.000 0.455 1379 G N -1.886 106.938 108.800 0.041 0.000 3.288 1379 G HA2 -0.134 3.827 3.960 0.002 0.000 0.195 1379 G HA3 -0.134 3.827 3.960 0.002 0.000 0.195 1379 G C 0.299 175.228 174.900 0.048 0.000 1.093 1379 G CA -0.139 44.986 45.100 0.042 0.000 0.852 1379 G HN 0.554 nan 8.290 nan 0.000 0.453 1380 G N -0.389 108.443 108.800 0.053 0.000 3.247 1380 G HA2 0.596 4.557 3.960 0.002 0.000 0.163 1380 G HA3 0.596 4.557 3.960 0.002 0.000 0.163 1380 G C -0.706 174.241 174.900 0.079 0.000 1.206 1380 G CA -0.617 44.520 45.100 0.062 0.000 0.918 1380 G HN 0.590 nan 8.290 nan 0.000 0.625 1381 L N 2.081 123.360 121.223 0.093 0.000 2.321 1381 L HA 0.322 4.664 4.340 0.002 0.000 0.272 1381 L C -0.265 176.673 176.870 0.114 0.000 1.050 1381 L CA -0.413 54.501 54.840 0.123 0.000 0.893 1381 L CB 1.160 43.326 42.059 0.177 0.000 1.272 1381 L HN 0.294 nan 8.230 nan 0.000 0.435 1382 T N 0.803 115.417 114.554 0.101 0.000 2.752 1382 T HA 0.154 4.506 4.350 0.002 0.000 0.295 1382 T C 0.656 175.435 174.700 0.130 0.000 0.923 1382 T CA -0.480 61.686 62.100 0.110 0.000 1.112 1382 T CB 0.644 69.573 68.868 0.101 0.000 0.884 1382 T HN 0.623 nan 8.240 nan 0.000 0.525 1383 S N 2.018 117.811 115.700 0.155 0.000 2.600 1383 S HA 0.258 4.730 4.470 0.002 0.000 0.265 1383 S C 0.496 175.232 174.600 0.226 0.000 1.325 1383 S CA -0.991 57.309 58.200 0.167 0.000 1.002 1383 S CB 0.572 63.874 63.200 0.169 0.000 0.921 1383 S HN 0.453 nan 8.310 nan 0.000 0.554 1384 V N 1.874 121.889 119.914 0.169 0.000 2.224 1384 V HA 0.328 4.449 4.120 0.002 0.000 0.289 1384 V C 0.042 176.324 176.094 0.313 0.000 1.518 1384 V CA -0.323 62.088 62.300 0.185 0.000 1.533 1384 V CB -1.456 30.329 31.823 -0.062 0.000 1.460 1384 V HN 1.000 nan 8.190 nan 0.000 0.515 1385 T N 0.003 114.770 114.554 0.354 0.000 2.838 1385 T HA 0.350 4.701 4.350 0.002 0.000 0.292 1385 T C 1.190 175.890 174.700 -0.001 0.000 1.113 1385 T CA -0.908 61.304 62.100 0.187 0.000 1.008 1385 T CB 1.877 70.782 68.868 0.061 0.000 1.259 1385 T HN 0.449 nan 8.240 nan 0.000 0.520 1386 R N 0.204 120.673 120.500 -0.051 0.000 2.200 1386 R HA -0.141 4.200 4.340 0.002 0.000 0.234 1386 R C 1.366 177.538 176.300 -0.213 0.000 1.127 1386 R CA 1.517 57.537 56.100 -0.133 0.000 0.989 1386 R CB -0.627 29.586 30.300 -0.144 0.000 0.869 1386 R HN 0.558 nan 8.270 nan 0.000 0.459 1387 H N 0.622 119.680 119.070 -0.020 0.000 2.372 1387 H HA 0.136 4.693 4.556 0.003 0.000 0.301 1387 H C 1.944 177.253 175.328 -0.032 0.000 1.065 1387 H CA 1.019 57.056 56.048 -0.018 0.000 1.364 1387 H CB -0.633 29.141 29.762 0.020 0.000 1.406 1387 H HN 0.379 nan 8.280 nan 0.000 0.521 1388 G N 1.093 109.954 108.800 0.102 0.000 2.792 1388 G HA2 -0.097 3.865 3.960 0.002 0.000 0.147 1388 G HA3 -0.097 3.865 3.960 0.002 0.000 0.147 1388 G C 1.356 176.254 174.900 -0.003 0.000 1.838 1388 G CA 0.544 45.705 45.100 0.102 0.000 0.980 1388 G HN 0.376 nan 8.290 nan 0.000 0.436 1389 F N 0.852 120.776 119.950 -0.044 0.000 2.115 1389 F HA -0.173 4.356 4.527 0.002 0.000 0.300 1389 F C 1.897 177.642 175.800 -0.092 0.000 1.092 1389 F CA 1.639 59.589 58.000 -0.083 0.000 1.245 1389 F CB -0.786 38.129 39.000 -0.142 0.000 0.995 1389 F HN 0.222 nan 8.300 nan 0.000 0.481 1390 N N 0.299 118.346 118.700 -1.088 0.000 2.626 1390 N HA -0.127 4.615 4.740 0.002 0.000 0.193 1390 N C 1.569 176.928 175.510 -0.252 0.000 1.213 1390 N CA 0.475 53.114 53.050 -0.685 0.000 0.914 1390 N CB -0.266 37.785 38.487 -0.728 0.000 0.994 1390 N HN 0.428 nan 8.380 nan 0.000 0.447 1391 R N -0.302 120.099 120.500 -0.166 0.000 2.146 1391 R HA 0.192 4.534 4.340 0.002 0.000 0.206 1391 R C 0.136 176.418 176.300 -0.030 0.000 1.049 1391 R CA 0.701 56.762 56.100 -0.065 0.000 1.029 1391 R CB -0.419 29.865 30.300 -0.026 0.000 0.949 1391 R HN 0.106 nan 8.270 nan 0.000 0.471 1392 S N 1.972 117.664 115.700 -0.014 0.000 4.051 1392 S HA 0.044 4.515 4.470 0.002 0.000 0.215 1392 S C -0.057 174.548 174.600 0.008 0.000 1.289 1392 S CA 0.173 58.379 58.200 0.010 0.000 0.907 1392 S CB -1.254 61.964 63.200 0.030 0.000 1.603 1392 S HN 0.648 nan 8.310 nan 0.000 0.453 1393 N N -0.193 118.508 118.700 0.001 0.000 2.713 1393 N HA -0.219 4.522 4.740 0.002 0.000 0.251 1393 N C -0.592 174.925 175.510 0.011 0.000 1.117 1393 N CA 1.506 54.559 53.050 0.006 0.000 0.770 1393 N CB -2.365 36.129 38.487 0.011 0.000 1.137 1393 N HN 0.560 nan 8.380 nan 0.000 0.566 1394 T N -0.132 114.430 114.554 0.013 0.000 2.889 1394 T HA 0.552 4.904 4.350 0.002 0.000 0.291 1394 T C 1.134 175.849 174.700 0.025 0.000 0.995 1394 T CA -0.098 62.014 62.100 0.020 0.000 1.092 1394 T CB 1.315 70.199 68.868 0.025 0.000 0.954 1394 T HN 0.567 nan 8.240 nan 0.000 0.506 1395 G N 1.284 110.103 108.800 0.031 0.000 2.113 1395 G HA2 0.197 4.159 3.960 0.002 0.000 0.263 1395 G HA3 0.197 4.159 3.960 0.002 0.000 0.263 1395 G C 1.262 176.206 174.900 0.074 0.000 0.954 1395 G CA -0.109 45.020 45.100 0.049 0.000 0.996 1395 G HN 1.046 nan 8.290 nan 0.000 0.381 1396 A N 3.674 126.553 122.820 0.098 0.000 1.942 1396 A HA -0.286 4.036 4.320 0.002 0.000 0.227 1396 A C 2.532 180.160 177.584 0.074 0.000 1.445 1396 A CA 2.090 54.171 52.037 0.074 0.000 0.704 1396 A CB -0.618 18.425 19.000 0.072 0.000 0.841 1396 A HN 0.756 nan 8.150 nan 0.000 0.495 1397 L N -1.996 119.335 121.223 0.181 0.000 2.043 1397 L HA -0.274 4.068 4.340 0.002 0.000 0.212 1397 L C 2.804 179.718 176.870 0.072 0.000 1.075 1397 L CA 2.100 57.025 54.840 0.142 0.000 0.752 1397 L CB -0.370 41.788 42.059 0.166 0.000 0.891 1397 L HN 0.696 nan 8.230 nan 0.000 0.432 1398 M N -0.244 119.395 119.600 0.064 0.000 2.115 1398 M HA -0.282 4.199 4.480 0.002 0.000 0.258 1398 M C 2.369 178.704 176.300 0.058 0.000 1.071 1398 M CA 1.964 57.295 55.300 0.053 0.000 1.100 1398 M CB -0.180 32.447 32.600 0.044 0.000 1.292 1398 M HN -0.020 nan 8.290 nan 0.000 0.415 1399 R N -0.663 119.862 120.500 0.042 0.000 2.193 1399 R HA -0.129 4.212 4.340 0.002 0.000 0.229 1399 R C 2.248 178.583 176.300 0.058 0.000 1.110 1399 R CA 1.334 57.457 56.100 0.039 0.000 0.988 1399 R CB -0.919 29.378 30.300 -0.005 0.000 0.871 1399 R HN 0.544 nan 8.270 nan 0.000 0.458 1400 C N 0.323 119.635 119.300 0.021 0.000 2.413 1400 C HA -0.125 4.336 4.460 0.002 0.000 0.277 1400 C C 2.440 177.451 174.990 0.036 0.000 1.228 1400 C CA 1.547 60.560 59.018 -0.007 0.000 1.731 1400 C CB -0.847 26.870 27.740 -0.038 0.000 2.042 1400 C HN 0.539 nan 8.230 nan 0.000 0.468 1401 S N -0.506 115.235 115.700 0.067 0.000 2.805 1401 S HA -0.017 4.454 4.470 0.002 0.000 0.230 1401 S C 0.678 175.384 174.600 0.177 0.000 0.968 1401 S CA 0.445 58.696 58.200 0.085 0.000 0.976 1401 S CB -0.521 62.724 63.200 0.075 0.000 0.787 1401 S HN 0.616 nan 8.310 nan 0.000 0.533 1402 F N 1.424 121.375 119.950 0.002 0.000 2.322 1402 F HA 0.455 4.984 4.527 0.002 0.000 0.223 1402 F C 1.832 177.632 175.800 0.000 0.000 1.054 1402 F CA 0.305 58.317 58.000 0.021 0.000 1.129 1402 F CB 0.033 39.047 39.000 0.024 0.000 1.438 1402 F HN 0.092 nan 8.300 nan 0.000 0.597 1403 E N -0.654 119.418 120.200 -0.213 0.000 3.100 1403 E HA 0.060 4.411 4.350 0.002 0.000 0.191 1403 E C 0.054 176.567 176.600 -0.146 0.000 1.097 1403 E CA -0.002 56.192 56.400 -0.344 0.000 1.339 1403 E CB 0.247 29.602 29.700 -0.576 0.000 1.330 1403 E HN 0.142 nan 8.360 nan 0.000 0.511 1404 E N 1.931 122.087 120.200 -0.073 0.000 2.222 1404 E HA 0.029 4.381 4.350 0.002 0.000 0.312 1404 E C 0.194 176.754 176.600 -0.067 0.000 1.263 1404 E CA 0.100 56.465 56.400 -0.058 0.000 1.356 1404 E CB 0.082 29.763 29.700 -0.031 0.000 1.180 1404 E HN 0.171 nan 8.360 nan 0.000 0.494 1405 T N -0.931 113.571 114.554 -0.086 0.000 2.759 1405 T HA -0.173 4.178 4.350 0.002 0.000 0.269 1405 T C 1.696 176.305 174.700 -0.152 0.000 1.042 1405 T CA 0.926 62.965 62.100 -0.101 0.000 1.140 1405 T CB 0.074 68.882 68.868 -0.101 0.000 0.864 1405 T HN 0.269 nan 8.240 nan 0.000 0.455 1406 V N 1.704 121.520 119.914 -0.163 0.000 2.672 1406 V HA -0.028 4.093 4.120 0.002 0.000 0.242 1406 V C 2.645 178.587 176.094 -0.253 0.000 1.059 1406 V CA 1.004 63.129 62.300 -0.292 0.000 1.081 1406 V CB -0.084 31.559 31.823 -0.300 0.000 0.752 1406 V HN 0.502 nan 8.190 nan 0.000 0.472 1407 E N 0.169 120.349 120.200 -0.034 0.000 2.209 1407 E HA -0.222 4.129 4.350 0.002 0.000 0.196 1407 E C 2.207 178.818 176.600 0.018 0.000 0.993 1407 E CA 1.405 57.862 56.400 0.095 0.000 0.819 1407 E CB -0.481 29.265 29.700 0.076 0.000 0.745 1407 E HN 0.471 nan 8.360 nan 0.000 0.477 1408 I N 1.836 122.367 120.570 -0.065 0.000 2.076 1408 I HA -0.251 3.921 4.170 0.002 0.000 0.237 1408 I C 2.774 178.789 176.117 -0.170 0.000 1.059 1408 I CA 1.043 62.286 61.300 -0.096 0.000 1.317 1408 I CB -1.116 36.826 38.000 -0.096 0.000 1.037 1408 I HN 0.123 nan 8.210 nan 0.000 0.398 1409 L N -0.706 120.349 121.223 -0.281 0.000 2.081 1409 L HA -0.259 4.083 4.340 0.002 0.000 0.212 1409 L C 2.579 179.264 176.870 -0.308 0.000 1.080 1409 L CA 1.475 56.037 54.840 -0.463 0.000 0.754 1409 L CB -0.582 41.165 42.059 -0.521 0.000 0.893 1409 L HN 0.107 nan 8.230 nan 0.000 0.433 1410 F N 0.527 120.377 119.950 -0.167 0.000 2.022 1410 F HA -0.256 4.272 4.527 0.003 0.000 0.293 1410 F C 2.748 178.599 175.800 0.084 0.000 1.142 1410 F CA 1.429 59.380 58.000 -0.082 0.000 1.177 1410 F CB -0.246 38.639 39.000 -0.191 0.000 0.982 1410 F HN 0.176 nan 8.300 nan 0.000 0.473 1411 E N 0.833 121.184 120.200 0.252 0.000 2.333 1411 E HA -0.157 4.195 4.350 0.002 0.000 0.198 1411 E C 1.886 178.468 176.600 -0.030 0.000 1.007 1411 E CA 0.857 57.311 56.400 0.089 0.000 0.845 1411 E CB -0.354 29.339 29.700 -0.012 0.000 0.766 1411 E HN 0.387 nan 8.360 nan 0.000 0.507 1412 A N 1.671 124.459 122.820 -0.054 0.000 1.968 1412 A HA 0.044 4.365 4.320 0.002 0.000 0.217 1412 A C 2.436 179.999 177.584 -0.035 0.000 1.169 1412 A CA 1.209 53.185 52.037 -0.102 0.000 0.638 1412 A CB -0.861 17.976 19.000 -0.271 0.000 0.812 1412 A HN 0.419 nan 8.150 nan 0.000 0.446 1413 G N -0.830 107.976 108.800 0.010 0.000 2.421 1413 G HA2 0.128 4.090 3.960 0.002 0.000 0.217 1413 G HA3 0.128 4.090 3.960 0.002 0.000 0.217 1413 G C 1.529 176.462 174.900 0.055 0.000 1.143 1413 G CA 1.127 46.294 45.100 0.110 0.000 0.784 1413 G HN 0.717 nan 8.290 nan 0.000 0.541 1414 A N 0.261 123.047 122.820 -0.056 0.000 1.984 1414 A HA 0.301 4.623 4.320 0.002 0.000 0.214 1414 A C 2.315 179.626 177.584 -0.455 0.000 1.173 1414 A CA 1.465 53.307 52.037 -0.325 0.000 0.673 1414 A CB 0.037 18.668 19.000 -0.615 0.000 0.830 1414 A HN 0.203 nan 8.150 nan 0.000 0.453 1415 S N -0.336 115.172 115.700 -0.319 0.000 2.631 1415 S HA 0.412 4.884 4.470 0.002 0.000 0.217 1415 S C 0.964 175.489 174.600 -0.126 0.000 0.958 1415 S CA 0.473 58.495 58.200 -0.296 0.000 0.920 1415 S CB -0.203 62.860 63.200 -0.229 0.000 0.776 1415 S HN 1.488 nan 8.310 nan 0.000 0.517 1416 A N 1.979 124.761 122.820 -0.063 0.000 2.415 1416 A HA -0.219 4.102 4.320 0.002 0.000 0.292 1416 A C 0.260 177.828 177.584 -0.027 0.000 1.452 1416 A CA 0.599 52.631 52.037 -0.007 0.000 0.750 1416 A CB -1.663 17.388 19.000 0.084 0.000 1.099 1416 A HN 0.590 nan 8.150 nan 0.000 0.391 1417 E N -1.438 118.771 120.200 0.016 0.000 2.415 1417 E HA 0.326 4.678 4.350 0.002 0.000 0.262 1417 E C -0.053 176.547 176.600 -0.001 0.000 1.038 1417 E CA -0.180 56.242 56.400 0.036 0.000 0.921 1417 E CB 0.638 30.396 29.700 0.096 0.000 0.950 1417 E HN 0.615 nan 8.360 nan 0.000 0.438 1418 L N 2.905 124.112 121.223 -0.027 0.000 2.322 1418 L HA 0.293 4.634 4.340 0.002 0.000 0.281 1418 L C -0.786 176.056 176.870 -0.045 0.000 1.014 1418 L CA -0.298 54.493 54.840 -0.082 0.000 0.815 1418 L CB 1.624 43.638 42.059 -0.076 0.000 1.247 1418 L HN 0.359 nan 8.230 nan 0.000 0.421 1419 D N 2.771 123.117 120.400 -0.089 0.000 2.344 1419 D HA 0.153 4.795 4.640 0.002 0.000 0.239 1419 D C -0.059 176.209 176.300 -0.053 0.000 1.064 1419 D CA -0.227 53.744 54.000 -0.047 0.000 0.829 1419 D CB 1.642 42.417 40.800 -0.041 0.000 1.129 1419 D HN 0.602 nan 8.370 nan 0.000 0.506 1420 D N 1.878 122.265 120.400 -0.022 0.000 2.144 1420 D HA -0.093 4.549 4.640 0.002 0.000 0.200 1420 D C 0.943 177.233 176.300 -0.017 0.000 0.978 1420 D CA 0.658 54.648 54.000 -0.016 0.000 0.833 1420 D CB -0.046 40.754 40.800 0.000 0.000 0.961 1420 D HN 0.554 nan 8.370 nan 0.000 0.470 1421 C N 0.031 119.323 119.300 -0.013 0.000 4.529 1421 C HA -0.153 4.309 4.460 0.002 0.000 0.296 1421 C C 1.373 176.360 174.990 -0.004 0.000 1.353 1421 C CA -0.162 58.849 59.018 -0.013 0.000 2.011 1421 C CB -2.755 24.968 27.740 -0.027 0.000 1.235 1421 C HN 0.404 nan 8.230 nan 0.000 0.784 1422 R N 0.301 120.805 120.500 0.006 0.000 2.334 1422 R HA 0.287 4.628 4.340 0.002 0.000 0.212 1422 R C 1.225 177.532 176.300 0.012 0.000 0.897 1422 R CA 0.676 56.785 56.100 0.015 0.000 1.056 1422 R CB 0.441 30.760 30.300 0.031 0.000 1.046 1422 R HN 0.604 nan 8.270 nan 0.000 0.513 1423 G N 0.072 108.877 108.800 0.009 0.000 2.400 1423 G HA2 0.308 4.269 3.960 0.002 0.000 0.301 1423 G HA3 0.308 4.269 3.960 0.002 0.000 0.301 1423 G C 1.086 175.985 174.900 -0.002 0.000 1.154 1423 G CA -0.661 44.443 45.100 0.007 0.000 0.852 1423 G HN -0.138 nan 8.290 nan 0.000 0.511 1424 V N 2.185 122.093 119.914 -0.009 0.000 2.215 1424 V HA -0.248 3.873 4.120 0.002 0.000 0.246 1424 V C 3.006 179.097 176.094 -0.005 0.000 1.047 1424 V CA 2.577 64.868 62.300 -0.016 0.000 0.999 1424 V CB -1.143 30.667 31.823 -0.022 0.000 0.635 1424 V HN 0.719 nan 8.190 nan 0.000 0.450 1425 S N -0.370 115.333 115.700 0.006 0.000 2.413 1425 S HA -0.332 4.139 4.470 0.002 0.000 0.237 1425 S C 1.872 176.482 174.600 0.018 0.000 1.044 1425 S CA 2.188 60.398 58.200 0.017 0.000 1.024 1425 S CB -0.516 62.703 63.200 0.033 0.000 0.829 1425 S HN 0.738 nan 8.310 nan 0.000 0.475 1426 E N 0.907 121.117 120.200 0.017 0.000 2.150 1426 E HA -0.020 4.331 4.350 0.002 0.000 0.193 1426 E C 1.671 178.274 176.600 0.005 0.000 0.985 1426 E CA 0.778 57.188 56.400 0.017 0.000 0.814 1426 E CB -0.047 29.663 29.700 0.015 0.000 0.752 1426 E HN 0.409 nan 8.360 nan 0.000 0.466 1427 N N -0.101 118.597 118.700 -0.003 0.000 2.373 1427 N HA -0.019 4.723 4.740 0.002 0.000 0.181 1427 N C 1.601 177.105 175.510 -0.010 0.000 1.082 1427 N CA 0.304 53.348 53.050 -0.011 0.000 0.885 1427 N CB 0.552 39.028 38.487 -0.019 0.000 0.977 1427 N HN 0.011 nan 8.380 nan 0.000 0.462 1428 V N 1.527 121.437 119.914 -0.005 0.000 2.307 1428 V HA -0.134 3.987 4.120 0.002 0.000 0.245 1428 V C 2.241 178.336 176.094 0.001 0.000 1.045 1428 V CA 1.168 63.465 62.300 -0.004 0.000 1.024 1428 V CB -0.236 31.586 31.823 -0.001 0.000 0.651 1428 V HN 0.139 nan 8.190 nan 0.000 0.449 1429 I N -0.443 120.131 120.570 0.006 0.000 2.179 1429 I HA -0.235 3.936 4.170 0.002 0.000 0.242 1429 I C 2.111 178.231 176.117 0.006 0.000 1.088 1429 I CA 1.599 62.905 61.300 0.010 0.000 1.357 1429 I CB -0.235 37.777 38.000 0.020 0.000 1.051 1429 I HN 0.216 nan 8.210 nan 0.000 0.409 1430 L N 0.626 121.850 121.223 0.002 0.000 2.551 1430 L HA 0.024 4.365 4.340 0.002 0.000 0.228 1430 L C 1.463 178.329 176.870 -0.006 0.000 1.153 1430 L CA 0.578 55.415 54.840 -0.004 0.000 0.851 1430 L CB -0.809 41.242 42.059 -0.012 0.000 0.959 1430 L HN 0.532 nan 8.230 nan 0.000 0.451 1431 G N 0.367 109.164 108.800 -0.004 0.000 2.249 1431 G HA2 -0.294 3.667 3.960 0.002 0.000 0.273 1431 G HA3 -0.294 3.667 3.960 0.002 0.000 0.273 1431 G C 0.095 174.989 174.900 -0.009 0.000 1.036 1431 G CA 0.257 45.354 45.100 -0.005 0.000 0.824 1431 G HN 0.464 nan 8.290 nan 0.000 0.504 1432 Q N -1.390 118.401 119.800 -0.014 0.000 2.252 1432 Q HA 0.677 5.019 4.340 0.002 0.000 0.256 1432 Q C 0.568 176.552 176.000 -0.026 0.000 1.020 1432 Q CA -1.058 54.733 55.803 -0.019 0.000 0.913 1432 Q CB 1.098 29.824 28.738 -0.021 0.000 1.286 1432 Q HN 0.329 nan 8.270 nan 0.000 0.480 1433 M N 1.602 121.182 119.600 -0.033 0.000 2.156 1433 M HA 0.308 4.790 4.480 0.002 0.000 0.345 1433 M C -0.959 175.307 176.300 -0.056 0.000 1.398 1433 M CA -0.292 54.980 55.300 -0.047 0.000 1.148 1433 M CB 0.347 32.913 32.600 -0.057 0.000 1.663 1433 M HN 0.713 nan 8.290 nan 0.000 0.464 1434 A N 7.405 130.191 122.820 -0.056 0.000 2.409 1434 A HA 0.424 4.745 4.320 0.002 0.000 0.267 1434 A C -2.209 175.329 177.584 -0.076 0.000 1.127 1434 A CA -1.375 50.629 52.037 -0.055 0.000 0.795 1434 A CB -0.496 18.476 19.000 -0.047 0.000 1.061 1434 A HN 0.624 nan 8.150 nan 0.000 0.502 1435 P HA 0.019 nan 4.420 nan 0.000 0.165 1435 P C -0.886 176.349 177.300 -0.108 0.000 1.190 1435 P CA 1.235 64.285 63.100 -0.083 0.000 1.111 1435 P CB -0.640 31.032 31.700 -0.046 0.000 1.648 1436 I N -0.508 119.987 120.570 -0.125 0.000 2.619 1436 I HA 0.311 4.483 4.170 0.002 0.000 0.292 1436 I C 1.588 177.624 176.117 -0.135 0.000 1.100 1436 I CA -0.752 60.473 61.300 -0.125 0.000 1.043 1436 I CB 2.028 39.970 38.000 -0.097 0.000 1.239 1436 I HN 0.246 nan 8.210 nan 0.000 0.420 1437 G N 3.577 112.305 108.800 -0.121 0.000 2.999 1437 G HA2 -0.422 3.539 3.960 0.002 0.000 0.335 1437 G HA3 -0.422 3.539 3.960 0.002 0.000 0.335 1437 G C 1.111 175.964 174.900 -0.078 0.000 1.346 1437 G CA 1.983 47.037 45.100 -0.077 0.000 1.351 1437 G HN 0.562 nan 8.290 nan 0.000 0.902 1438 T N 1.108 115.594 114.554 -0.114 0.000 2.833 1438 T HA 0.152 4.504 4.350 0.002 0.000 0.269 1438 T C 2.092 176.495 174.700 -0.494 0.000 1.054 1438 T CA 1.950 63.933 62.100 -0.196 0.000 1.135 1438 T CB -0.340 68.464 68.868 -0.107 0.000 0.869 1438 T HN 0.877 nan 8.240 nan 0.000 0.466 1439 G N -0.210 108.374 108.800 -0.360 0.000 3.337 1439 G HA2 0.431 4.392 3.960 0.002 0.000 0.246 1439 G HA3 0.431 4.392 3.960 0.002 0.000 0.246 1439 G C 1.397 176.103 174.900 -0.324 0.000 1.131 1439 G CA 0.499 45.382 45.100 -0.361 0.000 0.773 1439 G HN 0.465 nan 8.290 nan 0.000 0.544 1440 A N 0.545 123.175 122.820 -0.316 0.000 1.969 1440 A HA 0.348 4.670 4.320 0.002 0.000 0.218 1440 A C 1.174 178.810 177.584 0.088 0.000 1.169 1440 A CA 0.886 52.868 52.037 -0.092 0.000 0.635 1440 A CB -0.336 18.644 19.000 -0.034 0.000 0.810 1440 A HN 0.508 nan 8.150 nan 0.000 0.445 1441 F N -2.345 117.694 119.950 0.148 0.000 2.809 1441 F HA 0.806 5.334 4.527 0.002 0.000 0.347 1441 F C -0.246 175.585 175.800 0.052 0.000 1.306 1441 F CA -1.542 56.536 58.000 0.131 0.000 1.084 1441 F CB 0.292 39.373 39.000 0.136 0.000 1.761 1441 F HN -0.093 nan 8.300 nan 0.000 0.485 1442 D N -0.575 120.076 120.400 0.418 0.000 2.736 1442 D HA 0.467 5.109 4.640 0.002 0.000 0.223 1442 D C -1.833 174.623 176.300 0.262 0.000 1.231 1442 D CA -0.189 53.937 54.000 0.210 0.000 0.818 1442 D CB 3.198 44.063 40.800 0.108 0.000 1.587 1442 D HN 0.374 nan 8.370 nan 0.000 0.463 1443 V N 3.617 123.629 119.914 0.164 0.000 2.448 1443 V HA 0.586 4.707 4.120 0.002 0.000 0.295 1443 V C 0.191 176.326 176.094 0.069 0.000 1.025 1443 V CA -0.312 62.065 62.300 0.129 0.000 0.859 1443 V CB 1.657 33.566 31.823 0.143 0.000 0.988 1443 V HN 0.537 nan 8.190 nan 0.000 0.431 1444 M N 3.889 123.518 119.600 0.049 0.000 2.667 1444 M HA 0.616 5.097 4.480 0.002 0.000 0.286 1444 M C -1.314 174.999 176.300 0.021 0.000 1.270 1444 M CA -0.685 54.633 55.300 0.030 0.000 0.826 1444 M CB 2.618 35.233 32.600 0.024 0.000 1.743 1444 M HN 0.397 nan 8.290 nan 0.000 0.460 1445 I N 0.000 120.580 120.570 0.016 0.000 2.984 1445 I HA 0.000 4.171 4.170 0.002 0.000 0.288 1445 I CA 0.000 61.307 61.300 0.012 0.000 1.566 1445 I CB 0.000 38.008 38.000 0.013 0.000 1.214 1445 I HN 0.000 nan 8.210 nan 0.000 0.494