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 2fge_1_B DATA FIRST_RESID 15 DATA SEQUENCE DEAEKLGFEK VSEEFISECK SKAILFKHKK TGCEVXSVSN EDENKVFGVV DATA SEQUENCE FRTPPKDSTG IPHILQHSVL CGSRKYPVKE PFVELLKGSL HTFLNAFTYP DATA SEQUENCE DRTCYPVAST NTKDFYNLVD VYLDAVFFPK CVDDAHTFQQ EGWHYELNDP DATA SEQUENCE SEDISYKGVV FNEXKGVYSQ PDNILGRIAQ QALSPENTYG VDSGGDPKDI DATA SEQUENCE PNLTFEEFKE FHRQYYHPSN ARIWFYGDDD PVHRLRVLSE YLDXFEASPS DATA SEQUENCE PNSSKIKFQK LFSEPVRLVE KYPAGRDGDL KKKHXLCVNW LLSEKPLDLQ DATA SEQUENCE TQLALGFLDH LXLGTPASPL RKILLESGLG EALVSSGLSD ELLQPQFGIG DATA SEQUENCE LKGVSEENVQ KVEELIXDTL KKLAEEGFDN DAVEASXNTI EFSLRENNTG DATA SEQUENCE SFPRGLSLXL QSISKWIYDX DPFEPLKYTE PLKALKTRIA EEGSKAVFSP DATA SEQUENCE LIEKLILNNS HRVTIEXQPD PEKATQEEVE EKNILEKVKA AXTEEDLAEL DATA SEQUENCE ARATEELKLK QETPDPPEAL RCVPSLNLGD IPKEPTYVPT EVGDINGVKV DATA SEQUENCE LRHDLFTNDI IYTEVVFDIG SLKHELLPLV PLFCQSLLEX GTKDLTFVQL DATA SEQUENCE NQLIGRKTGG ISVYPLTSSV RGKDEPCSKI IVRGKSXAGR ADDLFNLXNC DATA SEQUENCE LLQEVQFTDQ QRFKQFVSQS RARXENRLRG SGHGIAAARX DAXLNIAGWX DATA SEQUENCE SEQXGGLSYL EFLHTLEKKV DEDWEGISSS LEEIRRSLLA RNGCIVNXTA DATA SEQUENCE DGKSLTNVEK SVAKFLDLLP ENPSGGLVTW DGRLPLRNEA IVIPTQVNYV DATA SEQUENCE GKAGNIYSTG YELDGSAYVI SKHISNTWLW DRVRVSGGAY GGFCDFDSHS DATA SEQUENCE GVFSYLSYRD PNLLKTLDIY DGTGDFLRGL DVDQETLTKA IIGTIGDVDS DATA SEQUENCE YQLPDAKGYS SLLRHLLGVT DEERQRKREE ILTTSLKDFK DFAQAIDVVR DATA SEQUENCE DKGVAVAVAS AEDIDAANNE RSNFFEVKK 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 15 D HA 0.000 nan 4.640 nan 0.000 0.175 15 D C 0.000 176.336 176.300 0.060 0.000 2.045 15 D CA 0.000 54.038 54.000 0.064 0.000 0.868 15 D CB 0.000 40.829 40.800 0.048 0.000 0.688 16 E N 1.313 121.545 120.200 0.054 0.000 2.170 16 E HA 0.250 4.600 4.350 -0.000 0.000 0.191 16 E C 1.969 178.594 176.600 0.041 0.000 0.981 16 E CA 0.838 57.261 56.400 0.039 0.000 0.830 16 E CB 0.044 29.757 29.700 0.022 0.000 0.775 16 E HN 0.239 nan 8.360 nan 0.000 0.470 17 A N 2.386 125.234 122.820 0.046 0.000 1.883 17 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 17 A C 2.170 179.850 177.584 0.160 0.000 1.186 17 A CA 1.611 53.670 52.037 0.038 0.000 0.624 17 A CB -0.413 18.631 19.000 0.074 0.000 0.822 17 A HN 0.148 nan 8.150 nan 0.000 0.444 18 E N -0.239 120.049 120.200 0.146 0.000 2.058 18 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 18 E C 2.015 178.667 176.600 0.087 0.000 0.997 18 E CA 1.449 57.922 56.400 0.122 0.000 0.801 18 E CB -0.355 29.401 29.700 0.093 0.000 0.746 18 E HN 0.699 nan 8.360 nan 0.000 0.450 19 K N 0.730 121.174 120.400 0.073 0.000 2.152 19 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 19 K C 2.033 178.675 176.600 0.069 0.000 1.048 19 K CA 0.737 57.056 56.287 0.054 0.000 0.933 19 K CB -0.028 32.497 32.500 0.042 0.000 0.721 19 K HN 0.082 nan 8.250 nan 0.000 0.447 20 L N -0.733 120.561 121.223 0.119 0.000 2.591 20 L HA 0.110 4.450 4.340 -0.000 0.000 0.228 20 L C 0.957 177.969 176.870 0.237 0.000 1.133 20 L CA 0.501 55.454 54.840 0.189 0.000 0.880 20 L CB 0.503 42.684 42.059 0.205 0.000 1.033 20 L HN 0.520 nan 8.230 nan 0.000 0.450 21 G N -0.702 108.159 108.800 0.102 0.000 2.143 21 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.175 21 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.175 21 G C -0.187 174.465 174.900 -0.413 0.000 1.004 21 G CA -0.678 44.304 45.100 -0.195 0.000 0.671 21 G HN 0.121 nan 8.290 nan 0.000 0.512 22 F N 0.458 120.434 119.950 0.045 0.000 2.532 22 F HA 0.663 5.190 4.527 -0.000 0.000 0.321 22 F C 0.309 176.219 175.800 0.184 0.000 1.089 22 F CA -1.062 57.007 58.000 0.114 0.000 0.926 22 F CB 2.002 41.018 39.000 0.026 0.000 1.168 22 F HN 0.045 nan 8.300 nan 0.000 0.459 23 E N 2.732 123.176 120.200 0.407 0.000 2.156 23 E HA 0.178 4.528 4.350 -0.000 0.000 0.279 23 E C -0.761 176.078 176.600 0.399 0.000 0.965 23 E CA -0.799 55.787 56.400 0.311 0.000 0.789 23 E CB 1.038 30.853 29.700 0.193 0.000 1.098 23 E HN 0.478 nan 8.360 nan 0.000 0.397 24 K N 3.974 124.552 120.400 0.296 0.000 2.349 24 K HA 0.095 4.415 4.320 -0.000 0.000 0.289 24 K C 0.183 176.796 176.600 0.021 0.000 1.064 24 K CA -0.222 56.097 56.287 0.054 0.000 0.947 24 K CB 0.824 33.325 32.500 0.000 0.000 1.007 24 K HN 0.381 nan 8.250 nan 0.000 0.478 25 V N 2.165 122.071 119.914 -0.014 0.000 2.521 25 V HA 0.037 4.157 4.120 -0.000 0.000 0.239 25 V C 0.526 176.618 176.094 -0.003 0.000 1.053 25 V CA 0.660 62.980 62.300 0.034 0.000 1.073 25 V CB 0.827 32.704 31.823 0.090 0.000 0.746 25 V HN 0.825 nan 8.190 nan 0.000 0.476 26 S N -0.452 115.231 115.700 -0.029 0.000 2.550 26 S HA 0.571 5.041 4.470 -0.000 0.000 0.270 26 S C -1.808 172.723 174.600 -0.116 0.000 1.145 26 S CA -0.681 57.473 58.200 -0.076 0.000 0.852 26 S CB 1.872 65.047 63.200 -0.041 0.000 1.119 26 S HN 0.652 nan 8.310 nan 0.000 0.465 27 E N 1.832 121.896 120.200 -0.226 0.000 2.321 27 E HA 0.682 5.032 4.350 -0.000 0.000 0.278 27 E C -1.514 174.914 176.600 -0.286 0.000 0.902 27 E CA -0.940 55.342 56.400 -0.197 0.000 0.758 27 E CB 1.807 31.433 29.700 -0.124 0.000 1.213 27 E HN 0.647 nan 8.360 nan 0.000 0.426 28 E N 2.363 122.417 120.200 -0.244 0.000 2.372 28 E HA 0.365 4.715 4.350 -0.000 0.000 0.279 28 E C -1.488 175.120 176.600 0.012 0.000 0.946 28 E CA -1.056 55.243 56.400 -0.168 0.000 0.769 28 E CB 1.433 30.930 29.700 -0.337 0.000 1.230 28 E HN 0.427 nan 8.360 nan 0.000 0.442 29 F N 2.416 122.317 119.950 -0.081 0.000 2.427 29 F HA 0.448 4.975 4.527 -0.000 0.000 0.352 29 F C -0.670 175.110 175.800 -0.034 0.000 1.100 29 F CA -0.536 57.438 58.000 -0.043 0.000 1.191 29 F CB 0.600 39.573 39.000 -0.046 0.000 1.128 29 F HN 0.410 nan 8.300 nan 0.000 0.533 30 I N 6.342 126.505 120.570 -0.678 0.000 2.390 30 I HA 0.114 4.284 4.170 -0.000 0.000 0.283 30 I C 0.912 176.599 176.117 -0.718 0.000 1.016 30 I CA -0.231 60.787 61.300 -0.469 0.000 1.151 30 I CB 1.605 39.481 38.000 -0.207 0.000 1.293 30 I HN 0.762 nan 8.210 nan 0.000 0.458 31 S N 2.792 118.202 115.700 -0.483 0.000 2.399 31 S HA -0.174 4.296 4.470 -0.000 0.000 0.231 31 S C 1.517 175.986 174.600 -0.217 0.000 1.022 31 S CA 0.889 58.916 58.200 -0.288 0.000 0.983 31 S CB -0.175 63.016 63.200 -0.016 0.000 0.803 31 S HN 0.647 nan 8.310 nan 0.000 0.480 32 E N 1.033 121.076 120.200 -0.261 0.000 2.114 32 E HA -0.150 4.200 4.350 -0.000 0.000 0.199 32 E C 1.851 178.403 176.600 -0.081 0.000 1.008 32 E CA 1.632 57.876 56.400 -0.261 0.000 0.810 32 E CB -0.484 28.934 29.700 -0.470 0.000 0.739 32 E HN 0.940 nan 8.360 nan 0.000 0.456 33 C N -1.265 117.982 119.300 -0.089 0.000 2.849 33 C HA 0.427 4.887 4.460 -0.000 0.000 0.271 33 C C -0.331 174.625 174.990 -0.057 0.000 1.519 33 C CA -1.137 57.889 59.018 0.013 0.000 1.783 33 C CB -0.239 27.575 27.740 0.124 0.000 2.869 33 C HN 0.018 nan 8.230 nan 0.000 0.527 34 K N 1.558 121.864 120.400 -0.157 0.000 3.356 34 K HA -0.166 4.154 4.320 -0.000 0.000 0.270 34 K C -0.085 176.410 176.600 -0.175 0.000 0.901 34 K CA 1.008 57.202 56.287 -0.155 0.000 0.688 34 K CB -1.747 30.786 32.500 0.055 0.000 1.460 34 K HN 0.782 nan 8.250 nan 0.000 0.458 35 S N 0.110 115.554 115.700 -0.427 0.000 2.599 35 S HA 0.529 4.998 4.470 -0.000 0.000 0.294 35 S C -0.458 174.022 174.600 -0.201 0.000 1.094 35 S CA -0.998 57.072 58.200 -0.218 0.000 0.931 35 S CB 2.607 65.721 63.200 -0.144 0.000 1.093 35 S HN 0.228 nan 8.310 nan 0.000 0.488 36 K N 1.939 122.351 120.400 0.021 0.000 2.316 36 K HA 0.705 5.025 4.320 -0.000 0.000 0.267 36 K C -0.866 175.750 176.600 0.027 0.000 1.025 36 K CA -0.490 55.858 56.287 0.101 0.000 0.896 36 K CB 0.777 33.362 32.500 0.142 0.000 1.124 36 K HN 0.658 nan 8.250 nan 0.000 0.451 37 A N 5.712 128.571 122.820 0.065 0.000 2.292 37 A HA 0.729 5.049 4.320 -0.000 0.000 0.319 37 A C -0.753 176.934 177.584 0.171 0.000 1.206 37 A CA -0.717 51.382 52.037 0.104 0.000 0.835 37 A CB 0.190 19.332 19.000 0.235 0.000 1.164 37 A HN 0.749 nan 8.150 nan 0.000 0.505 38 I N 2.758 123.345 120.570 0.028 0.000 2.466 38 I HA 0.270 4.440 4.170 -0.000 0.000 0.289 38 I C -0.957 175.048 176.117 -0.186 0.000 1.026 38 I CA -0.699 60.528 61.300 -0.122 0.000 1.078 38 I CB 1.954 39.751 38.000 -0.338 0.000 1.249 38 I HN 0.590 nan 8.210 nan 0.000 0.429 39 L N 7.209 128.379 121.223 -0.088 0.000 2.264 39 L HA 0.578 4.918 4.340 -0.000 0.000 0.289 39 L C -1.324 175.444 176.870 -0.170 0.000 1.044 39 L CA 0.420 55.206 54.840 -0.091 0.000 0.807 39 L CB 0.378 42.438 42.059 0.002 0.000 1.192 39 L HN 0.256 nan 8.230 nan 0.000 0.425 40 F N 4.027 124.073 119.950 0.161 0.000 2.523 40 F HA 0.601 5.128 4.527 -0.000 0.000 0.329 40 F C 0.049 176.035 175.800 0.310 0.000 1.061 40 F CA -0.587 57.551 58.000 0.231 0.000 0.967 40 F CB 1.597 40.731 39.000 0.224 0.000 1.218 40 F HN 0.384 nan 8.300 nan 0.000 0.480 41 K N 1.054 121.781 120.400 0.544 0.000 2.397 41 K HA 0.213 4.533 4.320 -0.000 0.000 0.253 41 K C -1.063 175.772 176.600 0.392 0.000 0.932 41 K CA -0.642 55.897 56.287 0.421 0.000 0.795 41 K CB 1.054 33.715 32.500 0.268 0.000 1.159 41 K HN 0.793 nan 8.250 nan 0.000 0.424 42 H N 5.072 124.248 119.070 0.176 0.000 3.082 42 H HA 0.026 4.582 4.556 -0.000 0.000 0.275 42 H C 0.263 175.527 175.328 -0.108 0.000 1.032 42 H CA 0.674 56.588 56.048 -0.223 0.000 1.477 42 H CB 0.871 30.492 29.762 -0.235 0.000 1.520 42 H HN 0.671 nan 8.280 nan 0.000 0.521 43 K N 3.463 123.637 120.400 -0.376 0.000 2.127 43 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 43 K C 2.004 178.464 176.600 -0.234 0.000 1.047 43 K CA 1.120 57.270 56.287 -0.229 0.000 0.927 43 K CB 0.244 32.620 32.500 -0.206 0.000 0.716 43 K HN 0.507 nan 8.250 nan 0.000 0.450 44 K N 0.155 120.282 120.400 -0.454 0.000 2.044 44 K HA -0.059 4.261 4.320 -0.000 0.000 0.204 44 K C 2.213 178.817 176.600 0.007 0.000 1.049 44 K CA 1.816 57.973 56.287 -0.217 0.000 0.945 44 K CB 0.052 32.392 32.500 -0.267 0.000 0.724 44 K HN 0.317 nan 8.250 nan 0.000 0.440 45 T N -3.914 110.733 114.554 0.154 0.000 3.037 45 T HA 0.173 4.523 4.350 -0.000 0.000 0.252 45 T C 1.355 176.147 174.700 0.154 0.000 1.073 45 T CA 0.846 63.076 62.100 0.217 0.000 1.091 45 T CB 0.552 69.572 68.868 0.253 0.000 0.935 45 T HN 0.324 nan 8.240 nan 0.000 0.488 46 G N 0.590 109.472 108.800 0.137 0.000 2.176 46 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.253 46 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.253 46 G C 0.481 175.483 174.900 0.170 0.000 0.979 46 G CA -0.134 45.045 45.100 0.132 0.000 0.641 46 G HN 0.936 nan 8.290 nan 0.000 0.530 47 C N 2.220 121.634 119.300 0.190 0.000 2.523 47 C HA 0.447 4.907 4.460 -0.000 0.000 0.406 47 C C 0.971 176.129 174.990 0.279 0.000 1.449 47 C CA -0.060 59.064 59.018 0.177 0.000 1.588 47 C CB -0.786 27.028 27.740 0.123 0.000 2.514 47 C HN 0.490 nan 8.230 nan 0.000 0.606 48 E N 3.865 124.224 120.200 0.265 0.000 2.249 48 E HA 0.599 4.949 4.350 -0.000 0.000 0.280 48 E C -0.363 176.551 176.600 0.523 0.000 1.016 48 E CA -0.511 56.147 56.400 0.429 0.000 0.830 48 E CB 1.555 31.586 29.700 0.552 0.000 1.081 48 E HN 0.613 nan 8.360 nan 0.000 0.395 52 V N 4.278 124.039 119.914 -0.255 0.000 2.370 52 V HA 0.656 4.776 4.120 -0.000 0.000 0.283 52 V C 0.199 176.154 176.094 -0.231 0.000 1.023 52 V CA -0.482 61.666 62.300 -0.254 0.000 0.857 52 V CB 1.496 33.111 31.823 -0.347 0.000 0.985 52 V HN 0.826 nan 8.190 nan 0.000 0.443 53 S N 4.988 120.591 115.700 -0.162 0.000 2.482 53 S HA 0.825 5.295 4.470 -0.000 0.000 0.303 53 S C -0.334 174.174 174.600 -0.153 0.000 1.091 53 S CA -0.783 57.328 58.200 -0.149 0.000 1.057 53 S CB 1.620 64.785 63.200 -0.057 0.000 1.031 53 S HN 1.067 nan 8.310 nan 0.000 0.485 54 N N 0.820 119.404 118.700 -0.192 0.000 3.387 54 N HA 0.210 4.950 4.740 -0.000 0.000 0.294 54 N C -0.875 174.558 175.510 -0.129 0.000 1.519 54 N CA -0.884 52.077 53.050 -0.148 0.000 0.875 54 N CB 0.301 38.656 38.487 -0.220 0.000 1.657 54 N HN 0.395 nan 8.380 nan 0.000 0.527 55 E N -1.098 119.053 120.200 -0.081 0.000 2.465 55 E HA 0.069 4.419 4.350 -0.000 0.000 0.191 55 E C -0.819 175.749 176.600 -0.053 0.000 1.053 55 E CA -0.102 56.267 56.400 -0.053 0.000 0.869 55 E CB 0.074 29.763 29.700 -0.018 0.000 0.977 55 E HN 0.350 nan 8.360 nan 0.000 0.483 56 D N 1.966 122.306 120.400 -0.100 0.000 2.339 56 D HA -0.057 4.583 4.640 -0.000 0.000 0.256 56 D C 1.039 177.279 176.300 -0.099 0.000 1.214 56 D CA 0.145 54.113 54.000 -0.052 0.000 0.877 56 D CB 0.853 41.657 40.800 0.007 0.000 1.111 56 D HN 0.237 nan 8.370 nan 0.000 0.478 57 E N 2.696 122.850 120.200 -0.076 0.000 2.371 57 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 57 E C 0.079 176.546 176.600 -0.222 0.000 1.012 57 E CA -0.139 56.188 56.400 -0.121 0.000 0.860 57 E CB 0.028 29.701 29.700 -0.044 0.000 0.811 57 E HN 0.108 nan 8.360 nan 0.000 0.502 58 N N 2.236 120.750 118.700 -0.309 0.000 2.508 58 N HA 0.055 4.795 4.740 -0.000 0.000 0.253 58 N C -1.243 174.159 175.510 -0.179 0.000 1.145 58 N CA -0.052 52.761 53.050 -0.394 0.000 0.973 58 N CB 0.361 38.405 38.487 -0.738 0.000 1.305 58 N HN 0.081 nan 8.380 nan 0.000 0.506 59 K N 0.818 121.035 120.400 -0.305 0.000 2.185 59 K HA 0.454 4.774 4.320 -0.000 0.000 0.271 59 K C -0.611 175.817 176.600 -0.286 0.000 1.013 59 K CA -0.584 55.436 56.287 -0.445 0.000 0.943 59 K CB 1.403 33.202 32.500 -1.168 0.000 0.998 59 K HN 0.055 nan 8.250 nan 0.000 0.468 60 V N 3.357 123.324 119.914 0.089 0.000 2.686 60 V HA 0.441 4.561 4.120 -0.000 0.000 0.306 60 V C -1.302 175.190 176.094 0.663 0.000 1.065 60 V CA -0.926 61.604 62.300 0.383 0.000 0.894 60 V CB 1.332 33.309 31.823 0.256 0.000 1.004 60 V HN 0.704 nan 8.190 nan 0.000 0.424 61 F N 2.835 123.031 119.950 0.411 0.000 2.565 61 F HA 0.940 5.467 4.527 -0.000 0.000 0.313 61 F C 0.091 175.925 175.800 0.056 0.000 1.091 61 F CA -0.219 57.828 58.000 0.078 0.000 0.915 61 F CB 2.267 41.114 39.000 -0.255 0.000 1.208 61 F HN 0.663 nan 8.300 nan 0.000 0.453 62 G N 3.549 111.780 108.800 -0.949 0.000 2.706 62 G HA2 0.563 4.523 3.960 -0.000 0.000 0.297 62 G HA3 0.563 4.523 3.960 -0.000 0.000 0.297 62 G C -2.485 171.778 174.900 -1.062 0.000 1.403 62 G CA -0.883 43.736 45.100 -0.803 0.000 0.954 62 G HN 0.907 nan 8.290 nan 0.000 0.500 63 V N 1.537 121.048 119.914 -0.672 0.000 2.540 63 V HA 0.795 4.915 4.120 -0.000 0.000 0.302 63 V C -0.969 174.849 176.094 -0.460 0.000 1.035 63 V CA -0.510 61.459 62.300 -0.551 0.000 0.873 63 V CB 1.741 33.298 31.823 -0.443 0.000 0.992 63 V HN 0.646 nan 8.190 nan 0.000 0.428 64 V N 7.132 126.643 119.914 -0.673 0.000 2.656 64 V HA 0.623 4.743 4.120 -0.000 0.000 0.307 64 V C -0.905 174.673 176.094 -0.860 0.000 1.051 64 V CA -0.540 61.422 62.300 -0.563 0.000 0.893 64 V CB 1.817 33.370 31.823 -0.451 0.000 0.999 64 V HN 0.771 nan 8.190 nan 0.000 0.426 65 F N 2.303 122.081 119.950 -0.287 0.000 2.508 65 F HA 0.593 5.120 4.527 -0.000 0.000 0.325 65 F C 0.419 176.061 175.800 -0.264 0.000 1.090 65 F CA -0.763 57.031 58.000 -0.343 0.000 0.945 65 F CB 1.599 40.243 39.000 -0.592 0.000 1.156 65 F HN 0.291 nan 8.300 nan 0.000 0.463 66 R N 1.520 121.974 120.500 -0.077 0.000 2.210 66 R HA 0.309 4.649 4.340 -0.000 0.000 0.338 66 R C -0.664 175.523 176.300 -0.188 0.000 1.062 66 R CA 0.082 56.104 56.100 -0.129 0.000 0.902 66 R CB 0.266 30.480 30.300 -0.143 0.000 1.050 66 R HN 0.860 nan 8.270 nan 0.000 0.461 67 T N 2.211 116.660 114.554 -0.174 0.000 3.585 67 T HA 0.302 4.652 4.350 -0.000 0.000 0.252 67 T C -2.526 172.115 174.700 -0.098 0.000 1.382 67 T CA -1.725 60.242 62.100 -0.222 0.000 1.584 67 T CB 0.980 69.972 68.868 0.207 0.000 0.892 67 T HN 0.407 nan 8.240 nan 0.000 0.671 68 P HA 0.307 nan 4.420 nan 0.000 0.276 68 P C -2.475 174.857 177.300 0.054 0.000 1.264 68 P CA -1.336 61.715 63.100 -0.083 0.000 0.769 68 P CB 0.505 32.132 31.700 -0.121 0.000 0.840 69 P HA 0.087 nan 4.420 nan 0.000 0.272 69 P C 0.362 177.741 177.300 0.132 0.000 1.230 69 P CA -0.125 63.075 63.100 0.166 0.000 0.788 69 P CB 1.023 32.771 31.700 0.081 0.000 0.949 70 K N 0.478 120.975 120.400 0.162 0.000 2.358 70 K HA 0.158 4.478 4.320 -0.000 0.000 0.200 70 K C 0.258 176.911 176.600 0.089 0.000 1.030 70 K CA -0.142 56.214 56.287 0.116 0.000 1.097 70 K CB 0.298 32.878 32.500 0.133 0.000 0.862 70 K HN 0.492 nan 8.250 nan 0.000 0.534 71 D N -0.896 119.554 120.400 0.083 0.000 2.838 71 D HA 0.030 4.670 4.640 -0.000 0.000 0.334 71 D C -0.831 175.498 176.300 0.048 0.000 1.315 71 D CA -0.673 53.363 54.000 0.061 0.000 0.917 71 D CB 0.872 41.706 40.800 0.056 0.000 1.435 71 D HN -0.125 nan 8.370 nan 0.000 0.517 72 S N -0.479 115.241 115.700 0.034 0.000 2.552 72 S HA 0.123 4.593 4.470 -0.000 0.000 0.246 72 S C 1.314 175.908 174.600 -0.009 0.000 1.019 72 S CA 0.277 58.490 58.200 0.023 0.000 1.045 72 S CB -0.474 62.742 63.200 0.027 0.000 0.784 72 S HN 0.553 nan 8.310 nan 0.000 0.453 73 T N -1.506 113.049 114.554 0.001 0.000 3.088 73 T HA 0.241 4.591 4.350 -0.000 0.000 0.259 73 T C 1.576 176.282 174.700 0.011 0.000 1.122 73 T CA 0.684 62.781 62.100 -0.006 0.000 1.095 73 T CB -0.163 68.729 68.868 0.039 0.000 0.930 73 T HN 0.538 nan 8.240 nan 0.000 0.508 74 G N 1.352 110.163 108.800 0.018 0.000 2.137 74 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.237 74 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.237 74 G C 0.705 175.631 174.900 0.044 0.000 1.002 74 G CA 0.199 45.328 45.100 0.048 0.000 0.702 74 G HN 0.569 nan 8.290 nan 0.000 0.515 75 I N 0.380 120.924 120.570 -0.044 0.000 2.194 75 I HA -0.158 4.012 4.170 -0.000 0.000 0.246 75 I C 0.430 176.392 176.117 -0.259 0.000 1.093 75 I CA 1.867 63.090 61.300 -0.129 0.000 1.355 75 I CB -1.086 36.675 38.000 -0.398 0.000 1.046 75 I HN 0.197 nan 8.210 nan 0.000 0.413 76 P HA -0.193 nan 4.420 nan 0.000 0.217 76 P C 1.597 178.989 177.300 0.154 0.000 1.150 76 P CA 1.671 64.691 63.100 -0.134 0.000 0.832 76 P CB -0.218 31.472 31.700 -0.016 0.000 0.787 77 H N -0.720 118.383 119.070 0.054 0.000 2.363 77 H HA 0.007 4.563 4.556 -0.000 0.000 0.301 77 H C 1.929 177.397 175.328 0.233 0.000 1.074 77 H CA 0.808 56.938 56.048 0.137 0.000 1.354 77 H CB -0.180 29.641 29.762 0.099 0.000 1.397 77 H HN -0.012 nan 8.280 nan 0.000 0.516 78 I N 0.392 121.070 120.570 0.180 0.000 2.179 78 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 78 I C 2.487 178.833 176.117 0.381 0.000 1.088 78 I CA 0.555 61.957 61.300 0.171 0.000 1.357 78 I CB -0.145 37.968 38.000 0.188 0.000 1.051 78 I HN 0.259 nan 8.210 nan 0.000 0.409 79 L N 0.691 122.146 121.223 0.387 0.000 2.042 79 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 79 L C 2.581 179.594 176.870 0.239 0.000 1.076 79 L CA 1.871 56.867 54.840 0.261 0.000 0.749 79 L CB -0.959 41.072 42.059 -0.048 0.000 0.893 79 L HN 0.303 nan 8.230 nan 0.000 0.432 80 Q N -1.092 118.887 119.800 0.299 0.000 2.112 80 Q HA -0.279 4.061 4.340 -0.000 0.000 0.206 80 Q C 2.190 178.309 176.000 0.198 0.000 0.987 80 Q CA 2.132 58.123 55.803 0.314 0.000 0.858 80 Q CB -0.336 28.536 28.738 0.223 0.000 0.905 80 Q HN 0.683 nan 8.270 nan 0.000 0.420 81 H N -0.604 118.552 119.070 0.144 0.000 2.357 81 H HA -0.023 4.533 4.556 -0.000 0.000 0.301 81 H C 2.366 177.756 175.328 0.103 0.000 1.082 81 H CA 1.627 57.721 56.048 0.077 0.000 1.342 81 H CB 0.207 29.980 29.762 0.018 0.000 1.389 81 H HN 0.278 nan 8.280 nan 0.000 0.511 82 S N 0.652 116.529 115.700 0.294 0.000 2.383 82 S HA -0.116 4.354 4.470 -0.000 0.000 0.227 82 S C 2.519 177.232 174.600 0.188 0.000 1.026 82 S CA 1.154 59.520 58.200 0.277 0.000 0.981 82 S CB -0.431 63.057 63.200 0.479 0.000 0.818 82 S HN 0.416 nan 8.310 nan 0.000 0.472 83 V N 0.482 120.464 119.914 0.114 0.000 2.720 83 V HA 0.014 4.134 4.120 -0.000 0.000 0.256 83 V C 1.472 177.575 176.094 0.016 0.000 1.082 83 V CA 1.479 63.783 62.300 0.007 0.000 1.101 83 V CB -0.996 30.762 31.823 -0.108 0.000 0.693 83 V HN 0.465 nan 8.190 nan 0.000 0.479 84 L N -0.512 120.736 121.223 0.042 0.000 2.612 84 L HA 0.195 4.535 4.340 -0.000 0.000 0.230 84 L C 1.177 178.127 176.870 0.133 0.000 1.140 84 L CA -0.057 54.812 54.840 0.049 0.000 0.896 84 L CB -0.254 41.789 42.059 -0.027 0.000 1.065 84 L HN 0.351 nan 8.230 nan 0.000 0.447 85 C N 1.293 120.681 119.300 0.146 0.000 2.395 85 C HA 0.661 5.121 4.460 -0.000 0.000 0.315 85 C C 1.086 176.171 174.990 0.157 0.000 1.399 85 C CA -0.543 58.579 59.018 0.173 0.000 1.788 85 C CB -1.414 26.442 27.740 0.193 0.000 2.564 85 C HN 0.652 nan 8.230 nan 0.000 0.552 86 G N 0.989 109.880 108.800 0.151 0.000 2.627 86 G HA2 0.354 4.314 3.960 -0.000 0.000 0.680 86 G HA3 0.354 4.314 3.960 -0.000 0.000 0.680 86 G C -0.727 174.273 174.900 0.167 0.000 1.341 86 G CA -0.048 45.147 45.100 0.158 0.000 0.835 86 G HN 0.897 nan 8.290 nan 0.000 0.643 87 S N 1.312 117.136 115.700 0.207 0.000 2.656 87 S HA 0.747 5.216 4.470 -0.000 0.000 0.273 87 S C 1.168 175.886 174.600 0.197 0.000 1.168 87 S CA 0.264 58.602 58.200 0.229 0.000 0.817 87 S CB 1.858 65.239 63.200 0.301 0.000 1.146 87 S HN 1.087 nan 8.310 nan 0.000 0.475 88 R N 1.109 121.729 120.500 0.200 0.000 2.249 88 R HA -0.200 4.140 4.340 -0.000 0.000 0.229 88 R C 1.462 177.749 176.300 -0.021 0.000 1.104 88 R CA 2.518 58.668 56.100 0.082 0.000 0.876 88 R CB -0.755 29.579 30.300 0.056 0.000 0.871 88 R HN 0.798 nan 8.270 nan 0.000 0.426 89 K N -0.941 119.391 120.400 -0.113 0.000 2.486 89 K HA -0.086 4.234 4.320 -0.000 0.000 0.194 89 K C -0.131 176.080 176.600 -0.647 0.000 1.033 89 K CA 0.652 56.681 56.287 -0.430 0.000 1.004 89 K CB 0.220 32.347 32.500 -0.621 0.000 0.798 89 K HN 0.331 nan 8.250 nan 0.000 0.495 90 Y N 0.586 120.947 120.300 0.102 0.000 2.584 90 Y HA 0.236 4.786 4.550 -0.000 0.000 0.358 90 Y C -2.541 173.408 175.900 0.082 0.000 1.028 90 Y CA -2.971 55.184 58.100 0.092 0.000 1.148 90 Y CB 0.938 39.462 38.460 0.107 0.000 1.126 90 Y HN -0.054 nan 8.280 nan 0.000 0.658 91 P HA 0.144 nan 4.420 nan 0.000 0.219 91 P C -0.371 176.991 177.300 0.104 0.000 1.832 91 P CA -0.025 63.140 63.100 0.108 0.000 1.014 91 P CB 0.221 31.956 31.700 0.058 0.000 1.939 92 V N -1.461 118.531 119.914 0.130 0.000 3.019 92 V HA 0.449 4.569 4.120 -0.000 0.000 0.317 92 V C 1.528 177.685 176.094 0.105 0.000 1.094 92 V CA -1.082 61.282 62.300 0.107 0.000 1.000 92 V CB 2.071 33.962 31.823 0.113 0.000 1.060 92 V HN -0.093 nan 8.190 nan 0.000 0.443 93 K N 0.196 120.652 120.400 0.093 0.000 2.089 93 K HA -0.077 4.243 4.320 -0.000 0.000 0.210 93 K C 0.288 176.977 176.600 0.147 0.000 1.048 93 K CA 2.280 58.633 56.287 0.109 0.000 0.926 93 K CB -0.034 32.534 32.500 0.112 0.000 0.714 93 K HN 0.833 nan 8.250 nan 0.000 0.448 94 E N -1.202 119.079 120.200 0.134 0.000 2.759 94 E HA 0.086 4.436 4.350 -0.000 0.000 0.318 94 E C -2.406 174.254 176.600 0.100 0.000 1.093 94 E CA -1.218 55.272 56.400 0.150 0.000 0.762 94 E CB 1.783 31.592 29.700 0.182 0.000 1.543 94 E HN -0.080 nan 8.360 nan 0.000 0.381 95 P HA -0.178 nan 4.420 nan 0.000 0.218 95 P C 1.086 178.403 177.300 0.028 0.000 1.148 95 P CA 0.788 63.919 63.100 0.051 0.000 0.822 95 P CB 0.109 31.839 31.700 0.049 0.000 0.784 96 F N 0.574 120.501 119.950 -0.039 0.000 2.095 96 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 96 F C 1.931 177.634 175.800 -0.162 0.000 1.104 96 F CA 1.544 59.513 58.000 -0.051 0.000 1.232 96 F CB -0.840 38.154 39.000 -0.011 0.000 0.987 96 F HN -0.293 nan 8.300 nan 0.000 0.475 97 V N 0.376 120.181 119.914 -0.182 0.000 2.407 97 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 97 V C 2.351 178.248 176.094 -0.329 0.000 1.055 97 V CA 1.916 63.936 62.300 -0.467 0.000 1.049 97 V CB -0.779 30.631 31.823 -0.689 0.000 0.662 97 V HN 0.274 nan 8.190 nan 0.000 0.455 98 E N 0.440 120.527 120.200 -0.189 0.000 2.118 98 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 98 E C 2.181 178.700 176.600 -0.135 0.000 0.992 98 E CA 1.179 57.511 56.400 -0.114 0.000 0.804 98 E CB -0.359 29.314 29.700 -0.046 0.000 0.741 98 E HN 0.536 nan 8.360 nan 0.000 0.458 99 L N -0.063 121.030 121.223 -0.216 0.000 2.156 99 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 99 L C 2.421 179.144 176.870 -0.245 0.000 1.095 99 L CA 0.247 54.953 54.840 -0.223 0.000 0.770 99 L CB -0.320 41.567 42.059 -0.288 0.000 0.914 99 L HN 0.119 nan 8.230 nan 0.000 0.439 100 L N 0.211 121.189 121.223 -0.408 0.000 2.017 100 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 100 L C 2.580 179.406 176.870 -0.074 0.000 1.073 100 L CA 1.819 56.482 54.840 -0.295 0.000 0.745 100 L CB -0.535 41.249 42.059 -0.458 0.000 0.894 100 L HN 0.132 nan 8.230 nan 0.000 0.432 101 K N -1.306 119.036 120.400 -0.097 0.000 2.057 101 K HA -0.033 4.287 4.320 -0.000 0.000 0.207 101 K C 1.214 177.843 176.600 0.048 0.000 1.049 101 K CA 1.321 57.608 56.287 -0.000 0.000 0.931 101 K CB -0.345 32.161 32.500 0.010 0.000 0.714 101 K HN 0.462 nan 8.250 nan 0.000 0.440 102 G N 1.176 109.995 108.800 0.031 0.000 4.552 102 G HA2 0.105 4.065 3.960 -0.000 0.000 0.281 102 G HA3 0.105 4.065 3.960 -0.000 0.000 0.281 102 G C -0.437 174.490 174.900 0.045 0.000 1.037 102 G CA -0.290 44.839 45.100 0.049 0.000 0.806 102 G HN 0.225 nan 8.290 nan 0.000 0.495 103 S N -0.767 114.971 115.700 0.064 0.000 2.671 103 S HA 0.644 5.114 4.470 -0.000 0.000 0.299 103 S C 0.309 174.929 174.600 0.033 0.000 1.116 103 S CA -0.800 57.447 58.200 0.078 0.000 0.912 103 S CB 1.676 64.940 63.200 0.106 0.000 1.130 103 S HN -0.004 nan 8.310 nan 0.000 0.501 104 L N 2.020 123.255 121.223 0.020 0.000 2.728 104 L HA 0.214 4.554 4.340 -0.000 0.000 0.235 104 L C 0.934 177.757 176.870 -0.080 0.000 1.197 104 L CA -0.549 54.261 54.840 -0.050 0.000 0.992 104 L CB -0.786 41.273 42.059 -0.000 0.000 1.263 104 L HN 0.768 nan 8.230 nan 0.000 0.484 105 H N -0.889 118.181 119.070 0.001 0.000 2.929 105 H HA -0.028 4.528 4.556 -0.000 0.000 0.358 105 H C 0.674 176.020 175.328 0.031 0.000 1.111 105 H CA 0.740 56.795 56.048 0.011 0.000 1.409 105 H CB 0.691 30.429 29.762 -0.040 0.000 1.373 105 H HN 0.177 nan 8.280 nan 0.000 0.610 106 T N -0.127 114.522 114.554 0.159 0.000 3.022 106 T HA 0.177 4.527 4.350 -0.000 0.000 0.250 106 T C 0.059 174.946 174.700 0.311 0.000 1.060 106 T CA -0.251 61.944 62.100 0.159 0.000 1.013 106 T CB 0.078 69.013 68.868 0.111 0.000 0.982 106 T HN 0.452 nan 8.240 nan 0.000 0.508 107 F N 0.442 120.498 119.950 0.177 0.000 2.635 107 F HA 0.640 5.167 4.527 -0.000 0.000 0.314 107 F C -2.359 173.435 175.800 -0.009 0.000 1.119 107 F CA -1.668 56.386 58.000 0.090 0.000 1.000 107 F CB 2.128 41.098 39.000 -0.051 0.000 1.278 107 F HN 0.009 nan 8.300 nan 0.000 0.446 108 L N 6.648 127.480 121.223 -0.652 0.000 2.676 108 L HA 0.580 4.920 4.340 -0.000 0.000 0.262 108 L C -1.691 174.960 176.870 -0.365 0.000 0.965 108 L CA 0.080 54.623 54.840 -0.494 0.000 0.920 108 L CB 1.139 42.687 42.059 -0.851 0.000 1.260 108 L HN 0.756 nan 8.230 nan 0.000 0.422 109 N N 2.850 121.488 118.700 -0.103 0.000 3.387 109 N HA 0.897 5.637 4.740 -0.000 0.000 0.294 109 N C -2.038 173.440 175.510 -0.052 0.000 1.519 109 N CA 0.066 53.087 53.050 -0.048 0.000 0.875 109 N CB 2.258 40.553 38.487 -0.320 0.000 1.657 109 N HN 0.698 nan 8.380 nan 0.000 0.527 110 A N 0.577 123.187 122.820 -0.349 0.000 2.566 110 A HA 0.726 5.045 4.320 -0.000 0.000 0.297 110 A C -1.937 175.350 177.584 -0.494 0.000 1.059 110 A CA -0.515 51.213 52.037 -0.515 0.000 0.691 110 A CB 0.583 19.356 19.000 -0.379 0.000 1.282 110 A HN 0.380 nan 8.150 nan 0.000 0.401 111 F N 0.448 120.339 119.950 -0.097 0.000 2.551 111 F HA 0.617 5.144 4.527 -0.000 0.000 0.316 111 F C 0.452 176.212 175.800 -0.068 0.000 1.089 111 F CA -0.741 57.226 58.000 -0.056 0.000 0.915 111 F CB 2.877 41.895 39.000 0.028 0.000 1.186 111 F HN 0.369 nan 8.300 nan 0.000 0.456 112 T N 2.006 116.616 114.554 0.093 0.000 2.770 112 T HA 0.360 4.710 4.350 -0.000 0.000 0.297 112 T C -0.715 173.984 174.700 -0.001 0.000 0.997 112 T CA -0.420 61.715 62.100 0.058 0.000 0.949 112 T CB -0.028 68.821 68.868 -0.032 0.000 0.941 112 T HN 0.319 nan 8.240 nan 0.000 0.457 113 Y N 3.063 123.372 120.300 0.016 0.000 2.334 113 Y HA 0.259 4.809 4.550 -0.000 0.000 0.325 113 Y C -1.234 174.686 175.900 0.034 0.000 1.308 113 Y CA -2.255 55.847 58.100 0.004 0.000 1.389 113 Y CB 0.579 39.039 38.460 0.001 0.000 1.328 113 Y HN 0.439 nan 8.280 nan 0.000 0.532 114 P HA -0.149 nan 4.420 nan 0.000 0.221 114 P C -0.139 177.319 177.300 0.263 0.000 1.145 114 P CA 1.894 65.134 63.100 0.234 0.000 0.795 114 P CB 0.189 32.056 31.700 0.277 0.000 0.775 115 D N -3.087 117.469 120.400 0.261 0.000 2.562 115 D HA 0.063 4.703 4.640 -0.000 0.000 0.246 115 D C 0.296 176.629 176.300 0.054 0.000 1.347 115 D CA -0.265 53.826 54.000 0.152 0.000 0.800 115 D CB 0.079 41.005 40.800 0.210 0.000 1.111 115 D HN 0.195 nan 8.370 nan 0.000 0.508 116 R N -1.452 119.101 120.500 0.088 0.000 2.663 116 R HA 0.703 5.043 4.340 -0.000 0.000 0.267 116 R C -1.617 174.753 176.300 0.116 0.000 1.038 116 R CA -0.706 55.404 56.100 0.015 0.000 0.886 116 R CB 0.922 31.130 30.300 -0.154 0.000 1.249 116 R HN -0.173 nan 8.270 nan 0.000 0.463 117 T N 1.282 115.899 114.554 0.106 0.000 2.841 117 T HA 0.491 4.841 4.350 -0.000 0.000 0.285 117 T C -0.770 173.932 174.700 0.002 0.000 0.991 117 T CA -0.450 61.719 62.100 0.116 0.000 0.966 117 T CB 0.943 69.962 68.868 0.251 0.000 0.962 117 T HN 0.620 nan 8.240 nan 0.000 0.438 118 C N 3.087 122.297 119.300 -0.151 0.000 2.417 118 C HA 0.628 5.088 4.460 -0.000 0.000 0.324 118 C C -0.847 173.876 174.990 -0.445 0.000 1.240 118 C CA -1.070 57.854 59.018 -0.156 0.000 1.632 118 C CB -0.272 27.525 27.740 0.096 0.000 2.241 118 C HN 0.953 nan 8.230 nan 0.000 0.499 119 Y N 2.416 122.710 120.300 -0.010 0.000 2.705 119 Y HA 0.360 4.910 4.550 -0.000 0.000 0.355 119 Y C -2.408 173.636 175.900 0.241 0.000 1.039 119 Y CA -1.919 56.263 58.100 0.137 0.000 1.233 119 Y CB 0.771 39.304 38.460 0.122 0.000 1.103 119 Y HN 0.531 nan 8.280 nan 0.000 0.624 120 P HA 0.474 nan 4.420 nan 0.000 0.290 120 P C -0.820 176.573 177.300 0.155 0.000 1.275 120 P CA -0.601 62.580 63.100 0.136 0.000 0.841 120 P CB 2.340 34.049 31.700 0.015 0.000 1.042 121 V N -1.489 118.486 119.914 0.102 0.000 3.078 121 V HA 1.014 5.134 4.120 -0.000 0.000 0.311 121 V C -1.154 175.096 176.094 0.260 0.000 1.138 121 V CA -1.431 60.902 62.300 0.055 0.000 1.007 121 V CB 1.601 33.267 31.823 -0.261 0.000 1.045 121 V HN 0.771 nan 8.190 nan 0.000 0.432 122 A N 1.459 124.443 122.820 0.274 0.000 2.549 122 A HA 0.967 5.287 4.320 -0.000 0.000 0.297 122 A C -0.619 177.099 177.584 0.223 0.000 1.061 122 A CA -0.006 52.188 52.037 0.263 0.000 0.690 122 A CB 1.863 20.939 19.000 0.127 0.000 1.287 122 A HN 2.033 nan 8.150 nan 0.000 0.402 123 S N -0.680 115.098 115.700 0.130 0.000 2.537 123 S HA 0.546 5.016 4.470 -0.000 0.000 0.271 123 S C 0.628 175.173 174.600 -0.092 0.000 1.148 123 S CA 0.437 58.678 58.200 0.068 0.000 0.868 123 S CB 1.327 64.628 63.200 0.169 0.000 1.115 123 S HN 1.778 nan 8.310 nan 0.000 0.461 124 T N 0.119 114.628 114.554 -0.075 0.000 3.081 124 T HA 0.185 4.535 4.350 -0.000 0.000 0.255 124 T C 0.551 175.213 174.700 -0.064 0.000 1.113 124 T CA 0.142 62.180 62.100 -0.103 0.000 1.082 124 T CB -0.352 68.495 68.868 -0.036 0.000 0.939 124 T HN 0.474 nan 8.240 nan 0.000 0.506 125 N N 1.244 119.930 118.700 -0.023 0.000 2.419 125 N HA 0.132 4.872 4.740 -0.000 0.000 0.264 125 N C 0.587 176.089 175.510 -0.012 0.000 1.031 125 N CA -0.022 53.026 53.050 -0.004 0.000 0.951 125 N CB 1.638 40.141 38.487 0.025 0.000 1.101 125 N HN 0.087 nan 8.380 nan 0.000 0.488 126 T N 3.689 118.213 114.554 -0.049 0.000 2.652 126 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 126 T C 1.700 176.349 174.700 -0.084 0.000 1.039 126 T CA 1.250 63.275 62.100 -0.125 0.000 1.153 126 T CB 0.077 68.894 68.868 -0.084 0.000 0.863 126 T HN 0.549 nan 8.240 nan 0.000 0.428 127 K N 0.474 120.904 120.400 0.050 0.000 2.063 127 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 127 K C 2.263 178.935 176.600 0.121 0.000 1.048 127 K CA 1.744 58.111 56.287 0.133 0.000 0.928 127 K CB -0.285 32.281 32.500 0.111 0.000 0.713 127 K HN 0.283 nan 8.250 nan 0.000 0.442 128 D N 0.069 120.521 120.400 0.087 0.000 2.117 128 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 128 D C 1.723 178.091 176.300 0.113 0.000 0.987 128 D CA 0.859 54.913 54.000 0.091 0.000 0.829 128 D CB -0.073 40.775 40.800 0.080 0.000 0.961 128 D HN 0.072 nan 8.370 nan 0.000 0.460 129 F N 0.263 120.163 119.950 -0.083 0.000 2.069 129 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 129 F C 1.901 177.680 175.800 -0.035 0.000 1.113 129 F CA 1.628 59.560 58.000 -0.113 0.000 1.214 129 F CB -0.961 37.890 39.000 -0.248 0.000 0.978 129 F HN 0.116 nan 8.300 nan 0.000 0.474 130 Y N 0.101 120.435 120.300 0.057 0.000 2.181 130 Y HA -0.281 4.269 4.550 -0.000 0.000 0.288 130 Y C 2.446 178.306 175.900 -0.068 0.000 1.146 130 Y CA 0.842 58.913 58.100 -0.048 0.000 1.164 130 Y CB -0.663 37.859 38.460 0.103 0.000 0.982 130 Y HN 0.091 nan 8.280 nan 0.000 0.515 131 N N 0.513 119.294 118.700 0.134 0.000 2.104 131 N HA -0.179 4.561 4.740 -0.000 0.000 0.190 131 N C 1.786 177.278 175.510 -0.031 0.000 1.024 131 N CA 1.355 54.448 53.050 0.071 0.000 0.853 131 N CB -0.630 37.899 38.487 0.069 0.000 1.008 131 N HN 0.340 nan 8.380 nan 0.000 0.424 132 L N 0.151 121.319 121.223 -0.092 0.000 2.027 132 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 132 L C 2.287 179.004 176.870 -0.255 0.000 1.074 132 L CA 0.704 55.437 54.840 -0.178 0.000 0.745 132 L CB -0.538 41.409 42.059 -0.187 0.000 0.898 132 L HN -0.039 nan 8.230 nan 0.000 0.433 133 V N 0.012 119.681 119.914 -0.408 0.000 2.287 133 V HA -0.348 3.772 4.120 -0.000 0.000 0.248 133 V C 2.172 178.073 176.094 -0.322 0.000 1.053 133 V CA 2.238 64.154 62.300 -0.640 0.000 1.027 133 V CB -0.524 30.783 31.823 -0.859 0.000 0.646 133 V HN 0.470 nan 8.190 nan 0.000 0.447 134 D N -0.256 120.094 120.400 -0.083 0.000 2.133 134 D HA -0.168 4.472 4.640 -0.000 0.000 0.195 134 D C 2.007 178.416 176.300 0.180 0.000 0.997 134 D CA 1.498 55.583 54.000 0.143 0.000 0.840 134 D CB -0.080 40.895 40.800 0.291 0.000 0.947 134 D HN 0.216 nan 8.370 nan 0.000 0.452 135 V N -0.165 119.758 119.914 0.015 0.000 2.427 135 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 135 V C 1.863 178.024 176.094 0.113 0.000 1.051 135 V CA 1.339 63.565 62.300 -0.124 0.000 1.048 135 V CB -0.620 31.009 31.823 -0.324 0.000 0.666 135 V HN 0.295 nan 8.190 nan 0.000 0.456 136 Y N -0.014 120.236 120.300 -0.084 0.000 2.163 136 Y HA -0.121 4.428 4.550 -0.000 0.000 0.288 136 Y C 2.264 178.097 175.900 -0.112 0.000 1.136 136 Y CA 1.129 59.210 58.100 -0.032 0.000 1.147 136 Y CB -0.604 37.914 38.460 0.097 0.000 0.987 136 Y HN 0.130 nan 8.280 nan 0.000 0.509 137 L N -0.513 120.660 121.223 -0.084 0.000 2.012 137 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 137 L C 2.113 178.787 176.870 -0.327 0.000 1.073 137 L CA 1.914 56.535 54.840 -0.365 0.000 0.748 137 L CB -0.550 41.013 42.059 -0.828 0.000 0.891 137 L HN 0.129 nan 8.230 nan 0.000 0.431 138 D N -0.364 120.008 120.400 -0.047 0.000 2.144 138 D HA -0.146 4.494 4.640 -0.000 0.000 0.200 138 D C 2.136 178.613 176.300 0.294 0.000 0.978 138 D CA 1.197 55.456 54.000 0.432 0.000 0.833 138 D CB 0.148 41.356 40.800 0.680 0.000 0.961 138 D HN 0.278 nan 8.370 nan 0.000 0.470 139 A N -0.016 122.872 122.820 0.114 0.000 1.877 139 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 139 A C 2.446 179.968 177.584 -0.103 0.000 1.186 139 A CA 2.191 54.231 52.037 0.005 0.000 0.620 139 A CB -0.976 17.953 19.000 -0.117 0.000 0.822 139 A HN 0.279 nan 8.150 nan 0.000 0.443 140 V N -4.298 115.456 119.914 -0.266 0.000 2.488 140 V HA -0.030 4.090 4.120 -0.000 0.000 0.246 140 V C 2.183 178.165 176.094 -0.188 0.000 1.046 140 V CA 1.664 63.756 62.300 -0.345 0.000 1.053 140 V CB -1.048 30.439 31.823 -0.559 0.000 0.679 140 V HN 0.429 nan 8.190 nan 0.000 0.458 141 F N -0.402 119.514 119.950 -0.056 0.000 2.374 141 F HA 0.375 4.902 4.527 -0.000 0.000 0.291 141 F C 1.103 176.609 175.800 -0.491 0.000 1.084 141 F CA 0.489 58.320 58.000 -0.281 0.000 1.413 141 F CB 0.252 39.004 39.000 -0.413 0.000 1.099 141 F HN 0.148 nan 8.300 nan 0.000 0.534 142 F N 1.009 121.210 119.950 0.418 0.000 2.597 142 F HA 0.324 4.851 4.527 -0.000 0.000 0.336 142 F C -2.626 173.257 175.800 0.138 0.000 1.432 142 F CA -3.094 55.066 58.000 0.267 0.000 1.120 142 F CB -0.471 38.685 39.000 0.261 0.000 1.253 142 F HN -0.285 nan 8.300 nan 0.000 0.546 143 P HA 0.114 nan 4.420 nan 0.000 0.279 143 P C 0.510 177.847 177.300 0.061 0.000 1.239 143 P CA -0.325 62.805 63.100 0.050 0.000 0.789 143 P CB 1.640 33.266 31.700 -0.123 0.000 0.933 144 K N 1.566 122.028 120.400 0.103 0.000 2.211 144 K HA -0.066 4.254 4.320 -0.000 0.000 0.203 144 K C 1.832 178.514 176.600 0.138 0.000 1.050 144 K CA 1.298 57.652 56.287 0.112 0.000 0.945 144 K CB -1.315 31.252 32.500 0.111 0.000 0.732 144 K HN 0.644 nan 8.250 nan 0.000 0.451 145 C N 0.242 119.636 119.300 0.156 0.000 2.422 145 C HA -0.002 4.458 4.460 -0.000 0.000 0.286 145 C C 2.335 177.592 174.990 0.445 0.000 1.412 145 C CA 0.369 59.566 59.018 0.298 0.000 1.786 145 C CB -1.596 26.367 27.740 0.373 0.000 1.835 145 C HN 0.224 nan 8.230 nan 0.000 0.533 146 V N -1.501 118.538 119.914 0.210 0.000 3.573 146 V HA 0.103 4.223 4.120 -0.000 0.000 0.270 146 V C 1.616 177.891 176.094 0.302 0.000 1.221 146 V CA 1.661 64.066 62.300 0.175 0.000 1.163 146 V CB -0.761 30.999 31.823 -0.104 0.000 0.847 146 V HN 0.318 nan 8.190 nan 0.000 0.468 147 D N 1.830 122.399 120.400 0.282 0.000 2.146 147 D HA 0.127 4.767 4.640 -0.000 0.000 0.209 147 D C 0.704 177.130 176.300 0.210 0.000 0.973 147 D CA 1.832 55.958 54.000 0.209 0.000 0.860 147 D CB 0.171 41.042 40.800 0.119 0.000 1.015 147 D HN 0.900 nan 8.370 nan 0.000 0.465 148 D N -2.516 117.943 120.400 0.099 0.000 2.615 148 D HA 0.484 5.124 4.640 -0.000 0.000 0.267 148 D C -0.045 175.952 176.300 -0.505 0.000 1.236 148 D CA -0.676 53.183 54.000 -0.236 0.000 0.839 148 D CB 1.130 41.842 40.800 -0.147 0.000 1.380 148 D HN -0.089 nan 8.370 nan 0.000 0.433 149 A N -0.151 122.165 122.820 -0.840 0.000 2.172 149 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 149 A C 1.759 179.168 177.584 -0.291 0.000 1.154 149 A CA 1.836 53.391 52.037 -0.804 0.000 0.701 149 A CB -1.368 17.209 19.000 -0.706 0.000 0.789 149 A HN 0.766 nan 8.150 nan 0.000 0.465 150 H N 0.293 119.209 119.070 -0.258 0.000 2.251 150 H HA -0.160 4.396 4.556 -0.000 0.000 0.294 150 H C 2.090 177.325 175.328 -0.156 0.000 1.078 150 H CA 2.809 58.741 56.048 -0.193 0.000 1.246 150 H CB -0.387 29.294 29.762 -0.136 0.000 1.358 150 H HN 0.338 nan 8.280 nan 0.000 0.488 151 T N 0.393 114.978 114.554 0.051 0.000 2.720 151 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 151 T C 1.716 176.345 174.700 -0.118 0.000 1.037 151 T CA 1.381 63.504 62.100 0.037 0.000 1.144 151 T CB -0.688 68.294 68.868 0.190 0.000 0.864 151 T HN 0.371 nan 8.240 nan 0.000 0.444 152 F N 1.952 121.708 119.950 -0.324 0.000 2.126 152 F HA -0.162 4.364 4.527 -0.000 0.000 0.299 152 F C 2.446 177.985 175.800 -0.434 0.000 1.096 152 F CA 1.478 59.156 58.000 -0.535 0.000 1.255 152 F CB -0.426 38.178 39.000 -0.660 0.000 0.997 152 F HN 0.142 nan 8.300 nan 0.000 0.479 153 Q N -0.445 119.047 119.800 -0.514 0.000 2.230 153 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 153 Q C 2.243 177.995 176.000 -0.414 0.000 0.963 153 Q CA 1.491 56.937 55.803 -0.595 0.000 0.866 153 Q CB -0.271 28.140 28.738 -0.545 0.000 0.931 153 Q HN 0.652 nan 8.270 nan 0.000 0.452 154 Q N 0.313 119.833 119.800 -0.466 0.000 2.096 154 Q HA -0.135 4.205 4.340 -0.000 0.000 0.197 154 Q C 1.444 177.302 176.000 -0.237 0.000 0.964 154 Q CA 0.881 56.481 55.803 -0.338 0.000 0.838 154 Q CB 0.398 28.884 28.738 -0.420 0.000 0.906 154 Q HN 0.210 nan 8.270 nan 0.000 0.444 155 E N -0.286 119.754 120.200 -0.267 0.000 2.166 155 E HA 0.041 4.391 4.350 -0.000 0.000 0.192 155 E C 1.570 177.967 176.600 -0.339 0.000 0.967 155 E CA 0.901 57.151 56.400 -0.250 0.000 0.840 155 E CB 0.034 29.672 29.700 -0.103 0.000 0.795 155 E HN 0.470 nan 8.360 nan 0.000 0.470 156 G N 0.680 109.196 108.800 -0.473 0.000 2.583 156 G HA2 0.044 4.004 3.960 -0.000 0.000 0.215 156 G HA3 0.044 4.004 3.960 -0.000 0.000 0.215 156 G C 0.268 174.978 174.900 -0.317 0.000 1.481 156 G CA 0.593 45.391 45.100 -0.503 0.000 0.948 156 G HN 0.242 nan 8.290 nan 0.000 0.511 157 W N 0.730 121.613 121.300 -0.695 0.000 3.248 157 W HA 0.614 5.274 4.660 -0.000 0.000 0.311 157 W C -1.546 174.704 176.519 -0.448 0.000 1.258 157 W CA -0.633 56.376 57.345 -0.559 0.000 1.191 157 W CB 0.184 29.300 29.460 -0.574 0.000 1.389 157 W HN 0.713 nan 8.180 nan 0.000 0.561 158 H N -0.270 118.444 119.070 -0.594 0.000 2.948 158 H HA 0.425 4.981 4.556 -0.000 0.000 0.315 158 H C -2.061 173.072 175.328 -0.325 0.000 1.360 158 H CA -0.859 54.706 56.048 -0.805 0.000 1.125 158 H CB 1.279 30.696 29.762 -0.574 0.000 1.844 158 H HN 0.358 nan 8.280 nan 0.000 0.529 159 Y N 0.832 121.094 120.300 -0.063 0.000 2.336 159 Y HA 0.231 4.781 4.550 -0.000 0.000 0.335 159 Y C 0.846 176.756 175.900 0.016 0.000 1.046 159 Y CA -0.310 57.769 58.100 -0.036 0.000 1.198 159 Y CB 0.905 39.361 38.460 -0.007 0.000 1.182 159 Y HN 0.623 nan 8.280 nan 0.000 0.502 160 E N 3.972 124.214 120.200 0.069 0.000 2.158 160 E HA 0.544 4.894 4.350 -0.000 0.000 0.271 160 E C -2.015 174.596 176.600 0.018 0.000 0.911 160 E CA -0.972 55.470 56.400 0.070 0.000 0.767 160 E CB 1.079 30.782 29.700 0.005 0.000 1.120 160 E HN 0.579 nan 8.360 nan 0.000 0.405 161 L N 5.749 126.981 121.223 0.014 0.000 2.406 161 L HA 0.405 4.745 4.340 -0.000 0.000 0.270 161 L C -0.068 176.791 176.870 -0.017 0.000 0.982 161 L CA -0.354 54.475 54.840 -0.020 0.000 0.843 161 L CB 1.305 43.343 42.059 -0.036 0.000 1.225 161 L HN 0.623 nan 8.230 nan 0.000 0.412 162 N N 2.071 120.757 118.700 -0.023 0.000 2.171 162 N HA -0.051 4.689 4.740 -0.000 0.000 0.184 162 N C -0.319 175.177 175.510 -0.023 0.000 1.021 162 N CA 0.939 53.976 53.050 -0.022 0.000 0.854 162 N CB 0.166 38.637 38.487 -0.026 0.000 0.994 162 N HN 0.741 nan 8.380 nan 0.000 0.426 163 D N -1.225 119.159 120.400 -0.028 0.000 2.934 163 D HA 0.289 4.929 4.640 -0.000 0.000 0.230 163 D C -2.387 173.893 176.300 -0.033 0.000 1.204 163 D CA -1.925 52.059 54.000 -0.027 0.000 0.873 163 D CB 2.244 43.029 40.800 -0.025 0.000 1.645 163 D HN -0.256 nan 8.370 nan 0.000 0.502 164 P HA -0.061 nan 4.420 nan 0.000 0.229 164 P C 0.684 177.961 177.300 -0.037 0.000 1.150 164 P CA 0.906 63.984 63.100 -0.037 0.000 0.765 164 P CB 0.126 31.806 31.700 -0.033 0.000 0.783 165 S N -2.792 112.888 115.700 -0.033 0.000 2.540 165 S HA 0.128 4.598 4.470 -0.000 0.000 0.218 165 S C 0.599 175.179 174.600 -0.034 0.000 0.977 165 S CA -0.338 57.843 58.200 -0.031 0.000 0.918 165 S CB -0.284 62.901 63.200 -0.026 0.000 0.806 165 S HN 0.088 nan 8.310 nan 0.000 0.496 166 E N 1.059 121.237 120.200 -0.038 0.000 2.239 166 E HA 0.345 4.695 4.350 -0.000 0.000 0.261 166 E C -1.131 175.438 176.600 -0.051 0.000 1.016 166 E CA -0.891 55.484 56.400 -0.040 0.000 0.882 166 E CB 0.660 30.337 29.700 -0.038 0.000 1.190 166 E HN 0.204 nan 8.360 nan 0.000 0.415 167 D N 0.654 121.022 120.400 -0.054 0.000 2.348 167 D HA 0.245 4.885 4.640 -0.000 0.000 0.249 167 D C -0.217 176.033 176.300 -0.083 0.000 1.110 167 D CA -0.332 53.626 54.000 -0.071 0.000 0.967 167 D CB 0.877 41.635 40.800 -0.070 0.000 1.139 167 D HN 0.262 nan 8.370 nan 0.000 0.466 168 I N 0.866 121.369 120.570 -0.112 0.000 2.638 168 I HA 0.058 4.228 4.170 -0.000 0.000 0.286 168 I C 0.791 176.824 176.117 -0.140 0.000 1.088 168 I CA -0.008 61.218 61.300 -0.123 0.000 1.397 168 I CB 1.088 38.978 38.000 -0.183 0.000 1.414 168 I HN 0.243 nan 8.210 nan 0.000 0.566 169 S N 4.144 119.767 115.700 -0.128 0.000 2.599 169 S HA 0.568 5.038 4.470 -0.000 0.000 0.287 169 S C -0.947 173.519 174.600 -0.223 0.000 1.105 169 S CA -0.879 57.219 58.200 -0.169 0.000 0.899 169 S CB 1.241 64.384 63.200 -0.094 0.000 1.100 169 S HN 0.307 nan 8.310 nan 0.000 0.482 170 Y N 1.248 121.413 120.300 -0.224 0.000 2.346 170 Y HA 0.609 5.159 4.550 -0.000 0.000 0.330 170 Y C 0.690 176.199 175.900 -0.652 0.000 1.178 170 Y CA -0.093 57.667 58.100 -0.566 0.000 1.331 170 Y CB 0.812 38.595 38.460 -1.128 0.000 1.253 170 Y HN 0.799 nan 8.280 nan 0.000 0.529 171 K N 1.047 121.079 120.400 -0.614 0.000 2.502 171 K HA 0.788 5.108 4.320 -0.000 0.000 0.257 171 K C -1.097 175.186 176.600 -0.528 0.000 0.938 171 K CA -0.657 55.296 56.287 -0.557 0.000 0.819 171 K CB 2.101 34.285 32.500 -0.526 0.000 1.333 171 K HN 0.870 nan 8.250 nan 0.000 0.434 172 G N 0.921 109.597 108.800 -0.207 0.000 2.429 172 G HA2 0.193 4.153 3.960 -0.000 0.000 0.300 172 G HA3 0.193 4.153 3.960 -0.000 0.000 0.300 172 G C -0.039 174.804 174.900 -0.095 0.000 1.598 172 G CA -0.649 44.370 45.100 -0.134 0.000 0.863 172 G HN 0.321 nan 8.290 nan 0.000 0.614 173 V N 1.064 120.874 119.914 -0.173 0.000 2.261 173 V HA -0.144 3.976 4.120 -0.000 0.000 0.246 173 V C 2.927 178.866 176.094 -0.259 0.000 1.047 173 V CA 2.081 64.260 62.300 -0.201 0.000 1.015 173 V CB -0.816 30.860 31.823 -0.246 0.000 0.642 173 V HN 0.592 nan 8.190 nan 0.000 0.446 174 V N -0.468 119.200 119.914 -0.409 0.000 2.332 174 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 174 V C 2.203 178.160 176.094 -0.229 0.000 1.055 174 V CA 2.482 64.520 62.300 -0.435 0.000 1.038 174 V CB -0.780 30.721 31.823 -0.537 0.000 0.651 174 V HN 0.560 nan 8.190 nan 0.000 0.450 175 F N 1.506 121.286 119.950 -0.283 0.000 2.120 175 F HA -0.230 4.297 4.527 -0.000 0.000 0.300 175 F C 2.337 178.001 175.800 -0.227 0.000 1.095 175 F CA 2.148 59.997 58.000 -0.253 0.000 1.249 175 F CB -0.216 38.648 39.000 -0.226 0.000 0.995 175 F HN 0.203 nan 8.300 nan 0.000 0.480 176 N N 0.275 118.922 118.700 -0.089 0.000 2.290 176 N HA -0.094 4.646 4.740 -0.000 0.000 0.179 176 N C 0.869 176.231 175.510 -0.246 0.000 1.016 176 N CA 0.482 53.435 53.050 -0.161 0.000 0.871 176 N CB -0.418 38.035 38.487 -0.058 0.000 0.987 176 N HN 0.488 nan 8.380 nan 0.000 0.431 180 G N 1.343 110.034 108.800 -0.181 0.000 2.408 180 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.217 180 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.217 180 G C 1.354 176.213 174.900 -0.067 0.000 1.150 180 G CA 1.099 46.113 45.100 -0.143 0.000 0.776 180 G HN 0.047 nan 8.290 nan 0.000 0.542 181 V N -0.214 119.668 119.914 -0.053 0.000 2.244 181 V HA -0.117 4.003 4.120 -0.000 0.000 0.244 181 V C 2.246 178.349 176.094 0.016 0.000 1.042 181 V CA 1.187 63.483 62.300 -0.006 0.000 1.006 181 V CB -0.703 31.136 31.823 0.026 0.000 0.641 181 V HN 0.384 nan 8.190 nan 0.000 0.446 182 Y N 0.978 121.205 120.300 -0.122 0.000 2.680 182 Y HA -0.084 4.466 4.550 -0.000 0.000 0.303 182 Y C 2.423 178.279 175.900 -0.074 0.000 1.166 182 Y CA 1.022 59.060 58.100 -0.103 0.000 1.344 182 Y CB -0.356 38.025 38.460 -0.132 0.000 1.002 182 Y HN 0.421 nan 8.280 nan 0.000 0.537 183 S N -1.674 114.056 115.700 0.050 0.000 2.554 183 S HA 0.123 4.593 4.470 -0.000 0.000 0.226 183 S C 0.203 174.816 174.600 0.022 0.000 0.980 183 S CA -0.500 57.720 58.200 0.034 0.000 0.939 183 S CB 0.096 63.312 63.200 0.027 0.000 0.832 183 S HN 0.045 nan 8.310 nan 0.000 0.486 184 Q N 1.924 121.717 119.800 -0.012 0.000 2.340 184 Q HA 0.392 4.732 4.340 -0.000 0.000 0.259 184 Q C -2.197 173.752 176.000 -0.085 0.000 0.964 184 Q CA -2.579 53.205 55.803 -0.032 0.000 0.900 184 Q CB 1.267 29.985 28.738 -0.034 0.000 1.228 184 Q HN 0.128 nan 8.270 nan 0.000 0.449 185 P HA -0.194 nan 4.420 nan 0.000 0.216 185 P C 0.350 177.496 177.300 -0.258 0.000 1.153 185 P CA 1.341 64.300 63.100 -0.236 0.000 0.858 185 P CB 0.469 31.921 31.700 -0.413 0.000 0.789 186 D N -1.399 118.881 120.400 -0.201 0.000 2.144 186 D HA -0.138 4.502 4.640 -0.000 0.000 0.199 186 D C 1.684 177.885 176.300 -0.164 0.000 0.984 186 D CA 0.982 54.877 54.000 -0.175 0.000 0.834 186 D CB -0.943 39.778 40.800 -0.132 0.000 0.955 186 D HN 0.119 nan 8.370 nan 0.000 0.465 187 N N 0.326 118.931 118.700 -0.158 0.000 2.120 187 N HA -0.065 4.675 4.740 -0.000 0.000 0.188 187 N C 1.966 177.332 175.510 -0.239 0.000 1.024 187 N CA 0.421 53.362 53.050 -0.181 0.000 0.852 187 N CB -0.250 38.134 38.487 -0.172 0.000 1.003 187 N HN 0.276 nan 8.380 nan 0.000 0.424 188 I N 0.291 120.713 120.570 -0.247 0.000 2.163 188 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 188 I C 2.153 178.151 176.117 -0.199 0.000 1.085 188 I CA 0.752 61.899 61.300 -0.256 0.000 1.347 188 I CB -0.280 37.612 38.000 -0.180 0.000 1.044 188 I HN 0.089 nan 8.210 nan 0.000 0.408 189 L N 1.350 122.463 121.223 -0.184 0.000 2.012 189 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 189 L C 2.379 179.167 176.870 -0.135 0.000 1.073 189 L CA 2.355 57.103 54.840 -0.154 0.000 0.748 189 L CB -1.427 40.531 42.059 -0.168 0.000 0.891 189 L HN 0.226 nan 8.230 nan 0.000 0.431 190 G N -0.892 107.821 108.800 -0.145 0.000 2.418 190 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.217 190 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.217 190 G C 1.802 176.631 174.900 -0.117 0.000 1.158 190 G CA 0.835 45.857 45.100 -0.129 0.000 0.771 190 G HN 0.462 nan 8.290 nan 0.000 0.545 191 R N 0.268 120.683 120.500 -0.142 0.000 2.073 191 R HA 0.008 4.348 4.340 -0.000 0.000 0.234 191 R C 2.569 178.823 176.300 -0.078 0.000 1.134 191 R CA 1.348 57.374 56.100 -0.122 0.000 0.952 191 R CB -0.393 29.785 30.300 -0.203 0.000 0.850 191 R HN 0.420 nan 8.270 nan 0.000 0.433 192 I N 1.202 121.719 120.570 -0.088 0.000 2.163 192 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 192 I C 2.712 178.811 176.117 -0.030 0.000 1.085 192 I CA 1.461 62.731 61.300 -0.050 0.000 1.347 192 I CB -0.549 37.417 38.000 -0.056 0.000 1.044 192 I HN 0.316 nan 8.210 nan 0.000 0.408 193 A N 0.204 122.994 122.820 -0.049 0.000 1.908 193 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 193 A C 2.370 179.949 177.584 -0.008 0.000 1.181 193 A CA 2.041 54.056 52.037 -0.037 0.000 0.627 193 A CB -0.795 18.166 19.000 -0.065 0.000 0.818 193 A HN 0.569 nan 8.150 nan 0.000 0.445 194 Q N -0.718 119.070 119.800 -0.020 0.000 2.119 194 Q HA -0.225 4.115 4.340 -0.000 0.000 0.201 194 Q C 2.096 178.133 176.000 0.061 0.000 0.972 194 Q CA 1.742 57.544 55.803 -0.001 0.000 0.847 194 Q CB -0.149 28.571 28.738 -0.030 0.000 0.903 194 Q HN 0.808 nan 8.270 nan 0.000 0.433 195 Q N -0.576 119.259 119.800 0.058 0.000 2.187 195 Q HA 0.010 4.350 4.340 -0.000 0.000 0.199 195 Q C 1.991 178.059 176.000 0.112 0.000 0.957 195 Q CA 0.880 56.736 55.803 0.089 0.000 0.857 195 Q CB 0.061 28.836 28.738 0.062 0.000 0.929 195 Q HN 0.446 nan 8.270 nan 0.000 0.453 196 A N 0.758 123.635 122.820 0.095 0.000 1.969 196 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 196 A C 1.973 179.704 177.584 0.245 0.000 1.169 196 A CA 0.868 52.984 52.037 0.132 0.000 0.635 196 A CB -0.386 18.660 19.000 0.075 0.000 0.810 196 A HN 0.258 nan 8.150 nan 0.000 0.445 197 L N -0.869 120.470 121.223 0.194 0.000 2.131 197 L HA 0.011 4.351 4.340 -0.000 0.000 0.206 197 L C 0.455 177.477 176.870 0.255 0.000 1.087 197 L CA 0.836 55.813 54.840 0.229 0.000 0.767 197 L CB 0.073 42.205 42.059 0.122 0.000 0.917 197 L HN 0.206 nan 8.230 nan 0.000 0.441 198 S N -0.258 115.575 115.700 0.223 0.000 2.128 198 S HA 0.248 4.718 4.470 -0.000 0.000 0.157 198 S C -1.969 172.759 174.600 0.212 0.000 1.650 198 S CA -0.727 57.605 58.200 0.220 0.000 1.269 198 S CB 0.929 64.288 63.200 0.266 0.000 1.227 198 S HN 0.067 nan 8.310 nan 0.000 0.405 199 P HA 0.097 nan 4.420 nan 0.000 0.241 199 P C 0.347 177.728 177.300 0.136 0.000 1.191 199 P CA 0.544 63.751 63.100 0.178 0.000 0.771 199 P CB 0.253 32.063 31.700 0.183 0.000 0.929 200 E N -0.345 119.942 120.200 0.144 0.000 2.538 200 E HA 0.057 4.407 4.350 -0.000 0.000 0.207 200 E C 0.477 177.109 176.600 0.053 0.000 1.002 200 E CA -0.175 56.286 56.400 0.102 0.000 0.952 200 E CB 0.196 29.972 29.700 0.127 0.000 1.031 200 E HN 0.376 nan 8.360 nan 0.000 0.476 201 N N -1.169 117.544 118.700 0.021 0.000 3.201 201 N HA 0.025 4.765 4.740 -0.000 0.000 0.344 201 N C 0.721 176.150 175.510 -0.134 0.000 1.465 201 N CA -0.517 52.483 53.050 -0.085 0.000 0.731 201 N CB 0.137 38.518 38.487 -0.176 0.000 1.677 201 N HN -0.277 nan 8.380 nan 0.000 0.631 202 T N -1.387 112.994 114.554 -0.287 0.000 2.897 202 T HA -0.086 4.264 4.350 -0.000 0.000 0.271 202 T C 0.485 175.107 174.700 -0.130 0.000 1.084 202 T CA 1.368 63.334 62.100 -0.222 0.000 1.123 202 T CB -0.577 68.145 68.868 -0.243 0.000 0.865 202 T HN 0.434 nan 8.240 nan 0.000 0.496 203 Y N 0.466 120.789 120.300 0.038 0.000 2.583 203 Y HA 0.297 4.847 4.550 -0.000 0.000 0.293 203 Y C 2.497 178.422 175.900 0.042 0.000 1.157 203 Y CA -0.241 57.880 58.100 0.035 0.000 1.315 203 Y CB -1.059 37.415 38.460 0.024 0.000 1.021 203 Y HN 0.251 nan 8.280 nan 0.000 0.536 204 G N 0.199 109.084 108.800 0.142 0.000 2.509 204 G HA2 0.087 4.047 3.960 -0.000 0.000 0.218 204 G HA3 0.087 4.047 3.960 -0.000 0.000 0.218 204 G C 0.593 175.548 174.900 0.091 0.000 1.124 204 G CA 0.905 46.072 45.100 0.113 0.000 0.776 204 G HN 0.223 nan 8.290 nan 0.000 0.547 205 V N -3.399 116.568 119.914 0.089 0.000 3.103 205 V HA 0.632 4.752 4.120 -0.000 0.000 0.318 205 V C -1.227 174.920 176.094 0.089 0.000 1.114 205 V CA -1.540 60.808 62.300 0.079 0.000 1.020 205 V CB 2.227 34.089 31.823 0.066 0.000 1.085 205 V HN -0.114 nan 8.190 nan 0.000 0.446 206 D N 1.058 121.509 120.400 0.084 0.000 2.396 206 D HA 0.324 4.964 4.640 -0.000 0.000 0.225 206 D C 1.338 177.682 176.300 0.074 0.000 1.121 206 D CA 0.528 54.581 54.000 0.089 0.000 0.853 206 D CB 1.722 42.602 40.800 0.133 0.000 1.043 206 D HN 0.837 nan 8.370 nan 0.000 0.500 207 S N 1.834 117.576 115.700 0.069 0.000 2.419 207 S HA -0.112 4.358 4.470 -0.000 0.000 0.233 207 S C 2.018 176.655 174.600 0.062 0.000 1.016 207 S CA 0.893 59.127 58.200 0.057 0.000 0.974 207 S CB -0.250 62.990 63.200 0.067 0.000 0.786 207 S HN 0.459 nan 8.310 nan 0.000 0.492 208 G N 1.396 110.220 108.800 0.041 0.000 2.408 208 G HA2 0.380 4.340 3.960 -0.000 0.000 0.217 208 G HA3 0.380 4.340 3.960 -0.000 0.000 0.217 208 G C 0.824 175.845 174.900 0.201 0.000 1.150 208 G CA 0.222 45.365 45.100 0.071 0.000 0.776 208 G HN 1.548 nan 8.290 nan 0.000 0.542 209 G N -0.589 108.267 108.800 0.094 0.000 3.233 209 G HA2 0.109 4.069 3.960 -0.000 0.000 0.686 209 G HA3 0.109 4.069 3.960 -0.000 0.000 0.686 209 G C -1.379 173.442 174.900 -0.131 0.000 1.153 209 G CA -0.137 44.962 45.100 -0.001 0.000 0.853 209 G HN 0.325 nan 8.290 nan 0.000 0.582 210 D N 3.233 123.519 120.400 -0.190 0.000 2.295 210 D HA 0.488 5.128 4.640 -0.000 0.000 0.248 210 D C -0.737 175.257 176.300 -0.510 0.000 1.154 210 D CA -2.249 51.487 54.000 -0.439 0.000 0.857 210 D CB 1.675 42.368 40.800 -0.179 0.000 1.117 210 D HN 0.053 nan 8.370 nan 0.000 0.468 211 P HA -0.127 nan 4.420 nan 0.000 0.220 211 P C 0.615 177.660 177.300 -0.424 0.000 1.144 211 P CA 1.245 63.948 63.100 -0.662 0.000 0.800 211 P CB 0.263 31.445 31.700 -0.862 0.000 0.772 212 K N -1.289 118.898 120.400 -0.354 0.000 2.365 212 K HA -0.018 4.302 4.320 -0.000 0.000 0.197 212 K C 0.725 177.192 176.600 -0.221 0.000 1.042 212 K CA 0.915 57.065 56.287 -0.228 0.000 0.987 212 K CB -0.035 32.374 32.500 -0.151 0.000 0.779 212 K HN 0.126 nan 8.250 nan 0.000 0.484 213 D N 0.171 120.430 120.400 -0.236 0.000 2.454 213 D HA 0.130 4.770 4.640 -0.000 0.000 0.219 213 D C 1.583 177.737 176.300 -0.245 0.000 1.081 213 D CA 0.061 53.944 54.000 -0.194 0.000 0.867 213 D CB 0.231 40.961 40.800 -0.116 0.000 1.054 213 D HN -0.016 nan 8.370 nan 0.000 0.500 214 I N 1.642 122.039 120.570 -0.289 0.000 2.145 214 I HA -0.225 3.945 4.170 -0.000 0.000 0.244 214 I C -0.846 174.904 176.117 -0.612 0.000 1.075 214 I CA 1.392 62.515 61.300 -0.296 0.000 1.332 214 I CB -1.087 36.797 38.000 -0.193 0.000 1.033 214 I HN -0.013 nan 8.210 nan 0.000 0.410 215 P HA -0.033 nan 4.420 nan 0.000 0.244 215 P C 0.484 177.307 177.300 -0.794 0.000 1.211 215 P CA 0.869 62.849 63.100 -1.868 0.000 0.760 215 P CB -0.158 30.363 31.700 -1.963 0.000 0.961 216 N N -0.821 117.658 118.700 -0.368 0.000 2.415 216 N HA 0.012 4.752 4.740 -0.000 0.000 0.176 216 N C 0.492 176.046 175.510 0.073 0.000 1.042 216 N CA 0.179 53.169 53.050 -0.099 0.000 0.902 216 N CB -0.444 38.003 38.487 -0.067 0.000 0.986 216 N HN 0.178 nan 8.380 nan 0.000 0.447 217 L N 1.409 122.718 121.223 0.143 0.000 2.397 217 L HA 0.259 4.599 4.340 -0.000 0.000 0.271 217 L C 0.480 177.680 176.870 0.549 0.000 1.148 217 L CA -0.022 55.018 54.840 0.333 0.000 0.825 217 L CB 0.618 42.909 42.059 0.386 0.000 1.117 217 L HN 0.167 nan 8.230 nan 0.000 0.456 218 T N 1.078 115.828 114.554 0.327 0.000 2.950 218 T HA 0.297 4.647 4.350 -0.000 0.000 0.288 218 T C 0.807 175.384 174.700 -0.204 0.000 1.035 218 T CA -0.433 61.775 62.100 0.180 0.000 1.028 218 T CB 0.698 69.645 68.868 0.133 0.000 1.109 218 T HN 0.501 nan 8.240 nan 0.000 0.514 219 F N 2.129 121.711 119.950 -0.614 0.000 2.095 219 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 219 F C 2.415 178.076 175.800 -0.233 0.000 1.104 219 F CA 2.063 59.584 58.000 -0.797 0.000 1.232 219 F CB -0.374 38.312 39.000 -0.524 0.000 0.987 219 F HN 0.748 nan 8.300 nan 0.000 0.475 220 E N 0.335 120.417 120.200 -0.196 0.000 2.110 220 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 220 E C 1.929 178.452 176.600 -0.127 0.000 0.988 220 E CA 1.698 57.983 56.400 -0.190 0.000 0.804 220 E CB -0.900 28.776 29.700 -0.041 0.000 0.745 220 E HN 0.597 nan 8.360 nan 0.000 0.458 221 E N 0.409 120.585 120.200 -0.039 0.000 2.047 221 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 221 E C 1.864 178.506 176.600 0.069 0.000 0.987 221 E CA 1.004 57.432 56.400 0.047 0.000 0.799 221 E CB -0.363 29.401 29.700 0.107 0.000 0.752 221 E HN 0.258 nan 8.360 nan 0.000 0.449 222 F N 2.163 122.019 119.950 -0.158 0.000 2.095 222 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 222 F C 2.174 177.885 175.800 -0.148 0.000 1.104 222 F CA 1.685 59.606 58.000 -0.132 0.000 1.232 222 F CB 0.015 38.840 39.000 -0.291 0.000 0.987 222 F HN -0.216 nan 8.300 nan 0.000 0.475 223 K N -0.107 120.076 120.400 -0.362 0.000 2.097 223 K HA -0.237 4.083 4.320 -0.000 0.000 0.205 223 K C 2.114 178.579 176.600 -0.225 0.000 1.050 223 K CA 1.573 57.588 56.287 -0.454 0.000 0.938 223 K CB -0.223 31.896 32.500 -0.636 0.000 0.718 223 K HN 0.289 nan 8.250 nan 0.000 0.442 224 E N 0.371 120.494 120.200 -0.129 0.000 2.072 224 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 224 E C 1.642 178.233 176.600 -0.016 0.000 0.985 224 E CA 1.180 57.547 56.400 -0.055 0.000 0.801 224 E CB -0.434 29.252 29.700 -0.023 0.000 0.750 224 E HN 0.283 nan 8.360 nan 0.000 0.452 225 F N 0.973 120.877 119.950 -0.076 0.000 2.120 225 F HA -0.286 4.241 4.527 -0.000 0.000 0.300 225 F C 2.574 178.374 175.800 -0.000 0.000 1.095 225 F CA 2.301 60.321 58.000 0.033 0.000 1.249 225 F CB -0.324 38.722 39.000 0.077 0.000 0.995 225 F HN 0.293 nan 8.300 nan 0.000 0.480 226 H N 0.248 119.284 119.070 -0.057 0.000 2.353 226 H HA -0.134 4.422 4.556 -0.000 0.000 0.300 226 H C 2.563 177.834 175.328 -0.096 0.000 1.090 226 H CA 1.845 57.769 56.048 -0.206 0.000 1.327 226 H CB -0.211 29.277 29.762 -0.456 0.000 1.383 226 H HN 0.242 nan 8.280 nan 0.000 0.508 227 R N 0.086 120.590 120.500 0.005 0.000 2.066 227 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 227 R C 2.504 178.734 176.300 -0.117 0.000 1.131 227 R CA 1.126 57.231 56.100 0.007 0.000 0.955 227 R CB 0.129 30.436 30.300 0.013 0.000 0.851 227 R HN 0.386 nan 8.270 nan 0.000 0.432 228 Q N -0.622 119.009 119.800 -0.282 0.000 2.030 228 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 228 Q C 1.614 177.245 176.000 -0.616 0.000 0.986 228 Q CA 1.828 57.286 55.803 -0.574 0.000 0.843 228 Q CB -0.118 28.023 28.738 -0.994 0.000 0.904 228 Q HN 0.464 nan 8.270 nan 0.000 0.420 229 Y N -2.739 117.411 120.300 -0.249 0.000 2.498 229 Y HA 0.053 4.603 4.550 -0.000 0.000 0.259 229 Y C 0.527 176.313 175.900 -0.190 0.000 1.086 229 Y CA -0.147 57.818 58.100 -0.224 0.000 1.287 229 Y CB 0.265 38.497 38.460 -0.380 0.000 1.146 229 Y HN 0.038 nan 8.280 nan 0.000 0.523 230 Y N 0.407 120.454 120.300 -0.423 0.000 2.955 230 Y HA 0.197 4.747 4.550 -0.000 0.000 0.386 230 Y C 0.013 175.740 175.900 -0.288 0.000 1.069 230 Y CA -0.895 56.763 58.100 -0.736 0.000 1.764 230 Y CB -0.930 36.657 38.460 -1.454 0.000 1.646 230 Y HN 0.075 nan 8.280 nan 0.000 0.486 231 H N -0.573 118.455 119.070 -0.070 0.000 2.472 231 H HA 0.303 4.859 4.556 -0.000 0.000 0.338 231 H C -1.805 173.462 175.328 -0.101 0.000 1.133 231 H CA -2.446 53.502 56.048 -0.167 0.000 1.216 231 H CB 2.067 31.760 29.762 -0.115 0.000 1.497 231 H HN -0.062 nan 8.280 nan 0.000 0.500 232 P HA -0.185 nan 4.420 nan 0.000 0.217 232 P C 1.157 178.480 177.300 0.038 0.000 1.148 232 P CA 1.560 64.503 63.100 -0.262 0.000 0.828 232 P CB 0.228 31.574 31.700 -0.591 0.000 0.783 233 S N -1.069 114.776 115.700 0.242 0.000 2.400 233 S HA -0.184 4.286 4.470 -0.000 0.000 0.232 233 S C 1.623 176.271 174.600 0.081 0.000 1.025 233 S CA 1.081 59.377 58.200 0.161 0.000 0.993 233 S CB -1.055 62.215 63.200 0.116 0.000 0.808 233 S HN 0.368 nan 8.310 nan 0.000 0.478 234 N N 0.681 119.442 118.700 0.102 0.000 2.276 234 N HA 0.273 5.013 4.740 -0.000 0.000 0.212 234 N C -0.374 175.132 175.510 -0.007 0.000 1.127 234 N CA -0.230 52.857 53.050 0.061 0.000 0.834 234 N CB 0.151 38.708 38.487 0.117 0.000 1.014 234 N HN 0.289 nan 8.380 nan 0.000 0.491 235 A N 0.764 123.540 122.820 -0.074 0.000 2.355 235 A HA 0.683 5.003 4.320 -0.000 0.000 0.324 235 A C -0.487 176.883 177.584 -0.355 0.000 1.117 235 A CA -0.564 51.282 52.037 -0.317 0.000 0.785 235 A CB 1.183 20.073 19.000 -0.184 0.000 1.254 235 A HN 0.312 nan 8.150 nan 0.000 0.453 236 R N 0.632 120.788 120.500 -0.574 0.000 2.686 236 R HA 0.720 5.060 4.340 -0.000 0.000 0.286 236 R C -1.441 174.595 176.300 -0.440 0.000 0.969 236 R CA -0.329 55.369 56.100 -0.670 0.000 0.898 236 R CB 2.157 31.582 30.300 -1.458 0.000 1.183 236 R HN 0.680 nan 8.270 nan 0.000 0.456 237 I N 1.710 122.248 120.570 -0.054 0.000 2.582 237 I HA 0.390 4.560 4.170 -0.000 0.000 0.292 237 I C -1.061 175.228 176.117 0.287 0.000 1.066 237 I CA -0.658 60.653 61.300 0.019 0.000 1.053 237 I CB 2.158 40.233 38.000 0.125 0.000 1.241 237 I HN 0.492 nan 8.210 nan 0.000 0.421 238 W N 7.452 128.657 121.300 -0.157 0.000 2.600 238 W HA 0.555 5.215 4.660 -0.000 0.000 0.325 238 W C -2.419 174.045 176.519 -0.093 0.000 1.034 238 W CA -0.694 56.652 57.345 0.002 0.000 1.226 238 W CB 1.667 31.117 29.460 -0.017 0.000 1.379 238 W HN 0.264 nan 8.180 nan 0.000 0.466 239 F N 6.106 125.917 119.950 -0.232 0.000 2.540 239 F HA 0.398 4.925 4.527 -0.000 0.000 0.317 239 F C -1.004 174.590 175.800 -0.342 0.000 1.104 239 F CA -0.872 57.111 58.000 -0.028 0.000 0.913 239 F CB 1.939 41.013 39.000 0.123 0.000 1.170 239 F HN 0.267 nan 8.300 nan 0.000 0.450 240 Y N 1.970 122.258 120.300 -0.019 0.000 2.470 240 Y HA 0.739 5.289 4.550 -0.000 0.000 0.341 240 Y C -0.269 175.616 175.900 -0.024 0.000 1.021 240 Y CA -0.335 57.707 58.100 -0.097 0.000 1.025 240 Y CB 2.004 40.507 38.460 0.071 0.000 1.266 240 Y HN 0.888 nan 8.280 nan 0.000 0.448 241 G N 4.031 112.479 108.800 -0.586 0.000 2.298 241 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.309 241 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.309 241 G C -0.912 173.809 174.900 -0.298 0.000 1.279 241 G CA -0.101 44.718 45.100 -0.468 0.000 1.042 241 G HN 0.883 nan 8.290 nan 0.000 0.480 242 D N 0.486 120.755 120.400 -0.219 0.000 2.328 242 D HA 0.114 4.754 4.640 -0.000 0.000 0.221 242 D C 0.617 176.860 176.300 -0.094 0.000 1.072 242 D CA 0.735 54.651 54.000 -0.141 0.000 0.850 242 D CB -0.334 40.399 40.800 -0.112 0.000 0.922 242 D HN 0.647 nan 8.370 nan 0.000 0.516 243 D N 0.418 120.761 120.400 -0.094 0.000 2.361 243 D HA -0.012 4.628 4.640 -0.000 0.000 0.239 243 D C -0.207 176.114 176.300 0.035 0.000 1.200 243 D CA -0.369 53.628 54.000 -0.005 0.000 0.915 243 D CB 0.716 41.551 40.800 0.058 0.000 1.170 243 D HN 0.033 nan 8.370 nan 0.000 0.444 244 D N 0.106 120.562 120.400 0.093 0.000 2.401 244 D HA 0.090 4.730 4.640 -0.000 0.000 0.254 244 D C -1.658 174.663 176.300 0.036 0.000 1.192 244 D CA -1.318 52.718 54.000 0.059 0.000 0.885 244 D CB 1.208 42.047 40.800 0.065 0.000 1.147 244 D HN 0.001 nan 8.370 nan 0.000 0.478 245 P HA -0.154 nan 4.420 nan 0.000 0.216 245 P C 1.415 178.640 177.300 -0.126 0.000 1.153 245 P CA 0.408 63.472 63.100 -0.060 0.000 0.848 245 P CB 0.208 31.905 31.700 -0.004 0.000 0.787 246 V N -0.733 119.133 119.914 -0.079 0.000 2.343 246 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 246 V C 2.419 178.425 176.094 -0.147 0.000 1.051 246 V CA 2.064 64.288 62.300 -0.127 0.000 1.036 246 V CB -1.480 30.311 31.823 -0.054 0.000 0.654 246 V HN 0.157 nan 8.190 nan 0.000 0.451 247 H N 0.630 119.602 119.070 -0.165 0.000 2.422 247 H HA -0.146 4.410 4.556 -0.000 0.000 0.298 247 H C 2.402 177.568 175.328 -0.270 0.000 1.098 247 H CA 1.853 57.789 56.048 -0.188 0.000 1.315 247 H CB -0.051 29.622 29.762 -0.148 0.000 1.382 247 H HN 0.359 nan 8.280 nan 0.000 0.523 248 R N -0.403 119.870 120.500 -0.378 0.000 2.083 248 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 248 R C 2.407 178.368 176.300 -0.565 0.000 1.137 248 R CA 1.739 57.387 56.100 -0.753 0.000 0.951 248 R CB -0.362 29.204 30.300 -1.223 0.000 0.851 248 R HN 0.329 nan 8.270 nan 0.000 0.434 249 L N -0.042 120.841 121.223 -0.567 0.000 2.056 249 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 249 L C 2.786 179.491 176.870 -0.275 0.000 1.078 249 L CA 1.190 55.633 54.840 -0.661 0.000 0.749 249 L CB -0.459 41.031 42.059 -0.948 0.000 0.901 249 L HN 0.159 nan 8.230 nan 0.000 0.433 250 R N 0.187 120.522 120.500 -0.275 0.000 2.083 250 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 250 R C 2.286 178.461 176.300 -0.208 0.000 1.137 250 R CA 1.674 57.650 56.100 -0.207 0.000 0.951 250 R CB -0.273 29.862 30.300 -0.274 0.000 0.851 250 R HN 0.129 nan 8.270 nan 0.000 0.434 251 V N 1.327 121.029 119.914 -0.354 0.000 2.287 251 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 251 V C 2.351 178.513 176.094 0.114 0.000 1.053 251 V CA 1.820 64.018 62.300 -0.169 0.000 1.027 251 V CB -0.359 31.341 31.823 -0.205 0.000 0.646 251 V HN 0.364 nan 8.190 nan 0.000 0.447 252 L N 0.610 121.929 121.223 0.160 0.000 2.093 252 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 252 L C 2.770 179.829 176.870 0.315 0.000 1.085 252 L CA 1.679 56.717 54.840 0.331 0.000 0.755 252 L CB -0.848 41.433 42.059 0.370 0.000 0.904 252 L HN 0.579 nan 8.230 nan 0.000 0.435 253 S N -0.116 115.750 115.700 0.277 0.000 2.380 253 S HA -0.344 4.126 4.470 -0.000 0.000 0.229 253 S C 1.801 176.468 174.600 0.111 0.000 1.043 253 S CA 1.775 60.108 58.200 0.220 0.000 1.038 253 S CB -0.613 62.716 63.200 0.214 0.000 0.872 253 S HN 0.596 nan 8.310 nan 0.000 0.456 254 E N 0.355 120.589 120.200 0.057 0.000 2.097 254 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 254 E C 1.709 178.227 176.600 -0.137 0.000 1.000 254 E CA 1.729 58.062 56.400 -0.111 0.000 0.804 254 E CB -0.311 29.220 29.700 -0.282 0.000 0.740 254 E HN 0.808 nan 8.360 nan 0.000 0.454 255 Y N 0.064 120.465 120.300 0.169 0.000 2.301 255 Y HA 0.085 4.635 4.550 -0.000 0.000 0.295 255 Y C 2.214 178.180 175.900 0.109 0.000 1.119 255 Y CA 0.551 58.799 58.100 0.248 0.000 1.162 255 Y CB -0.033 38.610 38.460 0.305 0.000 1.046 255 Y HN -0.003 nan 8.280 nan 0.000 0.538 256 L N -0.336 120.940 121.223 0.088 0.000 2.141 256 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 256 L C 0.360 177.245 176.870 0.024 0.000 1.094 256 L CA 0.676 55.400 54.840 -0.192 0.000 0.763 256 L CB -0.571 41.043 42.059 -0.741 0.000 0.908 256 L HN 0.173 nan 8.230 nan 0.000 0.437 260 E N 1.189 121.582 120.200 0.322 0.000 2.232 260 E HA 0.761 5.111 4.350 -0.000 0.000 0.265 260 E C -0.492 176.309 176.600 0.336 0.000 1.001 260 E CA -0.630 55.917 56.400 0.245 0.000 0.870 260 E CB 2.058 31.845 29.700 0.145 0.000 1.175 260 E HN 0.777 nan 8.360 nan 0.000 0.407 261 A N 1.632 124.574 122.820 0.204 0.000 2.586 261 A HA 0.088 4.407 4.320 -0.000 0.000 0.231 261 A C 0.466 178.033 177.584 -0.027 0.000 1.055 261 A CA 0.667 52.783 52.037 0.132 0.000 0.756 261 A CB -0.256 18.781 19.000 0.061 0.000 0.988 261 A HN 0.562 nan 8.150 nan 0.000 0.509 262 S N 2.325 117.876 115.700 -0.249 0.000 2.632 262 S HA 0.526 4.996 4.470 -0.000 0.000 0.271 262 S C -1.175 173.318 174.600 -0.179 0.000 1.260 262 S CA -0.499 57.453 58.200 -0.414 0.000 1.010 262 S CB 0.718 63.534 63.200 -0.640 0.000 0.965 262 S HN 0.626 nan 8.310 nan 0.000 0.534 263 P HA 0.047 nan 4.420 nan 0.000 0.218 263 P C 0.303 177.562 177.300 -0.070 0.000 1.149 263 P CA 0.788 63.837 63.100 -0.085 0.000 0.817 263 P CB 0.076 31.729 31.700 -0.078 0.000 0.785 264 S N -0.746 114.902 115.700 -0.087 0.000 2.592 264 S HA 0.372 4.841 4.470 -0.000 0.000 0.151 264 S C -2.268 172.299 174.600 -0.054 0.000 1.280 264 S CA -0.917 57.248 58.200 -0.057 0.000 1.187 264 S CB 0.491 63.660 63.200 -0.052 0.000 1.471 264 S HN -0.191 nan 8.310 nan 0.000 0.409 265 P HA -0.032 nan 4.420 nan 0.000 0.218 265 P C 0.934 178.237 177.300 0.004 0.000 1.148 265 P CA 0.926 64.016 63.100 -0.017 0.000 0.822 265 P CB 0.100 31.802 31.700 0.003 0.000 0.784 266 N N -1.390 117.315 118.700 0.009 0.000 2.461 266 N HA 0.026 4.766 4.740 -0.000 0.000 0.188 266 N C 1.327 176.852 175.510 0.025 0.000 1.134 266 N CA 0.406 53.469 53.050 0.022 0.000 0.878 266 N CB -0.298 38.205 38.487 0.028 0.000 0.972 266 N HN 0.086 nan 8.380 nan 0.000 0.456 267 S N 0.140 115.849 115.700 0.017 0.000 2.399 267 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 267 S C 1.929 176.582 174.600 0.089 0.000 1.022 267 S CA 1.170 59.386 58.200 0.027 0.000 0.983 267 S CB -0.042 63.143 63.200 -0.024 0.000 0.803 267 S HN 0.548 nan 8.310 nan 0.000 0.480 268 S N 0.332 116.102 115.700 0.117 0.000 2.575 268 S HA 0.225 4.695 4.470 -0.000 0.000 0.215 268 S C 0.376 174.995 174.600 0.031 0.000 0.966 268 S CA -0.220 58.067 58.200 0.146 0.000 0.911 268 S CB -0.161 63.148 63.200 0.182 0.000 0.780 268 S HN 0.271 nan 8.310 nan 0.000 0.514 269 K N 1.863 122.281 120.400 0.029 0.000 2.484 269 K HA 0.108 4.428 4.320 -0.000 0.000 0.280 269 K C -0.232 176.362 176.600 -0.010 0.000 1.013 269 K CA -0.267 56.029 56.287 0.016 0.000 1.029 269 K CB 0.197 32.715 32.500 0.030 0.000 0.902 269 K HN 0.176 nan 8.250 nan 0.000 0.481 270 I N 4.417 124.978 120.570 -0.015 0.000 2.529 270 I HA 0.070 4.240 4.170 -0.000 0.000 0.284 270 I C 0.420 176.435 176.117 -0.170 0.000 1.082 270 I CA 0.072 61.317 61.300 -0.092 0.000 1.406 270 I CB 0.835 38.815 38.000 -0.033 0.000 1.405 270 I HN 0.553 nan 8.210 nan 0.000 0.548 271 K N 5.406 125.703 120.400 -0.173 0.000 2.156 271 K HA 0.448 4.768 4.320 -0.000 0.000 0.271 271 K C -0.671 175.836 176.600 -0.155 0.000 0.995 271 K CA -0.574 55.644 56.287 -0.114 0.000 0.890 271 K CB 1.010 33.500 32.500 -0.015 0.000 1.073 271 K HN 0.138 nan 8.250 nan 0.000 0.454 272 F N 1.691 121.627 119.950 -0.022 0.000 2.563 272 F HA -0.037 4.490 4.527 -0.000 0.000 0.363 272 F C 1.096 176.892 175.800 -0.007 0.000 1.123 272 F CA 0.050 58.036 58.000 -0.024 0.000 1.307 272 F CB 0.398 39.384 39.000 -0.023 0.000 1.115 272 F HN 0.409 nan 8.300 nan 0.000 0.592 273 Q N 3.880 123.788 119.800 0.179 0.000 2.314 273 Q HA 0.216 4.556 4.340 -0.000 0.000 0.257 273 Q C -0.998 175.060 176.000 0.098 0.000 0.975 273 Q CA -0.405 55.470 55.803 0.120 0.000 0.933 273 Q CB 0.634 29.419 28.738 0.077 0.000 1.195 273 Q HN 0.427 nan 8.270 nan 0.000 0.426 274 K N 3.720 124.197 120.400 0.129 0.000 2.412 274 K HA 0.181 4.501 4.320 -0.000 0.000 0.281 274 K C -0.362 176.329 176.600 0.151 0.000 1.027 274 K CA -0.119 56.239 56.287 0.117 0.000 0.989 274 K CB 0.481 33.058 32.500 0.129 0.000 0.935 274 K HN 0.623 nan 8.250 nan 0.000 0.475 275 L N 4.345 125.641 121.223 0.122 0.000 2.453 275 L HA 0.109 4.449 4.340 -0.000 0.000 0.272 275 L C 0.243 177.325 176.870 0.353 0.000 1.182 275 L CA -0.366 54.635 54.840 0.269 0.000 0.858 275 L CB -0.061 42.084 42.059 0.142 0.000 1.120 275 L HN 0.397 nan 8.230 nan 0.000 0.474 276 F N 0.508 120.628 119.950 0.284 0.000 2.539 276 F HA -0.009 4.518 4.527 -0.000 0.000 0.340 276 F C 1.619 177.444 175.800 0.041 0.000 1.185 276 F CA -0.437 57.554 58.000 -0.016 0.000 1.333 276 F CB 0.223 39.053 39.000 -0.284 0.000 1.152 276 F HN 0.568 nan 8.300 nan 0.000 0.602 277 S N -1.590 114.241 115.700 0.219 0.000 2.492 277 S HA 0.144 4.614 4.470 -0.000 0.000 0.218 277 S C 0.219 174.879 174.600 0.101 0.000 1.016 277 S CA 0.029 58.308 58.200 0.132 0.000 0.916 277 S CB 0.061 63.312 63.200 0.086 0.000 0.791 277 S HN 0.576 nan 8.310 nan 0.000 0.513 278 E N 1.696 121.945 120.200 0.082 0.000 2.293 278 E HA 0.600 4.950 4.350 -0.000 0.000 0.270 278 E C -3.172 173.449 176.600 0.035 0.000 0.879 278 E CA -2.462 53.961 56.400 0.039 0.000 0.756 278 E CB 1.776 31.468 29.700 -0.013 0.000 1.208 278 E HN 0.001 nan 8.360 nan 0.000 0.428 279 P HA 0.101 nan 4.420 nan 0.000 0.269 279 P C -0.988 176.286 177.300 -0.043 0.000 1.215 279 P CA -0.342 62.770 63.100 0.019 0.000 0.780 279 P CB 0.630 32.339 31.700 0.014 0.000 0.898 280 V N 3.734 123.616 119.914 -0.052 0.000 2.581 280 V HA 0.445 4.565 4.120 -0.000 0.000 0.303 280 V C 0.300 176.352 176.094 -0.070 0.000 1.041 280 V CA -0.552 61.695 62.300 -0.089 0.000 0.907 280 V CB 1.559 33.314 31.823 -0.113 0.000 0.994 280 V HN 0.457 nan 8.190 nan 0.000 0.442 281 R N 5.099 125.560 120.500 -0.065 0.000 2.480 281 R HA 0.744 5.084 4.340 -0.000 0.000 0.306 281 R C -1.530 174.744 176.300 -0.044 0.000 0.958 281 R CA -0.628 55.441 56.100 -0.053 0.000 0.861 281 R CB 1.853 32.128 30.300 -0.042 0.000 1.171 281 R HN 0.529 nan 8.270 nan 0.000 0.445 282 L N 2.356 123.557 121.223 -0.038 0.000 2.354 282 L HA 0.677 5.017 4.340 -0.000 0.000 0.269 282 L C -0.626 176.235 176.870 -0.014 0.000 1.005 282 L CA -1.359 53.465 54.840 -0.027 0.000 0.819 282 L CB 2.428 44.471 42.059 -0.026 0.000 1.311 282 L HN 0.266 nan 8.230 nan 0.000 0.423 283 V N 1.771 121.681 119.914 -0.006 0.000 2.409 283 V HA 0.421 4.541 4.120 -0.000 0.000 0.290 283 V C -0.564 175.535 176.094 0.007 0.000 1.017 283 V CA -0.656 61.649 62.300 0.009 0.000 0.841 283 V CB 1.633 33.466 31.823 0.016 0.000 1.003 283 V HN 0.645 nan 8.190 nan 0.000 0.426 284 E N 3.658 123.866 120.200 0.014 0.000 2.212 284 E HA 0.545 4.895 4.350 -0.000 0.000 0.268 284 E C -0.885 175.735 176.600 0.032 0.000 0.902 284 E CA -0.969 55.440 56.400 0.015 0.000 0.779 284 E CB 2.550 32.256 29.700 0.010 0.000 1.172 284 E HN 0.367 nan 8.360 nan 0.000 0.409 285 K N 1.514 121.922 120.400 0.014 0.000 2.098 285 K HA 0.374 4.694 4.320 -0.000 0.000 0.257 285 K C -0.200 176.436 176.600 0.059 0.000 0.999 285 K CA -0.467 55.812 56.287 -0.013 0.000 0.924 285 K CB 0.776 33.241 32.500 -0.058 0.000 1.028 285 K HN 0.561 nan 8.250 nan 0.000 0.466 286 Y N -1.453 118.801 120.300 -0.077 0.000 2.588 286 Y HA 0.489 5.039 4.550 -0.000 0.000 0.343 286 Y C -2.951 172.913 175.900 -0.060 0.000 1.065 286 Y CA -2.949 55.110 58.100 -0.069 0.000 1.038 286 Y CB 1.377 39.790 38.460 -0.079 0.000 1.297 286 Y HN 0.341 nan 8.280 nan 0.000 0.467 287 P HA 0.359 nan 4.420 nan 0.000 0.276 287 P C -0.872 176.392 177.300 -0.060 0.000 1.253 287 P CA 0.433 63.506 63.100 -0.044 0.000 0.766 287 P CB 1.211 32.934 31.700 0.038 0.000 0.845 288 A N 3.658 126.365 122.820 -0.189 0.000 2.346 288 A HA 0.804 5.124 4.320 -0.000 0.000 0.313 288 A C 0.475 178.025 177.584 -0.057 0.000 1.140 288 A CA -0.538 51.425 52.037 -0.124 0.000 0.826 288 A CB 0.917 19.758 19.000 -0.265 0.000 1.332 288 A HN 0.511 nan 8.150 nan 0.000 0.457 289 G N -0.874 107.913 108.800 -0.021 0.000 2.651 289 G HA2 0.393 4.353 3.960 -0.000 0.000 0.260 289 G HA3 0.393 4.353 3.960 -0.000 0.000 0.260 289 G C 0.506 175.389 174.900 -0.029 0.000 1.216 289 G CA -0.430 44.662 45.100 -0.013 0.000 0.913 289 G HN 0.601 nan 8.290 nan 0.000 0.535 290 R N -0.221 120.267 120.500 -0.020 0.000 2.075 290 R HA 0.026 4.366 4.340 -0.000 0.000 0.226 290 R C 0.401 176.687 176.300 -0.023 0.000 1.114 290 R CA 0.650 56.736 56.100 -0.023 0.000 0.972 290 R CB -0.523 29.768 30.300 -0.016 0.000 0.869 290 R HN 0.610 nan 8.270 nan 0.000 0.437 291 D N -0.699 119.689 120.400 -0.020 0.000 2.393 291 D HA 0.371 5.011 4.640 -0.000 0.000 0.246 291 D C 0.366 176.649 176.300 -0.028 0.000 1.275 291 D CA 0.900 54.884 54.000 -0.026 0.000 0.979 291 D CB 0.157 40.940 40.800 -0.028 0.000 1.101 291 D HN 0.319 nan 8.370 nan 0.000 0.505 292 G N -0.097 108.680 108.800 -0.039 0.000 2.728 292 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.686 292 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.686 292 G C -0.671 174.215 174.900 -0.024 0.000 1.337 292 G CA -0.565 44.514 45.100 -0.036 0.000 0.861 292 G HN 0.676 nan 8.290 nan 0.000 0.597 293 D N 1.167 121.556 120.400 -0.018 0.000 2.383 293 D HA 0.350 4.990 4.640 -0.000 0.000 0.245 293 D C 1.866 178.173 176.300 0.011 0.000 1.263 293 D CA -0.404 53.592 54.000 -0.006 0.000 0.936 293 D CB 0.383 41.180 40.800 -0.005 0.000 1.053 293 D HN 0.391 nan 8.370 nan 0.000 0.507 294 L N 3.634 124.858 121.223 0.003 0.000 2.187 294 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 294 L C 2.383 179.290 176.870 0.062 0.000 1.100 294 L CA 1.263 56.104 54.840 0.001 0.000 0.765 294 L CB -0.467 41.566 42.059 -0.043 0.000 0.904 294 L HN 0.536 nan 8.230 nan 0.000 0.437 295 K N -1.154 119.297 120.400 0.084 0.000 2.525 295 K HA -0.078 4.242 4.320 -0.000 0.000 0.192 295 K C 1.207 177.891 176.600 0.140 0.000 1.029 295 K CA 0.635 57.011 56.287 0.150 0.000 1.029 295 K CB -0.010 32.532 32.500 0.070 0.000 0.814 295 K HN 0.065 nan 8.250 nan 0.000 0.503 296 K N 1.236 121.699 120.400 0.105 0.000 2.437 296 K HA 0.126 4.446 4.320 -0.000 0.000 0.205 296 K C 0.010 176.680 176.600 0.117 0.000 1.026 296 K CA 0.158 56.496 56.287 0.086 0.000 1.153 296 K CB 0.637 33.163 32.500 0.044 0.000 0.863 296 K HN -0.048 nan 8.250 nan 0.000 0.502 297 K N -0.181 120.326 120.400 0.179 0.000 2.592 297 K HA 0.183 4.503 4.320 -0.000 0.000 0.203 297 K C -0.071 176.654 176.600 0.208 0.000 1.070 297 K CA -0.110 56.276 56.287 0.165 0.000 1.062 297 K CB 0.288 32.865 32.500 0.128 0.000 0.814 297 K HN 0.159 nan 8.250 nan 0.000 0.502 301 C N 2.601 121.870 119.300 -0.051 0.000 2.898 301 C HA 0.977 5.436 4.460 -0.000 0.000 0.304 301 C C -0.942 173.983 174.990 -0.108 0.000 1.237 301 C CA -0.792 58.184 59.018 -0.070 0.000 1.529 301 C CB 1.349 29.037 27.740 -0.088 0.000 2.021 301 C HN 0.652 nan 8.230 nan 0.000 0.474 302 V N 3.576 123.408 119.914 -0.137 0.000 2.604 302 V HA 0.639 4.759 4.120 -0.000 0.000 0.305 302 V C -0.659 175.198 176.094 -0.394 0.000 1.043 302 V CA -0.298 61.809 62.300 -0.323 0.000 0.888 302 V CB 1.827 33.435 31.823 -0.358 0.000 0.995 302 V HN 0.983 nan 8.190 nan 0.000 0.429 303 N N 2.563 120.935 118.700 -0.548 0.000 2.242 303 N HA 0.530 5.270 4.740 -0.000 0.000 0.292 303 N C -1.782 173.533 175.510 -0.325 0.000 1.125 303 N CA -0.610 52.294 53.050 -0.243 0.000 0.783 303 N CB 2.914 41.341 38.487 -0.100 0.000 1.558 303 N HN 0.582 nan 8.380 nan 0.000 0.472 304 W N 1.128 122.504 121.300 0.127 0.000 2.936 304 W HA 0.405 5.065 4.660 -0.000 0.000 0.338 304 W C -0.847 175.714 176.519 0.069 0.000 1.121 304 W CA -0.585 56.843 57.345 0.139 0.000 1.209 304 W CB 1.901 31.455 29.460 0.157 0.000 1.420 304 W HN 0.187 nan 8.180 nan 0.000 0.516 305 L N 2.447 123.782 121.223 0.187 0.000 2.276 305 L HA 0.274 4.614 4.340 -0.000 0.000 0.286 305 L C 0.829 177.695 176.870 -0.006 0.000 1.061 305 L CA 0.073 54.875 54.840 -0.064 0.000 0.807 305 L CB 1.107 42.850 42.059 -0.526 0.000 1.177 305 L HN 0.420 nan 8.230 nan 0.000 0.429 306 L N 1.400 122.634 121.223 0.019 0.000 2.249 306 L HA 0.193 4.533 4.340 -0.000 0.000 0.207 306 L C 0.770 177.631 176.870 -0.014 0.000 1.090 306 L CA 0.451 55.305 54.840 0.023 0.000 0.802 306 L CB -0.067 42.006 42.059 0.024 0.000 0.947 306 L HN 0.622 nan 8.230 nan 0.000 0.453 307 S N -1.502 114.176 115.700 -0.036 0.000 2.607 307 S HA 0.220 4.690 4.470 -0.000 0.000 0.273 307 S C 0.158 174.726 174.600 -0.053 0.000 1.148 307 S CA -0.617 57.559 58.200 -0.039 0.000 0.833 307 S CB 2.237 65.424 63.200 -0.023 0.000 1.130 307 S HN 0.207 nan 8.310 nan 0.000 0.470 308 E N 0.611 120.763 120.200 -0.079 0.000 2.447 308 E HA 0.230 4.580 4.350 -0.000 0.000 0.204 308 E C -0.131 176.288 176.600 -0.303 0.000 0.977 308 E CA 0.135 56.471 56.400 -0.105 0.000 0.950 308 E CB 0.159 29.802 29.700 -0.095 0.000 0.975 308 E HN 0.540 nan 8.360 nan 0.000 0.496 309 K N -0.211 120.003 120.400 -0.311 0.000 2.509 309 K HA 0.509 4.829 4.320 -0.000 0.000 0.266 309 K C -2.986 173.515 176.600 -0.164 0.000 0.987 309 K CA -2.282 53.696 56.287 -0.516 0.000 0.868 309 K CB 1.302 33.537 32.500 -0.442 0.000 1.421 309 K HN -0.307 nan 8.250 nan 0.000 0.444 310 P HA 0.021 nan 4.420 nan 0.000 0.263 310 P C -0.618 176.685 177.300 0.006 0.000 1.195 310 P CA 0.001 63.129 63.100 0.045 0.000 0.762 310 P CB 0.304 32.061 31.700 0.096 0.000 0.799 311 L N 2.951 124.183 121.223 0.014 0.000 2.473 311 L HA 0.096 4.436 4.340 -0.000 0.000 0.268 311 L C 0.952 177.830 176.870 0.013 0.000 1.215 311 L CA -0.344 54.498 54.840 0.004 0.000 0.823 311 L CB -0.011 42.052 42.059 0.006 0.000 1.099 311 L HN 0.446 nan 8.230 nan 0.000 0.483 312 D N 0.386 120.788 120.400 0.004 0.000 2.399 312 D HA 0.087 4.727 4.640 -0.000 0.000 0.241 312 D C 0.971 177.281 176.300 0.015 0.000 1.133 312 D CA -0.402 53.603 54.000 0.008 0.000 0.890 312 D CB 0.671 41.469 40.800 -0.003 0.000 1.201 312 D HN 0.327 nan 8.370 nan 0.000 0.432 313 L N 0.537 121.774 121.223 0.023 0.000 2.127 313 L HA -0.264 4.076 4.340 -0.000 0.000 0.211 313 L C 2.631 179.516 176.870 0.024 0.000 1.089 313 L CA 1.638 56.498 54.840 0.032 0.000 0.757 313 L CB -0.929 41.153 42.059 0.038 0.000 0.899 313 L HN 0.658 nan 8.230 nan 0.000 0.434 314 Q N -0.251 119.553 119.800 0.007 0.000 2.124 314 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 314 Q C 1.846 177.840 176.000 -0.010 0.000 0.977 314 Q CA 2.104 57.901 55.803 -0.009 0.000 0.850 314 Q CB -0.571 28.149 28.738 -0.030 0.000 0.901 314 Q HN 0.353 nan 8.270 nan 0.000 0.429 315 T N 1.035 115.585 114.554 -0.007 0.000 2.904 315 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 315 T C 1.696 176.411 174.700 0.025 0.000 1.059 315 T CA 1.381 63.480 62.100 -0.002 0.000 1.137 315 T CB -0.057 68.806 68.868 -0.009 0.000 0.879 315 T HN 0.398 nan 8.240 nan 0.000 0.467 316 Q N 0.303 120.123 119.800 0.033 0.000 2.046 316 Q HA -0.023 4.317 4.340 -0.000 0.000 0.200 316 Q C 2.336 178.375 176.000 0.065 0.000 0.975 316 Q CA 1.043 56.874 55.803 0.047 0.000 0.836 316 Q CB -0.342 28.426 28.738 0.050 0.000 0.896 316 Q HN 0.320 nan 8.270 nan 0.000 0.428 317 L N 0.774 122.037 121.223 0.067 0.000 2.046 317 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 317 L C 2.173 179.127 176.870 0.139 0.000 1.077 317 L CA 2.083 56.978 54.840 0.092 0.000 0.747 317 L CB -0.833 41.273 42.059 0.078 0.000 0.896 317 L HN 0.124 nan 8.230 nan 0.000 0.432 318 A N -0.471 122.417 122.820 0.113 0.000 1.940 318 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 318 A C 2.296 180.053 177.584 0.289 0.000 1.176 318 A CA 2.080 54.238 52.037 0.202 0.000 0.631 318 A CB -0.923 18.110 19.000 0.055 0.000 0.814 318 A HN 0.526 nan 8.150 nan 0.000 0.446 319 L N -0.876 120.439 121.223 0.154 0.000 2.056 319 L HA -0.116 4.223 4.340 -0.000 0.000 0.207 319 L C 2.862 179.784 176.870 0.086 0.000 1.078 319 L CA 1.096 55.992 54.840 0.093 0.000 0.749 319 L CB -0.780 41.305 42.059 0.044 0.000 0.901 319 L HN 0.493 nan 8.230 nan 0.000 0.433 320 G N -0.631 108.229 108.800 0.102 0.000 2.442 320 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.219 320 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.219 320 G C 1.526 176.472 174.900 0.077 0.000 1.141 320 G CA 0.667 45.814 45.100 0.078 0.000 0.763 320 G HN 0.319 nan 8.290 nan 0.000 0.554 321 F N 0.320 120.262 119.950 -0.012 0.000 2.146 321 F HA 0.082 4.609 4.527 -0.000 0.000 0.298 321 F C 2.311 177.972 175.800 -0.232 0.000 1.096 321 F CA 0.922 58.883 58.000 -0.064 0.000 1.275 321 F CB -0.012 39.011 39.000 0.038 0.000 1.008 321 F HN 0.116 nan 8.300 nan 0.000 0.480 322 L N 0.788 122.008 121.223 -0.004 0.000 2.046 322 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 322 L C 1.913 178.643 176.870 -0.233 0.000 1.077 322 L CA 2.272 56.917 54.840 -0.326 0.000 0.747 322 L CB -1.074 40.870 42.059 -0.193 0.000 0.896 322 L HN 0.214 nan 8.230 nan 0.000 0.432 323 D N -1.570 118.778 120.400 -0.086 0.000 2.106 323 D HA -0.317 4.323 4.640 -0.000 0.000 0.191 323 D C 2.271 178.531 176.300 -0.067 0.000 0.997 323 D CA 1.749 55.751 54.000 0.003 0.000 0.834 323 D CB -0.215 40.627 40.800 0.071 0.000 0.956 323 D HN 0.536 nan 8.370 nan 0.000 0.448 324 H N -0.508 118.430 119.070 -0.221 0.000 2.353 324 H HA -0.069 4.487 4.556 -0.000 0.000 0.300 324 H C 0.965 176.097 175.328 -0.326 0.000 1.090 324 H CA 0.512 56.391 56.048 -0.282 0.000 1.327 324 H CB -0.425 29.105 29.762 -0.388 0.000 1.383 324 H HN 0.160 nan 8.280 nan 0.000 0.508 328 G N 0.661 109.231 108.800 -0.383 0.000 2.448 328 G HA2 0.004 3.964 3.960 -0.000 0.000 0.218 328 G HA3 0.004 3.964 3.960 -0.000 0.000 0.218 328 G C 0.722 175.380 174.900 -0.402 0.000 1.135 328 G CA 1.505 46.233 45.100 -0.621 0.000 0.784 328 G HN 0.339 nan 8.290 nan 0.000 0.543 329 T N -4.421 109.969 114.554 -0.273 0.000 2.887 329 T HA 0.548 4.898 4.350 -0.000 0.000 0.292 329 T C -2.432 172.254 174.700 -0.023 0.000 1.087 329 T CA -1.529 60.496 62.100 -0.124 0.000 1.009 329 T CB 2.296 71.098 68.868 -0.110 0.000 1.203 329 T HN -0.202 nan 8.240 nan 0.000 0.518 330 P HA 0.038 nan 4.420 nan 0.000 0.218 330 P C 1.224 178.742 177.300 0.364 0.000 1.146 330 P CA 1.207 64.453 63.100 0.243 0.000 0.813 330 P CB -0.171 31.740 31.700 0.350 0.000 0.778 331 A N -1.467 121.418 122.820 0.107 0.000 2.218 331 A HA 0.107 4.427 4.320 -0.000 0.000 0.209 331 A C 1.025 178.552 177.584 -0.094 0.000 1.168 331 A CA 0.200 52.112 52.037 -0.207 0.000 0.804 331 A CB -0.694 17.942 19.000 -0.607 0.000 0.834 331 A HN 0.091 nan 8.150 nan 0.000 0.482 332 S N 2.177 117.845 115.700 -0.052 0.000 2.516 332 S HA 0.193 4.663 4.470 -0.000 0.000 0.282 332 S C -1.373 173.241 174.600 0.024 0.000 1.286 332 S CA -0.743 57.433 58.200 -0.040 0.000 1.066 332 S CB 0.762 63.901 63.200 -0.101 0.000 0.884 332 S HN 0.347 nan 8.310 nan 0.000 0.491 333 P HA -0.170 nan 4.420 nan 0.000 0.214 333 P C 1.606 178.941 177.300 0.057 0.000 1.163 333 P CA 0.706 63.841 63.100 0.057 0.000 0.889 333 P CB 0.064 31.799 31.700 0.060 0.000 0.790 334 L N 0.187 121.456 121.223 0.077 0.000 1.955 334 L HA -0.129 4.210 4.340 -0.000 0.000 0.213 334 L C 2.939 179.847 176.870 0.064 0.000 1.072 334 L CA 1.988 56.875 54.840 0.078 0.000 0.755 334 L CB -1.391 40.739 42.059 0.118 0.000 0.888 334 L HN -0.210 nan 8.230 nan 0.000 0.432 335 R N -0.357 120.176 120.500 0.055 0.000 2.096 335 R HA -0.265 4.075 4.340 -0.000 0.000 0.240 335 R C 2.501 178.835 176.300 0.057 0.000 1.139 335 R CA 2.295 58.420 56.100 0.043 0.000 0.952 335 R CB -0.393 29.920 30.300 0.023 0.000 0.854 335 R HN 0.423 nan 8.270 nan 0.000 0.436 336 K N 0.188 120.634 120.400 0.076 0.000 2.032 336 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 336 K C 2.086 178.729 176.600 0.071 0.000 1.048 336 K CA 1.956 58.307 56.287 0.107 0.000 0.927 336 K CB -0.133 32.447 32.500 0.134 0.000 0.712 336 K HN 0.258 nan 8.250 nan 0.000 0.441 337 I N 1.006 121.607 120.570 0.052 0.000 2.202 337 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 337 I C 2.185 178.319 176.117 0.027 0.000 1.091 337 I CA 0.959 62.279 61.300 0.035 0.000 1.368 337 I CB -0.130 37.886 38.000 0.026 0.000 1.058 337 I HN 0.163 nan 8.210 nan 0.000 0.410 338 L N -0.009 121.234 121.223 0.033 0.000 2.046 338 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 338 L C 2.506 179.384 176.870 0.014 0.000 1.077 338 L CA 1.332 56.187 54.840 0.025 0.000 0.747 338 L CB -0.507 41.571 42.059 0.032 0.000 0.896 338 L HN 0.263 nan 8.230 nan 0.000 0.432 339 L N -0.061 121.172 121.223 0.018 0.000 2.056 339 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 339 L C 2.633 179.497 176.870 -0.010 0.000 1.078 339 L CA 1.396 56.240 54.840 0.007 0.000 0.749 339 L CB -0.452 41.618 42.059 0.019 0.000 0.901 339 L HN 0.427 nan 8.230 nan 0.000 0.433 340 E N -0.301 119.897 120.200 -0.004 0.000 2.482 340 E HA -0.131 4.219 4.350 -0.000 0.000 0.196 340 E C 1.896 178.480 176.600 -0.026 0.000 1.047 340 E CA 0.948 57.334 56.400 -0.024 0.000 0.869 340 E CB -0.113 29.581 29.700 -0.010 0.000 0.836 340 E HN 0.458 nan 8.360 nan 0.000 0.520 341 S N 0.666 116.357 115.700 -0.014 0.000 2.447 341 S HA 0.007 4.477 4.470 -0.000 0.000 0.233 341 S C 1.902 176.488 174.600 -0.024 0.000 1.006 341 S CA 0.661 58.852 58.200 -0.015 0.000 0.957 341 S CB -0.594 62.603 63.200 -0.005 0.000 0.773 341 S HN 0.590 nan 8.310 nan 0.000 0.507 342 G N 1.089 109.871 108.800 -0.030 0.000 2.180 342 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.263 342 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.263 342 G C 0.534 175.419 174.900 -0.024 0.000 0.989 342 G CA 0.667 45.746 45.100 -0.035 0.000 0.692 342 G HN 0.578 nan 8.290 nan 0.000 0.526 343 L N -0.282 120.931 121.223 -0.017 0.000 2.395 343 L HA 0.368 4.708 4.340 -0.000 0.000 0.218 343 L C 1.668 178.533 176.870 -0.007 0.000 1.130 343 L CA 0.915 55.747 54.840 -0.012 0.000 0.826 343 L CB -0.137 41.917 42.059 -0.008 0.000 0.941 343 L HN 0.488 nan 8.230 nan 0.000 0.451 344 G N -1.530 107.265 108.800 -0.007 0.000 2.708 344 G HA2 0.320 4.280 3.960 -0.000 0.000 0.289 344 G HA3 0.320 4.280 3.960 -0.000 0.000 0.289 344 G C -0.172 174.724 174.900 -0.008 0.000 1.416 344 G CA -0.373 44.726 45.100 -0.003 0.000 0.829 344 G HN -0.074 nan 8.290 nan 0.000 0.480 345 E N -0.763 119.434 120.200 -0.005 0.000 2.102 345 E HA 0.392 4.742 4.350 -0.000 0.000 0.190 345 E C 0.921 177.515 176.600 -0.010 0.000 0.971 345 E CA 0.935 57.330 56.400 -0.008 0.000 0.821 345 E CB 0.474 30.172 29.700 -0.003 0.000 0.777 345 E HN 0.626 nan 8.360 nan 0.000 0.460 346 A N 0.126 122.938 122.820 -0.013 0.000 2.601 346 A HA 0.478 4.798 4.320 -0.000 0.000 0.291 346 A C -1.196 176.374 177.584 -0.023 0.000 1.075 346 A CA -0.809 51.219 52.037 -0.016 0.000 0.671 346 A CB 0.556 19.544 19.000 -0.020 0.000 1.277 346 A HN 0.041 nan 8.150 nan 0.000 0.417 347 L N 0.293 121.500 121.223 -0.026 0.000 2.476 347 L HA 0.578 4.918 4.340 -0.000 0.000 0.264 347 L C -0.033 176.804 176.870 -0.054 0.000 1.224 347 L CA -0.288 54.531 54.840 -0.035 0.000 0.821 347 L CB 0.967 43.005 42.059 -0.035 0.000 1.101 347 L HN 0.568 nan 8.230 nan 0.000 0.488 348 V N 0.816 120.690 119.914 -0.067 0.000 3.048 348 V HA 0.231 4.351 4.120 -0.000 0.000 0.303 348 V C 0.119 176.151 176.094 -0.103 0.000 1.214 348 V CA 0.086 62.334 62.300 -0.088 0.000 0.984 348 V CB 2.110 33.876 31.823 -0.096 0.000 1.054 348 V HN 0.898 nan 8.190 nan 0.000 0.430 349 S N 3.474 119.105 115.700 -0.115 0.000 3.559 349 S HA -0.140 4.330 4.470 -0.000 0.000 0.369 349 S C -0.013 174.490 174.600 -0.161 0.000 0.987 349 S CA 1.167 59.288 58.200 -0.131 0.000 1.187 349 S CB -1.058 62.066 63.200 -0.127 0.000 0.914 349 S HN 1.332 nan 8.310 nan 0.000 0.480 350 S N 0.636 116.238 115.700 -0.163 0.000 2.482 350 S HA 0.874 5.343 4.470 -0.000 0.000 0.303 350 S C 0.419 174.882 174.600 -0.228 0.000 1.091 350 S CA -0.059 58.011 58.200 -0.216 0.000 1.057 350 S CB 1.722 64.837 63.200 -0.142 0.000 1.031 350 S HN 1.986 nan 8.310 nan 0.000 0.485 351 G N 0.978 109.548 108.800 -0.383 0.000 2.423 351 G HA2 0.092 4.052 3.960 -0.000 0.000 0.684 351 G HA3 0.092 4.052 3.960 -0.000 0.000 0.684 351 G C -1.600 173.219 174.900 -0.135 0.000 1.309 351 G CA -1.043 43.943 45.100 -0.190 0.000 0.950 351 G HN 0.754 nan 8.290 nan 0.000 0.587 352 L N 0.885 122.205 121.223 0.161 0.000 2.331 352 L HA 0.736 5.076 4.340 -0.000 0.000 0.278 352 L C 0.813 177.721 176.870 0.063 0.000 1.106 352 L CA 0.543 55.513 54.840 0.217 0.000 0.824 352 L CB 1.503 43.693 42.059 0.219 0.000 1.142 352 L HN 1.416 nan 8.230 nan 0.000 0.443 353 S N 2.829 118.555 115.700 0.044 0.000 2.707 353 S HA 0.500 4.970 4.470 -0.000 0.000 0.312 353 S C -0.430 174.174 174.600 0.005 0.000 1.116 353 S CA -0.405 57.794 58.200 -0.003 0.000 1.078 353 S CB 0.712 63.887 63.200 -0.043 0.000 0.997 353 S HN 0.745 nan 8.310 nan 0.000 0.477 354 D N 2.547 122.952 120.400 0.009 0.000 2.571 354 D HA 0.137 4.777 4.640 -0.000 0.000 0.239 354 D C 0.632 176.943 176.300 0.019 0.000 1.267 354 D CA -0.303 53.706 54.000 0.014 0.000 0.823 354 D CB 0.110 40.930 40.800 0.033 0.000 1.056 354 D HN 0.656 nan 8.370 nan 0.000 0.494 355 E N 0.055 120.264 120.200 0.014 0.000 2.371 355 E HA 0.124 4.474 4.350 -0.000 0.000 0.194 355 E C 0.622 177.279 176.600 0.096 0.000 1.012 355 E CA 0.301 56.727 56.400 0.044 0.000 0.860 355 E CB 0.348 30.081 29.700 0.055 0.000 0.811 355 E HN 0.335 nan 8.360 nan 0.000 0.502 356 L N -0.404 120.834 121.223 0.025 0.000 2.751 356 L HA 0.159 4.499 4.340 -0.000 0.000 0.241 356 L C 1.219 178.004 176.870 -0.140 0.000 1.146 356 L CA -0.722 54.125 54.840 0.012 0.000 0.879 356 L CB -0.098 41.752 42.059 -0.349 0.000 1.687 356 L HN 0.064 nan 8.230 nan 0.000 0.527 357 L N -0.314 120.717 121.223 -0.320 0.000 2.093 357 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 357 L C 0.461 177.144 176.870 -0.312 0.000 1.085 357 L CA 1.798 56.181 54.840 -0.761 0.000 0.755 357 L CB -0.161 41.472 42.059 -0.710 0.000 0.904 357 L HN 0.498 nan 8.230 nan 0.000 0.435 358 Q N 0.531 120.254 119.800 -0.129 0.000 2.365 358 Q HA 0.421 4.761 4.340 -0.000 0.000 0.269 358 Q C -2.359 173.614 176.000 -0.045 0.000 1.061 358 Q CA -2.278 53.507 55.803 -0.029 0.000 0.816 358 Q CB 1.509 30.258 28.738 0.019 0.000 1.325 358 Q HN 0.047 nan 8.270 nan 0.000 0.446 359 P HA -0.070 nan 4.420 nan 0.000 0.271 359 P C -1.343 175.973 177.300 0.027 0.000 1.216 359 P CA -0.077 63.030 63.100 0.011 0.000 0.776 359 P CB 0.743 32.463 31.700 0.033 0.000 0.881 360 Q N 2.350 122.180 119.800 0.050 0.000 2.356 360 Q HA 0.555 4.895 4.340 -0.000 0.000 0.270 360 Q C -2.153 173.964 176.000 0.194 0.000 1.058 360 Q CA -0.794 55.065 55.803 0.093 0.000 0.802 360 Q CB 1.429 30.174 28.738 0.012 0.000 1.303 360 Q HN 0.349 nan 8.270 nan 0.000 0.444 361 F N 1.826 121.856 119.950 0.134 0.000 2.520 361 F HA 0.813 5.340 4.527 -0.000 0.000 0.322 361 F C -0.617 175.347 175.800 0.275 0.000 1.103 361 F CA -0.322 57.774 58.000 0.161 0.000 0.926 361 F CB 2.126 41.194 39.000 0.112 0.000 1.154 361 F HN 0.620 nan 8.300 nan 0.000 0.453 362 G N 5.123 113.528 108.800 -0.658 0.000 2.563 362 G HA2 0.686 4.646 3.960 -0.000 0.000 0.302 362 G HA3 0.686 4.646 3.960 -0.000 0.000 0.302 362 G C -2.436 172.104 174.900 -0.600 0.000 1.301 362 G CA -0.776 44.082 45.100 -0.403 0.000 0.965 362 G HN 0.713 nan 8.290 nan 0.000 0.480 363 I N 0.171 120.614 120.570 -0.212 0.000 2.722 363 I HA 0.845 5.015 4.170 -0.000 0.000 0.292 363 I C -0.109 175.987 176.117 -0.037 0.000 1.267 363 I CA -0.058 61.175 61.300 -0.111 0.000 1.036 363 I CB 2.000 40.030 38.000 0.050 0.000 1.281 363 I HN 1.174 nan 8.210 nan 0.000 0.423 364 G N 5.922 114.697 108.800 -0.042 0.000 2.495 364 G HA2 0.608 4.568 3.960 -0.000 0.000 0.294 364 G HA3 0.608 4.568 3.960 -0.000 0.000 0.294 364 G C -2.324 172.559 174.900 -0.028 0.000 1.397 364 G CA -0.747 44.335 45.100 -0.030 0.000 0.790 364 G HN 0.647 nan 8.290 nan 0.000 0.486 365 L N -0.038 121.172 121.223 -0.022 0.000 2.354 365 L HA 0.648 4.988 4.340 -0.000 0.000 0.264 365 L C -0.005 176.850 176.870 -0.026 0.000 1.008 365 L CA -1.021 53.807 54.840 -0.020 0.000 0.819 365 L CB 2.696 44.752 42.059 -0.005 0.000 1.339 365 L HN 0.826 nan 8.230 nan 0.000 0.420 366 K N -0.392 119.990 120.400 -0.030 0.000 2.306 366 K HA 0.821 5.141 4.320 -0.000 0.000 0.236 366 K C 0.403 177.003 176.600 -0.001 0.000 1.013 366 K CA -0.415 55.855 56.287 -0.029 0.000 0.857 366 K CB 1.666 34.126 32.500 -0.067 0.000 1.214 366 K HN 0.635 nan 8.250 nan 0.000 0.449 367 G N -0.214 108.600 108.800 0.024 0.000 2.182 367 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.248 367 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.248 367 G C -0.440 174.487 174.900 0.045 0.000 1.042 367 G CA -0.018 45.106 45.100 0.039 0.000 0.775 367 G HN 0.361 nan 8.290 nan 0.000 0.501 368 V N 0.952 120.907 119.914 0.068 0.000 2.383 368 V HA 0.534 4.654 4.120 -0.000 0.000 0.275 368 V C 1.221 177.350 176.094 0.059 0.000 1.036 368 V CA -0.205 62.126 62.300 0.051 0.000 0.889 368 V CB 1.545 33.397 31.823 0.048 0.000 0.985 368 V HN 0.437 nan 8.190 nan 0.000 0.459 369 S N 2.870 118.574 115.700 0.007 0.000 2.558 369 S HA -0.051 4.419 4.470 -0.000 0.000 0.291 369 S C 1.430 175.924 174.600 -0.177 0.000 1.306 369 S CA 0.195 58.373 58.200 -0.037 0.000 1.056 369 S CB 0.437 63.613 63.200 -0.039 0.000 0.836 369 S HN 0.976 nan 8.310 nan 0.000 0.504 370 E N 2.027 122.026 120.200 -0.335 0.000 2.114 370 E HA -0.286 4.064 4.350 -0.000 0.000 0.199 370 E C 1.506 177.905 176.600 -0.336 0.000 1.008 370 E CA 2.082 58.074 56.400 -0.680 0.000 0.810 370 E CB -0.031 29.397 29.700 -0.454 0.000 0.739 370 E HN 0.814 nan 8.360 nan 0.000 0.456 371 E N -0.179 119.912 120.200 -0.181 0.000 2.274 371 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 371 E C 1.400 177.949 176.600 -0.086 0.000 0.996 371 E CA 0.881 57.215 56.400 -0.109 0.000 0.840 371 E CB -0.000 29.657 29.700 -0.072 0.000 0.772 371 E HN 0.171 nan 8.360 nan 0.000 0.491 372 N N 0.284 118.931 118.700 -0.089 0.000 2.336 372 N HA 0.036 4.776 4.740 -0.000 0.000 0.189 372 N C 1.247 176.728 175.510 -0.048 0.000 1.113 372 N CA 0.187 53.204 53.050 -0.055 0.000 0.858 372 N CB 0.510 38.972 38.487 -0.042 0.000 0.970 372 N HN 0.068 nan 8.380 nan 0.000 0.471 373 V N 1.108 120.980 119.914 -0.070 0.000 2.392 373 V HA -0.258 3.862 4.120 -0.000 0.000 0.249 373 V C 2.530 178.611 176.094 -0.021 0.000 1.059 373 V CA 1.718 63.994 62.300 -0.040 0.000 1.051 373 V CB -0.380 31.413 31.823 -0.050 0.000 0.658 373 V HN 0.311 nan 8.190 nan 0.000 0.455 374 Q N 0.390 120.174 119.800 -0.026 0.000 2.079 374 Q HA -0.176 4.164 4.340 -0.000 0.000 0.200 374 Q C 2.172 178.168 176.000 -0.006 0.000 0.974 374 Q CA 1.742 57.537 55.803 -0.014 0.000 0.840 374 Q CB -0.239 28.489 28.738 -0.017 0.000 0.898 374 Q HN 0.546 nan 8.270 nan 0.000 0.430 375 K N -0.495 119.899 120.400 -0.010 0.000 2.063 375 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 375 K C 2.018 178.620 176.600 0.005 0.000 1.048 375 K CA 1.540 57.825 56.287 -0.004 0.000 0.928 375 K CB -0.167 32.327 32.500 -0.010 0.000 0.713 375 K HN 0.099 nan 8.250 nan 0.000 0.442 376 V N 1.505 121.421 119.914 0.003 0.000 2.287 376 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 376 V C 2.299 178.408 176.094 0.025 0.000 1.053 376 V CA 1.968 64.276 62.300 0.012 0.000 1.027 376 V CB -0.438 31.390 31.823 0.009 0.000 0.646 376 V HN 0.410 nan 8.190 nan 0.000 0.447 377 E N -0.109 120.104 120.200 0.021 0.000 2.110 377 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 377 E C 2.181 178.811 176.600 0.049 0.000 0.988 377 E CA 1.545 57.965 56.400 0.033 0.000 0.804 377 E CB -0.030 29.680 29.700 0.016 0.000 0.745 377 E HN 0.714 nan 8.360 nan 0.000 0.458 378 E N 0.057 120.278 120.200 0.035 0.000 2.072 378 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 378 E C 2.093 178.719 176.600 0.043 0.000 0.985 378 E CA 0.766 57.188 56.400 0.037 0.000 0.801 378 E CB -0.068 29.645 29.700 0.022 0.000 0.750 378 E HN 0.186 nan 8.360 nan 0.000 0.452 379 L N 1.369 122.615 121.223 0.037 0.000 2.083 379 L HA -0.055 4.285 4.340 -0.000 0.000 0.209 379 L C 1.044 177.948 176.870 0.058 0.000 1.083 379 L CA 1.220 56.082 54.840 0.037 0.000 0.752 379 L CB -0.239 41.836 42.059 0.027 0.000 0.899 379 L HN 0.010 nan 8.230 nan 0.000 0.433 383 T N 1.462 116.029 114.554 0.022 0.000 2.737 383 T HA 0.006 4.356 4.350 -0.000 0.000 0.265 383 T C 2.175 176.867 174.700 -0.012 0.000 1.038 383 T CA 0.893 62.996 62.100 0.006 0.000 1.144 383 T CB -0.224 68.660 68.868 0.028 0.000 0.866 383 T HN 0.065 nan 8.240 nan 0.000 0.434 384 L N 0.564 121.794 121.223 0.010 0.000 2.079 384 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 384 L C 2.664 179.504 176.870 -0.049 0.000 1.081 384 L CA 1.318 56.143 54.840 -0.026 0.000 0.752 384 L CB -0.404 41.636 42.059 -0.031 0.000 0.896 384 L HN 0.193 nan 8.230 nan 0.000 0.433 385 K N 0.554 120.939 120.400 -0.026 0.000 2.025 385 K HA -0.241 4.079 4.320 -0.000 0.000 0.207 385 K C 2.224 178.793 176.600 -0.052 0.000 1.049 385 K CA 1.469 57.738 56.287 -0.030 0.000 0.933 385 K CB 0.002 32.498 32.500 -0.008 0.000 0.714 385 K HN 0.066 nan 8.250 nan 0.000 0.438 386 K N 0.619 120.984 120.400 -0.058 0.000 2.063 386 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 386 K C 1.918 178.430 176.600 -0.145 0.000 1.048 386 K CA 1.513 57.750 56.287 -0.083 0.000 0.928 386 K CB -0.083 32.375 32.500 -0.069 0.000 0.713 386 K HN 0.133 nan 8.250 nan 0.000 0.442 387 L N 0.220 121.330 121.223 -0.189 0.000 2.156 387 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 387 L C 2.607 179.315 176.870 -0.270 0.000 1.095 387 L CA 0.948 55.572 54.840 -0.360 0.000 0.770 387 L CB -0.474 41.331 42.059 -0.424 0.000 0.914 387 L HN 0.267 nan 8.230 nan 0.000 0.439 388 A N 0.710 123.450 122.820 -0.133 0.000 1.969 388 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 388 A C 2.249 179.797 177.584 -0.059 0.000 1.169 388 A CA 1.793 53.791 52.037 -0.065 0.000 0.635 388 A CB -0.345 18.626 19.000 -0.048 0.000 0.810 388 A HN 0.634 nan 8.150 nan 0.000 0.445 389 E N -0.653 119.502 120.200 -0.075 0.000 2.201 389 E HA -0.032 4.318 4.350 -0.000 0.000 0.193 389 E C 1.422 177.984 176.600 -0.063 0.000 0.957 389 E CA 0.738 57.105 56.400 -0.055 0.000 0.858 389 E CB -0.294 29.380 29.700 -0.043 0.000 0.816 389 E HN 0.688 nan 8.360 nan 0.000 0.475 390 E N 1.154 121.295 120.200 -0.099 0.000 2.276 390 E HA 0.175 4.525 4.350 -0.000 0.000 0.193 390 E C 0.937 177.466 176.600 -0.117 0.000 0.983 390 E CA 0.290 56.630 56.400 -0.101 0.000 0.861 390 E CB 0.421 30.053 29.700 -0.113 0.000 0.817 390 E HN 0.361 nan 8.360 nan 0.000 0.485 391 G N 1.129 109.816 108.800 -0.189 0.000 2.693 391 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.226 391 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.226 391 G C -0.674 174.012 174.900 -0.356 0.000 1.354 391 G CA -0.481 44.520 45.100 -0.165 0.000 0.873 391 G HN 0.141 nan 8.290 nan 0.000 0.562 392 F N 0.653 120.636 119.950 0.055 0.000 2.480 392 F HA 0.481 5.008 4.527 -0.000 0.000 0.329 392 F C 0.601 176.424 175.800 0.038 0.000 1.091 392 F CA -0.303 57.717 58.000 0.033 0.000 0.972 392 F CB 1.707 40.723 39.000 0.027 0.000 1.150 392 F HN 0.559 nan 8.300 nan 0.000 0.467 393 D N 1.933 122.439 120.400 0.178 0.000 2.525 393 D HA -0.102 4.538 4.640 -0.000 0.000 0.235 393 D C 0.949 177.330 176.300 0.135 0.000 1.137 393 D CA 0.509 54.578 54.000 0.114 0.000 0.868 393 D CB 0.636 41.477 40.800 0.068 0.000 1.180 393 D HN 0.443 nan 8.370 nan 0.000 0.465 394 N N 2.761 121.521 118.700 0.101 0.000 2.289 394 N HA -0.147 4.593 4.740 -0.000 0.000 0.184 394 N C 0.701 176.256 175.510 0.075 0.000 1.016 394 N CA 0.634 53.741 53.050 0.094 0.000 0.872 394 N CB 0.104 38.632 38.487 0.069 0.000 0.973 394 N HN 0.507 nan 8.380 nan 0.000 0.433 395 D N 0.611 121.043 120.400 0.053 0.000 2.178 395 D HA -0.028 4.612 4.640 -0.000 0.000 0.202 395 D C 1.759 178.076 176.300 0.028 0.000 0.974 395 D CA 0.644 54.662 54.000 0.030 0.000 0.841 395 D CB -0.060 40.746 40.800 0.010 0.000 0.953 395 D HN 0.219 nan 8.370 nan 0.000 0.478 396 A N 0.287 123.133 122.820 0.044 0.000 1.929 396 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 396 A C 2.463 180.070 177.584 0.039 0.000 1.176 396 A CA 0.797 52.852 52.037 0.031 0.000 0.628 396 A CB -0.498 18.544 19.000 0.071 0.000 0.816 396 A HN 0.125 nan 8.150 nan 0.000 0.444 397 V N -0.088 119.885 119.914 0.100 0.000 2.358 397 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 397 V C 2.471 178.682 176.094 0.195 0.000 1.047 397 V CA 2.247 64.657 62.300 0.183 0.000 1.035 397 V CB -0.667 31.287 31.823 0.218 0.000 0.658 397 V HN 0.734 nan 8.190 nan 0.000 0.452 398 E N 0.051 120.320 120.200 0.116 0.000 2.110 398 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 398 E C 2.235 178.864 176.600 0.047 0.000 0.988 398 E CA 1.224 57.676 56.400 0.086 0.000 0.804 398 E CB -0.212 29.521 29.700 0.054 0.000 0.745 398 E HN 0.579 nan 8.360 nan 0.000 0.458 399 A N 0.490 123.321 122.820 0.018 0.000 1.902 399 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 399 A C 1.701 179.258 177.584 -0.045 0.000 1.181 399 A CA 0.995 53.022 52.037 -0.017 0.000 0.623 399 A CB -0.339 18.643 19.000 -0.029 0.000 0.818 399 A HN 0.210 nan 8.150 nan 0.000 0.443 403 T N 1.595 116.103 114.554 -0.076 0.000 2.708 403 T HA 0.082 4.432 4.350 -0.000 0.000 0.266 403 T C 1.837 176.467 174.700 -0.117 0.000 1.037 403 T CA 1.154 63.189 62.100 -0.108 0.000 1.146 403 T CB -0.164 68.602 68.868 -0.169 0.000 0.865 403 T HN 0.156 nan 8.240 nan 0.000 0.435 404 I N 1.483 121.911 120.570 -0.237 0.000 2.202 404 I HA -0.176 3.994 4.170 -0.000 0.000 0.242 404 I C 2.832 178.882 176.117 -0.110 0.000 1.091 404 I CA 1.413 62.575 61.300 -0.230 0.000 1.368 404 I CB -0.462 37.365 38.000 -0.288 0.000 1.058 404 I HN 0.460 nan 8.210 nan 0.000 0.410 405 E N 0.928 121.108 120.200 -0.033 0.000 2.150 405 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 405 E C 2.250 178.858 176.600 0.014 0.000 0.985 405 E CA 1.229 57.628 56.400 -0.002 0.000 0.814 405 E CB -0.681 29.046 29.700 0.046 0.000 0.752 405 E HN 0.474 nan 8.360 nan 0.000 0.466 406 F N 2.624 122.527 119.950 -0.078 0.000 2.102 406 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 406 F C 2.358 178.112 175.800 -0.076 0.000 1.105 406 F CA 1.966 59.923 58.000 -0.072 0.000 1.239 406 F CB -0.143 38.809 39.000 -0.081 0.000 0.991 406 F HN -0.080 nan 8.300 nan 0.000 0.474 407 S N 0.988 116.751 115.700 0.106 0.000 2.382 407 S HA -0.172 4.298 4.470 -0.000 0.000 0.228 407 S C 2.070 176.598 174.600 -0.121 0.000 1.027 407 S CA 1.530 59.734 58.200 0.007 0.000 0.991 407 S CB -0.613 62.587 63.200 0.001 0.000 0.823 407 S HN 0.370 nan 8.310 nan 0.000 0.469 408 L N 0.999 122.117 121.223 -0.175 0.000 2.046 408 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 408 L C 2.823 179.637 176.870 -0.092 0.000 1.077 408 L CA 1.247 55.942 54.840 -0.241 0.000 0.747 408 L CB -0.451 41.294 42.059 -0.523 0.000 0.896 408 L HN 0.253 nan 8.230 nan 0.000 0.432 409 R N 0.430 120.855 120.500 -0.126 0.000 2.057 409 R HA -0.187 4.153 4.340 -0.000 0.000 0.229 409 R C 2.219 178.404 176.300 -0.193 0.000 1.136 409 R CA 1.690 57.716 56.100 -0.124 0.000 0.952 409 R CB -0.172 30.013 30.300 -0.192 0.000 0.848 409 R HN 0.367 nan 8.270 nan 0.000 0.430 410 E N 0.742 120.719 120.200 -0.372 0.000 2.051 410 E HA -0.265 4.085 4.350 -0.000 0.000 0.192 410 E C 0.104 176.650 176.600 -0.090 0.000 0.991 410 E CA 1.222 57.441 56.400 -0.301 0.000 0.799 410 E CB -0.128 29.331 29.700 -0.401 0.000 0.748 410 E HN 0.471 nan 8.360 nan 0.000 0.449 411 N N 0.866 119.527 118.700 -0.065 0.000 2.756 411 N HA -0.193 4.547 4.740 -0.000 0.000 0.248 411 N C -0.986 174.543 175.510 0.032 0.000 1.062 411 N CA 0.206 53.258 53.050 0.002 0.000 0.696 411 N CB -1.224 37.291 38.487 0.046 0.000 0.946 411 N HN 0.082 nan 8.380 nan 0.000 0.548 412 N N 0.999 119.715 118.700 0.027 0.000 2.521 412 N HA 0.103 4.843 4.740 -0.000 0.000 0.236 412 N C 0.955 176.485 175.510 0.033 0.000 1.067 412 N CA 0.320 53.397 53.050 0.044 0.000 0.939 412 N CB 0.737 39.261 38.487 0.062 0.000 1.201 412 N HN 0.340 nan 8.380 nan 0.000 0.511 413 T N 0.117 114.708 114.554 0.062 0.000 3.144 413 T HA 0.296 4.646 4.350 -0.000 0.000 0.249 413 T C 1.189 175.953 174.700 0.107 0.000 1.089 413 T CA 0.099 62.250 62.100 0.084 0.000 0.989 413 T CB -0.327 68.643 68.868 0.170 0.000 0.992 413 T HN 0.514 nan 8.240 nan 0.000 0.540 414 G N 2.417 111.255 108.800 0.063 0.000 2.591 414 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.298 414 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.298 414 G C 1.111 176.081 174.900 0.116 0.000 1.195 414 G CA 0.924 46.056 45.100 0.052 0.000 0.989 414 G HN 1.234 nan 8.290 nan 0.000 0.551 415 S N -0.410 115.379 115.700 0.149 0.000 2.593 415 S HA 0.467 4.937 4.470 -0.000 0.000 0.217 415 S C 0.508 175.278 174.600 0.283 0.000 0.966 415 S CA 0.712 59.028 58.200 0.194 0.000 0.914 415 S CB 0.098 63.395 63.200 0.162 0.000 0.776 415 S HN 0.921 nan 8.310 nan 0.000 0.523 416 F N 3.581 123.592 119.950 0.102 0.000 2.404 416 F HA 0.522 5.049 4.527 -0.000 0.000 0.345 416 F C -2.757 173.047 175.800 0.006 0.000 1.110 416 F CA -2.557 55.481 58.000 0.063 0.000 1.130 416 F CB 0.959 39.964 39.000 0.009 0.000 1.129 416 F HN -0.042 nan 8.300 nan 0.000 0.500 417 P HA 0.171 nan 4.420 nan 0.000 0.271 417 P C 0.159 177.373 177.300 -0.143 0.000 1.216 417 P CA 0.050 63.042 63.100 -0.179 0.000 0.771 417 P CB 0.725 32.258 31.700 -0.278 0.000 0.864 418 R N 2.530 122.994 120.500 -0.060 0.000 2.096 418 R HA -0.151 4.189 4.340 -0.000 0.000 0.240 418 R C 2.317 178.415 176.300 -0.336 0.000 1.139 418 R CA 2.073 58.126 56.100 -0.078 0.000 0.952 418 R CB -1.198 29.122 30.300 0.034 0.000 0.854 418 R HN 0.640 nan 8.270 nan 0.000 0.436 419 G N 0.592 108.964 108.800 -0.714 0.000 2.509 419 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 419 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 419 G C 1.253 175.880 174.900 -0.455 0.000 1.124 419 G CA 0.172 44.532 45.100 -1.234 0.000 0.776 419 G HN 0.161 nan 8.290 nan 0.000 0.547 420 L N 0.203 121.181 121.223 -0.408 0.000 2.202 420 L HA 0.266 4.606 4.340 -0.000 0.000 0.205 420 L C 2.778 179.489 176.870 -0.264 0.000 1.083 420 L CA 1.872 56.445 54.840 -0.445 0.000 0.790 420 L CB -0.548 41.041 42.059 -0.784 0.000 0.942 420 L HN 0.151 nan 8.230 nan 0.000 0.452 421 S N -0.613 115.054 115.700 -0.054 0.000 2.359 421 S HA -0.099 4.371 4.470 -0.000 0.000 0.224 421 S C 1.306 175.823 174.600 -0.139 0.000 1.035 421 S CA 0.570 58.794 58.200 0.038 0.000 1.018 421 S CB -0.393 62.859 63.200 0.087 0.000 0.876 421 S HN 0.298 nan 8.310 nan 0.000 0.448 425 Q N 0.552 120.240 119.800 -0.187 0.000 2.045 425 Q HA -0.240 4.100 4.340 -0.000 0.000 0.206 425 Q C 2.158 178.105 176.000 -0.089 0.000 0.991 425 Q CA 2.426 58.166 55.803 -0.106 0.000 0.851 425 Q CB -0.218 28.481 28.738 -0.065 0.000 0.911 425 Q HN 0.434 nan 8.270 nan 0.000 0.418 426 S N 0.069 115.681 115.700 -0.145 0.000 2.368 426 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 426 S C 1.915 176.550 174.600 0.057 0.000 1.030 426 S CA 0.723 58.889 58.200 -0.058 0.000 0.999 426 S CB -0.109 63.047 63.200 -0.073 0.000 0.844 426 S HN 0.252 nan 8.310 nan 0.000 0.459 427 I N 2.476 123.036 120.570 -0.017 0.000 2.286 427 I HA -0.114 4.056 4.170 -0.000 0.000 0.248 427 I C 2.639 178.681 176.117 -0.124 0.000 1.115 427 I CA 1.702 62.977 61.300 -0.043 0.000 1.392 427 I CB -1.673 36.186 38.000 -0.235 0.000 1.065 427 I HN 0.528 nan 8.210 nan 0.000 0.418 428 S N 0.342 115.979 115.700 -0.104 0.000 2.440 428 S HA -0.147 4.323 4.470 -0.000 0.000 0.238 428 S C 1.786 176.455 174.600 0.115 0.000 1.010 428 S CA 0.847 59.027 58.200 -0.033 0.000 0.972 428 S CB -0.030 63.173 63.200 0.004 0.000 0.774 428 S HN 0.318 nan 8.310 nan 0.000 0.501 429 K N -0.338 120.131 120.400 0.116 0.000 2.306 429 K HA 0.174 4.494 4.320 -0.000 0.000 0.200 429 K C 1.542 178.264 176.600 0.202 0.000 1.083 429 K CA 0.379 56.791 56.287 0.207 0.000 0.959 429 K CB -0.886 31.714 32.500 0.165 0.000 0.994 429 K HN 0.477 nan 8.250 nan 0.000 0.492 430 W N 2.492 123.747 121.300 -0.075 0.000 2.321 430 W HA -0.154 4.506 4.660 -0.000 0.000 0.306 430 W C 1.778 178.204 176.519 -0.154 0.000 1.217 430 W CA 0.876 58.168 57.345 -0.089 0.000 1.257 430 W CB -0.679 28.717 29.460 -0.106 0.000 1.145 430 W HN 0.010 nan 8.180 nan 0.000 0.509 431 I N -0.066 120.363 120.570 -0.235 0.000 2.700 431 I HA -0.269 3.901 4.170 -0.000 0.000 0.261 431 I C 1.021 176.828 176.117 -0.517 0.000 1.219 431 I CA 1.389 62.370 61.300 -0.532 0.000 1.463 431 I CB -0.508 37.057 38.000 -0.725 0.000 1.092 431 I HN -0.077 nan 8.210 nan 0.000 0.452 432 Y N 0.999 121.301 120.300 0.003 0.000 2.658 432 Y HA 0.282 4.832 4.550 -0.000 0.000 0.276 432 Y C 0.511 176.443 175.900 0.054 0.000 1.167 432 Y CA -1.229 56.870 58.100 -0.001 0.000 1.230 432 Y CB -1.013 37.438 38.460 -0.015 0.000 1.144 432 Y HN 0.112 nan 8.280 nan 0.000 0.529 436 P HA 0.023 nan 4.420 nan 0.000 0.229 436 P C 1.046 178.143 177.300 -0.338 0.000 1.160 436 P CA 0.523 63.369 63.100 -0.424 0.000 0.777 436 P CB 0.100 31.056 31.700 -1.240 0.000 0.814 437 F N 0.632 120.510 119.950 -0.120 0.000 2.270 437 F HA 0.027 4.554 4.527 -0.000 0.000 0.295 437 F C 2.636 178.420 175.800 -0.026 0.000 1.087 437 F CA 0.759 58.717 58.000 -0.070 0.000 1.365 437 F CB -0.836 38.115 39.000 -0.081 0.000 1.056 437 F HN -0.089 nan 8.300 nan 0.000 0.506 438 E N 1.261 121.564 120.200 0.172 0.000 2.058 438 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 438 E C -0.743 175.913 176.600 0.094 0.000 0.997 438 E CA 1.424 57.892 56.400 0.113 0.000 0.801 438 E CB -1.297 28.462 29.700 0.097 0.000 0.746 438 E HN 0.120 nan 8.360 nan 0.000 0.450 439 P HA -0.106 nan 4.420 nan 0.000 0.231 439 P C 0.685 178.043 177.300 0.097 0.000 1.158 439 P CA 0.962 64.111 63.100 0.081 0.000 0.763 439 P CB -0.025 31.710 31.700 0.058 0.000 0.805 440 L N -0.999 120.283 121.223 0.097 0.000 2.509 440 L HA 0.081 4.421 4.340 -0.000 0.000 0.222 440 L C 1.147 178.054 176.870 0.061 0.000 1.123 440 L CA 0.359 55.263 54.840 0.106 0.000 0.856 440 L CB -0.528 41.599 42.059 0.113 0.000 0.985 440 L HN 0.037 nan 8.230 nan 0.000 0.456 441 K N 0.124 120.551 120.400 0.046 0.000 2.138 441 K HA 0.358 4.678 4.320 -0.000 0.000 0.263 441 K C -0.462 176.163 176.600 0.042 0.000 0.965 441 K CA -0.590 55.666 56.287 -0.052 0.000 0.868 441 K CB 1.540 34.015 32.500 -0.041 0.000 1.083 441 K HN -0.000 nan 8.250 nan 0.000 0.443 442 Y N -1.624 118.688 120.300 0.021 0.000 2.506 442 Y HA 0.011 4.561 4.550 -0.000 0.000 0.290 442 Y C 1.643 177.555 175.900 0.018 0.000 1.003 442 Y CA 0.147 58.260 58.100 0.021 0.000 1.082 442 Y CB -0.589 37.884 38.460 0.022 0.000 1.399 442 Y HN 0.605 nan 8.280 nan 0.000 0.586 443 T N -1.191 113.305 114.554 -0.098 0.000 2.708 443 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 443 T C 1.426 176.156 174.700 0.050 0.000 1.037 443 T CA 1.813 63.931 62.100 0.030 0.000 1.146 443 T CB -0.301 68.517 68.868 -0.084 0.000 0.865 443 T HN 0.267 nan 8.240 nan 0.000 0.435 444 E N 2.005 122.210 120.200 0.009 0.000 2.028 444 E HA 0.008 4.358 4.350 -0.000 0.000 0.191 444 E C 0.026 176.643 176.600 0.028 0.000 0.988 444 E CA 1.169 57.577 56.400 0.013 0.000 0.799 444 E CB -1.772 27.926 29.700 -0.003 0.000 0.755 444 E HN 0.433 nan 8.360 nan 0.000 0.447 445 P HA -0.140 nan 4.420 nan 0.000 0.216 445 P C 1.667 178.996 177.300 0.048 0.000 1.153 445 P CA 0.843 63.971 63.100 0.045 0.000 0.858 445 P CB 0.004 31.746 31.700 0.070 0.000 0.789 446 L N -0.162 121.114 121.223 0.090 0.000 2.093 446 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 446 L C 2.277 179.172 176.870 0.042 0.000 1.085 446 L CA 1.833 56.722 54.840 0.082 0.000 0.755 446 L CB -1.091 41.050 42.059 0.137 0.000 0.904 446 L HN -0.171 nan 8.230 nan 0.000 0.435 447 K N -0.777 119.650 120.400 0.045 0.000 2.063 447 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 447 K C 1.969 178.566 176.600 -0.005 0.000 1.048 447 K CA 1.440 57.740 56.287 0.022 0.000 0.928 447 K CB -0.152 32.362 32.500 0.024 0.000 0.713 447 K HN 0.380 nan 8.250 nan 0.000 0.442 448 A N 1.188 124.002 122.820 -0.010 0.000 1.933 448 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 448 A C 2.026 179.573 177.584 -0.062 0.000 1.175 448 A CA 1.346 53.364 52.037 -0.032 0.000 0.628 448 A CB -0.524 18.460 19.000 -0.026 0.000 0.814 448 A HN 0.410 nan 8.150 nan 0.000 0.444 449 L N -0.151 121.029 121.223 -0.072 0.000 2.109 449 L HA -0.032 4.308 4.340 -0.000 0.000 0.207 449 L C 2.207 178.980 176.870 -0.162 0.000 1.086 449 L CA 2.561 57.318 54.840 -0.140 0.000 0.760 449 L CB -0.524 41.445 42.059 -0.149 0.000 0.910 449 L HN 0.417 nan 8.230 nan 0.000 0.437 450 K N -0.961 119.378 120.400 -0.102 0.000 2.097 450 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 450 K C 2.020 178.578 176.600 -0.070 0.000 1.049 450 K CA 1.892 58.132 56.287 -0.078 0.000 0.933 450 K CB -0.258 32.230 32.500 -0.020 0.000 0.717 450 K HN 0.639 nan 8.250 nan 0.000 0.442 451 T N -1.668 112.849 114.554 -0.061 0.000 2.942 451 T HA -0.027 4.323 4.350 -0.000 0.000 0.265 451 T C 1.858 176.515 174.700 -0.072 0.000 1.062 451 T CA 0.473 62.541 62.100 -0.053 0.000 1.139 451 T CB -0.160 68.686 68.868 -0.038 0.000 0.883 451 T HN 0.220 nan 8.240 nan 0.000 0.468 452 R N 0.456 120.895 120.500 -0.101 0.000 2.091 452 R HA 0.048 4.388 4.340 -0.000 0.000 0.238 452 R C 2.468 178.683 176.300 -0.141 0.000 1.136 452 R CA 1.743 57.766 56.100 -0.128 0.000 0.959 452 R CB -0.615 29.581 30.300 -0.173 0.000 0.856 452 R HN 0.466 nan 8.270 nan 0.000 0.437 453 I N 0.412 120.888 120.570 -0.157 0.000 2.252 453 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 453 I C 2.642 178.720 176.117 -0.064 0.000 1.102 453 I CA 1.214 62.435 61.300 -0.132 0.000 1.385 453 I CB -0.392 37.530 38.000 -0.129 0.000 1.064 453 I HN 0.170 nan 8.210 nan 0.000 0.414 454 A N 0.510 123.300 122.820 -0.051 0.000 1.877 454 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 454 A C 2.216 179.782 177.584 -0.030 0.000 1.186 454 A CA 1.889 53.909 52.037 -0.028 0.000 0.620 454 A CB -0.599 18.388 19.000 -0.021 0.000 0.822 454 A HN 0.448 nan 8.150 nan 0.000 0.443 455 E N -0.895 119.280 120.200 -0.042 0.000 2.158 455 E HA -0.109 4.240 4.350 -0.000 0.000 0.191 455 E C 1.713 178.288 176.600 -0.042 0.000 0.982 455 E CA 1.286 57.663 56.400 -0.039 0.000 0.823 455 E CB -0.008 29.667 29.700 -0.042 0.000 0.766 455 E HN 0.767 nan 8.360 nan 0.000 0.468 456 E N -0.721 119.444 120.200 -0.057 0.000 2.453 456 E HA 0.208 4.558 4.350 -0.000 0.000 0.211 456 E C 0.370 176.941 176.600 -0.049 0.000 0.897 456 E CA 0.193 56.557 56.400 -0.059 0.000 1.063 456 E CB 1.407 31.057 29.700 -0.084 0.000 1.080 456 E HN 0.170 nan 8.360 nan 0.000 0.512 457 G N 1.443 110.216 108.800 -0.046 0.000 2.712 457 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.686 457 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.686 457 G C 0.612 175.499 174.900 -0.022 0.000 1.321 457 G CA -0.056 45.036 45.100 -0.013 0.000 0.813 457 G HN 0.190 nan 8.290 nan 0.000 0.599 458 S N 0.197 115.942 115.700 0.076 0.000 2.383 458 S HA -0.061 4.409 4.470 -0.000 0.000 0.227 458 S C 2.078 176.815 174.600 0.229 0.000 1.026 458 S CA 1.784 60.109 58.200 0.208 0.000 0.981 458 S CB -0.147 63.332 63.200 0.465 0.000 0.818 458 S HN 0.927 nan 8.310 nan 0.000 0.472 459 K N 1.651 122.151 120.400 0.167 0.000 2.032 459 K HA -0.071 4.249 4.320 -0.000 0.000 0.209 459 K C 2.342 178.967 176.600 0.041 0.000 1.048 459 K CA 1.379 57.737 56.287 0.118 0.000 0.927 459 K CB -0.670 31.864 32.500 0.057 0.000 0.712 459 K HN 0.477 nan 8.250 nan 0.000 0.441 460 A N 0.269 123.078 122.820 -0.018 0.000 2.019 460 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 460 A C 2.110 179.609 177.584 -0.142 0.000 1.164 460 A CA 1.458 53.455 52.037 -0.067 0.000 0.644 460 A CB -0.245 18.713 19.000 -0.070 0.000 0.805 460 A HN 0.191 nan 8.150 nan 0.000 0.449 461 V N -2.099 117.661 119.914 -0.257 0.000 2.500 461 V HA -0.049 4.071 4.120 -0.000 0.000 0.243 461 V C 2.001 177.775 176.094 -0.533 0.000 1.039 461 V CA 1.548 63.529 62.300 -0.532 0.000 1.053 461 V CB -0.694 30.563 31.823 -0.943 0.000 0.695 461 V HN 0.545 nan 8.190 nan 0.000 0.463 462 F N -0.346 119.611 119.950 0.013 0.000 2.622 462 F HA 0.146 4.673 4.527 -0.000 0.000 0.288 462 F C 2.518 178.340 175.800 0.038 0.000 1.120 462 F CA 0.597 58.622 58.000 0.041 0.000 1.423 462 F CB -0.684 38.395 39.000 0.131 0.000 1.127 462 F HN -0.069 nan 8.300 nan 0.000 0.588 463 S N 0.966 116.773 115.700 0.177 0.000 2.368 463 S HA -0.103 4.367 4.470 -0.000 0.000 0.225 463 S C -0.573 174.043 174.600 0.027 0.000 1.030 463 S CA 1.431 59.683 58.200 0.087 0.000 0.999 463 S CB -1.204 62.025 63.200 0.048 0.000 0.844 463 S HN 0.187 nan 8.310 nan 0.000 0.459 464 P HA -0.047 nan 4.420 nan 0.000 0.218 464 P C 1.223 178.508 177.300 -0.025 0.000 1.148 464 P CA 0.873 63.961 63.100 -0.021 0.000 0.822 464 P CB -0.117 31.560 31.700 -0.038 0.000 0.784 465 L N -1.558 119.661 121.223 -0.007 0.000 2.027 465 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 465 L C 2.432 179.252 176.870 -0.082 0.000 1.074 465 L CA 1.341 56.166 54.840 -0.025 0.000 0.745 465 L CB -0.853 41.224 42.059 0.030 0.000 0.898 465 L HN -0.080 nan 8.230 nan 0.000 0.433 466 I N -0.155 120.375 120.570 -0.066 0.000 2.142 466 I HA -0.276 3.894 4.170 -0.000 0.000 0.240 466 I C 2.505 178.533 176.117 -0.149 0.000 1.078 466 I CA 1.447 62.661 61.300 -0.142 0.000 1.343 466 I CB -0.344 37.605 38.000 -0.084 0.000 1.046 466 I HN 0.277 nan 8.210 nan 0.000 0.405 467 E N 0.826 120.976 120.200 -0.083 0.000 2.017 467 E HA -0.270 4.080 4.350 -0.000 0.000 0.193 467 E C 2.213 178.775 176.600 -0.064 0.000 0.997 467 E CA 1.279 57.640 56.400 -0.064 0.000 0.804 467 E CB -0.145 29.533 29.700 -0.036 0.000 0.757 467 E HN 0.343 nan 8.360 nan 0.000 0.448 468 K N 0.736 121.101 120.400 -0.057 0.000 2.103 468 K HA -0.086 4.234 4.320 -0.000 0.000 0.204 468 K C 1.925 178.493 176.600 -0.054 0.000 1.052 468 K CA 0.915 57.177 56.287 -0.042 0.000 0.945 468 K CB 0.149 32.629 32.500 -0.035 0.000 0.722 468 K HN 0.104 nan 8.250 nan 0.000 0.443 469 L N -0.024 121.139 121.223 -0.100 0.000 2.556 469 L HA 0.151 4.491 4.340 -0.000 0.000 0.226 469 L C 1.761 178.493 176.870 -0.230 0.000 1.089 469 L CA 0.016 54.787 54.840 -0.115 0.000 0.864 469 L CB 0.220 42.211 42.059 -0.112 0.000 1.067 469 L HN 0.108 nan 8.230 nan 0.000 0.477 470 I N -1.418 118.935 120.570 -0.362 0.000 3.632 470 I HA -0.036 4.134 4.170 -0.000 0.000 0.246 470 I C 1.949 177.771 176.117 -0.491 0.000 1.125 470 I CA 0.111 60.944 61.300 -0.779 0.000 1.519 470 I CB 0.006 37.440 38.000 -0.943 0.000 1.555 470 I HN -0.045 nan 8.210 nan 0.000 0.452 471 L N 1.342 122.415 121.223 -0.249 0.000 2.017 471 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 471 L C 1.464 178.369 176.870 0.060 0.000 1.073 471 L CA 1.457 56.269 54.840 -0.046 0.000 0.745 471 L CB -0.540 41.494 42.059 -0.042 0.000 0.894 471 L HN 0.372 nan 8.230 nan 0.000 0.432 472 N N -0.528 118.189 118.700 0.029 0.000 2.270 472 N HA -0.011 4.729 4.740 -0.000 0.000 0.198 472 N C 0.181 175.751 175.510 0.101 0.000 1.117 472 N CA 0.104 53.192 53.050 0.063 0.000 0.845 472 N CB -0.340 38.166 38.487 0.032 0.000 0.980 472 N HN 0.166 nan 8.380 nan 0.000 0.486 473 N N 0.616 119.398 118.700 0.137 0.000 2.411 473 N HA 0.113 4.853 4.740 -0.000 0.000 0.259 473 N C 0.537 176.235 175.510 0.314 0.000 1.103 473 N CA 0.206 53.383 53.050 0.210 0.000 0.954 473 N CB 0.774 39.390 38.487 0.215 0.000 1.085 473 N HN -0.175 nan 8.380 nan 0.000 0.485 474 S N 1.825 117.666 115.700 0.236 0.000 2.453 474 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 474 S C 0.511 175.259 174.600 0.247 0.000 1.005 474 S CA 0.409 58.738 58.200 0.216 0.000 0.949 474 S CB -0.379 62.920 63.200 0.165 0.000 0.774 474 S HN 0.701 nan 8.310 nan 0.000 0.510 475 H N 1.881 121.062 119.070 0.185 0.000 3.198 475 H HA 0.289 4.845 4.556 -0.000 0.000 0.255 475 H C 0.240 175.620 175.328 0.087 0.000 1.729 475 H CA 0.008 56.111 56.048 0.092 0.000 1.495 475 H CB -0.170 29.540 29.762 -0.086 0.000 1.807 475 H HN 0.051 nan 8.280 nan 0.000 0.554 476 R N 3.189 123.736 120.500 0.078 0.000 2.575 476 R HA 0.448 4.788 4.340 -0.000 0.000 0.293 476 R C -1.934 174.259 176.300 -0.178 0.000 0.983 476 R CA -0.849 55.097 56.100 -0.256 0.000 0.887 476 R CB 1.350 31.456 30.300 -0.324 0.000 1.184 476 R HN 0.255 nan 8.270 nan 0.000 0.445 477 V N 3.537 123.296 119.914 -0.258 0.000 2.407 477 V HA 0.357 4.477 4.120 -0.000 0.000 0.291 477 V C -0.369 175.595 176.094 -0.217 0.000 1.018 477 V CA -0.667 61.546 62.300 -0.145 0.000 0.842 477 V CB 1.913 33.716 31.823 -0.033 0.000 0.996 477 V HN 0.820 nan 8.190 nan 0.000 0.426 478 T N 6.545 121.002 114.554 -0.162 0.000 2.799 478 T HA 0.727 5.077 4.350 -0.000 0.000 0.286 478 T C -0.296 174.352 174.700 -0.087 0.000 0.973 478 T CA -0.101 61.916 62.100 -0.139 0.000 1.035 478 T CB 0.994 69.799 68.868 -0.105 0.000 0.932 478 T HN 0.406 nan 8.240 nan 0.000 0.469 479 I N 2.391 122.915 120.570 -0.077 0.000 2.447 479 I HA 0.394 4.564 4.170 -0.000 0.000 0.287 479 I C 0.218 176.318 176.117 -0.028 0.000 1.023 479 I CA -0.697 60.573 61.300 -0.049 0.000 1.083 479 I CB 2.058 40.024 38.000 -0.058 0.000 1.245 479 I HN 0.621 nan 8.210 nan 0.000 0.434 483 P HA 0.009 nan 4.420 nan 0.000 0.271 483 P C -0.903 176.069 177.300 -0.546 0.000 1.216 483 P CA 0.312 62.856 63.100 -0.927 0.000 0.771 483 P CB 0.850 32.238 31.700 -0.520 0.000 0.864 484 D N 4.138 124.221 120.400 -0.529 0.000 2.473 484 D HA 0.171 4.811 4.640 -0.000 0.000 0.253 484 D C -1.736 174.436 176.300 -0.214 0.000 1.233 484 D CA -2.063 51.770 54.000 -0.279 0.000 0.908 484 D CB 1.917 42.594 40.800 -0.205 0.000 1.170 484 D HN 0.125 nan 8.370 nan 0.000 0.558 485 P HA -0.030 nan 4.420 nan 0.000 0.229 485 P C 0.707 177.962 177.300 -0.075 0.000 1.160 485 P CA 0.634 63.671 63.100 -0.106 0.000 0.777 485 P CB 0.870 32.521 31.700 -0.082 0.000 0.814 486 E N 0.113 120.269 120.200 -0.074 0.000 2.276 486 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 486 E C 1.914 178.487 176.600 -0.046 0.000 0.983 486 E CA 0.414 56.784 56.400 -0.051 0.000 0.861 486 E CB -0.322 29.352 29.700 -0.044 0.000 0.817 486 E HN 0.278 nan 8.360 nan 0.000 0.485 487 K N 1.512 121.877 120.400 -0.059 0.000 2.074 487 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 487 K C 1.970 178.554 176.600 -0.026 0.000 1.048 487 K CA 1.588 57.849 56.287 -0.043 0.000 0.926 487 K CB -0.102 32.366 32.500 -0.053 0.000 0.713 487 K HN 0.067 nan 8.250 nan 0.000 0.444 488 A N 0.218 123.022 122.820 -0.027 0.000 1.933 488 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 488 A C 2.218 179.795 177.584 -0.012 0.000 1.175 488 A CA 2.183 54.212 52.037 -0.014 0.000 0.628 488 A CB -1.079 17.915 19.000 -0.011 0.000 0.814 488 A HN 0.675 nan 8.150 nan 0.000 0.444 489 T N -3.671 110.874 114.554 -0.016 0.000 2.809 489 T HA -0.129 4.221 4.350 -0.000 0.000 0.260 489 T C 1.954 176.648 174.700 -0.010 0.000 1.039 489 T CA 1.218 63.311 62.100 -0.012 0.000 1.141 489 T CB -0.407 68.452 68.868 -0.014 0.000 0.869 489 T HN 0.293 nan 8.240 nan 0.000 0.437 490 Q N 1.168 120.960 119.800 -0.014 0.000 2.248 490 Q HA -0.153 4.187 4.340 -0.000 0.000 0.208 490 Q C 2.019 178.016 176.000 -0.006 0.000 0.984 490 Q CA 1.741 57.537 55.803 -0.011 0.000 0.875 490 Q CB -0.185 28.544 28.738 -0.015 0.000 0.910 490 Q HN 0.750 nan 8.270 nan 0.000 0.433 491 E N -0.639 119.558 120.200 -0.006 0.000 2.190 491 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 491 E C 1.720 178.323 176.600 0.006 0.000 0.978 491 E CA 0.432 56.830 56.400 -0.002 0.000 0.839 491 E CB 0.178 29.874 29.700 -0.007 0.000 0.787 491 E HN 0.216 nan 8.360 nan 0.000 0.473 492 E N 0.281 120.484 120.200 0.005 0.000 2.072 492 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 492 E C 1.893 178.502 176.600 0.015 0.000 0.985 492 E CA 0.866 57.275 56.400 0.014 0.000 0.801 492 E CB 0.025 29.730 29.700 0.007 0.000 0.750 492 E HN -0.007 nan 8.360 nan 0.000 0.452 493 V N 1.077 120.995 119.914 0.006 0.000 2.233 493 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 493 V C 2.416 178.515 176.094 0.008 0.000 1.050 493 V CA 2.347 64.649 62.300 0.004 0.000 1.010 493 V CB -0.610 31.212 31.823 -0.002 0.000 0.637 493 V HN 0.411 nan 8.190 nan 0.000 0.444 494 E N -0.439 119.767 120.200 0.010 0.000 2.171 494 E HA -0.310 4.040 4.350 -0.000 0.000 0.197 494 E C 2.265 178.885 176.600 0.033 0.000 0.997 494 E CA 1.797 58.206 56.400 0.015 0.000 0.810 494 E CB -0.029 29.677 29.700 0.010 0.000 0.738 494 E HN 0.734 nan 8.360 nan 0.000 0.467 495 E N 0.344 120.574 120.200 0.050 0.000 2.072 495 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 495 E C 1.974 178.608 176.600 0.056 0.000 0.982 495 E CA 0.781 57.241 56.400 0.099 0.000 0.803 495 E CB 0.161 29.948 29.700 0.145 0.000 0.755 495 E HN 0.115 nan 8.360 nan 0.000 0.453 496 K N 0.467 120.881 120.400 0.022 0.000 2.044 496 K HA -0.171 4.149 4.320 -0.000 0.000 0.210 496 K C 1.994 178.582 176.600 -0.020 0.000 1.049 496 K CA 1.728 58.009 56.287 -0.011 0.000 0.927 496 K CB -0.286 32.208 32.500 -0.010 0.000 0.713 496 K HN 0.247 nan 8.250 nan 0.000 0.443 497 N N 0.510 119.206 118.700 -0.006 0.000 2.244 497 N HA -0.122 4.618 4.740 -0.000 0.000 0.183 497 N C 1.724 177.231 175.510 -0.006 0.000 1.016 497 N CA 0.723 53.768 53.050 -0.008 0.000 0.866 497 N CB -0.012 38.474 38.487 -0.002 0.000 0.980 497 N HN 0.078 nan 8.380 nan 0.000 0.430 498 I N 1.440 122.018 120.570 0.013 0.000 2.252 498 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 498 I C 2.218 178.330 176.117 -0.008 0.000 1.102 498 I CA 1.021 62.340 61.300 0.031 0.000 1.385 498 I CB -1.187 36.869 38.000 0.094 0.000 1.064 498 I HN 0.161 nan 8.210 nan 0.000 0.414 499 L N 0.229 121.414 121.223 -0.065 0.000 2.056 499 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 499 L C 2.534 179.329 176.870 -0.125 0.000 1.078 499 L CA 1.103 55.852 54.840 -0.152 0.000 0.749 499 L CB -0.502 41.424 42.059 -0.221 0.000 0.901 499 L HN 0.241 nan 8.230 nan 0.000 0.433 500 E N 0.304 120.455 120.200 -0.083 0.000 2.070 500 E HA -0.267 4.083 4.350 -0.000 0.000 0.197 500 E C 2.188 178.749 176.600 -0.066 0.000 1.004 500 E CA 1.357 57.716 56.400 -0.069 0.000 0.805 500 E CB -0.027 29.645 29.700 -0.046 0.000 0.744 500 E HN 0.393 nan 8.360 nan 0.000 0.451 501 K N 0.364 120.735 120.400 -0.048 0.000 2.103 501 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 501 K C 2.208 178.773 176.600 -0.058 0.000 1.048 501 K CA 1.263 57.527 56.287 -0.038 0.000 0.930 501 K CB -0.148 32.343 32.500 -0.014 0.000 0.716 501 K HN 0.049 nan 8.250 nan 0.000 0.444 502 V N 1.666 121.526 119.914 -0.091 0.000 2.358 502 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 502 V C 2.359 178.346 176.094 -0.178 0.000 1.047 502 V CA 1.875 64.081 62.300 -0.157 0.000 1.035 502 V CB -0.433 31.210 31.823 -0.299 0.000 0.658 502 V HN 0.314 nan 8.190 nan 0.000 0.452 503 K N 1.807 122.107 120.400 -0.167 0.000 1.965 503 K HA -0.081 4.239 4.320 -0.000 0.000 0.214 503 K C 2.079 178.622 176.600 -0.096 0.000 1.046 503 K CA 2.005 58.208 56.287 -0.141 0.000 0.944 503 K CB -0.944 31.482 32.500 -0.123 0.000 0.726 503 K HN 0.269 nan 8.250 nan 0.000 0.441 504 A N 0.529 123.304 122.820 -0.075 0.000 2.139 504 A HA 0.074 4.394 4.320 -0.000 0.000 0.221 504 A C 1.183 178.738 177.584 -0.048 0.000 1.159 504 A CA 1.490 53.495 52.037 -0.054 0.000 0.662 504 A CB -0.978 17.996 19.000 -0.043 0.000 0.796 504 A HN 0.561 nan 8.150 nan 0.000 0.463 508 E N 0.467 120.649 120.200 -0.029 0.000 2.153 508 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 508 E C 1.654 178.238 176.600 -0.027 0.000 0.988 508 E CA 1.417 57.800 56.400 -0.029 0.000 0.811 508 E CB -0.003 29.682 29.700 -0.024 0.000 0.746 508 E HN 0.826 nan 8.360 nan 0.000 0.466 509 E N 0.576 120.761 120.200 -0.024 0.000 2.150 509 E HA -0.168 4.181 4.350 -0.000 0.000 0.193 509 E C 1.133 177.718 176.600 -0.025 0.000 0.985 509 E CA 0.874 57.261 56.400 -0.021 0.000 0.814 509 E CB 0.222 29.912 29.700 -0.017 0.000 0.752 509 E HN 0.121 nan 8.360 nan 0.000 0.466 510 D N 0.574 120.957 120.400 -0.029 0.000 2.144 510 D HA -0.127 4.513 4.640 -0.000 0.000 0.200 510 D C 2.130 178.404 176.300 -0.043 0.000 0.978 510 D CA 0.634 54.614 54.000 -0.034 0.000 0.833 510 D CB -0.181 40.596 40.800 -0.039 0.000 0.961 510 D HN 0.250 nan 8.370 nan 0.000 0.470 511 L N 0.723 121.917 121.223 -0.048 0.000 2.046 511 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 511 L C 2.480 179.326 176.870 -0.041 0.000 1.077 511 L CA 1.300 56.108 54.840 -0.054 0.000 0.747 511 L CB -0.336 41.691 42.059 -0.054 0.000 0.896 511 L HN -0.018 nan 8.230 nan 0.000 0.432 512 A N -0.558 122.243 122.820 -0.033 0.000 1.930 512 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 512 A C 2.305 179.875 177.584 -0.024 0.000 1.176 512 A CA 1.277 53.299 52.037 -0.026 0.000 0.632 512 A CB -0.460 18.526 19.000 -0.022 0.000 0.819 512 A HN 0.472 nan 8.150 nan 0.000 0.445 513 E N 0.163 120.348 120.200 -0.024 0.000 2.070 513 E HA -0.254 4.096 4.350 -0.000 0.000 0.197 513 E C 1.899 178.486 176.600 -0.023 0.000 1.004 513 E CA 1.862 58.249 56.400 -0.022 0.000 0.805 513 E CB -0.385 29.303 29.700 -0.021 0.000 0.744 513 E HN 0.392 nan 8.360 nan 0.000 0.451 514 L N 1.372 122.579 121.223 -0.026 0.000 1.994 514 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 514 L C 2.613 179.473 176.870 -0.016 0.000 1.071 514 L CA 2.462 57.290 54.840 -0.020 0.000 0.745 514 L CB -1.286 40.751 42.059 -0.038 0.000 0.892 514 L HN 0.222 nan 8.230 nan 0.000 0.431 515 A N -0.399 122.407 122.820 -0.022 0.000 1.884 515 A HA -0.302 4.018 4.320 -0.000 0.000 0.219 515 A C 2.492 180.065 177.584 -0.018 0.000 1.197 515 A CA 2.290 54.315 52.037 -0.020 0.000 0.637 515 A CB -0.684 18.302 19.000 -0.023 0.000 0.827 515 A HN 0.515 nan 8.150 nan 0.000 0.450 516 R N -0.974 119.514 120.500 -0.019 0.000 2.081 516 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 516 R C 2.525 178.810 176.300 -0.024 0.000 1.131 516 R CA 1.148 57.237 56.100 -0.019 0.000 0.960 516 R CB -0.463 29.826 30.300 -0.018 0.000 0.856 516 R HN 0.548 nan 8.270 nan 0.000 0.436 517 A N 0.296 123.099 122.820 -0.028 0.000 1.908 517 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 517 A C 2.147 179.698 177.584 -0.054 0.000 1.181 517 A CA 2.077 54.089 52.037 -0.042 0.000 0.627 517 A CB -0.830 18.145 19.000 -0.042 0.000 0.818 517 A HN 0.299 nan 8.150 nan 0.000 0.445 518 T N -0.241 114.291 114.554 -0.036 0.000 2.674 518 T HA -0.146 4.204 4.350 -0.000 0.000 0.265 518 T C 1.849 176.528 174.700 -0.034 0.000 1.039 518 T CA 1.877 63.958 62.100 -0.032 0.000 1.150 518 T CB -0.280 68.589 68.868 0.001 0.000 0.864 518 T HN 0.616 nan 8.240 nan 0.000 0.427 519 E N 0.982 121.169 120.200 -0.023 0.000 2.077 519 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 519 E C 2.262 178.853 176.600 -0.015 0.000 0.989 519 E CA 1.393 57.783 56.400 -0.016 0.000 0.800 519 E CB -0.141 29.552 29.700 -0.011 0.000 0.746 519 E HN 0.784 nan 8.360 nan 0.000 0.452 520 E N 0.375 120.563 120.200 -0.020 0.000 2.150 520 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 520 E C 1.983 178.578 176.600 -0.007 0.000 0.985 520 E CA 0.761 57.152 56.400 -0.015 0.000 0.814 520 E CB -0.267 29.420 29.700 -0.020 0.000 0.752 520 E HN 0.150 nan 8.360 nan 0.000 0.466 521 L N 1.552 122.760 121.223 -0.024 0.000 2.017 521 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 521 L C 2.029 178.903 176.870 0.007 0.000 1.073 521 L CA 1.928 56.759 54.840 -0.015 0.000 0.745 521 L CB -0.567 41.390 42.059 -0.170 0.000 0.894 521 L HN 0.011 nan 8.230 nan 0.000 0.432 522 K N -0.819 119.571 120.400 -0.018 0.000 2.009 522 K HA -0.235 4.085 4.320 -0.000 0.000 0.210 522 K C 2.053 178.662 176.600 0.016 0.000 1.049 522 K CA 1.799 58.082 56.287 -0.006 0.000 0.929 522 K CB -0.685 31.808 32.500 -0.013 0.000 0.714 522 K HN 0.255 nan 8.250 nan 0.000 0.440 523 L N 2.113 123.345 121.223 0.016 0.000 1.978 523 L HA -0.285 4.055 4.340 -0.000 0.000 0.218 523 L C 2.059 178.948 176.870 0.031 0.000 1.075 523 L CA 1.971 56.826 54.840 0.025 0.000 0.767 523 L CB -0.466 41.602 42.059 0.015 0.000 0.890 523 L HN -0.005 nan 8.230 nan 0.000 0.434 524 K N -0.477 119.936 120.400 0.021 0.000 2.052 524 K HA -0.288 4.032 4.320 -0.000 0.000 0.215 524 K C 2.125 178.752 176.600 0.045 0.000 1.053 524 K CA 2.595 58.885 56.287 0.004 0.000 0.934 524 K CB -0.418 32.062 32.500 -0.034 0.000 0.717 524 K HN 0.778 nan 8.250 nan 0.000 0.450 525 Q N -0.226 119.626 119.800 0.086 0.000 2.187 525 Q HA -0.080 4.260 4.340 -0.000 0.000 0.199 525 Q C 0.954 177.001 176.000 0.079 0.000 0.957 525 Q CA 1.233 57.096 55.803 0.100 0.000 0.857 525 Q CB 0.012 28.808 28.738 0.097 0.000 0.929 525 Q HN 0.355 nan 8.270 nan 0.000 0.453 526 E N 1.070 121.306 120.200 0.059 0.000 2.465 526 E HA 0.092 4.442 4.350 -0.000 0.000 0.191 526 E C -0.472 176.194 176.600 0.110 0.000 1.053 526 E CA 0.035 56.475 56.400 0.066 0.000 0.869 526 E CB 0.677 30.401 29.700 0.039 0.000 0.977 526 E HN 0.157 nan 8.360 nan 0.000 0.483 527 T N 3.016 117.630 114.554 0.100 0.000 2.788 527 T HA 0.267 4.617 4.350 -0.000 0.000 0.296 527 T C -2.466 172.305 174.700 0.117 0.000 1.009 527 T CA -1.690 60.475 62.100 0.108 0.000 0.949 527 T CB 1.413 70.325 68.868 0.073 0.000 0.946 527 T HN -0.096 nan 8.240 nan 0.000 0.453 528 P HA 0.086 nan 4.420 nan 0.000 0.268 528 P C -0.065 177.303 177.300 0.114 0.000 1.208 528 P CA -0.369 62.825 63.100 0.155 0.000 0.777 528 P CB 0.486 32.308 31.700 0.204 0.000 0.875 529 D N 2.508 122.970 120.400 0.104 0.000 2.455 529 D HA 0.054 4.694 4.640 -0.000 0.000 0.241 529 D C -1.891 174.456 176.300 0.078 0.000 1.138 529 D CA -0.632 53.417 54.000 0.081 0.000 0.877 529 D CB -0.028 40.820 40.800 0.080 0.000 1.187 529 D HN 0.243 nan 8.370 nan 0.000 0.451 530 P HA 0.143 nan 4.420 nan 0.000 0.276 530 P C -2.278 175.053 177.300 0.052 0.000 1.253 530 P CA -1.371 61.761 63.100 0.052 0.000 0.766 530 P CB 0.443 32.166 31.700 0.039 0.000 0.845 531 P HA -0.169 nan 4.420 nan 0.000 0.235 531 P C 0.877 178.203 177.300 0.043 0.000 1.166 531 P CA 1.198 64.328 63.100 0.049 0.000 0.760 531 P CB -0.012 31.712 31.700 0.040 0.000 0.815 532 E N -0.539 119.684 120.200 0.038 0.000 2.076 532 E HA -0.061 4.289 4.350 -0.000 0.000 0.190 532 E C 2.138 178.764 176.600 0.043 0.000 0.979 532 E CA 1.217 57.638 56.400 0.034 0.000 0.807 532 E CB -1.055 28.661 29.700 0.026 0.000 0.761 532 E HN 0.147 nan 8.360 nan 0.000 0.454 533 A N 1.101 123.950 122.820 0.048 0.000 1.841 533 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 533 A C 2.198 179.828 177.584 0.077 0.000 1.199 533 A CA 1.435 53.509 52.037 0.061 0.000 0.621 533 A CB -1.031 18.006 19.000 0.061 0.000 0.835 533 A HN 0.218 nan 8.150 nan 0.000 0.445 534 L N 0.054 121.322 121.223 0.075 0.000 2.189 534 L HA -0.259 4.081 4.340 -0.000 0.000 0.214 534 L C 2.711 179.633 176.870 0.086 0.000 1.097 534 L CA 1.845 56.734 54.840 0.082 0.000 0.764 534 L CB -0.649 41.456 42.059 0.077 0.000 0.900 534 L HN 0.609 nan 8.230 nan 0.000 0.436 535 R N 0.194 120.740 120.500 0.077 0.000 2.276 535 R HA -0.087 4.253 4.340 -0.000 0.000 0.203 535 R C 2.394 178.754 176.300 0.099 0.000 1.017 535 R CA 1.126 57.272 56.100 0.077 0.000 1.010 535 R CB -1.156 29.177 30.300 0.057 0.000 0.900 535 R HN 0.538 nan 8.270 nan 0.000 0.469 536 C N -0.058 119.312 119.300 0.118 0.000 2.422 536 C HA 0.130 4.590 4.460 -0.000 0.000 0.279 536 C C 1.227 176.399 174.990 0.303 0.000 1.305 536 C CA -0.709 58.406 59.018 0.161 0.000 1.757 536 C CB -0.731 27.092 27.740 0.137 0.000 1.962 536 C HN 0.176 nan 8.230 nan 0.000 0.499 537 V N 4.655 124.722 119.914 0.254 0.000 2.427 537 V HA 0.297 4.417 4.120 -0.000 0.000 0.268 537 V C -1.596 174.577 176.094 0.133 0.000 1.046 537 V CA -0.858 61.552 62.300 0.183 0.000 0.970 537 V CB 0.308 32.165 31.823 0.057 0.000 1.001 537 V HN 0.443 nan 8.190 nan 0.000 0.476 538 P HA 0.285 nan 4.420 nan 0.000 0.276 538 P C -0.516 176.830 177.300 0.076 0.000 1.244 538 P CA -0.233 62.935 63.100 0.112 0.000 0.801 538 P CB 1.434 33.213 31.700 0.132 0.000 1.006 539 S N 0.453 116.195 115.700 0.070 0.000 2.599 539 S HA 0.586 5.056 4.470 -0.000 0.000 0.294 539 S C -0.247 174.389 174.600 0.060 0.000 1.094 539 S CA -0.838 57.398 58.200 0.059 0.000 0.931 539 S CB 0.385 63.618 63.200 0.055 0.000 1.093 539 S HN 0.255 nan 8.310 nan 0.000 0.488 540 L N 3.361 124.618 121.223 0.055 0.000 2.479 540 L HA 0.481 4.821 4.340 -0.000 0.000 0.248 540 L C 0.802 177.701 176.870 0.047 0.000 1.205 540 L CA -0.748 54.123 54.840 0.053 0.000 0.817 540 L CB 0.363 42.452 42.059 0.049 0.000 1.162 540 L HN 0.792 nan 8.230 nan 0.000 0.486 541 N N -0.130 118.595 118.700 0.043 0.000 2.653 541 N HA 0.265 5.005 4.740 -0.000 0.000 0.294 541 N C 0.358 175.889 175.510 0.035 0.000 1.305 541 N CA -0.767 52.305 53.050 0.038 0.000 0.827 541 N CB 1.258 39.766 38.487 0.035 0.000 1.415 541 N HN 0.461 nan 8.380 nan 0.000 0.546 542 L N -0.188 121.055 121.223 0.033 0.000 2.353 542 L HA -0.006 4.334 4.340 -0.000 0.000 0.220 542 L C 2.305 179.192 176.870 0.029 0.000 1.133 542 L CA 1.506 56.365 54.840 0.032 0.000 0.798 542 L CB -0.640 41.437 42.059 0.031 0.000 0.922 542 L HN 0.828 nan 8.230 nan 0.000 0.445 543 G N -0.898 107.919 108.800 0.028 0.000 2.471 543 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.219 543 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.219 543 G C 1.107 176.023 174.900 0.027 0.000 1.125 543 G CA 0.377 45.492 45.100 0.026 0.000 0.775 543 G HN 0.310 nan 8.290 nan 0.000 0.548 544 D N 0.192 120.610 120.400 0.031 0.000 2.363 544 D HA 0.068 4.708 4.640 -0.000 0.000 0.226 544 D C 0.510 176.829 176.300 0.030 0.000 1.020 544 D CA 0.350 54.369 54.000 0.032 0.000 0.892 544 D CB 0.502 41.325 40.800 0.037 0.000 0.900 544 D HN 0.287 nan 8.370 nan 0.000 0.531 545 I N 1.704 122.292 120.570 0.029 0.000 2.362 545 I HA 0.205 4.375 4.170 -0.000 0.000 0.289 545 I C -2.254 173.880 176.117 0.028 0.000 0.994 545 I CA -2.164 59.154 61.300 0.029 0.000 1.158 545 I CB 1.955 39.973 38.000 0.031 0.000 1.315 545 I HN -0.368 nan 8.210 nan 0.000 0.451 546 P HA 0.085 nan 4.420 nan 0.000 0.268 546 P C -0.014 177.304 177.300 0.030 0.000 1.204 546 P CA -0.341 62.777 63.100 0.029 0.000 0.768 546 P CB 0.465 32.184 31.700 0.033 0.000 0.842 547 K N 0.898 121.315 120.400 0.028 0.000 2.426 547 K HA 0.077 4.397 4.320 -0.000 0.000 0.193 547 K C -0.233 176.386 176.600 0.032 0.000 1.028 547 K CA 0.452 56.757 56.287 0.029 0.000 1.047 547 K CB 0.165 32.680 32.500 0.026 0.000 0.821 547 K HN 0.459 nan 8.250 nan 0.000 0.513 548 E N 1.907 122.128 120.200 0.035 0.000 2.195 548 E HA 0.322 4.672 4.350 -0.000 0.000 0.271 548 E C -2.696 173.934 176.600 0.050 0.000 0.923 548 E CA -2.614 53.812 56.400 0.042 0.000 0.790 548 E CB 1.014 30.739 29.700 0.042 0.000 1.155 548 E HN -0.115 nan 8.360 nan 0.000 0.402 549 P HA 0.035 nan 4.420 nan 0.000 0.272 549 P C -0.548 176.794 177.300 0.070 0.000 1.240 549 P CA -0.416 62.714 63.100 0.050 0.000 0.791 549 P CB 0.339 32.065 31.700 0.044 0.000 0.978 550 T N 1.216 115.803 114.554 0.055 0.000 2.905 550 T HA -0.102 4.248 4.350 -0.000 0.000 0.299 550 T C -0.097 174.665 174.700 0.104 0.000 1.024 550 T CA 0.590 62.732 62.100 0.070 0.000 1.151 550 T CB -0.499 68.386 68.868 0.028 0.000 0.987 550 T HN 0.208 nan 8.240 nan 0.000 0.535 551 Y N 4.847 125.155 120.300 0.013 0.000 2.531 551 Y HA 0.397 4.947 4.550 -0.000 0.000 0.347 551 Y C -0.597 175.315 175.900 0.020 0.000 1.024 551 Y CA -0.733 57.379 58.100 0.019 0.000 1.306 551 Y CB 0.180 38.654 38.460 0.023 0.000 1.149 551 Y HN 0.345 nan 8.280 nan 0.000 0.527 552 V N 9.742 129.386 119.914 -0.450 0.000 2.350 552 V HA 0.333 4.453 4.120 -0.000 0.000 0.285 552 V C -2.195 173.570 176.094 -0.549 0.000 1.014 552 V CA -2.114 59.923 62.300 -0.440 0.000 0.831 552 V CB 1.302 33.005 31.823 -0.199 0.000 1.000 552 V HN 0.712 nan 8.190 nan 0.000 0.433 553 P HA 0.321 nan 4.420 nan 0.000 0.267 553 P C -0.375 176.887 177.300 -0.063 0.000 1.205 553 P CA 0.321 63.217 63.100 -0.339 0.000 0.765 553 P CB 0.441 32.051 31.700 -0.150 0.000 0.828 554 T N 2.405 116.928 114.554 -0.051 0.000 2.993 554 T HA 0.454 4.804 4.350 -0.000 0.000 0.312 554 T C -0.900 173.743 174.700 -0.095 0.000 1.115 554 T CA -0.624 61.435 62.100 -0.068 0.000 1.027 554 T CB 1.645 70.537 68.868 0.040 0.000 1.116 554 T HN 0.280 nan 8.240 nan 0.000 0.464 555 E N 1.167 121.263 120.200 -0.175 0.000 2.308 555 E HA 0.601 4.951 4.350 -0.000 0.000 0.275 555 E C -1.203 175.309 176.600 -0.148 0.000 0.890 555 E CA -0.771 55.560 56.400 -0.114 0.000 0.754 555 E CB 2.241 31.891 29.700 -0.084 0.000 1.207 555 E HN 0.336 nan 8.360 nan 0.000 0.426 556 V N 1.676 121.532 119.914 -0.097 0.000 2.547 556 V HA 0.901 5.021 4.120 -0.000 0.000 0.299 556 V C 0.492 176.546 176.094 -0.067 0.000 1.040 556 V CA -0.400 61.836 62.300 -0.106 0.000 0.913 556 V CB 1.444 33.228 31.823 -0.065 0.000 0.992 556 V HN 0.791 nan 8.190 nan 0.000 0.449 557 G N 1.966 110.724 108.800 -0.071 0.000 2.749 557 G HA2 0.559 4.519 3.960 -0.000 0.000 0.300 557 G HA3 0.559 4.519 3.960 -0.000 0.000 0.300 557 G C -2.135 172.743 174.900 -0.037 0.000 1.352 557 G CA -0.325 44.748 45.100 -0.045 0.000 0.789 557 G HN 0.579 nan 8.290 nan 0.000 0.509 558 D N -0.509 119.876 120.400 -0.025 0.000 2.738 558 D HA 0.569 5.209 4.640 -0.000 0.000 0.237 558 D C -1.112 175.180 176.300 -0.015 0.000 1.123 558 D CA -0.304 53.687 54.000 -0.015 0.000 0.856 558 D CB 2.371 43.167 40.800 -0.005 0.000 1.552 558 D HN 0.250 nan 8.370 nan 0.000 0.480 559 I N 2.590 123.154 120.570 -0.009 0.000 2.476 559 I HA 0.223 4.393 4.170 -0.000 0.000 0.281 559 I C 0.278 176.397 176.117 0.004 0.000 1.040 559 I CA -0.493 60.803 61.300 -0.006 0.000 1.094 559 I CB 1.130 39.124 38.000 -0.008 0.000 1.219 559 I HN 0.461 nan 8.210 nan 0.000 0.450 560 N N 4.712 123.414 118.700 0.004 0.000 2.738 560 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 560 N C 0.936 176.454 175.510 0.013 0.000 1.047 560 N CA 0.618 53.672 53.050 0.007 0.000 0.707 560 N CB -0.377 38.114 38.487 0.008 0.000 0.937 560 N HN 1.190 nan 8.380 nan 0.000 0.545 561 G N -1.399 107.409 108.800 0.012 0.000 2.179 561 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.257 561 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.257 561 G C 0.002 174.916 174.900 0.023 0.000 1.010 561 G CA 0.470 45.581 45.100 0.017 0.000 0.736 561 G HN 0.408 nan 8.290 nan 0.000 0.513 562 V N 0.389 120.315 119.914 0.021 0.000 2.384 562 V HA 0.479 4.599 4.120 -0.000 0.000 0.287 562 V C 0.580 176.678 176.094 0.006 0.000 1.020 562 V CA -0.830 61.483 62.300 0.023 0.000 0.850 562 V CB 1.726 33.571 31.823 0.036 0.000 0.987 562 V HN 0.455 nan 8.190 nan 0.000 0.436 563 K N 4.036 124.437 120.400 0.001 0.000 2.298 563 K HA 0.546 4.866 4.320 -0.000 0.000 0.280 563 K C -1.078 175.490 176.600 -0.053 0.000 1.032 563 K CA -0.169 56.106 56.287 -0.021 0.000 0.958 563 K CB 1.069 33.569 32.500 0.000 0.000 0.978 563 K HN 0.489 nan 8.250 nan 0.000 0.472 564 V N 5.467 125.334 119.914 -0.079 0.000 2.638 564 V HA 0.399 4.519 4.120 -0.000 0.000 0.306 564 V C -1.041 174.961 176.094 -0.155 0.000 1.052 564 V CA -1.038 61.205 62.300 -0.095 0.000 0.885 564 V CB 1.513 33.295 31.823 -0.070 0.000 0.999 564 V HN 0.619 nan 8.190 nan 0.000 0.424 565 L N 5.107 126.219 121.223 -0.186 0.000 2.346 565 L HA 0.744 5.084 4.340 -0.000 0.000 0.276 565 L C 0.026 176.692 176.870 -0.339 0.000 1.006 565 L CA -0.279 54.389 54.840 -0.286 0.000 0.817 565 L CB 1.785 43.667 42.059 -0.295 0.000 1.272 565 L HN 0.824 nan 8.230 nan 0.000 0.421 566 R N 1.735 121.968 120.500 -0.445 0.000 2.670 566 R HA 0.645 4.985 4.340 -0.000 0.000 0.289 566 R C -1.394 174.544 176.300 -0.603 0.000 0.965 566 R CA -0.684 55.189 56.100 -0.379 0.000 0.899 566 R CB 1.546 31.747 30.300 -0.165 0.000 1.173 566 R HN 0.569 nan 8.270 nan 0.000 0.456 567 H N 2.151 121.211 119.070 -0.017 0.000 2.887 567 H HA 0.133 4.689 4.556 -0.000 0.000 0.300 567 H C -1.144 174.183 175.328 -0.001 0.000 1.038 567 H CA -0.813 55.218 56.048 -0.029 0.000 1.352 567 H CB 1.669 31.406 29.762 -0.041 0.000 1.473 567 H HN 0.651 nan 8.280 nan 0.000 0.503 568 D N 4.861 125.300 120.400 0.066 0.000 2.402 568 D HA 0.239 4.879 4.640 -0.000 0.000 0.235 568 D C -0.477 175.882 176.300 0.099 0.000 1.226 568 D CA 0.002 54.047 54.000 0.076 0.000 0.918 568 D CB -0.007 40.830 40.800 0.061 0.000 1.043 568 D HN 0.439 nan 8.370 nan 0.000 0.506 569 L N 3.128 124.421 121.223 0.117 0.000 2.434 569 L HA 0.384 4.724 4.340 -0.000 0.000 0.260 569 L C -0.199 176.776 176.870 0.175 0.000 0.983 569 L CA -1.387 53.534 54.840 0.136 0.000 0.820 569 L CB 2.237 44.352 42.059 0.094 0.000 1.361 569 L HN 0.204 nan 8.230 nan 0.000 0.410 570 F N 1.435 121.427 119.950 0.070 0.000 2.571 570 F HA 0.126 4.653 4.527 -0.000 0.000 0.384 570 F C 1.002 176.856 175.800 0.090 0.000 1.058 570 F CA 0.495 58.538 58.000 0.072 0.000 1.200 570 F CB 0.799 39.837 39.000 0.064 0.000 1.077 570 F HN 0.573 nan 8.300 nan 0.000 0.558 571 T N 1.000 115.219 114.554 -0.557 0.000 3.231 571 T HA 0.148 4.498 4.350 -0.000 0.000 0.292 571 T C 0.348 174.684 174.700 -0.607 0.000 1.001 571 T CA -0.096 61.778 62.100 -0.376 0.000 0.920 571 T CB -0.514 68.337 68.868 -0.030 0.000 1.140 571 T HN 0.725 nan 8.240 nan 0.000 0.525 572 N N 3.168 121.085 118.700 -1.304 0.000 2.738 572 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 572 N C -0.453 174.857 175.510 -0.333 0.000 1.047 572 N CA 1.188 53.787 53.050 -0.752 0.000 0.707 572 N CB -1.974 36.275 38.487 -0.396 0.000 0.937 572 N HN 0.716 nan 8.380 nan 0.000 0.545 573 D N -2.139 118.101 120.400 -0.267 0.000 2.945 573 D HA -0.234 4.406 4.640 -0.000 0.000 0.225 573 D C -0.179 176.048 176.300 -0.122 0.000 1.158 573 D CA 1.288 55.217 54.000 -0.120 0.000 0.805 573 D CB -1.385 39.387 40.800 -0.046 0.000 1.098 573 D HN 0.560 nan 8.370 nan 0.000 0.426 574 I N 1.114 121.570 120.570 -0.190 0.000 2.412 574 I HA 0.331 4.501 4.170 -0.000 0.000 0.296 574 I C 0.508 176.474 176.117 -0.251 0.000 0.987 574 I CA -0.821 60.339 61.300 -0.233 0.000 1.180 574 I CB 2.328 40.096 38.000 -0.387 0.000 1.340 574 I HN -0.028 nan 8.210 nan 0.000 0.455 575 I N 6.972 127.410 120.570 -0.220 0.000 2.336 575 I HA 0.334 4.504 4.170 -0.000 0.000 0.292 575 I C -1.351 174.608 176.117 -0.264 0.000 0.991 575 I CA -0.362 60.854 61.300 -0.139 0.000 1.227 575 I CB 0.860 38.857 38.000 -0.004 0.000 1.366 575 I HN 0.460 nan 8.210 nan 0.000 0.466 576 Y N 5.262 125.589 120.300 0.044 0.000 2.330 576 Y HA 0.419 4.969 4.550 -0.000 0.000 0.336 576 Y C 0.587 176.509 175.900 0.036 0.000 1.036 576 Y CA -0.398 57.719 58.100 0.029 0.000 1.125 576 Y CB 1.741 40.219 38.460 0.030 0.000 1.194 576 Y HN 0.475 nan 8.280 nan 0.000 0.469 577 T N 2.834 117.464 114.554 0.128 0.000 2.893 577 T HA 0.567 4.916 4.350 -0.000 0.000 0.293 577 T C -1.364 173.355 174.700 0.032 0.000 1.027 577 T CA -0.740 61.405 62.100 0.076 0.000 0.988 577 T CB 0.878 69.757 68.868 0.019 0.000 1.043 577 T HN 0.576 nan 8.240 nan 0.000 0.461 578 E N 1.844 122.074 120.200 0.051 0.000 2.199 578 E HA 0.558 4.908 4.350 -0.000 0.000 0.265 578 E C -1.065 175.500 176.600 -0.058 0.000 0.882 578 E CA -0.553 55.857 56.400 0.017 0.000 0.759 578 E CB 2.013 31.777 29.700 0.107 0.000 1.148 578 E HN 0.376 nan 8.360 nan 0.000 0.412 579 V N 3.399 123.229 119.914 -0.141 0.000 2.370 579 V HA 0.323 4.443 4.120 -0.000 0.000 0.279 579 V C -0.460 175.391 176.094 -0.405 0.000 1.029 579 V CA -0.856 61.282 62.300 -0.270 0.000 0.870 579 V CB 1.461 33.115 31.823 -0.281 0.000 0.984 579 V HN 0.467 nan 8.190 nan 0.000 0.451 580 V N 6.200 125.868 119.914 -0.410 0.000 2.294 580 V HA 0.423 4.543 4.120 -0.000 0.000 0.272 580 V C -0.377 175.524 176.094 -0.321 0.000 1.027 580 V CA -0.331 61.802 62.300 -0.278 0.000 0.823 580 V CB 0.394 32.135 31.823 -0.137 0.000 1.030 580 V HN 0.645 nan 8.190 nan 0.000 0.457 581 F N 2.651 122.616 119.950 0.025 0.000 2.411 581 F HA 0.321 4.848 4.527 -0.000 0.000 0.350 581 F C 0.890 176.692 175.800 0.004 0.000 1.114 581 F CA -0.382 57.637 58.000 0.031 0.000 1.135 581 F CB 0.906 39.936 39.000 0.049 0.000 1.120 581 F HN 0.435 nan 8.300 nan 0.000 0.495 582 D N 4.785 125.294 120.400 0.181 0.000 2.390 582 D HA 0.105 4.745 4.640 -0.000 0.000 0.249 582 D C 0.364 176.711 176.300 0.078 0.000 1.144 582 D CA 0.072 54.127 54.000 0.093 0.000 0.880 582 D CB 0.951 41.790 40.800 0.065 0.000 1.182 582 D HN 0.663 nan 8.370 nan 0.000 0.451 583 I N 0.939 121.529 120.570 0.034 0.000 3.707 583 I HA 0.376 4.546 4.170 -0.000 0.000 0.330 583 I C 1.371 177.484 176.117 -0.007 0.000 1.572 583 I CA -0.777 60.522 61.300 -0.002 0.000 1.104 583 I CB 0.775 38.754 38.000 -0.034 0.000 1.240 583 I HN 0.316 nan 8.210 nan 0.000 0.475 584 G N 1.470 110.274 108.800 0.007 0.000 2.509 584 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 584 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 584 G C 1.338 176.245 174.900 0.012 0.000 1.124 584 G CA 0.998 46.108 45.100 0.015 0.000 0.776 584 G HN 0.586 nan 8.290 nan 0.000 0.547 585 S N -0.638 115.059 115.700 -0.005 0.000 2.575 585 S HA 0.375 4.845 4.470 -0.000 0.000 0.237 585 S C 0.509 175.095 174.600 -0.024 0.000 0.975 585 S CA -0.608 57.578 58.200 -0.023 0.000 0.960 585 S CB -0.004 63.182 63.200 -0.023 0.000 0.822 585 S HN 0.106 nan 8.310 nan 0.000 0.472 586 L N 2.575 123.795 121.223 -0.005 0.000 2.290 586 L HA 0.381 4.721 4.340 -0.000 0.000 0.284 586 L C -0.063 176.840 176.870 0.055 0.000 1.078 586 L CA -0.553 54.280 54.840 -0.011 0.000 0.815 586 L CB 0.911 42.941 42.059 -0.048 0.000 1.162 586 L HN 0.260 nan 8.230 nan 0.000 0.435 587 K N 3.719 124.138 120.400 0.031 0.000 2.473 587 K HA -0.125 4.195 4.320 -0.000 0.000 0.277 587 K C 0.660 177.371 176.600 0.185 0.000 1.052 587 K CA -0.088 56.244 56.287 0.075 0.000 1.114 587 K CB 0.417 32.966 32.500 0.081 0.000 0.869 587 K HN 0.489 nan 8.250 nan 0.000 0.481 588 H N 1.726 120.789 119.070 -0.012 0.000 2.457 588 H HA -0.165 4.391 4.556 -0.000 0.000 0.297 588 H C 1.783 177.260 175.328 0.249 0.000 1.092 588 H CA 1.281 57.402 56.048 0.123 0.000 1.309 588 H CB 0.055 29.879 29.762 0.103 0.000 1.382 588 H HN 0.720 nan 8.280 nan 0.000 0.535 589 E N 0.759 121.203 120.200 0.405 0.000 2.219 589 E HA -0.172 4.178 4.350 -0.000 0.000 0.198 589 E C 1.362 178.024 176.600 0.104 0.000 0.998 589 E CA 0.990 57.544 56.400 0.256 0.000 0.818 589 E CB -0.084 29.749 29.700 0.222 0.000 0.741 589 E HN 0.478 nan 8.360 nan 0.000 0.477 590 L N 0.311 121.569 121.223 0.059 0.000 2.554 590 L HA 0.056 4.396 4.340 -0.000 0.000 0.225 590 L C 2.357 179.166 176.870 -0.101 0.000 1.104 590 L CA -0.201 54.625 54.840 -0.024 0.000 0.866 590 L CB -0.046 41.987 42.059 -0.043 0.000 1.047 590 L HN 0.165 nan 8.230 nan 0.000 0.468 591 L N 0.913 122.070 121.223 -0.110 0.000 2.051 591 L HA -0.209 4.131 4.340 -0.000 0.000 0.214 591 L C -0.308 176.404 176.870 -0.263 0.000 1.076 591 L CA 1.836 56.557 54.840 -0.197 0.000 0.758 591 L CB -1.464 40.442 42.059 -0.256 0.000 0.890 591 L HN 0.291 nan 8.230 nan 0.000 0.433 592 P HA -0.118 nan 4.420 nan 0.000 0.230 592 P C 1.416 178.524 177.300 -0.321 0.000 1.158 592 P CA 0.774 63.539 63.100 -0.557 0.000 0.769 592 P CB 0.131 31.043 31.700 -1.313 0.000 0.807 593 L N -1.333 119.800 121.223 -0.150 0.000 2.509 593 L HA 0.022 4.362 4.340 -0.000 0.000 0.222 593 L C 2.015 178.975 176.870 0.150 0.000 1.123 593 L CA 0.798 55.738 54.840 0.166 0.000 0.856 593 L CB -0.799 41.361 42.059 0.169 0.000 0.985 593 L HN -0.227 nan 8.230 nan 0.000 0.456 594 V N 1.090 121.010 119.914 0.011 0.000 2.231 594 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 594 V C -0.139 176.029 176.094 0.124 0.000 1.054 594 V CA 2.361 64.674 62.300 0.022 0.000 1.015 594 V CB -1.557 30.218 31.823 -0.081 0.000 0.638 594 V HN 0.348 nan 8.190 nan 0.000 0.444 595 P HA -0.136 nan 4.420 nan 0.000 0.216 595 P C 1.867 179.212 177.300 0.075 0.000 1.150 595 P CA 1.464 64.571 63.100 0.012 0.000 0.837 595 P CB -0.076 31.536 31.700 -0.146 0.000 0.786 596 L N -2.682 118.641 121.223 0.168 0.000 2.156 596 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 596 L C 2.363 179.375 176.870 0.238 0.000 1.095 596 L CA 0.960 55.892 54.840 0.153 0.000 0.770 596 L CB -0.781 41.413 42.059 0.226 0.000 0.914 596 L HN -0.067 nan 8.230 nan 0.000 0.439 597 F N 0.227 120.250 119.950 0.121 0.000 2.102 597 F HA -0.267 4.260 4.527 -0.000 0.000 0.298 597 F C 2.513 178.361 175.800 0.079 0.000 1.105 597 F CA 1.564 59.600 58.000 0.060 0.000 1.239 597 F CB -0.441 38.544 39.000 -0.026 0.000 0.991 597 F HN 0.028 nan 8.300 nan 0.000 0.474 598 C N 0.429 119.811 119.300 0.136 0.000 2.413 598 C HA -0.218 4.242 4.460 -0.000 0.000 0.276 598 C C 2.785 177.708 174.990 -0.113 0.000 1.248 598 C CA 1.566 60.590 59.018 0.010 0.000 1.742 598 C CB -1.410 26.386 27.740 0.094 0.000 2.017 598 C HN 0.662 nan 8.230 nan 0.000 0.481 599 Q N 0.786 120.485 119.800 -0.169 0.000 2.079 599 Q HA -0.154 4.186 4.340 -0.000 0.000 0.200 599 Q C 2.235 177.977 176.000 -0.430 0.000 0.974 599 Q CA 1.830 57.401 55.803 -0.387 0.000 0.840 599 Q CB -0.092 28.259 28.738 -0.646 0.000 0.898 599 Q HN 0.632 nan 8.270 nan 0.000 0.430 600 S N 0.871 116.454 115.700 -0.195 0.000 2.374 600 S HA -0.167 4.303 4.470 -0.000 0.000 0.227 600 S C 1.824 176.485 174.600 0.102 0.000 1.037 600 S CA 1.225 59.527 58.200 0.170 0.000 1.024 600 S CB -0.319 63.152 63.200 0.452 0.000 0.861 600 S HN 0.395 nan 8.310 nan 0.000 0.456 601 L N 0.365 121.564 121.223 -0.041 0.000 2.131 601 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 601 L C 1.812 178.668 176.870 -0.023 0.000 1.092 601 L CA 1.065 55.864 54.840 -0.068 0.000 0.759 601 L CB -0.331 41.621 42.059 -0.179 0.000 0.903 601 L HN 0.301 nan 8.230 nan 0.000 0.435 602 L N -1.867 119.333 121.223 -0.037 0.000 2.616 602 L HA 0.158 4.498 4.340 -0.000 0.000 0.229 602 L C 0.728 177.644 176.870 0.076 0.000 1.110 602 L CA 0.074 54.919 54.840 0.009 0.000 0.884 602 L CB 0.248 42.290 42.059 -0.029 0.000 1.115 602 L HN 0.176 nan 8.230 nan 0.000 0.481 606 T N -1.839 112.727 114.554 0.020 0.000 2.876 606 T HA 0.531 4.881 4.350 -0.000 0.000 0.277 606 T C 1.349 176.048 174.700 -0.002 0.000 0.997 606 T CA -0.124 61.968 62.100 -0.013 0.000 0.966 606 T CB 1.464 70.324 68.868 -0.013 0.000 1.312 606 T HN 0.371 nan 8.240 nan 0.000 0.598 607 K N 0.419 120.813 120.400 -0.010 0.000 2.074 607 K HA -0.068 4.252 4.320 -0.000 0.000 0.209 607 K C 1.535 178.139 176.600 0.007 0.000 1.048 607 K CA 1.971 58.258 56.287 -0.000 0.000 0.926 607 K CB -0.187 32.311 32.500 -0.004 0.000 0.713 607 K HN 0.576 nan 8.250 nan 0.000 0.444 608 D N -1.357 119.046 120.400 0.006 0.000 2.423 608 D HA 0.131 4.771 4.640 -0.000 0.000 0.208 608 D C -0.071 176.236 176.300 0.010 0.000 1.068 608 D CA 0.211 54.216 54.000 0.008 0.000 0.860 608 D CB 0.796 41.600 40.800 0.006 0.000 0.992 608 D HN 0.076 nan 8.370 nan 0.000 0.504 609 L N 0.974 122.205 121.223 0.014 0.000 2.381 609 L HA 0.297 4.637 4.340 -0.000 0.000 0.268 609 L C 0.504 177.394 176.870 0.033 0.000 0.997 609 L CA -0.771 54.078 54.840 0.016 0.000 0.818 609 L CB 2.251 44.316 42.059 0.011 0.000 1.310 609 L HN -0.158 nan 8.230 nan 0.000 0.416 610 T N -2.039 112.535 114.554 0.034 0.000 2.788 610 T HA 0.124 4.474 4.350 -0.000 0.000 0.287 610 T C 1.025 175.785 174.700 0.099 0.000 1.007 610 T CA -0.319 61.823 62.100 0.071 0.000 1.005 610 T CB 0.745 69.646 68.868 0.054 0.000 1.012 610 T HN 0.472 nan 8.240 nan 0.000 0.530 611 F N 1.540 121.501 119.950 0.018 0.000 2.063 611 F HA -0.146 4.380 4.527 -0.000 0.000 0.298 611 F C 2.008 177.817 175.800 0.015 0.000 1.109 611 F CA 1.739 59.754 58.000 0.025 0.000 1.212 611 F CB -1.243 37.785 39.000 0.047 0.000 0.973 611 F HN 0.335 nan 8.300 nan 0.000 0.480 612 V N 0.867 120.480 119.914 -0.502 0.000 2.287 612 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 612 V C 2.517 178.445 176.094 -0.277 0.000 1.053 612 V CA 2.434 64.403 62.300 -0.552 0.000 1.027 612 V CB -0.930 30.704 31.823 -0.314 0.000 0.646 612 V HN 0.484 nan 8.190 nan 0.000 0.447 613 Q N -1.019 118.697 119.800 -0.140 0.000 2.050 613 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 613 Q C 2.292 178.250 176.000 -0.070 0.000 0.980 613 Q CA 1.706 57.461 55.803 -0.079 0.000 0.840 613 Q CB -0.327 28.389 28.738 -0.036 0.000 0.898 613 Q HN 0.486 nan 8.270 nan 0.000 0.424 614 L N 1.758 122.951 121.223 -0.051 0.000 2.046 614 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 614 L C 1.988 178.827 176.870 -0.051 0.000 1.077 614 L CA 1.697 56.521 54.840 -0.026 0.000 0.747 614 L CB -0.793 41.278 42.059 0.020 0.000 0.896 614 L HN 0.272 nan 8.230 nan 0.000 0.432 615 N N -0.537 118.100 118.700 -0.105 0.000 2.166 615 N HA -0.228 4.512 4.740 -0.000 0.000 0.186 615 N C 1.780 177.222 175.510 -0.114 0.000 1.019 615 N CA 1.632 54.610 53.050 -0.120 0.000 0.856 615 N CB -0.004 38.331 38.487 -0.254 0.000 0.993 615 N HN 0.594 nan 8.380 nan 0.000 0.426 616 Q N 0.128 119.854 119.800 -0.124 0.000 2.172 616 Q HA 0.037 4.377 4.340 -0.000 0.000 0.200 616 Q C 2.298 178.261 176.000 -0.061 0.000 0.964 616 Q CA 0.674 56.425 55.803 -0.087 0.000 0.855 616 Q CB 0.124 28.815 28.738 -0.079 0.000 0.918 616 Q HN 0.394 nan 8.270 nan 0.000 0.444 617 L N 0.136 121.326 121.223 -0.055 0.000 2.046 617 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 617 L C 2.208 179.046 176.870 -0.055 0.000 1.077 617 L CA 1.047 55.861 54.840 -0.043 0.000 0.747 617 L CB -0.343 41.697 42.059 -0.031 0.000 0.896 617 L HN 0.260 nan 8.230 nan 0.000 0.432 618 I N -0.239 120.293 120.570 -0.064 0.000 2.179 618 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 618 I C 2.608 178.662 176.117 -0.105 0.000 1.088 618 I CA 1.562 62.812 61.300 -0.084 0.000 1.357 618 I CB -0.839 37.115 38.000 -0.075 0.000 1.051 618 I HN 0.264 nan 8.210 nan 0.000 0.409 619 G N 0.246 108.994 108.800 -0.087 0.000 2.432 619 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 619 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 619 G C 1.804 176.655 174.900 -0.081 0.000 1.135 619 G CA 0.602 45.651 45.100 -0.084 0.000 0.767 619 G HN 0.289 nan 8.290 nan 0.000 0.550 620 R N 0.131 120.593 120.500 -0.063 0.000 2.127 620 R HA 0.129 4.469 4.340 -0.000 0.000 0.217 620 R C 2.143 178.412 176.300 -0.051 0.000 1.074 620 R CA 1.013 57.088 56.100 -0.042 0.000 0.991 620 R CB -0.049 30.237 30.300 -0.023 0.000 0.895 620 R HN 0.242 nan 8.270 nan 0.000 0.450 621 K N -0.705 119.651 120.400 -0.072 0.000 2.348 621 K HA 0.069 4.389 4.320 -0.000 0.000 0.194 621 K C 0.440 176.964 176.600 -0.127 0.000 1.052 621 K CA 0.811 57.055 56.287 -0.072 0.000 1.004 621 K CB 1.165 33.633 32.500 -0.053 0.000 0.873 621 K HN 0.221 nan 8.250 nan 0.000 0.523 622 T N -4.019 110.414 114.554 -0.201 0.000 2.831 622 T HA 0.410 4.760 4.350 -0.000 0.000 0.287 622 T C 0.797 175.149 174.700 -0.580 0.000 1.070 622 T CA -0.726 61.173 62.100 -0.336 0.000 1.010 622 T CB 1.831 70.531 68.868 -0.279 0.000 1.264 622 T HN -0.002 nan 8.240 nan 0.000 0.532 623 G N -1.136 107.094 108.800 -0.950 0.000 3.284 623 G HA2 0.556 4.516 3.960 -0.000 0.000 0.236 623 G HA3 0.556 4.516 3.960 -0.000 0.000 0.236 623 G C 0.780 175.374 174.900 -0.511 0.000 1.158 623 G CA -0.060 44.287 45.100 -1.254 0.000 0.774 623 G HN 1.598 nan 8.290 nan 0.000 0.545 624 G N -0.481 108.113 108.800 -0.343 0.000 2.525 624 G HA2 0.060 4.020 3.960 -0.000 0.000 0.685 624 G HA3 0.060 4.020 3.960 -0.000 0.000 0.685 624 G C -1.132 173.679 174.900 -0.149 0.000 1.285 624 G CA -0.937 44.051 45.100 -0.188 0.000 0.849 624 G HN 0.424 nan 8.290 nan 0.000 0.653 625 I N 1.222 121.732 120.570 -0.100 0.000 2.533 625 I HA 0.633 4.803 4.170 -0.000 0.000 0.290 625 I C 0.388 176.490 176.117 -0.025 0.000 1.056 625 I CA -0.790 60.465 61.300 -0.075 0.000 1.057 625 I CB 2.407 40.355 38.000 -0.085 0.000 1.240 625 I HN 0.870 nan 8.210 nan 0.000 0.423 626 S N 4.996 120.708 115.700 0.019 0.000 2.568 626 S HA 0.868 5.338 4.470 -0.000 0.000 0.293 626 S C -0.939 173.735 174.600 0.125 0.000 1.089 626 S CA -0.731 57.518 58.200 0.080 0.000 0.945 626 S CB 2.316 65.583 63.200 0.112 0.000 1.077 626 S HN 0.277 nan 8.310 nan 0.000 0.485 627 V N 2.951 122.949 119.914 0.139 0.000 2.577 627 V HA 0.726 4.846 4.120 -0.000 0.000 0.303 627 V C -1.331 174.871 176.094 0.181 0.000 1.042 627 V CA -0.658 61.695 62.300 0.090 0.000 0.872 627 V CB 0.704 32.564 31.823 0.062 0.000 0.998 627 V HN 1.043 nan 8.190 nan 0.000 0.423 628 Y N 3.894 124.224 120.300 0.050 0.000 2.592 628 Y HA 0.850 5.400 4.550 -0.000 0.000 0.334 628 Y C -3.198 172.729 175.900 0.044 0.000 1.136 628 Y CA -2.836 55.280 58.100 0.026 0.000 1.042 628 Y CB 1.787 40.242 38.460 -0.008 0.000 1.325 628 Y HN 0.420 nan 8.280 nan 0.000 0.457 629 P HA 0.338 nan 4.420 nan 0.000 0.278 629 P C -1.354 176.026 177.300 0.133 0.000 1.238 629 P CA -0.162 62.972 63.100 0.057 0.000 0.794 629 P CB 2.371 34.075 31.700 0.006 0.000 0.955 630 L N 3.062 124.322 121.223 0.062 0.000 2.376 630 L HA 0.589 4.928 4.340 -0.000 0.000 0.275 630 L C -0.452 176.426 176.870 0.013 0.000 0.987 630 L CA 0.036 54.923 54.840 0.078 0.000 0.828 630 L CB 1.797 43.909 42.059 0.089 0.000 1.249 630 L HN 0.554 nan 8.230 nan 0.000 0.409 631 T N 1.103 115.659 114.554 0.002 0.000 2.886 631 T HA 0.843 5.193 4.350 -0.000 0.000 0.292 631 T C -0.712 173.977 174.700 -0.019 0.000 1.012 631 T CA -0.506 61.583 62.100 -0.018 0.000 0.982 631 T CB 1.636 70.484 68.868 -0.033 0.000 1.018 631 T HN 0.693 nan 8.240 nan 0.000 0.451 632 S N 1.905 117.588 115.700 -0.028 0.000 2.565 632 S HA 0.655 5.125 4.470 -0.000 0.000 0.269 632 S C -0.614 173.972 174.600 -0.023 0.000 1.153 632 S CA -0.674 57.503 58.200 -0.038 0.000 0.835 632 S CB 1.748 64.884 63.200 -0.107 0.000 1.122 632 S HN 0.916 nan 8.310 nan 0.000 0.462 633 S N 1.097 116.803 115.700 0.009 0.000 2.593 633 S HA 0.533 5.003 4.470 -0.000 0.000 0.269 633 S C -0.702 173.911 174.600 0.022 0.000 1.334 633 S CA -0.458 57.770 58.200 0.046 0.000 1.015 633 S CB 0.971 64.231 63.200 0.101 0.000 0.912 633 S HN 0.594 nan 8.310 nan 0.000 0.541 634 V N 2.999 122.943 119.914 0.049 0.000 2.444 634 V HA 0.378 4.498 4.120 -0.000 0.000 0.294 634 V C 0.267 176.432 176.094 0.119 0.000 1.022 634 V CA -0.794 61.537 62.300 0.052 0.000 0.850 634 V CB 1.398 33.225 31.823 0.007 0.000 0.992 634 V HN 0.759 nan 8.190 nan 0.000 0.426 635 R N 2.968 123.583 120.500 0.192 0.000 2.458 635 R HA 0.410 4.750 4.340 -0.000 0.000 0.303 635 R C 1.293 177.644 176.300 0.086 0.000 1.013 635 R CA 1.408 57.606 56.100 0.165 0.000 1.026 635 R CB 0.091 30.491 30.300 0.166 0.000 0.948 635 R HN 1.143 nan 8.270 nan 0.000 0.417 636 G N 3.172 112.012 108.800 0.067 0.000 2.232 636 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.226 636 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.226 636 G C -0.236 174.682 174.900 0.031 0.000 0.996 636 G CA -0.105 45.012 45.100 0.029 0.000 0.626 636 G HN 0.530 nan 8.290 nan 0.000 0.509 637 K N 0.131 120.556 120.400 0.042 0.000 2.221 637 K HA 0.516 4.836 4.320 -0.000 0.000 0.243 637 K C -0.093 176.532 176.600 0.041 0.000 0.968 637 K CA -0.768 55.538 56.287 0.031 0.000 0.846 637 K CB 1.635 34.147 32.500 0.019 0.000 1.141 637 K HN -0.046 nan 8.250 nan 0.000 0.434 638 D N 1.176 121.594 120.400 0.030 0.000 2.277 638 D HA -0.028 4.612 4.640 -0.000 0.000 0.209 638 D C -0.283 176.033 176.300 0.027 0.000 0.970 638 D CA 0.796 54.815 54.000 0.032 0.000 0.874 638 D CB 0.553 41.367 40.800 0.022 0.000 0.982 638 D HN 0.474 nan 8.370 nan 0.000 0.504 639 E N 2.804 123.015 120.200 0.017 0.000 2.376 639 E HA 0.099 4.449 4.350 -0.000 0.000 0.266 639 E C -2.113 174.499 176.600 0.019 0.000 1.009 639 E CA -1.227 55.181 56.400 0.014 0.000 0.902 639 E CB 0.759 30.461 29.700 0.003 0.000 0.972 639 E HN 0.165 nan 8.360 nan 0.000 0.439 640 P HA -0.011 nan 4.420 nan 0.000 0.276 640 P C -0.376 176.924 177.300 0.001 0.000 1.244 640 P CA -0.545 62.567 63.100 0.021 0.000 0.801 640 P CB 0.753 32.474 31.700 0.035 0.000 1.006 641 C N 1.990 121.280 119.300 -0.017 0.000 2.464 641 C HA 0.456 4.916 4.460 -0.000 0.000 0.370 641 C C 0.479 175.455 174.990 -0.022 0.000 1.267 641 C CA 0.270 59.270 59.018 -0.029 0.000 1.781 641 C CB -1.815 25.890 27.740 -0.058 0.000 2.431 641 C HN 0.558 nan 8.230 nan 0.000 0.556 642 S N 6.308 121.999 115.700 -0.016 0.000 2.756 642 S HA 0.656 5.126 4.470 -0.000 0.000 0.303 642 S C -1.008 173.585 174.600 -0.012 0.000 1.135 642 S CA -0.519 57.669 58.200 -0.020 0.000 1.066 642 S CB 0.061 63.246 63.200 -0.025 0.000 1.008 642 S HN 0.857 nan 8.310 nan 0.000 0.482 643 K N 3.426 123.818 120.400 -0.012 0.000 2.443 643 K HA 0.559 4.879 4.320 -0.000 0.000 0.251 643 K C -1.064 175.535 176.600 -0.001 0.000 0.972 643 K CA -0.601 55.687 56.287 0.002 0.000 0.833 643 K CB 1.781 34.273 32.500 -0.013 0.000 1.317 643 K HN 0.592 nan 8.250 nan 0.000 0.441 644 I N 2.397 122.991 120.570 0.040 0.000 2.378 644 I HA 0.390 4.560 4.170 -0.000 0.000 0.291 644 I C -0.194 175.922 176.117 -0.002 0.000 0.992 644 I CA -0.709 60.610 61.300 0.032 0.000 1.154 644 I CB 1.152 39.224 38.000 0.120 0.000 1.315 644 I HN 0.286 nan 8.210 nan 0.000 0.448 645 I N 6.793 127.217 120.570 -0.243 0.000 2.354 645 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 645 I C -0.590 175.337 176.117 -0.316 0.000 0.989 645 I CA -0.856 60.235 61.300 -0.349 0.000 1.188 645 I CB 1.887 39.545 38.000 -0.571 0.000 1.342 645 I HN 0.157 nan 8.210 nan 0.000 0.457 646 V N 7.065 126.914 119.914 -0.109 0.000 2.328 646 V HA 0.400 4.520 4.120 -0.000 0.000 0.278 646 V C 0.061 176.117 176.094 -0.063 0.000 1.021 646 V CA -0.613 61.666 62.300 -0.035 0.000 0.838 646 V CB 1.325 33.202 31.823 0.090 0.000 0.999 646 V HN 0.660 nan 8.190 nan 0.000 0.447 647 R N 3.298 123.789 120.500 -0.014 0.000 2.343 647 R HA 0.698 5.038 4.340 -0.000 0.000 0.320 647 R C -0.020 176.261 176.300 -0.033 0.000 0.956 647 R CA -0.201 55.913 56.100 0.023 0.000 0.836 647 R CB 1.558 31.951 30.300 0.155 0.000 1.151 647 R HN 0.874 nan 8.270 nan 0.000 0.450 648 G N 2.897 111.637 108.800 -0.099 0.000 2.574 648 G HA2 0.527 4.487 3.960 -0.000 0.000 0.299 648 G HA3 0.527 4.487 3.960 -0.000 0.000 0.299 648 G C -1.581 173.241 174.900 -0.130 0.000 1.298 648 G CA -0.810 44.193 45.100 -0.163 0.000 0.952 648 G HN 0.577 nan 8.290 nan 0.000 0.477 649 K N -1.163 119.130 120.400 -0.177 0.000 2.532 649 K HA 0.827 5.147 4.320 -0.000 0.000 0.265 649 K C -0.750 175.658 176.600 -0.321 0.000 0.948 649 K CA -0.762 55.403 56.287 -0.204 0.000 0.842 649 K CB 2.202 34.639 32.500 -0.106 0.000 1.392 649 K HN 0.991 nan 8.250 nan 0.000 0.436 653 G N 0.120 108.935 108.800 0.025 0.000 2.559 653 G HA2 0.013 3.973 3.960 -0.000 0.000 0.216 653 G HA3 0.013 3.973 3.960 -0.000 0.000 0.216 653 G C 1.123 176.039 174.900 0.027 0.000 1.126 653 G CA 0.968 46.084 45.100 0.026 0.000 0.778 653 G HN 0.432 nan 8.290 nan 0.000 0.543 654 R N -0.081 120.434 120.500 0.025 0.000 2.509 654 R HA 0.368 4.708 4.340 -0.000 0.000 0.300 654 R C 2.269 178.586 176.300 0.029 0.000 0.985 654 R CA 0.417 56.527 56.100 0.018 0.000 1.092 654 R CB 0.326 30.624 30.300 -0.004 0.000 1.237 654 R HN 0.226 nan 8.270 nan 0.000 0.546 655 A N 2.658 125.513 122.820 0.058 0.000 1.917 655 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 655 A C 1.763 179.469 177.584 0.204 0.000 1.182 655 A CA 2.170 54.288 52.037 0.135 0.000 0.633 655 A CB -0.324 18.762 19.000 0.144 0.000 0.819 655 A HN 0.386 nan 8.150 nan 0.000 0.448 656 D N 0.250 120.726 120.400 0.127 0.000 2.117 656 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 656 D C 0.991 177.365 176.300 0.123 0.000 0.987 656 D CA 1.499 55.574 54.000 0.125 0.000 0.829 656 D CB -0.843 39.999 40.800 0.070 0.000 0.961 656 D HN 0.413 nan 8.370 nan 0.000 0.460 657 D N 0.373 120.815 120.400 0.071 0.000 2.117 657 D HA -0.100 4.540 4.640 -0.000 0.000 0.198 657 D C 2.265 178.572 176.300 0.012 0.000 0.982 657 D CA 0.355 54.377 54.000 0.036 0.000 0.828 657 D CB -0.438 40.365 40.800 0.005 0.000 0.967 657 D HN 0.162 nan 8.370 nan 0.000 0.464 658 L N 0.152 121.361 121.223 -0.023 0.000 1.990 658 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 658 L C 2.139 178.881 176.870 -0.213 0.000 1.072 658 L CA 1.676 56.420 54.840 -0.159 0.000 0.755 658 L CB -0.849 41.060 42.059 -0.250 0.000 0.889 658 L HN -0.089 nan 8.230 nan 0.000 0.432 659 F N -0.181 119.728 119.950 -0.067 0.000 2.234 659 F HA -0.148 4.379 4.527 -0.000 0.000 0.299 659 F C 2.321 178.171 175.800 0.083 0.000 1.087 659 F CA 1.188 59.146 58.000 -0.069 0.000 1.340 659 F CB -0.658 38.302 39.000 -0.068 0.000 1.031 659 F HN 0.239 nan 8.300 nan 0.000 0.500 660 N N 0.553 119.385 118.700 0.219 0.000 2.120 660 N HA -0.084 4.656 4.740 -0.000 0.000 0.188 660 N C 0.936 176.518 175.510 0.121 0.000 1.024 660 N CA 0.728 53.880 53.050 0.170 0.000 0.852 660 N CB -0.509 38.043 38.487 0.109 0.000 1.003 660 N HN 0.172 nan 8.380 nan 0.000 0.424 664 C N 1.525 120.892 119.300 0.111 0.000 2.388 664 C HA 0.024 4.484 4.460 -0.000 0.000 0.277 664 C C 2.400 177.407 174.990 0.029 0.000 1.210 664 C CA 1.238 60.288 59.018 0.052 0.000 1.743 664 C CB -1.483 26.281 27.740 0.040 0.000 2.047 664 C HN 0.532 nan 8.230 nan 0.000 0.458 665 L N 0.224 121.470 121.223 0.038 0.000 1.990 665 L HA -0.199 4.141 4.340 -0.000 0.000 0.213 665 L C 2.655 179.529 176.870 0.005 0.000 1.072 665 L CA 1.769 56.617 54.840 0.015 0.000 0.755 665 L CB -0.762 41.311 42.059 0.024 0.000 0.889 665 L HN 0.421 nan 8.230 nan 0.000 0.432 666 L N -1.075 120.187 121.223 0.066 0.000 2.046 666 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 666 L C 2.489 179.371 176.870 0.019 0.000 1.077 666 L CA 1.404 56.285 54.840 0.069 0.000 0.747 666 L CB -0.311 41.833 42.059 0.143 0.000 0.896 666 L HN 0.393 nan 8.230 nan 0.000 0.432 667 Q N -1.555 118.247 119.800 0.002 0.000 2.316 667 Q HA 0.031 4.371 4.340 -0.000 0.000 0.235 667 Q C 1.364 177.329 176.000 -0.058 0.000 0.863 667 Q CA 0.192 55.979 55.803 -0.026 0.000 0.939 667 Q CB 0.754 29.477 28.738 -0.026 0.000 1.108 667 Q HN 0.401 nan 8.270 nan 0.000 0.522 668 E N 0.489 120.652 120.200 -0.062 0.000 2.413 668 E HA 0.094 4.444 4.350 -0.000 0.000 0.203 668 E C 0.532 177.057 176.600 -0.125 0.000 0.957 668 E CA 0.078 56.435 56.400 -0.071 0.000 0.950 668 E CB 0.700 30.382 29.700 -0.031 0.000 0.957 668 E HN -0.011 nan 8.360 nan 0.000 0.497 669 V N 3.579 123.392 119.914 -0.168 0.000 2.694 669 V HA -0.087 4.033 4.120 -0.000 0.000 0.306 669 V C 0.452 176.277 176.094 -0.448 0.000 1.054 669 V CA 0.634 62.792 62.300 -0.236 0.000 1.161 669 V CB 0.622 32.314 31.823 -0.219 0.000 0.916 669 V HN 0.113 nan 8.190 nan 0.000 0.490 670 Q N 3.978 123.590 119.800 -0.313 0.000 2.322 670 Q HA 0.382 4.722 4.340 -0.000 0.000 0.265 670 Q C -0.813 175.092 176.000 -0.159 0.000 0.985 670 Q CA -0.482 55.156 55.803 -0.275 0.000 0.849 670 Q CB 1.587 30.279 28.738 -0.076 0.000 1.274 670 Q HN 0.609 nan 8.270 nan 0.000 0.449 671 F N 1.875 121.900 119.950 0.126 0.000 2.659 671 F HA 0.108 4.635 4.527 -0.000 0.000 0.360 671 F C 1.444 177.434 175.800 0.316 0.000 1.218 671 F CA -0.079 58.037 58.000 0.193 0.000 1.317 671 F CB -0.334 38.720 39.000 0.091 0.000 1.697 671 F HN 0.409 nan 8.300 nan 0.000 0.637 672 T N -4.762 110.086 114.554 0.489 0.000 3.004 672 T HA 0.081 4.431 4.350 -0.000 0.000 0.266 672 T C 0.365 175.249 174.700 0.306 0.000 0.986 672 T CA -0.185 62.204 62.100 0.481 0.000 0.902 672 T CB 0.056 69.065 68.868 0.235 0.000 1.118 672 T HN 0.093 nan 8.240 nan 0.000 0.522 673 D N 2.255 122.776 120.400 0.202 0.000 2.494 673 D HA 0.166 4.806 4.640 -0.000 0.000 0.217 673 D C 1.093 177.073 176.300 -0.532 0.000 1.153 673 D CA -0.097 53.832 54.000 -0.119 0.000 0.954 673 D CB 0.948 41.725 40.800 -0.039 0.000 1.034 673 D HN 0.367 nan 8.370 nan 0.000 0.518 674 Q N 1.828 121.025 119.800 -1.004 0.000 2.124 674 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 674 Q C 1.155 176.733 176.000 -0.705 0.000 0.977 674 Q CA 1.126 56.011 55.803 -1.530 0.000 0.850 674 Q CB 0.439 28.317 28.738 -1.433 0.000 0.901 674 Q HN 0.444 nan 8.270 nan 0.000 0.429 675 Q N 0.052 119.571 119.800 -0.468 0.000 2.123 675 Q HA -0.074 4.266 4.340 -0.000 0.000 0.199 675 Q C 2.007 177.795 176.000 -0.353 0.000 0.966 675 Q CA 1.053 56.664 55.803 -0.320 0.000 0.845 675 Q CB -0.112 28.491 28.738 -0.224 0.000 0.907 675 Q HN 0.384 nan 8.270 nan 0.000 0.439 676 R N -0.640 119.609 120.500 -0.419 0.000 2.092 676 R HA -0.062 4.278 4.340 -0.000 0.000 0.231 676 R C 2.136 177.706 176.300 -1.218 0.000 1.119 676 R CA 0.815 56.526 56.100 -0.648 0.000 0.970 676 R CB -0.364 29.624 30.300 -0.519 0.000 0.864 676 R HN 0.161 nan 8.270 nan 0.000 0.440 677 F N 2.221 121.581 119.950 -0.983 0.000 2.126 677 F HA -0.231 4.296 4.527 -0.000 0.000 0.299 677 F C 2.499 178.034 175.800 -0.441 0.000 1.096 677 F CA 1.640 59.202 58.000 -0.730 0.000 1.255 677 F CB -0.029 38.864 39.000 -0.178 0.000 0.997 677 F HN -0.159 nan 8.300 nan 0.000 0.479 678 K N -0.269 120.018 120.400 -0.189 0.000 2.097 678 K HA -0.279 4.041 4.320 -0.000 0.000 0.206 678 K C 2.172 178.660 176.600 -0.187 0.000 1.049 678 K CA 1.710 57.927 56.287 -0.116 0.000 0.933 678 K CB -0.231 32.201 32.500 -0.114 0.000 0.717 678 K HN 0.230 nan 8.250 nan 0.000 0.442 679 Q N -0.204 119.427 119.800 -0.282 0.000 2.172 679 Q HA -0.081 4.259 4.340 -0.000 0.000 0.200 679 Q C 1.595 177.529 176.000 -0.110 0.000 0.964 679 Q CA 1.417 57.104 55.803 -0.195 0.000 0.855 679 Q CB -0.107 28.521 28.738 -0.183 0.000 0.918 679 Q HN 0.261 nan 8.270 nan 0.000 0.444 680 F N -0.801 119.026 119.950 -0.204 0.000 2.095 680 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 680 F C 2.255 177.922 175.800 -0.221 0.000 1.104 680 F CA 0.816 58.672 58.000 -0.240 0.000 1.232 680 F CB -1.308 37.467 39.000 -0.374 0.000 0.987 680 F HN -0.069 nan 8.300 nan 0.000 0.475 681 V N -0.583 119.271 119.914 -0.101 0.000 2.392 681 V HA -0.278 3.842 4.120 -0.000 0.000 0.249 681 V C 2.351 178.405 176.094 -0.066 0.000 1.059 681 V CA 2.055 64.292 62.300 -0.105 0.000 1.051 681 V CB -1.117 30.641 31.823 -0.108 0.000 0.658 681 V HN 0.310 nan 8.190 nan 0.000 0.455 682 S N -0.643 115.026 115.700 -0.051 0.000 2.368 682 S HA -0.266 4.204 4.470 -0.000 0.000 0.225 682 S C 2.006 176.595 174.600 -0.018 0.000 1.030 682 S CA 1.561 59.742 58.200 -0.032 0.000 0.999 682 S CB -0.312 62.870 63.200 -0.030 0.000 0.844 682 S HN 0.658 nan 8.310 nan 0.000 0.459 683 Q N 0.941 120.739 119.800 -0.002 0.000 2.061 683 Q HA -0.073 4.267 4.340 -0.000 0.000 0.204 683 Q C 2.507 178.508 176.000 0.003 0.000 0.984 683 Q CA 1.629 57.435 55.803 0.006 0.000 0.846 683 Q CB -0.268 28.487 28.738 0.028 0.000 0.902 683 Q HN 0.380 nan 8.270 nan 0.000 0.421 684 S N 0.252 115.958 115.700 0.010 0.000 2.359 684 S HA -0.221 4.249 4.470 -0.000 0.000 0.224 684 S C 1.799 176.396 174.600 -0.005 0.000 1.035 684 S CA 1.455 59.675 58.200 0.033 0.000 1.018 684 S CB -0.276 62.966 63.200 0.070 0.000 0.876 684 S HN 0.338 nan 8.310 nan 0.000 0.448 685 R N 1.301 121.765 120.500 -0.061 0.000 2.083 685 R HA -0.134 4.206 4.340 -0.000 0.000 0.237 685 R C 2.326 178.608 176.300 -0.031 0.000 1.137 685 R CA 1.599 57.645 56.100 -0.090 0.000 0.951 685 R CB -0.607 29.637 30.300 -0.094 0.000 0.851 685 R HN 0.357 nan 8.270 nan 0.000 0.434 686 A N 1.384 124.196 122.820 -0.013 0.000 1.902 686 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 686 A C 1.590 179.169 177.584 -0.008 0.000 1.181 686 A CA 0.934 52.968 52.037 -0.006 0.000 0.623 686 A CB -0.541 18.453 19.000 -0.010 0.000 0.818 686 A HN 0.428 nan 8.150 nan 0.000 0.443 690 N N 1.535 120.233 118.700 -0.004 0.000 2.061 690 N HA -0.163 4.577 4.740 -0.000 0.000 0.193 690 N C 1.843 177.348 175.510 -0.008 0.000 1.030 690 N CA 1.240 54.285 53.050 -0.009 0.000 0.856 690 N CB 0.005 38.483 38.487 -0.016 0.000 1.023 690 N HN 0.049 nan 8.380 nan 0.000 0.424 691 R N 0.945 121.438 120.500 -0.013 0.000 2.083 691 R HA -0.106 4.234 4.340 -0.000 0.000 0.237 691 R C 2.355 178.621 176.300 -0.057 0.000 1.137 691 R CA 0.860 56.944 56.100 -0.027 0.000 0.951 691 R CB -0.616 29.669 30.300 -0.025 0.000 0.851 691 R HN 0.325 nan 8.270 nan 0.000 0.434 692 L N 0.224 121.420 121.223 -0.045 0.000 2.042 692 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 692 L C 2.523 179.337 176.870 -0.095 0.000 1.076 692 L CA 1.593 56.395 54.840 -0.063 0.000 0.749 692 L CB -0.155 41.892 42.059 -0.019 0.000 0.893 692 L HN 0.205 nan 8.230 nan 0.000 0.432 693 R N -1.467 119.005 120.500 -0.046 0.000 2.140 693 R HA 0.018 4.358 4.340 -0.000 0.000 0.213 693 R C 1.953 178.253 176.300 -0.001 0.000 1.059 693 R CA 0.919 57.012 56.100 -0.012 0.000 1.000 693 R CB -0.188 30.125 30.300 0.022 0.000 0.910 693 R HN 0.336 nan 8.270 nan 0.000 0.455 694 G N -1.186 107.614 108.800 0.001 0.000 2.939 694 G HA2 0.012 3.972 3.960 -0.000 0.000 0.216 694 G HA3 0.012 3.972 3.960 -0.000 0.000 0.216 694 G C 0.368 175.395 174.900 0.212 0.000 1.125 694 G CA -0.094 45.070 45.100 0.108 0.000 0.766 694 G HN 0.106 nan 8.290 nan 0.000 0.541 695 S N -0.077 115.640 115.700 0.028 0.000 2.701 695 S HA 0.277 4.747 4.470 -0.000 0.000 0.228 695 S C 1.543 176.065 174.600 -0.130 0.000 0.948 695 S CA -0.107 58.190 58.200 0.162 0.000 1.129 695 S CB 0.688 63.936 63.200 0.081 0.000 1.352 695 S HN 0.330 nan 8.310 nan 0.000 0.446 696 G N 2.081 110.509 108.800 -0.619 0.000 2.471 696 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 696 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 696 G C 1.392 176.236 174.900 -0.093 0.000 1.125 696 G CA 1.045 45.807 45.100 -0.564 0.000 0.775 696 G HN 0.732 nan 8.290 nan 0.000 0.548 697 H N 0.353 119.466 119.070 0.071 0.000 2.387 697 H HA -0.009 4.547 4.556 -0.000 0.000 0.299 697 H C 2.522 177.925 175.328 0.125 0.000 1.090 697 H CA 1.356 57.546 56.048 0.237 0.000 1.332 697 H CB -1.123 28.877 29.762 0.397 0.000 1.386 697 H HN 0.208 nan 8.280 nan 0.000 0.516 698 G N 2.005 110.518 108.800 -0.479 0.000 2.408 698 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.217 698 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.217 698 G C 1.782 176.605 174.900 -0.129 0.000 1.150 698 G CA 0.763 45.673 45.100 -0.316 0.000 0.776 698 G HN 0.293 nan 8.290 nan 0.000 0.542 699 I N 1.860 122.369 120.570 -0.103 0.000 2.252 699 I HA -0.107 4.063 4.170 -0.000 0.000 0.245 699 I C 3.231 179.348 176.117 -0.000 0.000 1.102 699 I CA 1.192 62.465 61.300 -0.045 0.000 1.385 699 I CB -1.276 36.696 38.000 -0.047 0.000 1.064 699 I HN 0.255 nan 8.210 nan 0.000 0.414 700 A N 1.062 123.898 122.820 0.027 0.000 1.877 700 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 700 A C 2.611 180.234 177.584 0.064 0.000 1.186 700 A CA 2.155 54.235 52.037 0.073 0.000 0.620 700 A CB -0.854 18.225 19.000 0.131 0.000 0.822 700 A HN 0.408 nan 8.150 nan 0.000 0.443 701 A N -0.082 122.764 122.820 0.044 0.000 1.865 701 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 701 A C 2.557 180.159 177.584 0.029 0.000 1.191 701 A CA 2.451 54.509 52.037 0.036 0.000 0.623 701 A CB -1.213 17.802 19.000 0.024 0.000 0.826 701 A HN 1.164 nan 8.150 nan 0.000 0.444 702 A N -0.472 122.352 122.820 0.008 0.000 1.908 702 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 702 A C 1.733 179.334 177.584 0.028 0.000 1.181 702 A CA 1.825 53.864 52.037 0.003 0.000 0.627 702 A CB -0.398 18.588 19.000 -0.024 0.000 0.818 702 A HN 0.522 nan 8.150 nan 0.000 0.445 709 N N -1.103 117.666 118.700 0.116 0.000 2.823 709 N HA 0.307 5.047 4.740 -0.000 0.000 0.251 709 N C 0.020 175.623 175.510 0.154 0.000 1.392 709 N CA -0.831 52.287 53.050 0.113 0.000 0.864 709 N CB 1.067 39.614 38.487 0.099 0.000 1.481 709 N HN -0.013 nan 8.380 nan 0.000 0.508 710 I N -0.274 120.378 120.570 0.137 0.000 2.439 710 I HA -0.066 4.104 4.170 -0.000 0.000 0.251 710 I C 1.826 178.072 176.117 0.216 0.000 1.139 710 I CA 1.333 62.747 61.300 0.190 0.000 1.438 710 I CB -0.350 37.723 38.000 0.121 0.000 1.085 710 I HN 0.803 nan 8.210 nan 0.000 0.427 711 A N 0.783 123.682 122.820 0.132 0.000 1.933 711 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 711 A C 2.324 179.961 177.584 0.088 0.000 1.175 711 A CA 1.708 53.798 52.037 0.088 0.000 0.628 711 A CB -1.424 17.608 19.000 0.053 0.000 0.814 711 A HN 0.508 nan 8.150 nan 0.000 0.444 712 G N -1.189 107.681 108.800 0.116 0.000 2.421 712 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.216 712 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.216 712 G C 0.738 175.718 174.900 0.134 0.000 1.171 712 G CA 0.707 45.870 45.100 0.105 0.000 0.775 712 G HN 0.633 nan 8.290 nan 0.000 0.543 716 E N 2.545 122.635 120.200 -0.183 0.000 2.070 716 E HA -0.112 4.238 4.350 -0.000 0.000 0.197 716 E C 0.877 177.338 176.600 -0.232 0.000 1.004 716 E CA 1.502 57.800 56.400 -0.171 0.000 0.805 716 E CB -0.176 29.444 29.700 -0.133 0.000 0.744 716 E HN 0.339 nan 8.360 nan 0.000 0.451 720 G N 0.003 108.799 108.800 -0.006 0.000 2.641 720 G HA2 0.498 4.458 3.960 -0.000 0.000 0.239 720 G HA3 0.498 4.458 3.960 -0.000 0.000 0.239 720 G C 1.041 175.977 174.900 0.061 0.000 1.402 720 G CA 0.011 45.117 45.100 0.010 0.000 1.046 720 G HN 0.421 nan 8.290 nan 0.000 0.565 721 L N 0.098 121.344 121.223 0.039 0.000 2.046 721 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 721 L C 2.940 179.845 176.870 0.057 0.000 1.077 721 L CA 2.537 57.404 54.840 0.046 0.000 0.747 721 L CB -0.715 41.368 42.059 0.040 0.000 0.896 721 L HN 0.407 nan 8.230 nan 0.000 0.432 722 S N -1.360 114.371 115.700 0.051 0.000 2.402 722 S HA -0.278 4.192 4.470 -0.000 0.000 0.233 722 S C 1.832 176.490 174.600 0.097 0.000 1.030 722 S CA 1.671 59.904 58.200 0.054 0.000 1.003 722 S CB -0.746 62.450 63.200 -0.006 0.000 0.813 722 S HN 0.631 nan 8.310 nan 0.000 0.477 723 Y N 1.657 121.941 120.300 -0.028 0.000 2.263 723 Y HA -0.003 4.547 4.550 -0.000 0.000 0.292 723 Y C 2.034 177.961 175.900 0.046 0.000 1.130 723 Y CA 0.681 58.785 58.100 0.007 0.000 1.179 723 Y CB -0.565 37.871 38.460 -0.040 0.000 0.998 723 Y HN 0.163 nan 8.280 nan 0.000 0.532 724 L N 1.060 122.235 121.223 -0.080 0.000 2.012 724 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 724 L C 2.363 179.076 176.870 -0.261 0.000 1.073 724 L CA 2.272 56.974 54.840 -0.229 0.000 0.748 724 L CB -0.981 41.022 42.059 -0.094 0.000 0.891 724 L HN 0.412 nan 8.230 nan 0.000 0.431 725 E N -1.049 119.129 120.200 -0.037 0.000 2.058 725 E HA -0.328 4.022 4.350 -0.000 0.000 0.194 725 E C 2.306 178.924 176.600 0.031 0.000 0.997 725 E CA 1.690 58.126 56.400 0.059 0.000 0.801 725 E CB -1.168 28.594 29.700 0.104 0.000 0.746 725 E HN 0.493 nan 8.360 nan 0.000 0.450 726 F N 2.435 122.315 119.950 -0.115 0.000 2.063 726 F HA -0.227 4.299 4.527 -0.000 0.000 0.298 726 F C 2.306 177.994 175.800 -0.187 0.000 1.109 726 F CA 1.587 59.515 58.000 -0.119 0.000 1.212 726 F CB -0.443 38.491 39.000 -0.110 0.000 0.973 726 F HN -0.114 nan 8.300 nan 0.000 0.480 727 L N -0.694 120.266 121.223 -0.439 0.000 2.189 727 L HA -0.293 4.047 4.340 -0.000 0.000 0.214 727 L C 2.321 178.965 176.870 -0.377 0.000 1.097 727 L CA 1.781 56.309 54.840 -0.520 0.000 0.764 727 L CB -0.927 40.793 42.059 -0.565 0.000 0.900 727 L HN 0.313 nan 8.230 nan 0.000 0.436 728 H N -1.588 117.368 119.070 -0.191 0.000 2.470 728 H HA -0.087 4.469 4.556 -0.000 0.000 0.289 728 H C 2.330 177.578 175.328 -0.133 0.000 1.033 728 H CA 1.369 57.341 56.048 -0.127 0.000 1.331 728 H CB 0.199 29.915 29.762 -0.076 0.000 1.414 728 H HN 0.393 nan 8.280 nan 0.000 0.545 729 T N -1.339 113.169 114.554 -0.078 0.000 3.067 729 T HA -0.049 4.301 4.350 -0.000 0.000 0.261 729 T C 1.805 176.405 174.700 -0.167 0.000 1.110 729 T CA 0.324 62.364 62.100 -0.099 0.000 1.113 729 T CB -0.060 68.758 68.868 -0.083 0.000 0.917 729 T HN 0.098 nan 8.240 nan 0.000 0.499 730 L N 1.310 122.365 121.223 -0.280 0.000 2.202 730 L HA 0.314 4.654 4.340 -0.000 0.000 0.205 730 L C 2.590 179.424 176.870 -0.060 0.000 1.083 730 L CA 1.412 56.104 54.840 -0.246 0.000 0.790 730 L CB -0.710 41.102 42.059 -0.412 0.000 0.942 730 L HN 0.319 nan 8.230 nan 0.000 0.452 731 E N -0.012 120.159 120.200 -0.050 0.000 2.147 731 E HA -0.346 4.004 4.350 -0.000 0.000 0.199 731 E C 2.123 178.731 176.600 0.012 0.000 1.005 731 E CA 1.933 58.333 56.400 -0.001 0.000 0.810 731 E CB -0.075 29.627 29.700 0.003 0.000 0.736 731 E HN 0.523 nan 8.360 nan 0.000 0.460 732 K N 0.617 121.017 120.400 -0.001 0.000 2.076 732 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 732 K C 1.927 178.538 176.600 0.019 0.000 1.051 732 K CA 1.127 57.417 56.287 0.006 0.000 0.949 732 K CB 0.013 32.512 32.500 -0.002 0.000 0.726 732 K HN -0.018 nan 8.250 nan 0.000 0.443 733 K N 0.653 121.061 120.400 0.014 0.000 2.211 733 K HA -0.037 4.283 4.320 -0.000 0.000 0.203 733 K C 1.954 178.600 176.600 0.077 0.000 1.050 733 K CA 0.975 57.279 56.287 0.028 0.000 0.945 733 K CB 0.136 32.639 32.500 0.005 0.000 0.732 733 K HN -0.001 nan 8.250 nan 0.000 0.451 734 V N 1.723 121.705 119.914 0.114 0.000 2.548 734 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 734 V C 1.333 177.517 176.094 0.150 0.000 1.055 734 V CA 1.743 64.166 62.300 0.205 0.000 1.065 734 V CB -0.299 31.679 31.823 0.258 0.000 0.681 734 V HN 0.229 nan 8.190 nan 0.000 0.462 735 D N -0.403 120.044 120.400 0.079 0.000 2.183 735 D HA -0.058 4.582 4.640 -0.000 0.000 0.205 735 D C 2.213 178.546 176.300 0.055 0.000 0.962 735 D CA 0.844 54.871 54.000 0.045 0.000 0.849 735 D CB 0.057 40.868 40.800 0.018 0.000 0.978 735 D HN 0.478 nan 8.370 nan 0.000 0.488 736 E N 0.397 120.629 120.200 0.053 0.000 2.021 736 E HA -0.065 4.285 4.350 -0.000 0.000 0.189 736 E C -0.038 176.595 176.600 0.055 0.000 0.980 736 E CA 0.942 57.368 56.400 0.043 0.000 0.803 736 E CB 0.213 29.929 29.700 0.028 0.000 0.766 736 E HN 0.294 nan 8.360 nan 0.000 0.449 737 D N -0.458 119.979 120.400 0.062 0.000 2.400 737 D HA -0.039 4.601 4.640 -0.000 0.000 0.272 737 D C 0.236 176.578 176.300 0.069 0.000 1.220 737 D CA -0.537 53.495 54.000 0.054 0.000 0.897 737 D CB -0.590 40.216 40.800 0.010 0.000 1.134 737 D HN 0.283 nan 8.370 nan 0.000 0.507 738 W N 2.958 124.224 121.300 -0.058 0.000 2.342 738 W HA -0.194 4.466 4.660 -0.000 0.000 0.297 738 W C 0.767 177.237 176.519 -0.081 0.000 1.213 738 W CA 1.231 58.522 57.345 -0.090 0.000 1.251 738 W CB 0.354 29.770 29.460 -0.075 0.000 1.136 738 W HN 0.330 nan 8.180 nan 0.000 0.526 739 E N -0.144 119.954 120.200 -0.169 0.000 2.097 739 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 739 E C 2.474 178.899 176.600 -0.291 0.000 1.000 739 E CA 1.843 58.098 56.400 -0.240 0.000 0.804 739 E CB -0.836 28.817 29.700 -0.078 0.000 0.740 739 E HN 0.373 nan 8.360 nan 0.000 0.454 740 G N 1.213 109.888 108.800 -0.208 0.000 2.433 740 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 740 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 740 G C 1.452 176.194 174.900 -0.265 0.000 1.186 740 G CA 0.791 45.785 45.100 -0.177 0.000 0.779 740 G HN 0.072 nan 8.290 nan 0.000 0.543 741 I N 1.303 121.647 120.570 -0.375 0.000 2.142 741 I HA -0.140 4.030 4.170 -0.000 0.000 0.240 741 I C 2.941 178.631 176.117 -0.713 0.000 1.078 741 I CA 1.527 62.525 61.300 -0.503 0.000 1.343 741 I CB -1.402 36.232 38.000 -0.611 0.000 1.046 741 I HN 0.240 nan 8.210 nan 0.000 0.405 742 S N 1.025 116.065 115.700 -1.101 0.000 2.365 742 S HA -0.207 4.263 4.470 -0.000 0.000 0.225 742 S C 2.307 176.665 174.600 -0.404 0.000 1.039 742 S CA 2.463 60.120 58.200 -0.904 0.000 1.033 742 S CB -0.336 62.266 63.200 -0.997 0.000 0.887 742 S HN 0.662 nan 8.310 nan 0.000 0.447 743 S N 0.280 115.787 115.700 -0.321 0.000 2.423 743 S HA 0.004 4.474 4.470 -0.000 0.000 0.231 743 S C 2.013 176.525 174.600 -0.147 0.000 1.014 743 S CA 1.278 59.378 58.200 -0.167 0.000 0.965 743 S CB -0.645 62.476 63.200 -0.131 0.000 0.785 743 S HN 0.455 nan 8.310 nan 0.000 0.495 744 S N 2.105 117.692 115.700 -0.188 0.000 2.368 744 S HA 0.157 4.627 4.470 -0.000 0.000 0.224 744 S C 1.778 176.276 174.600 -0.171 0.000 1.029 744 S CA 1.100 59.216 58.200 -0.140 0.000 0.988 744 S CB -0.540 62.600 63.200 -0.101 0.000 0.838 744 S HN 0.452 nan 8.310 nan 0.000 0.462 745 L N 1.067 122.133 121.223 -0.262 0.000 2.046 745 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 745 L C 2.674 179.376 176.870 -0.280 0.000 1.077 745 L CA 1.305 55.914 54.840 -0.386 0.000 0.747 745 L CB -0.498 41.068 42.059 -0.822 0.000 0.896 745 L HN 0.239 nan 8.230 nan 0.000 0.432 746 E N 0.619 120.774 120.200 -0.076 0.000 2.110 746 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 746 E C 1.995 178.628 176.600 0.055 0.000 0.988 746 E CA 1.381 57.882 56.400 0.168 0.000 0.804 746 E CB 0.020 29.812 29.700 0.153 0.000 0.745 746 E HN 0.418 nan 8.360 nan 0.000 0.458 747 E N -0.253 119.923 120.200 -0.040 0.000 2.110 747 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 747 E C 2.191 178.716 176.600 -0.126 0.000 0.988 747 E CA 1.250 57.611 56.400 -0.066 0.000 0.804 747 E CB -0.188 29.470 29.700 -0.070 0.000 0.745 747 E HN 0.372 nan 8.360 nan 0.000 0.458 748 I N 0.781 121.211 120.570 -0.233 0.000 2.179 748 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 748 I C 2.718 178.577 176.117 -0.431 0.000 1.088 748 I CA 1.165 62.189 61.300 -0.461 0.000 1.357 748 I CB -0.285 37.178 38.000 -0.895 0.000 1.051 748 I HN 0.021 nan 8.210 nan 0.000 0.409 749 R N 1.282 121.676 120.500 -0.175 0.000 2.083 749 R HA -0.184 4.156 4.340 -0.000 0.000 0.237 749 R C 2.498 178.796 176.300 -0.003 0.000 1.137 749 R CA 1.615 57.784 56.100 0.115 0.000 0.951 749 R CB -0.226 30.352 30.300 0.463 0.000 0.851 749 R HN 0.196 nan 8.270 nan 0.000 0.434 750 R N -0.369 120.127 120.500 -0.007 0.000 2.105 750 R HA -0.082 4.258 4.340 -0.000 0.000 0.239 750 R C 2.320 178.585 176.300 -0.059 0.000 1.135 750 R CA 1.878 57.961 56.100 -0.028 0.000 0.967 750 R CB -0.174 30.115 30.300 -0.017 0.000 0.861 750 R HN 0.233 nan 8.270 nan 0.000 0.442 751 S N 0.657 116.305 115.700 -0.086 0.000 2.453 751 S HA -0.062 4.408 4.470 -0.000 0.000 0.231 751 S C 1.758 176.305 174.600 -0.088 0.000 1.005 751 S CA 0.940 59.090 58.200 -0.084 0.000 0.949 751 S CB 0.064 63.204 63.200 -0.100 0.000 0.774 751 S HN 0.323 nan 8.310 nan 0.000 0.510 752 L N -1.345 119.799 121.223 -0.132 0.000 2.388 752 L HA 0.466 4.806 4.340 -0.000 0.000 0.209 752 L C 0.364 177.071 176.870 -0.271 0.000 1.061 752 L CA 0.611 55.363 54.840 -0.147 0.000 0.834 752 L CB -0.403 41.559 42.059 -0.162 0.000 1.029 752 L HN -0.006 nan 8.230 nan 0.000 0.473 753 L N 2.612 123.652 121.223 -0.305 0.000 2.433 753 L HA 0.653 4.993 4.340 -0.000 0.000 0.284 753 L C -0.093 176.680 176.870 -0.160 0.000 1.120 753 L CA -0.057 54.542 54.840 -0.402 0.000 0.879 753 L CB -0.083 41.806 42.059 -0.284 0.000 1.232 753 L HN 0.470 nan 8.230 nan 0.000 0.454 754 A N 3.340 126.138 122.820 -0.036 0.000 2.605 754 A HA 0.477 4.797 4.320 -0.000 0.000 0.294 754 A C 0.319 178.010 177.584 0.178 0.000 1.062 754 A CA -0.719 51.355 52.037 0.060 0.000 0.682 754 A CB 1.327 20.355 19.000 0.046 0.000 1.278 754 A HN 0.674 nan 8.150 nan 0.000 0.410 755 R N 0.434 121.001 120.500 0.112 0.000 2.115 755 R HA -0.041 4.299 4.340 -0.000 0.000 0.226 755 R C 0.518 176.876 176.300 0.097 0.000 1.100 755 R CA 0.545 56.713 56.100 0.113 0.000 0.980 755 R CB -0.024 30.312 30.300 0.060 0.000 0.875 755 R HN 0.723 nan 8.270 nan 0.000 0.445 756 N N 0.758 119.504 118.700 0.077 0.000 2.411 756 N HA -0.084 4.656 4.740 -0.000 0.000 0.265 756 N C 0.693 176.249 175.510 0.076 0.000 1.266 756 N CA 1.463 54.549 53.050 0.060 0.000 0.889 756 N CB 0.749 39.262 38.487 0.043 0.000 1.069 756 N HN 0.432 nan 8.380 nan 0.000 0.476 757 G N 2.493 111.328 108.800 0.059 0.000 2.189 757 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.267 757 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.267 757 G C 0.664 175.600 174.900 0.060 0.000 0.975 757 G CA 0.525 45.659 45.100 0.056 0.000 0.644 757 G HN 0.819 nan 8.290 nan 0.000 0.537 758 C N 0.827 120.171 119.300 0.074 0.000 2.662 758 C HA 0.639 5.099 4.460 -0.000 0.000 0.420 758 C C 0.809 175.786 174.990 -0.021 0.000 1.314 758 C CA -0.337 58.696 59.018 0.026 0.000 1.963 758 C CB -0.718 27.066 27.740 0.075 0.000 2.686 758 C HN 0.386 nan 8.230 nan 0.000 0.609 759 I N 5.510 126.030 120.570 -0.084 0.000 2.545 759 I HA 0.490 4.660 4.170 -0.000 0.000 0.292 759 I C -0.681 175.374 176.117 -0.102 0.000 1.040 759 I CA -0.598 60.660 61.300 -0.069 0.000 1.068 759 I CB 1.930 39.905 38.000 -0.042 0.000 1.251 759 I HN 0.299 nan 8.210 nan 0.000 0.424 760 V N 4.630 124.504 119.914 -0.067 0.000 2.487 760 V HA 0.435 4.555 4.120 -0.000 0.000 0.298 760 V C -0.363 175.715 176.094 -0.028 0.000 1.028 760 V CA -0.596 61.680 62.300 -0.039 0.000 0.860 760 V CB 1.824 33.649 31.823 0.004 0.000 0.991 760 V HN 0.746 nan 8.190 nan 0.000 0.427 764 A N 2.658 125.570 122.820 0.152 0.000 2.515 764 A HA 0.749 5.069 4.320 -0.000 0.000 0.292 764 A C -1.430 176.204 177.584 0.083 0.000 1.065 764 A CA -1.002 51.093 52.037 0.097 0.000 0.641 764 A CB 0.565 19.601 19.000 0.060 0.000 1.306 764 A HN 0.951 nan 8.150 nan 0.000 0.441 765 D N 0.107 120.547 120.400 0.068 0.000 2.361 765 D HA 0.395 5.035 4.640 -0.000 0.000 0.239 765 D C 1.363 177.709 176.300 0.076 0.000 1.200 765 D CA 0.266 54.325 54.000 0.099 0.000 0.915 765 D CB 0.504 41.380 40.800 0.127 0.000 1.170 765 D HN 0.796 nan 8.370 nan 0.000 0.444 766 G N 0.949 109.795 108.800 0.078 0.000 2.553 766 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.218 766 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.218 766 G C 1.288 176.213 174.900 0.042 0.000 1.195 766 G CA 1.548 46.681 45.100 0.055 0.000 0.779 766 G HN 0.788 nan 8.290 nan 0.000 0.577 767 K N 0.065 120.493 120.400 0.047 0.000 2.097 767 K HA 0.078 4.398 4.320 -0.000 0.000 0.205 767 K C 2.493 179.111 176.600 0.030 0.000 1.050 767 K CA 1.694 58.002 56.287 0.036 0.000 0.938 767 K CB -0.374 32.149 32.500 0.038 0.000 0.718 767 K HN 0.232 nan 8.250 nan 0.000 0.442 768 S N 1.653 117.374 115.700 0.034 0.000 2.356 768 S HA -0.053 4.417 4.470 -0.000 0.000 0.223 768 S C 1.924 176.538 174.600 0.023 0.000 1.032 768 S CA 1.266 59.482 58.200 0.027 0.000 1.005 768 S CB -0.423 62.792 63.200 0.024 0.000 0.867 768 S HN 0.211 nan 8.310 nan 0.000 0.449 769 L N 1.357 122.596 121.223 0.026 0.000 2.013 769 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 769 L C 2.852 179.721 176.870 -0.002 0.000 1.073 769 L CA 1.693 56.542 54.840 0.016 0.000 0.753 769 L CB -1.387 40.681 42.059 0.016 0.000 0.890 769 L HN 0.466 nan 8.230 nan 0.000 0.432 770 T N -2.908 111.647 114.554 0.001 0.000 2.777 770 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 770 T C 1.524 176.217 174.700 -0.012 0.000 1.040 770 T CA 1.595 63.691 62.100 -0.007 0.000 1.141 770 T CB -0.692 68.175 68.868 -0.001 0.000 0.868 770 T HN 0.410 nan 8.240 nan 0.000 0.444 771 N N 0.938 119.636 118.700 -0.004 0.000 2.289 771 N HA -0.043 4.697 4.740 -0.000 0.000 0.184 771 N C 1.685 177.184 175.510 -0.019 0.000 1.016 771 N CA 0.731 53.778 53.050 -0.005 0.000 0.872 771 N CB -0.234 38.257 38.487 0.007 0.000 0.973 771 N HN 0.185 nan 8.380 nan 0.000 0.433 772 V N 2.155 122.056 119.914 -0.022 0.000 2.591 772 V HA -0.163 3.957 4.120 -0.000 0.000 0.249 772 V C 2.170 178.183 176.094 -0.135 0.000 1.053 772 V CA 1.441 63.713 62.300 -0.048 0.000 1.068 772 V CB -0.446 31.377 31.823 0.001 0.000 0.689 772 V HN 0.430 nan 8.190 nan 0.000 0.462 773 E N 0.433 120.571 120.200 -0.103 0.000 2.204 773 E HA -0.280 4.070 4.350 -0.000 0.000 0.195 773 E C 1.977 178.497 176.600 -0.133 0.000 0.990 773 E CA 1.134 57.458 56.400 -0.127 0.000 0.821 773 E CB -0.286 29.367 29.700 -0.078 0.000 0.750 773 E HN 0.450 nan 8.360 nan 0.000 0.477 774 K N 1.102 121.442 120.400 -0.100 0.000 2.097 774 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 774 K C 2.376 178.911 176.600 -0.109 0.000 1.049 774 K CA 1.766 58.005 56.287 -0.079 0.000 0.933 774 K CB 0.004 32.477 32.500 -0.045 0.000 0.717 774 K HN 0.225 nan 8.250 nan 0.000 0.442 775 S N -0.163 115.434 115.700 -0.172 0.000 2.414 775 S HA -0.071 4.399 4.470 -0.000 0.000 0.227 775 S C 2.063 176.404 174.600 -0.433 0.000 1.022 775 S CA 0.842 58.910 58.200 -0.220 0.000 0.958 775 S CB -0.478 62.630 63.200 -0.153 0.000 0.797 775 S HN -0.013 nan 8.310 nan 0.000 0.493 776 V N 3.039 122.558 119.914 -0.657 0.000 2.252 776 V HA -0.236 3.884 4.120 -0.000 0.000 0.249 776 V C 3.104 179.123 176.094 -0.125 0.000 1.056 776 V CA 1.929 63.895 62.300 -0.557 0.000 1.022 776 V CB -1.601 29.973 31.823 -0.416 0.000 0.641 776 V HN 0.630 nan 8.190 nan 0.000 0.445 777 A N -0.105 122.657 122.820 -0.098 0.000 1.917 777 A HA -0.319 4.001 4.320 -0.000 0.000 0.219 777 A C 2.364 179.953 177.584 0.008 0.000 1.182 777 A CA 2.468 54.490 52.037 -0.026 0.000 0.633 777 A CB -0.566 18.413 19.000 -0.035 0.000 0.819 777 A HN 0.595 nan 8.150 nan 0.000 0.448 778 K N -1.544 118.860 120.400 0.006 0.000 2.097 778 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 778 K C 1.833 178.489 176.600 0.094 0.000 1.050 778 K CA 1.458 57.768 56.287 0.038 0.000 0.938 778 K CB -0.337 32.184 32.500 0.036 0.000 0.718 778 K HN 0.436 nan 8.250 nan 0.000 0.442 779 F N 1.563 121.506 119.950 -0.012 0.000 2.102 779 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 779 F C 1.608 177.458 175.800 0.083 0.000 1.105 779 F CA 1.410 59.457 58.000 0.078 0.000 1.239 779 F CB -0.049 39.044 39.000 0.156 0.000 0.991 779 F HN -0.051 nan 8.300 nan 0.000 0.474 780 L N -0.024 121.229 121.223 0.050 0.000 2.217 780 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 780 L C 1.689 178.513 176.870 -0.076 0.000 1.107 780 L CA 1.142 55.960 54.840 -0.036 0.000 0.783 780 L CB -0.759 41.356 42.059 0.093 0.000 0.919 780 L HN 0.065 nan 8.230 nan 0.000 0.442 781 D N 0.112 120.485 120.400 -0.046 0.000 2.264 781 D HA -0.105 4.535 4.640 -0.000 0.000 0.208 781 D C 2.174 178.435 176.300 -0.064 0.000 0.966 781 D CA 0.928 54.904 54.000 -0.040 0.000 0.864 781 D CB 0.007 40.797 40.800 -0.018 0.000 0.933 781 D HN 0.267 nan 8.370 nan 0.000 0.499 782 L N -0.194 120.962 121.223 -0.111 0.000 2.492 782 L HA 0.112 4.452 4.340 -0.000 0.000 0.223 782 L C 0.531 177.316 176.870 -0.142 0.000 1.132 782 L CA 0.063 54.833 54.840 -0.116 0.000 0.850 782 L CB -0.099 41.886 42.059 -0.123 0.000 0.966 782 L HN -0.024 nan 8.230 nan 0.000 0.454 783 L N -0.064 121.056 121.223 -0.172 0.000 2.399 783 L HA 0.338 4.678 4.340 -0.000 0.000 0.266 783 L C -2.042 174.787 176.870 -0.070 0.000 1.114 783 L CA -2.059 52.699 54.840 -0.137 0.000 0.804 783 L CB 0.143 42.124 42.059 -0.130 0.000 1.146 783 L HN -0.223 nan 8.230 nan 0.000 0.451 784 P HA 0.032 nan 4.420 nan 0.000 0.272 784 P C 0.115 177.408 177.300 -0.012 0.000 1.230 784 P CA -0.271 62.810 63.100 -0.031 0.000 0.788 784 P CB 0.788 32.469 31.700 -0.031 0.000 0.949 785 E N 1.243 121.440 120.200 -0.005 0.000 2.072 785 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 785 E C 0.067 176.676 176.600 0.014 0.000 0.982 785 E CA 1.403 57.807 56.400 0.007 0.000 0.803 785 E CB 0.043 29.745 29.700 0.004 0.000 0.755 785 E HN 0.366 nan 8.360 nan 0.000 0.453 786 N N 0.368 119.072 118.700 0.006 0.000 2.262 786 N HA 0.309 5.049 4.740 -0.000 0.000 0.295 786 N C -2.717 172.792 175.510 -0.002 0.000 1.161 786 N CA -1.494 51.560 53.050 0.007 0.000 0.767 786 N CB 1.812 40.301 38.487 0.004 0.000 1.499 786 N HN -0.019 nan 8.380 nan 0.000 0.476 787 P HA 0.211 nan 4.420 nan 0.000 0.277 787 P C -0.511 176.779 177.300 -0.017 0.000 1.240 787 P CA -0.285 62.805 63.100 -0.016 0.000 0.798 787 P CB 0.646 32.337 31.700 -0.015 0.000 0.979 788 S N 0.727 116.414 115.700 -0.022 0.000 3.700 788 S HA 0.430 4.900 4.470 -0.000 0.000 0.192 788 S C 0.701 175.287 174.600 -0.022 0.000 1.430 788 S CA -0.485 57.704 58.200 -0.018 0.000 0.999 788 S CB -0.455 62.736 63.200 -0.016 0.000 1.411 788 S HN 0.690 nan 8.310 nan 0.000 0.491 789 G N 0.140 108.927 108.800 -0.022 0.000 2.509 789 G HA2 0.681 4.641 3.960 -0.000 0.000 0.328 789 G HA3 0.681 4.641 3.960 -0.000 0.000 0.328 789 G C 0.430 175.317 174.900 -0.022 0.000 1.194 789 G CA -0.596 44.488 45.100 -0.026 0.000 0.967 789 G HN 0.483 nan 8.290 nan 0.000 0.488 790 G N -0.987 107.798 108.800 -0.025 0.000 3.229 790 G HA2 0.571 4.531 3.960 -0.000 0.000 0.165 790 G HA3 0.571 4.531 3.960 -0.000 0.000 0.165 790 G C 0.060 174.938 174.900 -0.037 0.000 1.753 790 G CA 0.296 45.381 45.100 -0.025 0.000 1.054 790 G HN 1.059 nan 8.290 nan 0.000 0.544 791 L N -3.609 117.581 121.223 -0.055 0.000 2.223 791 L HA 0.877 5.217 4.340 -0.000 0.000 0.243 791 L C -1.167 175.610 176.870 -0.154 0.000 1.105 791 L CA -1.215 53.577 54.840 -0.080 0.000 0.943 791 L CB 1.785 43.808 42.059 -0.061 0.000 1.542 791 L HN 0.237 nan 8.230 nan 0.000 0.437 792 V N -0.320 119.476 119.914 -0.197 0.000 2.509 792 V HA 0.325 4.445 4.120 -0.000 0.000 0.289 792 V C 0.043 175.963 176.094 -0.290 0.000 1.026 792 V CA 0.039 62.115 62.300 -0.372 0.000 0.872 792 V CB 1.208 32.778 31.823 -0.423 0.000 1.017 792 V HN 0.995 nan 8.190 nan 0.000 0.436 793 T N 2.490 116.882 114.554 -0.271 0.000 2.980 793 T HA 0.071 4.421 4.350 -0.000 0.000 0.239 793 T C 0.629 175.266 174.700 -0.105 0.000 1.011 793 T CA 0.397 62.427 62.100 -0.117 0.000 1.171 793 T CB 0.138 69.010 68.868 0.006 0.000 0.873 793 T HN 0.753 nan 8.240 nan 0.000 0.431 794 W N 3.171 124.376 121.300 -0.158 0.000 2.272 794 W HA 0.520 5.180 4.660 -0.000 0.000 0.318 794 W C -1.266 175.103 176.519 -0.250 0.000 1.255 794 W CA -1.047 56.191 57.345 -0.179 0.000 1.200 794 W CB 0.378 29.738 29.460 -0.167 0.000 1.170 794 W HN 0.045 nan 8.180 nan 0.000 0.549 795 D N 1.645 122.033 120.400 -0.021 0.000 2.253 795 D HA 0.340 4.980 4.640 -0.000 0.000 0.249 795 D C 0.474 176.716 176.300 -0.096 0.000 1.049 795 D CA -0.191 53.728 54.000 -0.135 0.000 0.929 795 D CB 1.806 42.556 40.800 -0.084 0.000 1.176 795 D HN 0.561 nan 8.370 nan 0.000 0.437 796 G N 0.417 108.857 108.800 -0.601 0.000 2.420 796 G HA2 0.497 4.457 3.960 -0.000 0.000 0.284 796 G HA3 0.497 4.457 3.960 -0.000 0.000 0.284 796 G C -0.213 174.036 174.900 -1.085 0.000 1.177 796 G CA -0.340 43.795 45.100 -1.609 0.000 0.841 796 G HN 0.370 nan 8.290 nan 0.000 0.527 797 R N 0.950 120.961 120.500 -0.815 0.000 2.629 797 R HA 0.338 4.678 4.340 -0.000 0.000 0.266 797 R C -1.734 174.580 176.300 0.023 0.000 1.051 797 R CA -0.864 55.102 56.100 -0.222 0.000 0.895 797 R CB 1.493 31.745 30.300 -0.079 0.000 1.246 797 R HN 0.407 nan 8.270 nan 0.000 0.459 798 L N 3.811 125.168 121.223 0.224 0.000 2.312 798 L HA 0.459 4.799 4.340 -0.000 0.000 0.281 798 L C -2.026 174.913 176.870 0.115 0.000 1.070 798 L CA -1.728 53.236 54.840 0.206 0.000 0.805 798 L CB 1.056 43.257 42.059 0.237 0.000 1.174 798 L HN 0.540 nan 8.230 nan 0.000 0.434 799 P HA 0.052 nan 4.420 nan 0.000 0.263 799 P C -0.612 176.725 177.300 0.062 0.000 1.195 799 P CA -0.130 63.006 63.100 0.059 0.000 0.762 799 P CB 0.231 31.960 31.700 0.048 0.000 0.799 800 L N 5.452 126.707 121.223 0.053 0.000 2.597 800 L HA 0.123 4.463 4.340 -0.000 0.000 0.271 800 L C 1.157 178.045 176.870 0.031 0.000 1.157 800 L CA 0.763 55.633 54.840 0.050 0.000 0.928 800 L CB -0.443 41.644 42.059 0.047 0.000 1.216 800 L HN 0.501 nan 8.230 nan 0.000 0.481 801 R N 1.761 122.278 120.500 0.028 0.000 2.644 801 R HA 0.348 4.688 4.340 -0.000 0.000 0.257 801 R C -1.397 174.897 176.300 -0.011 0.000 1.082 801 R CA -1.018 55.079 56.100 -0.005 0.000 0.927 801 R CB 0.575 30.876 30.300 0.001 0.000 1.258 801 R HN 0.232 nan 8.270 nan 0.000 0.459 802 N N 1.982 120.622 118.700 -0.100 0.000 2.454 802 N HA 0.086 4.826 4.740 -0.000 0.000 0.260 802 N C -0.918 174.645 175.510 0.089 0.000 1.218 802 N CA 0.341 53.333 53.050 -0.096 0.000 0.904 802 N CB 0.701 38.838 38.487 -0.583 0.000 1.065 802 N HN 0.529 nan 8.380 nan 0.000 0.462 803 E N 0.127 120.467 120.200 0.234 0.000 2.293 803 E HA 0.679 5.029 4.350 -0.000 0.000 0.270 803 E C -1.111 175.561 176.600 0.120 0.000 0.879 803 E CA -1.032 55.485 56.400 0.194 0.000 0.756 803 E CB 2.101 31.864 29.700 0.105 0.000 1.208 803 E HN 0.569 nan 8.360 nan 0.000 0.428 804 A N 3.181 125.978 122.820 -0.037 0.000 2.330 804 A HA 0.613 4.933 4.320 -0.000 0.000 0.313 804 A C -0.773 176.748 177.584 -0.106 0.000 1.124 804 A CA -0.577 51.286 52.037 -0.290 0.000 0.774 804 A CB 0.414 19.034 19.000 -0.634 0.000 1.198 804 A HN 0.564 nan 8.150 nan 0.000 0.465 805 I N 2.992 123.515 120.570 -0.077 0.000 2.330 805 I HA 0.259 4.428 4.170 -0.000 0.000 0.289 805 I C -0.396 175.711 176.117 -0.016 0.000 1.001 805 I CA -0.734 60.553 61.300 -0.021 0.000 1.193 805 I CB 1.784 39.786 38.000 0.003 0.000 1.345 805 I HN 0.319 nan 8.210 nan 0.000 0.461 806 V N 7.806 127.717 119.914 -0.005 0.000 2.455 806 V HA 0.345 4.465 4.120 -0.000 0.000 0.273 806 V C 0.204 176.307 176.094 0.015 0.000 1.045 806 V CA -0.142 62.159 62.300 0.002 0.000 0.976 806 V CB 0.595 32.421 31.823 0.005 0.000 0.993 806 V HN 0.588 nan 8.190 nan 0.000 0.475 807 I N 3.529 124.113 120.570 0.023 0.000 3.042 807 I HA 0.717 4.887 4.170 -0.000 0.000 0.310 807 I C -2.699 173.438 176.117 0.033 0.000 1.117 807 I CA -2.793 58.525 61.300 0.031 0.000 1.003 807 I CB 2.598 40.620 38.000 0.037 0.000 1.228 807 I HN 0.334 nan 8.210 nan 0.000 0.443 808 P HA 0.199 nan 4.420 nan 0.000 0.275 808 P C -0.616 176.711 177.300 0.044 0.000 1.276 808 P CA 0.313 63.431 63.100 0.030 0.000 0.782 808 P CB 0.777 32.493 31.700 0.027 0.000 0.851 809 T N 1.903 116.481 114.554 0.040 0.000 2.889 809 T HA 0.198 4.548 4.350 -0.000 0.000 0.315 809 T C 0.557 175.267 174.700 0.017 0.000 1.291 809 T CA -0.233 61.896 62.100 0.049 0.000 1.028 809 T CB 1.684 70.615 68.868 0.105 0.000 1.235 809 T HN 0.035 nan 8.240 nan 0.000 0.491 810 Q N 0.786 120.584 119.800 -0.003 0.000 2.354 810 Q HA 0.275 4.615 4.340 -0.000 0.000 0.203 810 Q C 0.511 176.472 176.000 -0.065 0.000 0.933 810 Q CA 0.711 56.491 55.803 -0.038 0.000 0.901 810 Q CB 0.374 29.072 28.738 -0.067 0.000 1.007 810 Q HN 0.613 nan 8.270 nan 0.000 0.495 811 V N -2.404 117.461 119.914 -0.082 0.000 3.114 811 V HA 0.638 4.758 4.120 -0.000 0.000 0.308 811 V C -0.852 175.115 176.094 -0.211 0.000 1.168 811 V CA -1.370 60.830 62.300 -0.167 0.000 1.015 811 V CB 2.173 33.839 31.823 -0.262 0.000 1.050 811 V HN -0.085 nan 8.190 nan 0.000 0.433 812 N N 0.472 119.012 118.700 -0.266 0.000 2.502 812 N HA 0.683 5.423 4.740 -0.000 0.000 0.280 812 N C -1.596 173.640 175.510 -0.457 0.000 1.223 812 N CA -0.323 52.614 53.050 -0.188 0.000 0.966 812 N CB 1.092 39.542 38.487 -0.062 0.000 1.203 812 N HN 0.834 nan 8.380 nan 0.000 0.565 813 Y N -0.772 119.563 120.300 0.060 0.000 2.322 813 Y HA 0.416 4.966 4.550 -0.000 0.000 0.324 813 Y C -0.703 175.272 175.900 0.124 0.000 1.027 813 Y CA -0.838 57.341 58.100 0.131 0.000 1.179 813 Y CB 1.271 39.854 38.460 0.205 0.000 1.136 813 Y HN 0.021 nan 8.280 nan 0.000 0.449 814 V N 2.800 122.861 119.914 0.246 0.000 2.487 814 V HA 0.922 5.042 4.120 -0.000 0.000 0.298 814 V C 0.207 176.504 176.094 0.339 0.000 1.028 814 V CA -0.666 61.779 62.300 0.242 0.000 0.860 814 V CB 1.737 33.655 31.823 0.158 0.000 0.991 814 V HN 0.899 nan 8.190 nan 0.000 0.427 815 G N 3.138 112.135 108.800 0.328 0.000 2.533 815 G HA2 0.783 4.743 3.960 -0.000 0.000 0.304 815 G HA3 0.783 4.743 3.960 -0.000 0.000 0.304 815 G C -1.385 173.720 174.900 0.342 0.000 1.263 815 G CA -0.722 44.553 45.100 0.291 0.000 0.964 815 G HN 0.632 nan 8.290 nan 0.000 0.479 816 K N -0.436 120.119 120.400 0.257 0.000 2.543 816 K HA 0.662 4.982 4.320 -0.000 0.000 0.255 816 K C -1.247 175.499 176.600 0.244 0.000 0.934 816 K CA -0.601 55.859 56.287 0.289 0.000 0.810 816 K CB 2.211 34.956 32.500 0.409 0.000 1.315 816 K HN 0.938 nan 8.250 nan 0.000 0.433 817 A N 1.598 124.543 122.820 0.208 0.000 2.587 817 A HA 0.939 5.259 4.320 -0.000 0.000 0.293 817 A C -1.104 176.576 177.584 0.159 0.000 1.087 817 A CA -0.358 51.772 52.037 0.155 0.000 0.692 817 A CB 2.022 21.080 19.000 0.098 0.000 1.291 817 A HN 0.813 nan 8.150 nan 0.000 0.407 818 G N 0.187 109.074 108.800 0.145 0.000 2.579 818 G HA2 0.441 4.401 3.960 -0.000 0.000 0.292 818 G HA3 0.441 4.401 3.960 -0.000 0.000 0.292 818 G C -1.660 173.296 174.900 0.095 0.000 1.484 818 G CA -0.742 44.426 45.100 0.114 0.000 0.813 818 G HN 0.769 nan 8.290 nan 0.000 0.515 819 N N 0.754 119.496 118.700 0.070 0.000 2.405 819 N HA 0.112 4.852 4.740 -0.000 0.000 0.260 819 N C 1.596 177.122 175.510 0.026 0.000 1.152 819 N CA -0.573 52.503 53.050 0.044 0.000 0.948 819 N CB 0.731 39.256 38.487 0.063 0.000 1.111 819 N HN 0.578 nan 8.380 nan 0.000 0.485 820 I N 1.029 121.582 120.570 -0.027 0.000 3.578 820 I HA 0.049 4.219 4.170 -0.000 0.000 0.295 820 I C 0.294 176.515 176.117 0.173 0.000 1.280 820 I CA 0.275 61.545 61.300 -0.050 0.000 1.347 820 I CB -0.186 37.636 38.000 -0.296 0.000 1.051 820 I HN 0.227 nan 8.210 nan 0.000 0.460 821 Y N 1.926 122.334 120.300 0.181 0.000 2.519 821 Y HA -0.002 4.548 4.550 -0.000 0.000 0.287 821 Y C 2.990 178.954 175.900 0.106 0.000 1.128 821 Y CA 0.178 58.384 58.100 0.177 0.000 1.282 821 Y CB -0.946 37.612 38.460 0.164 0.000 1.027 821 Y HN 0.435 nan 8.280 nan 0.000 0.551 822 S N -0.604 115.233 115.700 0.228 0.000 2.399 822 S HA -0.142 4.328 4.470 -0.000 0.000 0.231 822 S C 1.685 176.350 174.600 0.108 0.000 1.022 822 S CA 1.542 59.829 58.200 0.145 0.000 0.983 822 S CB -1.029 62.233 63.200 0.103 0.000 0.803 822 S HN 0.484 nan 8.310 nan 0.000 0.480 823 T N -3.275 111.340 114.554 0.102 0.000 3.145 823 T HA 0.630 4.980 4.350 -0.000 0.000 0.255 823 T C 1.287 176.035 174.700 0.079 0.000 1.039 823 T CA 0.349 62.492 62.100 0.072 0.000 0.928 823 T CB 0.244 69.138 68.868 0.044 0.000 1.029 823 T HN 1.035 nan 8.240 nan 0.000 0.554 824 G N 0.742 109.607 108.800 0.108 0.000 2.284 824 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.201 824 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.201 824 G C -0.138 174.816 174.900 0.090 0.000 0.998 824 G CA -0.355 44.791 45.100 0.077 0.000 0.651 824 G HN 0.644 nan 8.290 nan 0.000 0.489 825 Y N 3.005 123.334 120.300 0.048 0.000 2.810 825 Y HA 0.443 4.993 4.550 -0.000 0.000 0.332 825 Y C 0.408 176.336 175.900 0.046 0.000 1.243 825 Y CA 0.416 58.550 58.100 0.055 0.000 1.537 825 Y CB 0.645 39.141 38.460 0.061 0.000 1.265 825 Y HN 0.153 nan 8.280 nan 0.000 0.572 826 E N 6.400 126.146 120.200 -0.756 0.000 2.175 826 E HA 0.160 4.510 4.350 -0.000 0.000 0.278 826 E C -1.264 174.740 176.600 -0.994 0.000 0.969 826 E CA -1.133 54.846 56.400 -0.702 0.000 0.796 826 E CB 1.340 30.806 29.700 -0.390 0.000 1.104 826 E HN 0.787 nan 8.360 nan 0.000 0.395 827 L N 4.269 125.141 121.223 -0.584 0.000 2.584 827 L HA 0.010 4.350 4.340 -0.000 0.000 0.272 827 L C -0.447 176.327 176.870 -0.160 0.000 1.195 827 L CA 0.989 55.715 54.840 -0.191 0.000 0.920 827 L CB 0.141 42.215 42.059 0.025 0.000 1.173 827 L HN 0.442 nan 8.230 nan 0.000 0.489 828 D N 2.528 122.895 120.400 -0.055 0.000 2.780 828 D HA 0.484 5.124 4.640 -0.000 0.000 0.242 828 D C 1.094 177.373 176.300 -0.034 0.000 1.135 828 D CA 0.103 54.086 54.000 -0.028 0.000 0.859 828 D CB 1.829 42.622 40.800 -0.012 0.000 1.530 828 D HN 0.579 nan 8.370 nan 0.000 0.493 829 G N 1.246 110.054 108.800 0.014 0.000 2.517 829 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.222 829 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.222 829 G C 1.509 176.408 174.900 -0.002 0.000 1.109 829 G CA 1.329 46.482 45.100 0.087 0.000 0.746 829 G HN 0.579 nan 8.290 nan 0.000 0.576 830 S N 1.015 116.684 115.700 -0.051 0.000 2.440 830 S HA 0.023 4.493 4.470 -0.000 0.000 0.240 830 S C 2.512 176.891 174.600 -0.369 0.000 1.014 830 S CA 1.543 59.659 58.200 -0.141 0.000 0.980 830 S CB -0.415 62.724 63.200 -0.103 0.000 0.775 830 S HN 0.717 nan 8.310 nan 0.000 0.499 831 A N 0.872 123.421 122.820 -0.451 0.000 1.933 831 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 831 A C 1.940 179.152 177.584 -0.619 0.000 1.175 831 A CA 1.377 52.876 52.037 -0.897 0.000 0.628 831 A CB -1.108 17.594 19.000 -0.497 0.000 0.814 831 A HN 0.733 nan 8.150 nan 0.000 0.444 832 Y N -0.629 119.622 120.300 -0.082 0.000 2.242 832 Y HA -0.142 4.408 4.550 -0.000 0.000 0.291 832 Y C 2.509 178.375 175.900 -0.056 0.000 1.137 832 Y CA 0.870 58.979 58.100 0.015 0.000 1.181 832 Y CB -0.402 38.097 38.460 0.065 0.000 0.989 832 Y HN 0.110 nan 8.280 nan 0.000 0.527 833 V N 0.367 120.288 119.914 0.012 0.000 2.307 833 V HA -0.290 3.830 4.120 -0.000 0.000 0.245 833 V C 2.057 178.084 176.094 -0.112 0.000 1.045 833 V CA 1.878 64.164 62.300 -0.023 0.000 1.024 833 V CB -0.546 31.249 31.823 -0.047 0.000 0.651 833 V HN 0.386 nan 8.190 nan 0.000 0.449 834 I N -0.209 120.118 120.570 -0.404 0.000 2.353 834 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 834 I C 2.535 178.582 176.117 -0.117 0.000 1.119 834 I CA 1.266 62.265 61.300 -0.502 0.000 1.417 834 I CB -0.401 37.001 38.000 -0.997 0.000 1.078 834 I HN 0.198 nan 8.210 nan 0.000 0.421 835 S N 0.567 116.194 115.700 -0.121 0.000 2.368 835 S HA -0.231 4.239 4.470 -0.000 0.000 0.225 835 S C 2.019 176.762 174.600 0.239 0.000 1.030 835 S CA 1.455 59.780 58.200 0.208 0.000 0.999 835 S CB -0.231 63.150 63.200 0.302 0.000 0.844 835 S HN 0.363 nan 8.310 nan 0.000 0.459 836 K N 0.372 120.887 120.400 0.191 0.000 2.057 836 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 836 K C 2.121 178.865 176.600 0.239 0.000 1.050 836 K CA 1.466 57.871 56.287 0.196 0.000 0.935 836 K CB -0.226 32.369 32.500 0.158 0.000 0.715 836 K HN 0.382 nan 8.250 nan 0.000 0.439 837 H N 0.643 119.818 119.070 0.175 0.000 2.319 837 H HA -0.104 4.452 4.556 -0.000 0.000 0.299 837 H C 1.828 177.361 175.328 0.342 0.000 1.092 837 H CA 2.433 58.634 56.048 0.256 0.000 1.302 837 H CB -0.145 29.802 29.762 0.309 0.000 1.373 837 H HN 0.182 nan 8.280 nan 0.000 0.497 838 I N -0.555 120.277 120.570 0.437 0.000 2.151 838 I HA -0.351 3.819 4.170 -0.000 0.000 0.243 838 I C 2.517 178.845 176.117 0.352 0.000 1.080 838 I CA 1.631 63.206 61.300 0.457 0.000 1.339 838 I CB -0.376 37.940 38.000 0.526 0.000 1.039 838 I HN 0.254 nan 8.210 nan 0.000 0.409 839 S N 0.466 116.354 115.700 0.314 0.000 2.368 839 S HA -0.163 4.307 4.470 -0.000 0.000 0.224 839 S C 1.573 176.349 174.600 0.293 0.000 1.029 839 S CA 1.654 60.042 58.200 0.314 0.000 0.988 839 S CB -0.510 62.871 63.200 0.300 0.000 0.838 839 S HN 0.520 nan 8.310 nan 0.000 0.462 840 N N 0.197 119.007 118.700 0.184 0.000 2.463 840 N HA -0.005 4.735 4.740 -0.000 0.000 0.181 840 N C 1.441 176.971 175.510 0.033 0.000 1.078 840 N CA 1.182 54.273 53.050 0.069 0.000 0.902 840 N CB 0.222 38.695 38.487 -0.023 0.000 0.970 840 N HN 0.544 nan 8.380 nan 0.000 0.451 841 T N -3.342 111.255 114.554 0.071 0.000 3.409 841 T HA -0.051 4.299 4.350 -0.000 0.000 0.188 841 T C 1.369 176.130 174.700 0.103 0.000 0.929 841 T CA -0.531 61.611 62.100 0.070 0.000 1.184 841 T CB -0.684 68.192 68.868 0.013 0.000 1.570 841 T HN 0.231 nan 8.240 nan 0.000 0.367 842 W N 2.102 123.184 121.300 -0.363 0.000 2.317 842 W HA -0.135 4.525 4.660 -0.000 0.000 0.318 842 W C 1.889 178.335 176.519 -0.121 0.000 1.227 842 W CA 1.408 58.418 57.345 -0.559 0.000 1.269 842 W CB -0.392 28.444 29.460 -1.039 0.000 1.155 842 W HN 0.289 nan 8.180 nan 0.000 0.484 843 L N -0.658 120.606 121.223 0.068 0.000 2.072 843 L HA -0.224 4.116 4.340 -0.000 0.000 0.205 843 L C 2.548 179.456 176.870 0.063 0.000 1.079 843 L CA 1.314 56.175 54.840 0.035 0.000 0.752 843 L CB -1.464 40.742 42.059 0.245 0.000 0.906 843 L HN 0.193 nan 8.230 nan 0.000 0.436 844 W N 2.257 123.561 121.300 0.007 0.000 2.317 844 W HA -0.262 4.398 4.660 -0.000 0.000 0.318 844 W C 2.016 178.515 176.519 -0.033 0.000 1.227 844 W CA 2.207 59.563 57.345 0.018 0.000 1.269 844 W CB -0.194 29.297 29.460 0.052 0.000 1.155 844 W HN 0.293 nan 8.180 nan 0.000 0.484 845 D N -0.343 120.179 120.400 0.202 0.000 2.097 845 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 845 D C 2.242 178.467 176.300 -0.125 0.000 0.984 845 D CA 1.414 55.464 54.000 0.083 0.000 0.826 845 D CB -0.359 40.501 40.800 0.100 0.000 0.973 845 D HN 0.132 nan 8.370 nan 0.000 0.460 846 R N 0.299 120.621 120.500 -0.297 0.000 2.090 846 R HA 0.096 4.436 4.340 -0.000 0.000 0.219 846 R C 2.429 178.545 176.300 -0.305 0.000 1.100 846 R CA 0.304 56.164 56.100 -0.400 0.000 0.991 846 R CB -0.865 28.959 30.300 -0.793 0.000 0.893 846 R HN 0.161 nan 8.270 nan 0.000 0.443 847 V N 1.327 121.079 119.914 -0.270 0.000 2.379 847 V HA -0.052 4.068 4.120 -0.000 0.000 0.243 847 V C 2.610 178.589 176.094 -0.192 0.000 1.035 847 V CA 1.631 63.813 62.300 -0.197 0.000 1.035 847 V CB -0.486 31.280 31.823 -0.094 0.000 0.673 847 V HN 0.220 nan 8.190 nan 0.000 0.457 848 R N 0.159 120.505 120.500 -0.256 0.000 2.052 848 R HA -0.065 4.275 4.340 -0.000 0.000 0.224 848 R C 2.249 178.370 176.300 -0.298 0.000 1.165 848 R CA 1.691 57.582 56.100 -0.347 0.000 0.939 848 R CB -0.438 29.458 30.300 -0.674 0.000 0.834 848 R HN 0.269 nan 8.270 nan 0.000 0.435 849 V N 0.377 120.104 119.914 -0.310 0.000 2.244 849 V HA -0.196 3.924 4.120 -0.000 0.000 0.244 849 V C 2.435 178.461 176.094 -0.112 0.000 1.042 849 V CA 2.173 64.370 62.300 -0.172 0.000 1.006 849 V CB -0.514 31.276 31.823 -0.055 0.000 0.641 849 V HN 0.537 nan 8.190 nan 0.000 0.446 850 S N 0.210 115.844 115.700 -0.110 0.000 2.395 850 S HA -0.023 4.447 4.470 -0.000 0.000 0.225 850 S C 1.933 176.475 174.600 -0.097 0.000 1.027 850 S CA 1.400 59.547 58.200 -0.089 0.000 0.965 850 S CB -0.339 62.804 63.200 -0.095 0.000 0.812 850 S HN 0.612 nan 8.310 nan 0.000 0.482 851 G N -0.779 107.941 108.800 -0.133 0.000 2.623 851 G HA2 0.364 4.324 3.960 -0.000 0.000 0.214 851 G HA3 0.364 4.324 3.960 -0.000 0.000 0.214 851 G C 1.138 175.973 174.900 -0.108 0.000 1.138 851 G CA 0.458 45.481 45.100 -0.129 0.000 0.794 851 G HN 1.245 nan 8.290 nan 0.000 0.535 852 G N -0.922 107.812 108.800 -0.110 0.000 2.195 852 G HA2 0.086 4.046 3.960 -0.000 0.000 0.246 852 G HA3 0.086 4.046 3.960 -0.000 0.000 0.246 852 G C 0.682 175.527 174.900 -0.092 0.000 0.984 852 G CA 0.474 45.519 45.100 -0.092 0.000 0.633 852 G HN 1.391 nan 8.290 nan 0.000 0.525 853 A N -0.464 122.291 122.820 -0.108 0.000 2.466 853 A HA 0.536 4.856 4.320 -0.000 0.000 0.238 853 A C 0.868 178.425 177.584 -0.045 0.000 1.074 853 A CA 1.008 52.991 52.037 -0.091 0.000 0.774 853 A CB 0.188 19.132 19.000 -0.094 0.000 1.015 853 A HN 1.148 nan 8.150 nan 0.000 0.498 854 Y N 1.233 121.442 120.300 -0.152 0.000 2.293 854 Y HA 0.206 4.756 4.550 -0.000 0.000 0.291 854 Y C 1.140 177.024 175.900 -0.026 0.000 1.137 854 Y CA 0.896 58.942 58.100 -0.090 0.000 1.202 854 Y CB 0.122 38.536 38.460 -0.076 0.000 0.990 854 Y HN 0.764 nan 8.280 nan 0.000 0.537 855 G N -0.848 107.942 108.800 -0.017 0.000 2.742 855 G HA2 0.477 4.437 3.960 -0.000 0.000 0.296 855 G HA3 0.477 4.437 3.960 -0.000 0.000 0.296 855 G C -1.599 173.376 174.900 0.126 0.000 1.436 855 G CA -0.192 44.903 45.100 -0.008 0.000 0.928 855 G HN 0.318 nan 8.290 nan 0.000 0.520 856 G N -0.199 108.701 108.800 0.168 0.000 2.732 856 G HA2 0.851 4.811 3.960 -0.000 0.000 0.295 856 G HA3 0.851 4.811 3.960 -0.000 0.000 0.295 856 G C -0.970 174.134 174.900 0.340 0.000 1.456 856 G CA -0.591 44.614 45.100 0.176 0.000 1.050 856 G HN 1.383 nan 8.290 nan 0.000 0.525 857 F N -0.010 120.030 119.950 0.149 0.000 2.711 857 F HA 0.763 5.290 4.527 -0.000 0.000 0.313 857 F C -0.151 175.687 175.800 0.062 0.000 1.141 857 F CA -1.792 56.285 58.000 0.129 0.000 0.941 857 F CB 0.806 39.866 39.000 0.101 0.000 1.349 857 F HN 0.723 nan 8.300 nan 0.000 0.464 858 C N 0.085 119.481 119.300 0.161 0.000 2.562 858 C HA 0.882 5.342 4.460 -0.000 0.000 0.332 858 C C -1.129 173.805 174.990 -0.092 0.000 1.201 858 C CA -0.449 58.448 59.018 -0.202 0.000 1.803 858 C CB 1.130 28.639 27.740 -0.385 0.000 2.328 858 C HN 0.997 nan 8.230 nan 0.000 0.500 859 D N 0.234 120.427 120.400 -0.344 0.000 2.757 859 D HA 0.577 5.217 4.640 -0.000 0.000 0.249 859 D C -1.664 174.529 176.300 -0.178 0.000 1.168 859 D CA -0.166 53.771 54.000 -0.105 0.000 0.870 859 D CB 1.346 42.155 40.800 0.015 0.000 1.411 859 D HN 0.569 nan 8.370 nan 0.000 0.525 860 F N 3.638 123.519 119.950 -0.115 0.000 2.427 860 F HA 0.359 4.886 4.527 -0.000 0.000 0.348 860 F C -0.892 174.968 175.800 0.099 0.000 1.125 860 F CA -1.351 56.667 58.000 0.029 0.000 0.989 860 F CB 1.402 40.560 39.000 0.262 0.000 1.165 860 F HN 0.210 nan 8.300 nan 0.000 0.442 861 D N 3.606 123.853 120.400 -0.255 0.000 2.441 861 D HA 0.095 4.735 4.640 -0.000 0.000 0.221 861 D C 0.997 176.864 176.300 -0.722 0.000 1.156 861 D CA 0.163 53.969 54.000 -0.323 0.000 0.896 861 D CB 1.077 41.828 40.800 -0.081 0.000 1.028 861 D HN 0.564 nan 8.370 nan 0.000 0.509 862 S N 3.119 118.255 115.700 -0.940 0.000 2.507 862 S HA -0.151 4.319 4.470 -0.000 0.000 0.235 862 S C 1.471 175.893 174.600 -0.295 0.000 0.988 862 S CA 0.567 58.279 58.200 -0.813 0.000 0.944 862 S CB -0.335 62.630 63.200 -0.391 0.000 0.762 862 S HN 0.547 nan 8.310 nan 0.000 0.526 863 H N 2.051 121.085 119.070 -0.060 0.000 2.395 863 H HA 0.072 4.628 4.556 -0.000 0.000 0.299 863 H C 2.535 177.915 175.328 0.087 0.000 1.070 863 H CA 1.709 57.783 56.048 0.043 0.000 1.356 863 H CB -0.289 29.479 29.762 0.010 0.000 1.401 863 H HN 0.725 nan 8.280 nan 0.000 0.524 864 S N -1.486 114.280 115.700 0.109 0.000 2.502 864 S HA 0.258 4.728 4.470 -0.000 0.000 0.215 864 S C 1.806 176.396 174.600 -0.017 0.000 1.009 864 S CA 0.540 58.793 58.200 0.088 0.000 0.908 864 S CB 0.908 64.146 63.200 0.063 0.000 0.801 864 S HN 0.564 nan 8.310 nan 0.000 0.505 865 G N 0.796 109.433 108.800 -0.272 0.000 2.175 865 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.244 865 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.244 865 G C 0.030 174.844 174.900 -0.145 0.000 0.982 865 G CA -0.032 44.637 45.100 -0.718 0.000 0.641 865 G HN 0.667 nan 8.290 nan 0.000 0.527 866 V N 1.496 121.402 119.914 -0.013 0.000 2.439 866 V HA 0.521 4.641 4.120 -0.000 0.000 0.271 866 V C 0.213 176.450 176.094 0.239 0.000 1.040 866 V CA -0.119 62.236 62.300 0.093 0.000 1.002 866 V CB 0.898 32.756 31.823 0.058 0.000 1.000 866 V HN 0.329 nan 8.190 nan 0.000 0.477 867 F N 4.814 124.817 119.950 0.089 0.000 2.415 867 F HA 0.610 5.137 4.527 -0.000 0.000 0.348 867 F C 0.465 176.214 175.800 -0.085 0.000 1.119 867 F CA 0.116 58.142 58.000 0.042 0.000 1.069 867 F CB 1.324 40.231 39.000 -0.154 0.000 1.124 867 F HN 0.479 nan 8.300 nan 0.000 0.472 868 S N 4.570 119.946 115.700 -0.539 0.000 2.542 868 S HA 0.577 5.047 4.470 -0.000 0.000 0.293 868 S C -1.660 172.532 174.600 -0.682 0.000 1.089 868 S CA -0.558 57.412 58.200 -0.384 0.000 0.961 868 S CB 1.388 64.486 63.200 -0.171 0.000 1.062 868 S HN 0.504 nan 8.310 nan 0.000 0.483 869 Y N 1.041 121.083 120.300 -0.430 0.000 2.393 869 Y HA 0.717 5.267 4.550 -0.000 0.000 0.341 869 Y C -0.308 175.237 175.900 -0.592 0.000 0.988 869 Y CA -0.864 56.815 58.100 -0.702 0.000 1.078 869 Y CB 1.132 38.727 38.460 -1.442 0.000 1.203 869 Y HN 0.396 nan 8.280 nan 0.000 0.453 870 L N 2.751 123.704 121.223 -0.450 0.000 2.445 870 L HA 0.657 4.997 4.340 -0.000 0.000 0.262 870 L C -0.611 176.087 176.870 -0.286 0.000 0.974 870 L CA -0.737 53.901 54.840 -0.337 0.000 0.822 870 L CB 2.475 44.227 42.059 -0.512 0.000 1.339 870 L HN 0.691 nan 8.230 nan 0.000 0.409 871 S N 0.726 116.466 115.700 0.068 0.000 2.607 871 S HA 0.734 5.204 4.470 -0.000 0.000 0.303 871 S C -1.346 173.376 174.600 0.202 0.000 1.086 871 S CA -0.678 57.584 58.200 0.103 0.000 0.995 871 S CB 2.136 65.403 63.200 0.111 0.000 1.084 871 S HN 0.491 nan 8.310 nan 0.000 0.507 872 Y N 1.301 121.592 120.300 -0.015 0.000 2.346 872 Y HA 0.513 5.063 4.550 -0.000 0.000 0.332 872 Y C -0.059 175.751 175.900 -0.151 0.000 0.985 872 Y CA -0.686 57.386 58.100 -0.047 0.000 1.112 872 Y CB 1.212 39.661 38.460 -0.019 0.000 1.170 872 Y HN 1.001 nan 8.280 nan 0.000 0.447 873 R N 3.229 123.214 120.500 -0.858 0.000 3.152 873 R HA -0.209 4.131 4.340 -0.000 0.000 0.252 873 R C -1.526 174.551 176.300 -0.372 0.000 0.930 873 R CA 1.109 56.793 56.100 -0.693 0.000 0.642 873 R CB -1.076 28.893 30.300 -0.553 0.000 1.205 873 R HN 0.644 nan 8.270 nan 0.000 0.452 874 D N 0.693 120.870 120.400 -0.371 0.000 2.303 874 D HA 0.220 4.860 4.640 -0.000 0.000 0.236 874 D C -1.310 174.888 176.300 -0.169 0.000 1.068 874 D CA -2.534 51.343 54.000 -0.205 0.000 0.830 874 D CB 1.358 42.066 40.800 -0.154 0.000 1.109 874 D HN -0.003 nan 8.370 nan 0.000 0.496 875 P HA -0.017 nan 4.420 nan 0.000 0.233 875 P C -0.153 177.105 177.300 -0.071 0.000 1.167 875 P CA 0.318 63.368 63.100 -0.083 0.000 0.770 875 P CB 0.562 32.231 31.700 -0.052 0.000 0.837 876 N N -0.562 118.088 118.700 -0.083 0.000 2.563 876 N HA 0.297 5.037 4.740 -0.000 0.000 0.288 876 N C 0.440 175.913 175.510 -0.061 0.000 1.246 876 N CA -0.516 52.489 53.050 -0.075 0.000 0.946 876 N CB 1.139 39.568 38.487 -0.098 0.000 1.213 876 N HN -0.101 nan 8.380 nan 0.000 0.578 877 L N -0.432 120.764 121.223 -0.045 0.000 3.485 877 L HA 0.358 4.698 4.340 -0.000 0.000 0.175 877 L C 1.401 178.270 176.870 -0.002 0.000 1.195 877 L CA 0.502 55.346 54.840 0.006 0.000 0.874 877 L CB -1.100 40.993 42.059 0.057 0.000 1.680 877 L HN 0.461 nan 8.230 nan 0.000 0.599 878 L N 0.562 121.781 121.223 -0.007 0.000 2.141 878 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 878 L C 2.317 179.099 176.870 -0.146 0.000 1.094 878 L CA 1.150 55.934 54.840 -0.092 0.000 0.763 878 L CB -0.474 41.500 42.059 -0.141 0.000 0.908 878 L HN 0.341 nan 8.230 nan 0.000 0.437 879 K N -0.439 119.882 120.400 -0.132 0.000 2.097 879 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 879 K C 2.069 178.533 176.600 -0.227 0.000 1.049 879 K CA 1.712 57.908 56.287 -0.152 0.000 0.933 879 K CB -0.244 32.181 32.500 -0.126 0.000 0.717 879 K HN 0.292 nan 8.250 nan 0.000 0.442 880 T N 1.963 116.353 114.554 -0.273 0.000 2.746 880 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 880 T C 1.847 176.071 174.700 -0.793 0.000 1.039 880 T CA 0.978 62.786 62.100 -0.487 0.000 1.142 880 T CB -0.120 68.505 68.868 -0.405 0.000 0.866 880 T HN 0.119 nan 8.240 nan 0.000 0.444 881 L N 0.841 121.775 121.223 -0.481 0.000 2.141 881 L HA -0.082 4.258 4.340 -0.000 0.000 0.209 881 L C 2.368 179.121 176.870 -0.195 0.000 1.094 881 L CA 0.934 55.584 54.840 -0.317 0.000 0.763 881 L CB -0.554 41.471 42.059 -0.056 0.000 0.908 881 L HN 0.143 nan 8.230 nan 0.000 0.437 882 D N 0.428 120.718 120.400 -0.183 0.000 2.117 882 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 882 D C 2.297 178.582 176.300 -0.025 0.000 0.982 882 D CA 1.225 55.174 54.000 -0.086 0.000 0.828 882 D CB -0.095 40.655 40.800 -0.084 0.000 0.967 882 D HN 0.288 nan 8.370 nan 0.000 0.464 883 I N 0.457 120.954 120.570 -0.122 0.000 2.163 883 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 883 I C 2.191 178.445 176.117 0.228 0.000 1.085 883 I CA 1.001 62.282 61.300 -0.032 0.000 1.347 883 I CB -0.289 37.523 38.000 -0.315 0.000 1.044 883 I HN 0.007 nan 8.210 nan 0.000 0.408 884 Y N 0.896 121.130 120.300 -0.110 0.000 2.165 884 Y HA -0.264 4.286 4.550 -0.000 0.000 0.286 884 Y C 2.400 178.132 175.900 -0.280 0.000 1.155 884 Y CA 0.832 58.642 58.100 -0.482 0.000 1.164 884 Y CB -1.180 36.831 38.460 -0.748 0.000 0.978 884 Y HN 0.249 nan 8.280 nan 0.000 0.513 885 D N -0.951 119.501 120.400 0.087 0.000 2.178 885 D HA -0.070 4.570 4.640 -0.000 0.000 0.202 885 D C 2.272 178.644 176.300 0.120 0.000 0.974 885 D CA 1.330 55.386 54.000 0.093 0.000 0.841 885 D CB -0.543 40.299 40.800 0.071 0.000 0.953 885 D HN 0.386 nan 8.370 nan 0.000 0.478 886 G N -0.382 108.545 108.800 0.212 0.000 3.088 886 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.212 886 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.212 886 G C 1.438 176.293 174.900 -0.076 0.000 1.173 886 G CA 0.332 45.534 45.100 0.170 0.000 0.779 886 G HN 0.149 nan 8.290 nan 0.000 0.540 887 T N 0.773 115.343 114.554 0.027 0.000 2.737 887 T HA -0.063 4.287 4.350 -0.000 0.000 0.265 887 T C 2.576 177.234 174.700 -0.070 0.000 1.038 887 T CA 1.360 63.377 62.100 -0.138 0.000 1.144 887 T CB -0.363 68.705 68.868 0.333 0.000 0.866 887 T HN 0.310 nan 8.240 nan 0.000 0.434 888 G N 1.919 110.707 108.800 -0.019 0.000 2.459 888 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 888 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 888 G C 1.297 176.151 174.900 -0.076 0.000 1.183 888 G CA 1.145 46.216 45.100 -0.048 0.000 0.776 888 G HN 0.379 nan 8.290 nan 0.000 0.552 889 D N 0.036 120.384 120.400 -0.086 0.000 2.123 889 D HA -0.136 4.504 4.640 -0.000 0.000 0.196 889 D C 1.952 178.164 176.300 -0.146 0.000 0.992 889 D CA 0.730 54.673 54.000 -0.094 0.000 0.833 889 D CB -0.495 40.269 40.800 -0.061 0.000 0.954 889 D HN 0.373 nan 8.370 nan 0.000 0.455 890 F N 1.261 120.950 119.950 -0.436 0.000 2.091 890 F HA -0.217 4.310 4.527 -0.000 0.000 0.299 890 F C 2.043 177.729 175.800 -0.190 0.000 1.103 890 F CA 1.379 59.078 58.000 -0.502 0.000 1.228 890 F CB -0.231 38.084 39.000 -1.142 0.000 0.984 890 F HN -0.095 nan 8.300 nan 0.000 0.477 891 L N 0.007 120.997 121.223 -0.387 0.000 2.093 891 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 891 L C 2.632 179.387 176.870 -0.191 0.000 1.085 891 L CA 1.176 55.837 54.840 -0.297 0.000 0.755 891 L CB -0.596 41.466 42.059 0.005 0.000 0.904 891 L HN 0.072 nan 8.230 nan 0.000 0.435 892 R N -0.206 120.208 120.500 -0.143 0.000 2.148 892 R HA -0.051 4.289 4.340 -0.000 0.000 0.223 892 R C 2.213 178.441 176.300 -0.120 0.000 1.088 892 R CA 0.986 57.026 56.100 -0.099 0.000 0.985 892 R CB -0.395 29.864 30.300 -0.069 0.000 0.880 892 R HN 0.381 nan 8.270 nan 0.000 0.451 893 G N 0.601 109.305 108.800 -0.161 0.000 2.650 893 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.214 893 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.214 893 G C 0.558 175.361 174.900 -0.162 0.000 1.136 893 G CA -0.126 44.894 45.100 -0.133 0.000 0.789 893 G HN 0.064 nan 8.290 nan 0.000 0.536 894 L N 1.322 122.395 121.223 -0.251 0.000 2.367 894 L HA 0.189 4.529 4.340 -0.000 0.000 0.275 894 L C -0.403 176.347 176.870 -0.200 0.000 1.129 894 L CA -0.497 54.189 54.840 -0.256 0.000 0.839 894 L CB 1.199 43.040 42.059 -0.364 0.000 1.133 894 L HN 0.018 nan 8.230 nan 0.000 0.453 895 D N 3.452 123.759 120.400 -0.155 0.000 2.485 895 D HA 0.201 4.841 4.640 -0.000 0.000 0.221 895 D C -0.525 175.667 176.300 -0.181 0.000 1.112 895 D CA -0.426 53.489 54.000 -0.142 0.000 0.911 895 D CB 0.878 41.628 40.800 -0.083 0.000 1.019 895 D HN 0.090 nan 8.370 nan 0.000 0.516 896 V N 5.425 125.167 119.914 -0.287 0.000 2.352 896 V HA 0.132 4.251 4.120 -0.000 0.000 0.253 896 V C 0.748 176.704 176.094 -0.230 0.000 1.083 896 V CA -0.746 61.333 62.300 -0.369 0.000 0.993 896 V CB -0.150 31.216 31.823 -0.761 0.000 1.111 896 V HN 0.531 nan 8.190 nan 0.000 0.490 897 D N 3.460 123.774 120.400 -0.143 0.000 2.371 897 D HA -0.004 4.636 4.640 -0.000 0.000 0.242 897 D C 0.972 177.226 176.300 -0.076 0.000 1.218 897 D CA -0.577 53.371 54.000 -0.086 0.000 0.945 897 D CB 1.348 42.120 40.800 -0.047 0.000 1.137 897 D HN 0.295 nan 8.370 nan 0.000 0.464 898 Q N 0.091 119.864 119.800 -0.044 0.000 2.181 898 Q HA -0.201 4.139 4.340 -0.000 0.000 0.205 898 Q C 1.724 177.720 176.000 -0.008 0.000 0.980 898 Q CA 1.795 57.583 55.803 -0.025 0.000 0.862 898 Q CB -0.091 28.640 28.738 -0.011 0.000 0.905 898 Q HN 0.600 nan 8.270 nan 0.000 0.429 899 E N -1.234 118.965 120.200 -0.001 0.000 2.031 899 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 899 E C 1.948 178.563 176.600 0.026 0.000 0.994 899 E CA 1.687 58.098 56.400 0.018 0.000 0.800 899 E CB -0.116 29.599 29.700 0.025 0.000 0.752 899 E HN 0.365 nan 8.360 nan 0.000 0.447 900 T N 1.816 116.378 114.554 0.013 0.000 2.708 900 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 900 T C 1.952 176.661 174.700 0.014 0.000 1.037 900 T CA 0.879 62.996 62.100 0.029 0.000 1.146 900 T CB -0.258 68.609 68.868 -0.001 0.000 0.865 900 T HN 0.096 nan 8.240 nan 0.000 0.435 901 L N 0.461 121.660 121.223 -0.039 0.000 2.017 901 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 901 L C 2.630 179.528 176.870 0.046 0.000 1.073 901 L CA 1.414 56.246 54.840 -0.013 0.000 0.745 901 L CB -0.631 41.397 42.059 -0.051 0.000 0.894 901 L HN 0.243 nan 8.230 nan 0.000 0.432 902 T N -0.360 114.215 114.554 0.036 0.000 2.708 902 T HA -0.221 4.129 4.350 -0.000 0.000 0.266 902 T C 1.859 176.594 174.700 0.059 0.000 1.037 902 T CA 1.603 63.730 62.100 0.046 0.000 1.146 902 T CB -0.116 68.773 68.868 0.036 0.000 0.865 902 T HN 0.286 nan 8.240 nan 0.000 0.435 903 K N 0.937 121.376 120.400 0.065 0.000 2.044 903 K HA -0.080 4.240 4.320 -0.000 0.000 0.210 903 K C 2.617 179.277 176.600 0.100 0.000 1.049 903 K CA 1.392 57.726 56.287 0.078 0.000 0.927 903 K CB -0.327 32.224 32.500 0.085 0.000 0.713 903 K HN 0.295 nan 8.250 nan 0.000 0.443 904 A N 1.134 124.033 122.820 0.131 0.000 1.930 904 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 904 A C 2.069 179.728 177.584 0.124 0.000 1.175 904 A CA 1.189 53.329 52.037 0.172 0.000 0.627 904 A CB -0.493 18.643 19.000 0.227 0.000 0.815 904 A HN 0.194 nan 8.150 nan 0.000 0.443 905 I N -0.357 120.273 120.570 0.099 0.000 2.179 905 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 905 I C 2.296 178.450 176.117 0.063 0.000 1.088 905 I CA 1.271 62.618 61.300 0.078 0.000 1.357 905 I CB -0.297 37.744 38.000 0.068 0.000 1.051 905 I HN 0.307 nan 8.210 nan 0.000 0.409 906 I N 0.644 121.248 120.570 0.058 0.000 2.163 906 I HA -0.241 3.929 4.170 -0.000 0.000 0.243 906 I C 2.689 178.824 176.117 0.030 0.000 1.085 906 I CA 1.713 63.039 61.300 0.042 0.000 1.347 906 I CB -0.985 37.041 38.000 0.043 0.000 1.044 906 I HN 0.281 nan 8.210 nan 0.000 0.408 907 G N 0.144 108.970 108.800 0.043 0.000 2.442 907 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 907 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 907 G C 1.647 176.558 174.900 0.017 0.000 1.141 907 G CA 1.522 46.640 45.100 0.029 0.000 0.763 907 G HN 0.302 nan 8.290 nan 0.000 0.554 908 T N 1.556 116.137 114.554 0.045 0.000 2.777 908 T HA -0.036 4.314 4.350 -0.000 0.000 0.266 908 T C 2.370 177.078 174.700 0.013 0.000 1.040 908 T CA 0.742 62.868 62.100 0.044 0.000 1.141 908 T CB -0.071 68.845 68.868 0.081 0.000 0.868 908 T HN 0.083 nan 8.240 nan 0.000 0.444 909 I N 1.816 122.396 120.570 0.017 0.000 2.208 909 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 909 I C 2.886 178.991 176.117 -0.020 0.000 1.097 909 I CA 1.410 62.713 61.300 0.005 0.000 1.363 909 I CB -1.862 36.149 38.000 0.018 0.000 1.051 909 I HN 0.307 nan 8.210 nan 0.000 0.413 910 G N 0.917 109.692 108.800 -0.041 0.000 2.513 910 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.219 910 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.219 910 G C 1.333 176.169 174.900 -0.106 0.000 1.160 910 G CA 1.165 46.207 45.100 -0.098 0.000 0.767 910 G HN 0.313 nan 8.290 nan 0.000 0.571 911 D N 0.059 120.407 120.400 -0.086 0.000 2.084 911 D HA -0.094 4.546 4.640 -0.000 0.000 0.194 911 D C 2.838 179.104 176.300 -0.057 0.000 0.990 911 D CA 1.179 55.139 54.000 -0.067 0.000 0.826 911 D CB -0.676 40.098 40.800 -0.043 0.000 0.971 911 D HN 0.215 nan 8.370 nan 0.000 0.453 912 V N 0.946 120.825 119.914 -0.058 0.000 2.407 912 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 912 V C 1.186 177.258 176.094 -0.036 0.000 1.055 912 V CA 1.596 63.858 62.300 -0.063 0.000 1.049 912 V CB -0.350 31.432 31.823 -0.068 0.000 0.662 912 V HN 0.028 nan 8.190 nan 0.000 0.455 913 D N 0.122 120.509 120.400 -0.022 0.000 2.342 913 D HA 0.089 4.729 4.640 -0.000 0.000 0.221 913 D C 1.066 177.372 176.300 0.011 0.000 1.101 913 D CA 0.261 54.260 54.000 -0.001 0.000 0.837 913 D CB -0.088 40.718 40.800 0.010 0.000 0.938 913 D HN 0.554 nan 8.370 nan 0.000 0.508 914 S N 0.287 115.986 115.700 -0.002 0.000 2.558 914 S HA -0.123 4.347 4.470 -0.000 0.000 0.293 914 S C 0.257 174.899 174.600 0.071 0.000 1.292 914 S CA -0.666 57.552 58.200 0.030 0.000 1.063 914 S CB 0.231 63.439 63.200 0.013 0.000 0.831 914 S HN 0.229 nan 8.310 nan 0.000 0.499 915 Y N 2.966 123.265 120.300 -0.001 0.000 2.712 915 Y HA 0.174 4.723 4.550 -0.000 0.000 0.333 915 Y C 0.522 176.429 175.900 0.012 0.000 1.225 915 Y CA 0.656 58.763 58.100 0.011 0.000 1.499 915 Y CB 0.357 38.830 38.460 0.022 0.000 1.288 915 Y HN 0.746 nan 8.280 nan 0.000 0.575 916 Q N 5.855 125.287 119.800 -0.613 0.000 2.331 916 Q HA 0.417 4.757 4.340 -0.000 0.000 0.272 916 Q C -1.155 174.485 176.000 -0.601 0.000 1.062 916 Q CA -0.993 54.554 55.803 -0.428 0.000 0.806 916 Q CB 2.414 31.009 28.738 -0.239 0.000 1.312 916 Q HN 0.688 nan 8.270 nan 0.000 0.431 917 L N 2.973 123.992 121.223 -0.341 0.000 2.473 917 L HA 0.109 4.449 4.340 -0.000 0.000 0.268 917 L C -1.186 175.550 176.870 -0.223 0.000 1.215 917 L CA -1.335 53.372 54.840 -0.222 0.000 0.823 917 L CB 0.031 42.034 42.059 -0.093 0.000 1.099 917 L HN 0.488 nan 8.230 nan 0.000 0.483 918 P HA -0.222 nan 4.420 nan 0.000 0.216 918 P C 0.836 177.968 177.300 -0.281 0.000 1.153 918 P CA 1.607 64.614 63.100 -0.155 0.000 0.858 918 P CB -0.130 31.545 31.700 -0.041 0.000 0.789 919 D N 0.449 120.525 120.400 -0.540 0.000 2.117 919 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 919 D C 1.844 177.929 176.300 -0.359 0.000 0.987 919 D CA 1.683 55.230 54.000 -0.755 0.000 0.829 919 D CB -1.038 38.908 40.800 -1.424 0.000 0.961 919 D HN 0.167 nan 8.370 nan 0.000 0.460 920 A N 0.916 123.572 122.820 -0.274 0.000 1.968 920 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 920 A C 2.242 179.757 177.584 -0.115 0.000 1.169 920 A CA 1.144 53.097 52.037 -0.141 0.000 0.638 920 A CB -0.400 18.522 19.000 -0.130 0.000 0.812 920 A HN 0.159 nan 8.150 nan 0.000 0.446 921 K N -0.617 119.675 120.400 -0.180 0.000 2.032 921 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 921 K C 2.129 178.560 176.600 -0.281 0.000 1.048 921 K CA 1.289 57.459 56.287 -0.195 0.000 0.927 921 K CB -0.492 31.892 32.500 -0.193 0.000 0.712 921 K HN 0.459 nan 8.250 nan 0.000 0.441 922 G N 0.153 108.742 108.800 -0.353 0.000 2.422 922 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 922 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 922 G C 1.390 176.041 174.900 -0.415 0.000 1.146 922 G CA 0.658 45.355 45.100 -0.673 0.000 0.769 922 G HN 0.275 nan 8.290 nan 0.000 0.547 923 Y N 1.881 122.012 120.300 -0.281 0.000 2.184 923 Y HA -0.054 4.496 4.550 -0.000 0.000 0.290 923 Y C 3.131 178.954 175.900 -0.129 0.000 1.129 923 Y CA 1.588 59.594 58.100 -0.157 0.000 1.144 923 Y CB -0.191 38.199 38.460 -0.116 0.000 0.995 923 Y HN 0.217 nan 8.280 nan 0.000 0.513 924 S N -0.944 114.710 115.700 -0.077 0.000 2.370 924 S HA -0.250 4.220 4.470 -0.000 0.000 0.226 924 S C 2.253 176.765 174.600 -0.147 0.000 1.033 924 S CA 1.487 59.622 58.200 -0.109 0.000 1.011 924 S CB -0.701 62.458 63.200 -0.068 0.000 0.852 924 S HN 0.556 nan 8.310 nan 0.000 0.457 925 S N 0.935 116.525 115.700 -0.184 0.000 2.383 925 S HA -0.032 4.438 4.470 -0.000 0.000 0.227 925 S C 1.824 176.399 174.600 -0.041 0.000 1.026 925 S CA 0.829 58.963 58.200 -0.110 0.000 0.981 925 S CB -0.394 62.722 63.200 -0.140 0.000 0.818 925 S HN 0.367 nan 8.310 nan 0.000 0.472 926 L N 1.898 123.049 121.223 -0.120 0.000 1.994 926 L HA 0.025 4.365 4.340 -0.000 0.000 0.208 926 L C 2.155 178.958 176.870 -0.113 0.000 1.071 926 L CA 1.846 56.631 54.840 -0.091 0.000 0.745 926 L CB -0.845 41.102 42.059 -0.187 0.000 0.892 926 L HN 0.385 nan 8.230 nan 0.000 0.431 927 L N -0.680 120.387 121.223 -0.261 0.000 2.043 927 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 927 L C 2.836 179.641 176.870 -0.107 0.000 1.075 927 L CA 1.615 56.324 54.840 -0.219 0.000 0.752 927 L CB -0.596 41.303 42.059 -0.268 0.000 0.891 927 L HN 0.309 nan 8.230 nan 0.000 0.432 928 R N -1.137 119.327 120.500 -0.059 0.000 2.105 928 R HA -0.223 4.117 4.340 -0.000 0.000 0.239 928 R C 2.265 178.570 176.300 0.007 0.000 1.135 928 R CA 1.634 57.728 56.100 -0.010 0.000 0.967 928 R CB -0.547 29.760 30.300 0.012 0.000 0.861 928 R HN 0.416 nan 8.270 nan 0.000 0.442 929 H N 0.958 119.998 119.070 -0.049 0.000 2.321 929 H HA -0.044 4.512 4.556 -0.000 0.000 0.300 929 H C 1.913 177.213 175.328 -0.047 0.000 1.087 929 H CA 1.676 57.703 56.048 -0.035 0.000 1.319 929 H CB -0.159 29.587 29.762 -0.027 0.000 1.379 929 H HN 0.045 nan 8.280 nan 0.000 0.501 930 L N -0.021 121.191 121.223 -0.018 0.000 2.191 930 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 930 L C 1.521 178.316 176.870 -0.125 0.000 1.103 930 L CA 0.817 55.613 54.840 -0.074 0.000 0.769 930 L CB -0.171 41.855 42.059 -0.056 0.000 0.908 930 L HN 0.348 nan 8.230 nan 0.000 0.438 931 L N -0.574 120.570 121.223 -0.132 0.000 2.700 931 L HA 0.297 4.637 4.340 -0.000 0.000 0.234 931 L C 1.294 178.126 176.870 -0.063 0.000 1.156 931 L CA 0.182 54.941 54.840 -0.135 0.000 0.946 931 L CB -0.178 41.719 42.059 -0.270 0.000 1.216 931 L HN 0.363 nan 8.230 nan 0.000 0.493 932 G N 1.054 109.792 108.800 -0.104 0.000 2.225 932 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.267 932 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.267 932 G C 0.178 175.065 174.900 -0.021 0.000 1.024 932 G CA 0.154 45.202 45.100 -0.087 0.000 0.784 932 G HN 0.167 nan 8.290 nan 0.000 0.507 933 V N 2.200 122.119 119.914 0.007 0.000 2.372 933 V HA 0.472 4.592 4.120 -0.000 0.000 0.261 933 V C 1.277 177.388 176.094 0.029 0.000 1.055 933 V CA 0.222 62.548 62.300 0.043 0.000 0.930 933 V CB 0.438 32.309 31.823 0.079 0.000 1.031 933 V HN 0.671 nan 8.190 nan 0.000 0.479 934 T N 0.617 115.187 114.554 0.028 0.000 2.816 934 T HA 0.207 4.557 4.350 -0.000 0.000 0.282 934 T C 0.818 175.541 174.700 0.039 0.000 0.993 934 T CA -0.671 61.448 62.100 0.031 0.000 0.994 934 T CB 1.168 70.051 68.868 0.025 0.000 1.025 934 T HN 0.565 nan 8.240 nan 0.000 0.529 935 D N 0.392 120.819 120.400 0.044 0.000 2.219 935 D HA -0.115 4.525 4.640 -0.000 0.000 0.205 935 D C 2.121 178.447 176.300 0.044 0.000 0.970 935 D CA 1.004 55.033 54.000 0.047 0.000 0.851 935 D CB 0.081 40.915 40.800 0.056 0.000 0.943 935 D HN 0.844 nan 8.370 nan 0.000 0.488 936 E N 1.407 121.630 120.200 0.039 0.000 2.152 936 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 936 E C 1.834 178.454 176.600 0.034 0.000 0.983 936 E CA 0.656 57.076 56.400 0.034 0.000 0.818 936 E CB -0.396 29.321 29.700 0.028 0.000 0.758 936 E HN 0.367 nan 8.360 nan 0.000 0.467 937 E N 1.408 121.629 120.200 0.035 0.000 2.047 937 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 937 E C 2.319 178.949 176.600 0.050 0.000 0.987 937 E CA 0.726 57.150 56.400 0.040 0.000 0.799 937 E CB 0.077 29.802 29.700 0.041 0.000 0.752 937 E HN 0.171 nan 8.360 nan 0.000 0.449 938 R N 0.152 120.681 120.500 0.047 0.000 2.096 938 R HA -0.233 4.107 4.340 -0.000 0.000 0.240 938 R C 2.543 178.871 176.300 0.047 0.000 1.139 938 R CA 1.924 58.051 56.100 0.044 0.000 0.952 938 R CB -0.424 29.898 30.300 0.037 0.000 0.854 938 R HN 0.182 nan 8.270 nan 0.000 0.436 939 Q N 0.953 120.780 119.800 0.045 0.000 2.079 939 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 939 Q C 2.001 178.027 176.000 0.044 0.000 0.974 939 Q CA 1.642 57.471 55.803 0.044 0.000 0.840 939 Q CB -0.154 28.608 28.738 0.041 0.000 0.898 939 Q HN 0.190 nan 8.270 nan 0.000 0.430 940 R N -0.500 120.025 120.500 0.043 0.000 2.081 940 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 940 R C 1.738 178.072 176.300 0.056 0.000 1.131 940 R CA 1.543 57.668 56.100 0.041 0.000 0.960 940 R CB -0.001 30.318 30.300 0.032 0.000 0.856 940 R HN -0.001 nan 8.270 nan 0.000 0.436 941 K N 0.372 120.818 120.400 0.076 0.000 2.057 941 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 941 K C 2.044 178.711 176.600 0.113 0.000 1.049 941 K CA 1.321 57.680 56.287 0.120 0.000 0.931 941 K CB -0.278 32.328 32.500 0.178 0.000 0.714 941 K HN 0.123 nan 8.250 nan 0.000 0.440 942 R N 0.818 121.366 120.500 0.080 0.000 2.083 942 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 942 R C 1.856 178.193 176.300 0.060 0.000 1.137 942 R CA 1.875 58.014 56.100 0.065 0.000 0.951 942 R CB -0.097 30.231 30.300 0.047 0.000 0.851 942 R HN 0.259 nan 8.270 nan 0.000 0.434 943 E N 0.054 120.285 120.200 0.052 0.000 2.077 943 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 943 E C 1.929 178.557 176.600 0.047 0.000 0.989 943 E CA 1.667 58.093 56.400 0.044 0.000 0.800 943 E CB 0.041 29.763 29.700 0.036 0.000 0.746 943 E HN 0.469 nan 8.360 nan 0.000 0.452 944 E N 0.425 120.656 120.200 0.053 0.000 2.110 944 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 944 E C 2.116 178.750 176.600 0.057 0.000 0.988 944 E CA 0.871 57.301 56.400 0.050 0.000 0.804 944 E CB -0.110 29.619 29.700 0.049 0.000 0.745 944 E HN 0.294 nan 8.360 nan 0.000 0.458 945 I N 1.003 121.621 120.570 0.081 0.000 2.127 945 I HA -0.307 3.863 4.170 -0.000 0.000 0.241 945 I C 2.320 178.475 176.117 0.063 0.000 1.075 945 I CA 1.180 62.530 61.300 0.084 0.000 1.334 945 I CB -0.234 37.831 38.000 0.108 0.000 1.040 945 I HN 0.127 nan 8.210 nan 0.000 0.405 946 L N 0.168 121.424 121.223 0.056 0.000 2.265 946 L HA -0.143 4.197 4.340 -0.000 0.000 0.215 946 L C 1.875 178.772 176.870 0.045 0.000 1.117 946 L CA 1.524 56.392 54.840 0.048 0.000 0.782 946 L CB -0.732 41.352 42.059 0.042 0.000 0.914 946 L HN 0.447 nan 8.230 nan 0.000 0.441 947 T N -4.717 109.863 114.554 0.044 0.000 3.243 947 T HA 0.072 4.422 4.350 -0.000 0.000 0.264 947 T C 0.650 175.378 174.700 0.048 0.000 1.000 947 T CA -0.188 61.936 62.100 0.041 0.000 0.901 947 T CB -0.442 68.446 68.868 0.034 0.000 1.083 947 T HN 0.193 nan 8.240 nan 0.000 0.559 948 T N 1.511 116.100 114.554 0.058 0.000 2.926 948 T HA 0.492 4.842 4.350 -0.000 0.000 0.307 948 T C 0.264 175.029 174.700 0.107 0.000 1.059 948 T CA -0.074 62.069 62.100 0.072 0.000 1.122 948 T CB 0.774 69.673 68.868 0.051 0.000 0.972 948 T HN 0.568 nan 8.240 nan 0.000 0.545 949 S N 3.475 119.254 115.700 0.133 0.000 2.740 949 S HA 0.461 4.931 4.470 -0.000 0.000 0.300 949 S C 0.924 175.632 174.600 0.179 0.000 1.147 949 S CA -0.695 57.573 58.200 0.114 0.000 0.871 949 S CB 1.065 64.305 63.200 0.065 0.000 1.173 949 S HN 0.763 nan 8.310 nan 0.000 0.510 950 L N 1.269 122.523 121.223 0.051 0.000 2.079 950 L HA 0.028 4.368 4.340 -0.000 0.000 0.210 950 L C 2.480 179.410 176.870 0.099 0.000 1.081 950 L CA 1.970 56.807 54.840 -0.004 0.000 0.752 950 L CB -0.547 41.470 42.059 -0.069 0.000 0.896 950 L HN 0.907 nan 8.230 nan 0.000 0.433 951 K N -0.784 119.668 120.400 0.086 0.000 2.097 951 K HA -0.178 4.142 4.320 -0.000 0.000 0.205 951 K C 1.737 178.408 176.600 0.117 0.000 1.050 951 K CA 1.536 57.871 56.287 0.081 0.000 0.938 951 K CB -0.126 32.407 32.500 0.054 0.000 0.718 951 K HN 0.423 nan 8.250 nan 0.000 0.442 952 D N 0.180 120.663 120.400 0.138 0.000 2.123 952 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 952 D C 1.741 178.098 176.300 0.094 0.000 0.992 952 D CA 1.159 55.223 54.000 0.107 0.000 0.833 952 D CB -0.243 40.589 40.800 0.054 0.000 0.954 952 D HN 0.164 nan 8.370 nan 0.000 0.455 953 F N 1.544 121.484 119.950 -0.016 0.000 2.126 953 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 953 F C 2.361 178.158 175.800 -0.004 0.000 1.096 953 F CA 1.017 59.003 58.000 -0.024 0.000 1.255 953 F CB -0.090 38.861 39.000 -0.082 0.000 0.997 953 F HN -0.138 nan 8.300 nan 0.000 0.479 954 K N -0.158 120.342 120.400 0.167 0.000 2.103 954 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 954 K C 1.562 178.188 176.600 0.044 0.000 1.052 954 K CA 1.189 57.519 56.287 0.071 0.000 0.945 954 K CB -0.649 31.879 32.500 0.045 0.000 0.722 954 K HN 0.220 nan 8.250 nan 0.000 0.443 955 D N 0.454 120.898 120.400 0.073 0.000 2.144 955 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 955 D C 1.661 177.974 176.300 0.021 0.000 0.978 955 D CA 0.713 54.759 54.000 0.076 0.000 0.833 955 D CB -0.232 40.652 40.800 0.140 0.000 0.961 955 D HN 0.062 nan 8.370 nan 0.000 0.470 956 F N 1.349 121.188 119.950 -0.185 0.000 2.259 956 F HA 0.052 4.579 4.527 -0.000 0.000 0.298 956 F C 2.190 177.771 175.800 -0.366 0.000 1.088 956 F CA 0.735 58.492 58.000 -0.406 0.000 1.358 956 F CB -0.168 38.558 39.000 -0.458 0.000 1.040 956 F HN -0.092 nan 8.300 nan 0.000 0.505 957 A N 0.266 123.004 122.820 -0.137 0.000 1.908 957 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 957 A C 2.085 179.538 177.584 -0.218 0.000 1.181 957 A CA 2.054 53.993 52.037 -0.163 0.000 0.627 957 A CB -0.841 18.124 19.000 -0.058 0.000 0.818 957 A HN 0.614 nan 8.150 nan 0.000 0.445 958 Q N -0.454 119.239 119.800 -0.178 0.000 2.167 958 Q HA 0.045 4.385 4.340 -0.000 0.000 0.202 958 Q C 2.256 178.115 176.000 -0.236 0.000 0.970 958 Q CA 1.151 56.863 55.803 -0.151 0.000 0.855 958 Q CB -0.456 28.236 28.738 -0.077 0.000 0.911 958 Q HN 0.620 nan 8.270 nan 0.000 0.438 959 A N 2.260 124.835 122.820 -0.408 0.000 1.898 959 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 959 A C 2.202 179.412 177.584 -0.625 0.000 1.181 959 A CA 1.378 53.082 52.037 -0.555 0.000 0.620 959 A CB -0.734 17.651 19.000 -1.025 0.000 0.819 959 A HN 0.554 nan 8.150 nan 0.000 0.442 960 I N -3.886 116.209 120.570 -0.792 0.000 3.251 960 I HA 0.004 4.174 4.170 -0.000 0.000 0.277 960 I C 0.763 176.721 176.117 -0.264 0.000 1.268 960 I CA 1.101 61.989 61.300 -0.686 0.000 1.449 960 I CB -0.310 37.106 38.000 -0.974 0.000 1.083 960 I HN -0.049 nan 8.210 nan 0.000 0.464 961 D N 1.704 121.981 120.400 -0.206 0.000 2.310 961 D HA -0.085 4.555 4.640 -0.000 0.000 0.212 961 D C 2.450 178.723 176.300 -0.046 0.000 0.965 961 D CA 0.913 54.863 54.000 -0.082 0.000 0.879 961 D CB 0.074 40.830 40.800 -0.074 0.000 0.921 961 D HN 0.325 nan 8.370 nan 0.000 0.510 962 V N 0.547 120.414 119.914 -0.079 0.000 2.332 962 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 962 V C 2.624 178.733 176.094 0.025 0.000 1.055 962 V CA 1.075 63.358 62.300 -0.028 0.000 1.038 962 V CB -0.428 31.367 31.823 -0.045 0.000 0.651 962 V HN 0.091 nan 8.190 nan 0.000 0.450 963 V N 0.004 119.944 119.914 0.044 0.000 2.343 963 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 963 V C 2.523 178.713 176.094 0.159 0.000 1.051 963 V CA 2.340 64.732 62.300 0.153 0.000 1.036 963 V CB -0.869 31.137 31.823 0.305 0.000 0.654 963 V HN 0.501 nan 8.190 nan 0.000 0.451 964 R N 0.387 120.963 120.500 0.127 0.000 2.097 964 R HA -0.226 4.114 4.340 -0.000 0.000 0.236 964 R C 2.058 178.409 176.300 0.084 0.000 1.135 964 R CA 2.495 58.657 56.100 0.103 0.000 0.934 964 R CB -0.427 29.914 30.300 0.068 0.000 0.846 964 R HN 0.531 nan 8.270 nan 0.000 0.431 965 D N -0.230 120.205 120.400 0.059 0.000 2.149 965 D HA -0.074 4.566 4.640 -0.000 0.000 0.201 965 D C 1.074 177.409 176.300 0.057 0.000 0.972 965 D CA 1.361 55.390 54.000 0.049 0.000 0.835 965 D CB 0.129 40.947 40.800 0.030 0.000 0.966 965 D HN 0.227 nan 8.370 nan 0.000 0.476 966 K N -0.276 120.161 120.400 0.062 0.000 2.447 966 K HA 0.286 4.606 4.320 -0.000 0.000 0.205 966 K C 0.660 177.306 176.600 0.078 0.000 1.059 966 K CA -0.191 56.133 56.287 0.061 0.000 1.065 966 K CB 1.816 34.345 32.500 0.049 0.000 0.885 966 K HN -0.038 nan 8.250 nan 0.000 0.545 967 G N 0.470 109.333 108.800 0.105 0.000 2.503 967 G HA2 0.292 4.252 3.960 -0.000 0.000 0.257 967 G HA3 0.292 4.252 3.960 -0.000 0.000 0.257 967 G C -0.791 174.184 174.900 0.126 0.000 1.214 967 G CA -0.355 44.825 45.100 0.132 0.000 0.839 967 G HN 0.047 nan 8.290 nan 0.000 0.559 968 V N 1.006 120.996 119.914 0.127 0.000 2.472 968 V HA 0.720 4.840 4.120 -0.000 0.000 0.290 968 V C 0.376 176.570 176.094 0.166 0.000 1.037 968 V CA -0.483 61.883 62.300 0.110 0.000 0.908 968 V CB 1.259 33.135 31.823 0.087 0.000 0.985 968 V HN 1.102 nan 8.190 nan 0.000 0.454 969 A N 6.185 129.112 122.820 0.177 0.000 2.276 969 A HA 0.778 5.098 4.320 -0.000 0.000 0.316 969 A C -0.911 176.865 177.584 0.320 0.000 1.229 969 A CA -0.448 51.771 52.037 0.303 0.000 0.851 969 A CB 1.253 20.522 19.000 0.447 0.000 1.165 969 A HN 0.927 nan 8.150 nan 0.000 0.513 970 V N 2.129 122.215 119.914 0.286 0.000 2.483 970 V HA 0.689 4.809 4.120 -0.000 0.000 0.297 970 V C 0.245 176.448 176.094 0.181 0.000 1.027 970 V CA -0.192 62.236 62.300 0.213 0.000 0.855 970 V CB 1.364 33.274 31.823 0.145 0.000 0.995 970 V HN 1.224 nan 8.190 nan 0.000 0.424 971 A N 4.547 127.405 122.820 0.063 0.000 2.355 971 A HA 0.927 5.247 4.320 -0.000 0.000 0.324 971 A C -0.987 176.583 177.584 -0.023 0.000 1.117 971 A CA -0.630 51.412 52.037 0.009 0.000 0.785 971 A CB 1.977 20.898 19.000 -0.130 0.000 1.254 971 A HN 0.651 nan 8.150 nan 0.000 0.453 972 V N 1.311 121.271 119.914 0.078 0.000 2.378 972 V HA 0.749 4.869 4.120 -0.000 0.000 0.288 972 V C 0.282 176.462 176.094 0.144 0.000 1.016 972 V CA 0.388 62.738 62.300 0.083 0.000 0.840 972 V CB 0.616 32.489 31.823 0.083 0.000 0.994 972 V HN 1.479 nan 8.190 nan 0.000 0.431 973 A N 3.381 126.233 122.820 0.054 0.000 2.599 973 A HA 0.784 5.104 4.320 -0.000 0.000 0.290 973 A C -0.236 177.360 177.584 0.019 0.000 1.101 973 A CA -0.589 51.472 52.037 0.040 0.000 0.674 973 A CB 1.417 20.399 19.000 -0.030 0.000 1.277 973 A HN 0.537 nan 8.150 nan 0.000 0.419 974 S N 0.251 115.960 115.700 0.017 0.000 2.558 974 S HA 0.323 4.793 4.470 -0.000 0.000 0.287 974 S C 1.743 176.344 174.600 0.001 0.000 1.321 974 S CA 0.250 58.456 58.200 0.010 0.000 1.048 974 S CB 0.975 64.179 63.200 0.006 0.000 0.844 974 S HN 1.620 nan 8.310 nan 0.000 0.512 975 A N 3.341 126.164 122.820 0.005 0.000 1.873 975 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 975 A C 1.963 179.554 177.584 0.012 0.000 1.193 975 A CA 1.846 53.888 52.037 0.008 0.000 0.629 975 A CB -0.759 18.246 19.000 0.008 0.000 0.826 975 A HN 0.925 nan 8.150 nan 0.000 0.447 976 E N -0.418 119.788 120.200 0.010 0.000 2.055 976 E HA -0.283 4.067 4.350 -0.000 0.000 0.209 976 E C 1.759 178.368 176.600 0.016 0.000 1.036 976 E CA 1.771 58.178 56.400 0.011 0.000 0.849 976 E CB -0.378 29.325 29.700 0.006 0.000 0.767 976 E HN 0.604 nan 8.360 nan 0.000 0.461 977 D N 0.120 120.526 120.400 0.010 0.000 2.144 977 D HA -0.122 4.518 4.640 -0.000 0.000 0.199 977 D C 1.924 178.244 176.300 0.034 0.000 0.984 977 D CA 0.820 54.828 54.000 0.014 0.000 0.834 977 D CB -0.121 40.679 40.800 -0.000 0.000 0.955 977 D HN 0.186 nan 8.370 nan 0.000 0.465 978 I N 0.405 120.987 120.570 0.020 0.000 2.202 978 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 978 I C 1.800 177.982 176.117 0.109 0.000 1.091 978 I CA 1.068 62.392 61.300 0.040 0.000 1.368 978 I CB -0.148 37.839 38.000 -0.022 0.000 1.058 978 I HN -0.119 nan 8.210 nan 0.000 0.410 979 D N 1.094 121.538 120.400 0.073 0.000 2.104 979 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 979 D C 2.245 178.590 176.300 0.075 0.000 0.994 979 D CA 1.661 55.705 54.000 0.074 0.000 0.830 979 D CB -0.169 40.659 40.800 0.047 0.000 0.959 979 D HN 0.324 nan 8.370 nan 0.000 0.452 980 A N 0.446 123.301 122.820 0.058 0.000 1.978 980 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 980 A C 2.223 179.845 177.584 0.062 0.000 1.170 980 A CA 2.247 54.312 52.037 0.046 0.000 0.636 980 A CB -0.768 18.249 19.000 0.028 0.000 0.810 980 A HN 0.264 nan 8.150 nan 0.000 0.448 981 A N -0.257 122.629 122.820 0.110 0.000 1.929 981 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 981 A C 1.914 179.591 177.584 0.154 0.000 1.176 981 A CA 1.442 53.570 52.037 0.152 0.000 0.628 981 A CB -0.448 18.742 19.000 0.317 0.000 0.816 981 A HN 0.520 nan 8.150 nan 0.000 0.444 982 N N 0.714 119.532 118.700 0.197 0.000 2.270 982 N HA -0.102 4.638 4.740 -0.000 0.000 0.181 982 N C 1.234 176.799 175.510 0.091 0.000 1.016 982 N CA 0.990 54.139 53.050 0.166 0.000 0.870 982 N CB -0.420 38.177 38.487 0.183 0.000 0.979 982 N HN 0.427 nan 8.380 nan 0.000 0.431 983 N N 1.264 120.006 118.700 0.069 0.000 2.120 983 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 983 N C 1.557 177.080 175.510 0.022 0.000 1.024 983 N CA 0.719 53.793 53.050 0.040 0.000 0.852 983 N CB -0.250 38.255 38.487 0.031 0.000 1.003 983 N HN 0.463 nan 8.380 nan 0.000 0.424 984 E N 0.343 120.551 120.200 0.014 0.000 2.152 984 E HA -0.007 4.343 4.350 -0.000 0.000 0.192 984 E C -0.125 176.455 176.600 -0.034 0.000 0.983 984 E CA 0.636 57.026 56.400 -0.016 0.000 0.818 984 E CB 0.340 30.022 29.700 -0.030 0.000 0.758 984 E HN 0.215 nan 8.360 nan 0.000 0.467 985 R N 0.587 121.070 120.500 -0.029 0.000 2.500 985 R HA 0.150 4.490 4.340 -0.000 0.000 0.299 985 R C -0.903 175.420 176.300 0.038 0.000 1.038 985 R CA -0.286 55.790 56.100 -0.041 0.000 0.903 985 R CB 1.828 32.019 30.300 -0.181 0.000 1.177 985 R HN -0.100 nan 8.270 nan 0.000 0.455 986 S N 3.310 119.034 115.700 0.040 0.000 3.184 986 S HA -0.116 4.354 4.470 -0.000 0.000 0.376 986 S C 0.292 174.938 174.600 0.077 0.000 1.163 986 S CA 0.256 58.487 58.200 0.053 0.000 1.314 986 S CB -0.411 62.812 63.200 0.037 0.000 0.962 986 S HN 0.703 nan 8.310 nan 0.000 0.543 987 N N 2.902 121.653 118.700 0.084 0.000 2.714 987 N HA -0.227 4.513 4.740 -0.000 0.000 0.252 987 N C 0.088 175.647 175.510 0.081 0.000 1.014 987 N CA 1.059 54.161 53.050 0.087 0.000 0.735 987 N CB -1.782 36.739 38.487 0.055 0.000 0.924 987 N HN 0.720 nan 8.380 nan 0.000 0.540 988 F N -0.217 119.679 119.950 -0.090 0.000 2.102 988 F HA 0.063 4.590 4.527 -0.000 0.000 0.298 988 F C 0.707 176.345 175.800 -0.271 0.000 1.105 988 F CA 1.187 59.033 58.000 -0.257 0.000 1.239 988 F CB 0.123 38.842 39.000 -0.468 0.000 0.991 988 F HN 0.087 nan 8.300 nan 0.000 0.474 989 F N 1.255 121.244 119.950 0.063 0.000 2.408 989 F HA 0.238 4.765 4.527 -0.000 0.000 0.344 989 F C 0.372 176.167 175.800 -0.008 0.000 1.112 989 F CA -0.952 57.034 58.000 -0.023 0.000 1.096 989 F CB 0.694 39.754 39.000 0.099 0.000 1.129 989 F HN -0.199 nan 8.300 nan 0.000 0.486 990 E N 3.131 123.427 120.200 0.161 0.000 2.324 990 E HA 0.198 4.548 4.350 -0.000 0.000 0.271 990 E C -0.974 175.701 176.600 0.124 0.000 1.028 990 E CA -0.352 56.114 56.400 0.110 0.000 0.890 990 E CB 1.036 30.775 29.700 0.066 0.000 1.004 990 E HN 0.363 nan 8.360 nan 0.000 0.431 991 V N 5.460 125.433 119.914 0.099 0.000 2.498 991 V HA 0.287 4.407 4.120 -0.000 0.000 0.279 991 V C 0.414 176.537 176.094 0.049 0.000 1.048 991 V CA -0.240 62.103 62.300 0.071 0.000 0.967 991 V CB 1.158 33.022 31.823 0.068 0.000 0.988 991 V HN 0.507 nan 8.190 nan 0.000 0.473 992 K N 3.405 123.826 120.400 0.034 0.000 2.443 992 K HA 0.606 4.926 4.320 -0.000 0.000 0.252 992 K C -0.888 175.727 176.600 0.025 0.000 0.933 992 K CA -0.820 55.487 56.287 0.033 0.000 0.792 992 K CB 2.668 35.191 32.500 0.038 0.000 1.185 992 K HN 0.631 nan 8.250 nan 0.000 0.425 993 K N 0.000 120.416 120.400 0.027 0.000 2.780 993 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 993 K CA 0.000 56.301 56.287 0.024 0.000 0.838 993 K CB 0.000 32.510 32.500 0.016 0.000 1.064 993 K HN 0.000 nan 8.250 nan 0.000 0.543