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 2hrt_1_B DATA FIRST_RESID 2 DATA SEQUENCE PNFFIDRPIF AWVIAIIIML AGGLAILKLP VAQYPTIAPP AVTISASYPG DATA SEQUENCE ADAKTVQDTV TQVIEQNMNG IDNLMYMSSN SDSTGTVQIT LTFESGTDAD DATA SEQUENCE IAQVQVQNKL QLAMPLLPQE VQQQGVSVEK SSSSFLMVVG VINTDGTMTQ DATA SEQUENCE EDISDYVAAN MKDAISRTSG VGDVQLFGSQ YAMRIWMNPN ELNKFQLTPV DATA SEQUENCE DVITAIKAQN AQVAAGQLGG TPPVKGQQLN ASIIAQTRLT STEEFGKILL DATA SEQUENCE KVNQDGSRVL LRDVAKIELG GENYDIIAEF NGQPASGLGI KLATGANALD DATA SEQUENCE TAAAIRAELA KMEPFFPSGL KIVYPYDTTP FVKISIHEVV KTLVEAIILV DATA SEQUENCE FLVMYLFLQN FRATLIPTIA VPVVLLGTFA VLAAFGFSIN TLTMFGMVLA DATA SEQUENCE IGLLVDDAIV VVENVERVMA EEGLPPKEAT RKSMGQIQGA LVGIAMVLSA DATA SEQUENCE VFVPMAFFGG STGAIYRQFS ITIVSAMALS VLVALILTPA LCATMLKPIA DATA SEQUENCE KGDHGEGKKG FFGWFNRMFE KSTHHYTDSV GGILRSTGRY LVLYLIIVVG DATA SEQUENCE MAYLFVRLPS SFLPDEDQGV FMTMVQLPAG ATQERTQKVL NEVTHYYLTK DATA SEQUENCE EKNNVESVFA VNGFGFAGRG QNTGIAFVSL KDWADRPGEE NKVEAITMRA DATA SEQUENCE TRAFSQIKDA MVFAFNLPAI VELGTATGFD FELIDQAGLG HEKLTQARNQ DATA SEQUENCE LLAEAAKHPD MLTSVRPNGL EDTPQFKIDI DQEKAQALGV SINDINTTLG DATA SEQUENCE AAWGGSYVND FIDRGRVKKV YVMSEAKYRM LPDDIGDWYV RAADGQMVPF DATA SEQUENCE SAFSSSRWEY GSPRLERYNG LPSMEILGQA APGKSTGEAM ELMEQLASKL DATA SEQUENCE PTGVGYDWTG MSYQERLSGN QAPSLYAISL IVVFLCLAAL YESWSIPFSV DATA SEQUENCE MLVVPLGVIG ALLAATFRGL TNDVYFQVGL LTTIGLSAKN AILIVEFAKD DATA SEQUENCE LMDKEGKGLI EATLDAVRMR LRPILMTSLA FILGVMPLVI STGAGSGAQN DATA SEQUENCE AVGTGVMGGM VTATVLAIFF VPVFFVVVRR RF 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.386 177.300 0.143 0.000 1.155 2 P CA 0.000 63.206 63.100 0.177 0.000 0.800 2 P CB 0.000 31.747 31.700 0.079 0.000 0.726 3 N N -0.514 118.239 118.700 0.089 0.000 2.244 3 N HA 0.008 4.735 4.740 -0.022 0.000 0.183 3 N C 1.438 176.971 175.510 0.037 0.000 1.016 3 N CA 0.823 53.906 53.050 0.053 0.000 0.866 3 N CB -0.463 38.043 38.487 0.031 0.000 0.980 3 N HN 0.163 nan 8.380 nan 0.000 0.430 4 F N 0.249 120.106 119.950 -0.154 0.000 2.091 4 F HA -0.195 4.319 4.527 -0.022 0.000 0.299 4 F C 1.413 176.977 175.800 -0.393 0.000 1.103 4 F CA 1.617 59.408 58.000 -0.348 0.000 1.228 4 F CB -0.302 38.334 39.000 -0.607 0.000 0.984 4 F HN 0.006 nan 8.300 nan 0.000 0.477 5 F N -0.964 119.033 119.950 0.077 0.000 2.743 5 F HA 0.101 4.614 4.527 -0.022 0.000 0.297 5 F C 2.099 177.879 175.800 -0.035 0.000 1.131 5 F CA 0.147 58.139 58.000 -0.014 0.000 1.426 5 F CB -0.475 38.513 39.000 -0.020 0.000 1.116 5 F HN -0.102 nan 8.300 nan 0.000 0.583 6 I N 0.223 120.855 120.570 0.103 0.000 2.286 6 I HA -0.271 3.886 4.170 -0.022 0.000 0.248 6 I C 1.378 177.503 176.117 0.013 0.000 1.115 6 I CA 1.447 62.776 61.300 0.049 0.000 1.392 6 I CB -0.169 37.848 38.000 0.028 0.000 1.065 6 I HN 0.073 nan 8.210 nan 0.000 0.418 7 D N 0.559 120.934 120.400 -0.042 0.000 2.339 7 D HA 0.085 4.712 4.640 -0.022 0.000 0.217 7 D C 0.406 176.658 176.300 -0.080 0.000 1.050 7 D CA 0.372 54.329 54.000 -0.072 0.000 0.856 7 D CB 0.274 41.003 40.800 -0.118 0.000 0.922 7 D HN 0.279 nan 8.370 nan 0.000 0.518 8 R N 0.865 121.342 120.500 -0.038 0.000 2.653 8 R HA 0.164 4.491 4.340 -0.022 0.000 0.269 8 R C -1.886 174.545 176.300 0.219 0.000 1.603 8 R CA -0.989 55.146 56.100 0.059 0.000 1.671 8 R CB 1.630 31.924 30.300 -0.010 0.000 1.300 8 R HN -0.066 nan 8.270 nan 0.000 0.668 9 P HA -0.103 nan 4.420 nan 0.000 0.221 9 P C 0.970 178.467 177.300 0.327 0.000 1.150 9 P CA 0.929 64.154 63.100 0.209 0.000 0.800 9 P CB 0.411 32.226 31.700 0.191 0.000 0.787 10 I N -1.187 119.564 120.570 0.302 0.000 2.353 10 I HA -0.132 4.025 4.170 -0.022 0.000 0.248 10 I C 2.553 178.898 176.117 0.380 0.000 1.119 10 I CA 1.144 62.630 61.300 0.311 0.000 1.417 10 I CB -0.931 37.171 38.000 0.170 0.000 1.078 10 I HN -0.165 nan 8.210 nan 0.000 0.421 11 F N 1.082 121.156 119.950 0.206 0.000 2.075 11 F HA -0.322 4.191 4.527 -0.023 0.000 0.297 11 F C 2.542 178.487 175.800 0.241 0.000 1.113 11 F CA 1.069 59.224 58.000 0.258 0.000 1.218 11 F CB 0.015 39.224 39.000 0.347 0.000 0.984 11 F HN 0.087 nan 8.300 nan 0.000 0.472 12 A N -0.192 122.851 122.820 0.373 0.000 1.908 12 A HA -0.272 4.034 4.320 -0.022 0.000 0.218 12 A C 1.905 179.467 177.584 -0.037 0.000 1.181 12 A CA 1.621 53.617 52.037 -0.068 0.000 0.627 12 A CB -1.653 17.234 19.000 -0.187 0.000 0.818 12 A HN 0.702 nan 8.150 nan 0.000 0.445 13 W N -0.314 121.028 121.300 0.071 0.000 2.338 13 W HA -0.169 4.477 4.660 -0.022 0.000 0.304 13 W C 2.340 178.896 176.519 0.062 0.000 1.212 13 W CA 1.439 58.813 57.345 0.047 0.000 1.264 13 W CB -0.307 29.182 29.460 0.050 0.000 1.142 13 W HN 0.149 nan 8.180 nan 0.000 0.512 14 V N 0.668 120.803 119.914 0.369 0.000 2.287 14 V HA -0.338 3.769 4.120 -0.022 0.000 0.248 14 V C 1.879 178.100 176.094 0.211 0.000 1.053 14 V CA 1.913 64.376 62.300 0.272 0.000 1.027 14 V CB -0.822 31.163 31.823 0.270 0.000 0.646 14 V HN 0.174 nan 8.190 nan 0.000 0.447 15 I N 0.357 121.039 120.570 0.187 0.000 2.179 15 I HA -0.249 3.908 4.170 -0.022 0.000 0.242 15 I C 2.695 178.815 176.117 0.005 0.000 1.088 15 I CA 1.518 62.853 61.300 0.059 0.000 1.357 15 I CB -0.705 37.229 38.000 -0.110 0.000 1.051 15 I HN 0.289 nan 8.210 nan 0.000 0.409 16 A N 1.202 124.010 122.820 -0.020 0.000 1.883 16 A HA -0.210 4.097 4.320 -0.022 0.000 0.217 16 A C 2.318 179.944 177.584 0.069 0.000 1.186 16 A CA 1.738 53.759 52.037 -0.026 0.000 0.624 16 A CB -0.943 17.990 19.000 -0.111 0.000 0.822 16 A HN 0.394 nan 8.150 nan 0.000 0.444 17 I N -0.595 120.065 120.570 0.149 0.000 2.208 17 I HA -0.272 3.885 4.170 -0.022 0.000 0.245 17 I C 2.336 178.503 176.117 0.082 0.000 1.097 17 I CA 1.366 62.750 61.300 0.139 0.000 1.363 17 I CB -0.276 37.818 38.000 0.157 0.000 1.051 17 I HN 0.322 nan 8.210 nan 0.000 0.413 18 I N 0.476 121.090 120.570 0.073 0.000 2.226 18 I HA -0.305 3.852 4.170 -0.022 0.000 0.245 18 I C 2.408 178.543 176.117 0.030 0.000 1.100 18 I CA 1.609 62.939 61.300 0.050 0.000 1.374 18 I CB -0.164 37.870 38.000 0.056 0.000 1.057 18 I HN 0.137 nan 8.210 nan 0.000 0.413 19 I N -0.065 120.516 120.570 0.018 0.000 2.208 19 I HA -0.344 3.813 4.170 -0.022 0.000 0.245 19 I C 2.565 178.692 176.117 0.017 0.000 1.097 19 I CA 1.516 62.816 61.300 0.001 0.000 1.363 19 I CB -0.273 37.712 38.000 -0.025 0.000 1.051 19 I HN 0.216 nan 8.210 nan 0.000 0.413 20 M N -0.110 119.509 119.600 0.031 0.000 2.086 20 M HA -0.221 4.246 4.480 -0.022 0.000 0.261 20 M C 2.405 178.724 176.300 0.031 0.000 1.067 20 M CA 1.913 57.237 55.300 0.040 0.000 1.116 20 M CB -0.424 32.211 32.600 0.059 0.000 1.348 20 M HN 0.249 nan 8.290 nan 0.000 0.407 21 L N -0.278 120.963 121.223 0.030 0.000 2.027 21 L HA -0.162 4.165 4.340 -0.022 0.000 0.206 21 L C 2.826 179.704 176.870 0.013 0.000 1.074 21 L CA 1.198 56.050 54.840 0.020 0.000 0.745 21 L CB -0.815 41.258 42.059 0.023 0.000 0.898 21 L HN 0.301 nan 8.230 nan 0.000 0.433 22 A N 0.082 122.910 122.820 0.014 0.000 1.933 22 A HA -0.113 4.194 4.320 -0.022 0.000 0.218 22 A C 2.346 179.939 177.584 0.015 0.000 1.175 22 A CA 1.691 53.733 52.037 0.008 0.000 0.628 22 A CB -1.081 17.920 19.000 0.001 0.000 0.814 22 A HN 0.458 nan 8.150 nan 0.000 0.444 23 G N -0.833 107.984 108.800 0.029 0.000 2.421 23 G HA2 0.127 4.074 3.960 -0.022 0.000 0.217 23 G HA3 0.127 4.074 3.960 -0.022 0.000 0.217 23 G C 1.440 176.351 174.900 0.019 0.000 1.143 23 G CA 1.103 46.240 45.100 0.062 0.000 0.784 23 G HN 0.660 nan 8.290 nan 0.000 0.541 24 G N 0.490 109.289 108.800 -0.002 0.000 2.421 24 G HA2 -0.090 3.857 3.960 -0.022 0.000 0.217 24 G HA3 -0.090 3.857 3.960 -0.022 0.000 0.217 24 G C 1.597 176.472 174.900 -0.042 0.000 1.143 24 G CA 0.359 45.438 45.100 -0.035 0.000 0.784 24 G HN 0.295 nan 8.290 nan 0.000 0.541 25 L N 0.812 122.022 121.223 -0.020 0.000 2.109 25 L HA 0.135 4.462 4.340 -0.022 0.000 0.207 25 L C 3.088 179.945 176.870 -0.021 0.000 1.086 25 L CA 1.761 56.590 54.840 -0.018 0.000 0.760 25 L CB -0.941 41.114 42.059 -0.006 0.000 0.910 25 L HN 0.317 nan 8.230 nan 0.000 0.437 26 A N 0.069 122.882 122.820 -0.012 0.000 1.841 26 A HA -0.235 4.072 4.320 -0.022 0.000 0.214 26 A C 2.204 179.759 177.584 -0.047 0.000 1.195 26 A CA 1.605 53.643 52.037 0.001 0.000 0.611 26 A CB -0.817 18.214 19.000 0.052 0.000 0.835 26 A HN 0.320 nan 8.150 nan 0.000 0.443 27 I N -0.641 119.846 120.570 -0.138 0.000 2.399 27 I HA -0.220 3.937 4.170 -0.022 0.000 0.254 27 I C 2.024 178.030 176.117 -0.186 0.000 1.146 27 I CA 1.102 62.215 61.300 -0.312 0.000 1.412 27 I CB 0.029 37.704 38.000 -0.541 0.000 1.076 27 I HN 0.279 nan 8.210 nan 0.000 0.432 28 L N -0.364 120.791 121.223 -0.114 0.000 2.131 28 L HA -0.052 4.274 4.340 -0.022 0.000 0.206 28 L C 1.425 178.264 176.870 -0.052 0.000 1.087 28 L CA 1.589 56.382 54.840 -0.078 0.000 0.767 28 L CB -0.593 41.432 42.059 -0.056 0.000 0.917 28 L HN 0.197 nan 8.230 nan 0.000 0.441 29 K N -0.692 119.686 120.400 -0.036 0.000 2.646 29 K HA 0.235 4.541 4.320 -0.022 0.000 0.206 29 K C -0.496 176.102 176.600 -0.003 0.000 1.069 29 K CA -0.259 56.018 56.287 -0.017 0.000 1.067 29 K CB 0.259 32.754 32.500 -0.009 0.000 0.807 29 K HN -0.082 nan 8.250 nan 0.000 0.482 30 L N 1.462 122.681 121.223 -0.006 0.000 2.375 30 L HA 0.434 4.760 4.340 -0.022 0.000 0.271 30 L C -2.321 174.562 176.870 0.022 0.000 1.107 30 L CA -2.332 52.522 54.840 0.023 0.000 0.806 30 L CB 0.562 42.645 42.059 0.040 0.000 1.146 30 L HN 0.016 nan 8.230 nan 0.000 0.447 31 P HA 0.218 nan 4.420 nan 0.000 0.271 31 P C -1.384 175.935 177.300 0.033 0.000 1.216 31 P CA -0.196 62.923 63.100 0.031 0.000 0.776 31 P CB 0.735 32.456 31.700 0.036 0.000 0.881 32 V N -0.295 119.632 119.914 0.021 0.000 2.604 32 V HA 0.975 5.082 4.120 -0.022 0.000 0.305 32 V C -0.687 175.421 176.094 0.023 0.000 1.043 32 V CA -1.037 61.274 62.300 0.020 0.000 0.888 32 V CB 1.451 33.277 31.823 0.005 0.000 0.995 32 V HN 0.738 nan 8.190 nan 0.000 0.429 33 A N 2.879 125.713 122.820 0.023 0.000 2.609 33 A HA 0.618 4.925 4.320 -0.022 0.000 0.291 33 A C 0.361 177.953 177.584 0.014 0.000 1.096 33 A CA -0.047 52.013 52.037 0.037 0.000 0.684 33 A CB 1.772 20.804 19.000 0.053 0.000 1.282 33 A HN 0.913 nan 8.150 nan 0.000 0.412 34 Q N -0.888 118.934 119.800 0.037 0.000 2.084 34 Q HA -0.048 4.279 4.340 -0.022 0.000 0.202 34 Q C -0.673 175.126 176.000 -0.335 0.000 0.978 34 Q CA 1.770 57.530 55.803 -0.072 0.000 0.844 34 Q CB -0.038 28.763 28.738 0.105 0.000 0.898 34 Q HN 0.674 nan 8.270 nan 0.000 0.426 35 Y N -1.082 119.283 120.300 0.108 0.000 2.588 35 Y HA 0.424 4.960 4.550 -0.023 0.000 0.343 35 Y C -2.152 173.762 175.900 0.023 0.000 1.065 35 Y CA -2.437 55.706 58.100 0.071 0.000 1.038 35 Y CB 1.681 40.192 38.460 0.083 0.000 1.297 35 Y HN 0.087 nan 8.280 nan 0.000 0.467 36 P HA 0.192 nan 4.420 nan 0.000 0.282 36 P C -0.680 176.640 177.300 0.035 0.000 1.287 36 P CA -0.474 62.647 63.100 0.035 0.000 0.792 36 P CB 0.601 32.261 31.700 -0.066 0.000 1.163 37 T N 0.777 115.323 114.554 -0.012 0.000 2.867 37 T HA 0.130 4.467 4.350 -0.022 0.000 0.297 37 T C 1.180 175.863 174.700 -0.028 0.000 0.989 37 T CA 0.628 62.718 62.100 -0.018 0.000 1.159 37 T CB -0.362 68.487 68.868 -0.031 0.000 0.928 37 T HN 0.261 nan 8.240 nan 0.000 0.538 38 I N 1.463 122.019 120.570 -0.024 0.000 4.530 38 I HA 0.274 4.431 4.170 -0.022 0.000 0.318 38 I C 1.280 177.382 176.117 -0.026 0.000 1.257 38 I CA -0.163 61.118 61.300 -0.033 0.000 1.301 38 I CB 0.193 38.158 38.000 -0.059 0.000 1.297 38 I HN 0.576 nan 8.210 nan 0.000 0.451 39 A N 3.376 126.182 122.820 -0.023 0.000 2.388 39 A HA 0.463 4.770 4.320 -0.022 0.000 0.257 39 A C -2.249 175.340 177.584 0.008 0.000 1.095 39 A CA -1.006 51.025 52.037 -0.009 0.000 0.791 39 A CB -0.610 18.384 19.000 -0.010 0.000 1.029 39 A HN -0.017 nan 8.150 nan 0.000 0.489 40 P HA 0.211 nan 4.420 nan 0.000 0.268 40 P C -2.654 174.668 177.300 0.037 0.000 1.205 40 P CA -0.915 62.204 63.100 0.033 0.000 0.771 40 P CB -0.440 31.280 31.700 0.034 0.000 0.858 41 P HA 0.167 nan 4.420 nan 0.000 0.264 41 P C -0.712 176.690 177.300 0.169 0.000 1.193 41 P CA 0.520 63.668 63.100 0.079 0.000 0.763 41 P CB 0.228 31.952 31.700 0.040 0.000 0.810 42 A N 3.290 126.185 122.820 0.125 0.000 2.359 42 A HA 0.532 4.839 4.320 -0.022 0.000 0.303 42 A C -0.851 176.816 177.584 0.138 0.000 1.066 42 A CA -0.597 51.517 52.037 0.127 0.000 0.730 42 A CB 1.146 20.168 19.000 0.036 0.000 1.211 42 A HN 0.308 nan 8.150 nan 0.000 0.439 43 V N 2.345 122.388 119.914 0.214 0.000 2.394 43 V HA 0.492 4.599 4.120 -0.022 0.000 0.282 43 V C 0.238 176.392 176.094 0.100 0.000 1.031 43 V CA -0.147 62.249 62.300 0.161 0.000 0.881 43 V CB 1.611 33.572 31.823 0.229 0.000 0.982 43 V HN 0.898 nan 8.190 nan 0.000 0.451 44 T N 6.520 121.119 114.554 0.075 0.000 2.758 44 T HA 0.582 4.918 4.350 -0.022 0.000 0.285 44 T C -0.106 174.630 174.700 0.061 0.000 0.981 44 T CA -0.130 62.010 62.100 0.066 0.000 0.965 44 T CB 0.639 69.548 68.868 0.069 0.000 0.927 44 T HN 0.388 nan 8.240 nan 0.000 0.448 45 I N 2.688 123.293 120.570 0.058 0.000 2.325 45 I HA 0.353 4.509 4.170 -0.022 0.000 0.291 45 I C 0.514 176.666 176.117 0.059 0.000 1.019 45 I CA -0.316 61.016 61.300 0.054 0.000 1.302 45 I CB 1.087 39.116 38.000 0.048 0.000 1.401 45 I HN 0.463 nan 8.210 nan 0.000 0.485 46 S N 4.433 120.168 115.700 0.059 0.000 2.503 46 S HA 0.889 5.346 4.470 -0.022 0.000 0.301 46 S C -0.529 174.109 174.600 0.063 0.000 1.087 46 S CA -0.555 57.684 58.200 0.066 0.000 1.042 46 S CB 2.038 65.278 63.200 0.067 0.000 1.043 46 S HN 0.765 nan 8.310 nan 0.000 0.489 47 A N 1.858 124.722 122.820 0.073 0.000 2.574 47 A HA 0.799 5.106 4.320 -0.022 0.000 0.297 47 A C -0.925 176.716 177.584 0.096 0.000 1.062 47 A CA -0.802 51.280 52.037 0.075 0.000 0.686 47 A CB 1.458 20.499 19.000 0.069 0.000 1.285 47 A HN 0.965 nan 8.150 nan 0.000 0.403 48 S N 0.580 116.342 115.700 0.102 0.000 2.647 48 S HA 0.588 5.044 4.470 -0.022 0.000 0.300 48 S C -1.101 173.609 174.600 0.183 0.000 1.129 48 S CA -0.400 57.883 58.200 0.138 0.000 1.029 48 S CB 0.909 64.181 63.200 0.119 0.000 1.007 48 S HN 0.926 nan 8.310 nan 0.000 0.484 49 Y N 5.061 125.408 120.300 0.078 0.000 2.595 49 Y HA 0.363 4.900 4.550 -0.022 0.000 0.336 49 Y C -2.301 173.654 175.900 0.092 0.000 0.996 49 Y CA -2.863 55.287 58.100 0.083 0.000 1.260 49 Y CB 1.045 39.544 38.460 0.066 0.000 1.108 49 Y HN 0.520 nan 8.280 nan 0.000 0.509 50 P HA 0.011 nan 4.420 nan 0.000 0.263 50 P C 0.689 178.143 177.300 0.256 0.000 1.195 50 P CA 1.560 64.832 63.100 0.288 0.000 0.762 50 P CB 0.908 32.789 31.700 0.301 0.000 0.799 51 G N 1.877 110.765 108.800 0.146 0.000 2.179 51 G HA2 -0.151 3.796 3.960 -0.022 0.000 0.260 51 G HA3 -0.151 3.796 3.960 -0.022 0.000 0.260 51 G C 0.357 175.238 174.900 -0.031 0.000 0.977 51 G CA 0.078 45.226 45.100 0.081 0.000 0.641 51 G HN 0.887 nan 8.290 nan 0.000 0.533 52 A N 0.465 123.223 122.820 -0.103 0.000 2.302 52 A HA 0.621 4.928 4.320 -0.022 0.000 0.285 52 A C 0.505 178.018 177.584 -0.120 0.000 1.105 52 A CA 0.275 52.150 52.037 -0.269 0.000 0.816 52 A CB 0.466 19.148 19.000 -0.530 0.000 1.067 52 A HN 0.637 nan 8.150 nan 0.000 0.489 53 D N 0.417 120.740 120.400 -0.129 0.000 2.387 53 D HA 0.433 5.060 4.640 -0.022 0.000 0.255 53 D C 1.040 177.308 176.300 -0.052 0.000 1.081 53 D CA 0.090 54.049 54.000 -0.067 0.000 0.994 53 D CB 1.503 42.261 40.800 -0.069 0.000 1.127 53 D HN 0.410 nan 8.370 nan 0.000 0.513 54 A N 0.627 123.431 122.820 -0.027 0.000 1.917 54 A HA -0.262 4.045 4.320 -0.022 0.000 0.219 54 A C 2.089 179.656 177.584 -0.028 0.000 1.182 54 A CA 2.012 54.039 52.037 -0.017 0.000 0.633 54 A CB -0.711 18.279 19.000 -0.018 0.000 0.819 54 A HN 0.704 nan 8.150 nan 0.000 0.448 55 K N -1.182 119.190 120.400 -0.047 0.000 2.062 55 K HA -0.105 4.202 4.320 -0.022 0.000 0.205 55 K C 2.022 178.600 176.600 -0.035 0.000 1.051 55 K CA 1.680 57.941 56.287 -0.043 0.000 0.941 55 K CB -0.284 32.185 32.500 -0.052 0.000 0.719 55 K HN 0.455 nan 8.250 nan 0.000 0.440 56 T N 1.349 115.863 114.554 -0.065 0.000 2.708 56 T HA -0.129 4.208 4.350 -0.022 0.000 0.266 56 T C 1.905 176.586 174.700 -0.032 0.000 1.037 56 T CA 1.755 63.801 62.100 -0.089 0.000 1.146 56 T CB -0.335 68.400 68.868 -0.221 0.000 0.865 56 T HN 0.258 nan 8.240 nan 0.000 0.435 57 V N 0.736 120.639 119.914 -0.019 0.000 2.295 57 V HA -0.246 3.861 4.120 -0.022 0.000 0.246 57 V C 2.467 178.608 176.094 0.078 0.000 1.049 57 V CA 1.968 64.317 62.300 0.081 0.000 1.024 57 V CB -1.213 30.663 31.823 0.088 0.000 0.648 57 V HN 0.392 nan 8.190 nan 0.000 0.447 58 Q N 0.430 120.256 119.800 0.043 0.000 2.014 58 Q HA -0.291 4.035 4.340 -0.022 0.000 0.207 58 Q C 2.005 178.032 176.000 0.044 0.000 0.993 58 Q CA 2.551 58.378 55.803 0.041 0.000 0.850 58 Q CB -0.291 28.461 28.738 0.024 0.000 0.916 58 Q HN 0.726 nan 8.270 nan 0.000 0.417 59 D N -1.024 119.397 120.400 0.035 0.000 2.371 59 D HA -0.043 4.584 4.640 -0.022 0.000 0.221 59 D C 1.056 177.387 176.300 0.052 0.000 0.986 59 D CA 0.825 54.846 54.000 0.035 0.000 0.899 59 D CB 0.193 41.006 40.800 0.022 0.000 0.902 59 D HN 0.206 nan 8.370 nan 0.000 0.530 60 T N -1.240 113.361 114.554 0.079 0.000 2.987 60 T HA 0.129 4.465 4.350 -0.022 0.000 0.248 60 T C 1.725 176.490 174.700 0.108 0.000 0.997 60 T CA 0.062 62.230 62.100 0.113 0.000 1.013 60 T CB 0.749 69.732 68.868 0.192 0.000 1.077 60 T HN -0.103 nan 8.240 nan 0.000 0.483 61 V N 0.582 120.563 119.914 0.112 0.000 3.097 61 V HA 0.046 4.153 4.120 -0.022 0.000 0.223 61 V C 2.549 178.682 176.094 0.066 0.000 1.199 61 V CA 1.078 63.432 62.300 0.090 0.000 1.260 61 V CB -0.758 31.135 31.823 0.118 0.000 1.155 61 V HN 0.310 nan 8.190 nan 0.000 0.509 62 T N 0.310 114.904 114.554 0.067 0.000 2.597 62 T HA -0.336 4.001 4.350 -0.022 0.000 0.267 62 T C 1.881 176.604 174.700 0.039 0.000 1.053 62 T CA 2.348 64.479 62.100 0.052 0.000 1.165 62 T CB -0.396 68.504 68.868 0.053 0.000 0.863 62 T HN 0.415 nan 8.240 nan 0.000 0.427 63 Q N 0.138 119.961 119.800 0.037 0.000 2.077 63 Q HA -0.118 4.209 4.340 -0.022 0.000 0.206 63 Q C 2.656 178.670 176.000 0.023 0.000 0.989 63 Q CA 1.531 57.351 55.803 0.027 0.000 0.853 63 Q CB -0.565 28.189 28.738 0.027 0.000 0.907 63 Q HN 0.382 nan 8.270 nan 0.000 0.418 64 V N 1.009 120.940 119.914 0.029 0.000 2.255 64 V HA -0.294 3.813 4.120 -0.022 0.000 0.247 64 V C 2.180 178.286 176.094 0.020 0.000 1.051 64 V CA 1.820 64.134 62.300 0.024 0.000 1.018 64 V CB -0.573 31.267 31.823 0.029 0.000 0.641 64 V HN 0.346 nan 8.190 nan 0.000 0.445 65 I N -0.242 120.342 120.570 0.024 0.000 2.127 65 I HA -0.264 3.893 4.170 -0.022 0.000 0.241 65 I C 2.620 178.745 176.117 0.014 0.000 1.075 65 I CA 1.784 63.097 61.300 0.021 0.000 1.334 65 I CB -0.500 37.517 38.000 0.028 0.000 1.040 65 I HN 0.370 nan 8.210 nan 0.000 0.405 66 E N 0.491 120.698 120.200 0.011 0.000 2.049 66 E HA -0.322 4.015 4.350 -0.022 0.000 0.198 66 E C 2.123 178.720 176.600 -0.005 0.000 1.007 66 E CA 1.392 57.791 56.400 -0.002 0.000 0.809 66 E CB -0.206 29.492 29.700 -0.003 0.000 0.749 66 E HN 0.524 nan 8.360 nan 0.000 0.450 67 Q N -0.104 119.697 119.800 0.001 0.000 2.515 67 Q HA -0.088 4.239 4.340 -0.022 0.000 0.215 67 Q C 0.898 176.899 176.000 0.001 0.000 0.983 67 Q CA 0.558 56.361 55.803 0.000 0.000 0.905 67 Q CB 0.072 28.813 28.738 0.005 0.000 0.961 67 Q HN 0.269 nan 8.270 nan 0.000 0.503 68 N N -0.900 117.802 118.700 0.003 0.000 2.171 68 N HA 0.087 4.814 4.740 -0.022 0.000 0.212 68 N C -0.368 175.146 175.510 0.007 0.000 1.184 68 N CA -0.006 53.048 53.050 0.006 0.000 0.888 68 N CB 0.682 39.175 38.487 0.010 0.000 1.038 68 N HN 0.152 nan 8.380 nan 0.000 0.517 69 M N 2.425 122.026 119.600 0.001 0.000 3.422 69 M HA 0.186 4.652 4.480 -0.022 0.000 0.248 69 M C -0.341 175.958 176.300 -0.002 0.000 1.433 69 M CA 0.189 55.490 55.300 0.002 0.000 1.592 69 M CB -1.405 31.187 32.600 -0.013 0.000 1.078 69 M HN 0.087 nan 8.290 nan 0.000 0.578 70 N N -1.013 117.691 118.700 0.007 0.000 2.509 70 N HA 0.589 5.316 4.740 -0.022 0.000 0.280 70 N C 0.458 175.978 175.510 0.017 0.000 1.306 70 N CA -0.568 52.486 53.050 0.007 0.000 0.782 70 N CB 1.364 39.851 38.487 0.001 0.000 1.493 70 N HN 0.466 nan 8.380 nan 0.000 0.498 71 G N 0.280 109.090 108.800 0.017 0.000 2.305 71 G HA2 -0.239 3.708 3.960 -0.022 0.000 0.287 71 G HA3 -0.239 3.708 3.960 -0.022 0.000 0.287 71 G C -0.447 174.473 174.900 0.034 0.000 1.036 71 G CA 0.186 45.299 45.100 0.021 0.000 0.887 71 G HN 0.558 nan 8.290 nan 0.000 0.505 72 I N 0.455 121.055 120.570 0.052 0.000 2.433 72 I HA 0.283 4.439 4.170 -0.022 0.000 0.292 72 I C -0.427 175.761 176.117 0.117 0.000 1.001 72 I CA -1.071 60.283 61.300 0.091 0.000 1.119 72 I CB 1.468 39.551 38.000 0.139 0.000 1.289 72 I HN -0.048 nan 8.210 nan 0.000 0.438 73 D N 6.054 126.520 120.400 0.110 0.000 2.341 73 D HA 0.128 4.755 4.640 -0.022 0.000 0.245 73 D C 0.301 176.724 176.300 0.205 0.000 1.106 73 D CA 0.142 54.205 54.000 0.104 0.000 0.905 73 D CB 0.612 41.439 40.800 0.044 0.000 1.202 73 D HN 0.482 nan 8.370 nan 0.000 0.426 74 N N -0.219 118.578 118.700 0.161 0.000 2.741 74 N HA -0.208 4.519 4.740 -0.022 0.000 0.250 74 N C -0.325 175.328 175.510 0.239 0.000 1.115 74 N CA 0.175 53.340 53.050 0.193 0.000 0.724 74 N CB -1.568 37.025 38.487 0.177 0.000 1.090 74 N HN 0.317 nan 8.380 nan 0.000 0.558 75 L N 0.793 122.070 121.223 0.090 0.000 2.418 75 L HA 0.188 4.515 4.340 -0.022 0.000 0.274 75 L C 1.634 178.375 176.870 -0.216 0.000 1.135 75 L CA 0.545 55.232 54.840 -0.255 0.000 0.870 75 L CB 0.424 42.334 42.059 -0.249 0.000 1.154 75 L HN 0.200 nan 8.230 nan 0.000 0.462 76 M N 4.428 123.815 119.600 -0.356 0.000 2.276 76 M HA 0.068 4.535 4.480 -0.022 0.000 0.262 76 M C -0.670 175.459 176.300 -0.285 0.000 1.098 76 M CA 1.064 56.191 55.300 -0.288 0.000 1.167 76 M CB 0.232 32.569 32.600 -0.439 0.000 1.337 76 M HN 0.663 nan 8.290 nan 0.000 0.446 77 Y N -2.736 117.341 120.300 -0.372 0.000 2.689 77 Y HA 0.660 5.199 4.550 -0.017 0.000 0.333 77 Y C -1.061 174.603 175.900 -0.392 0.000 1.208 77 Y CA -2.107 55.745 58.100 -0.413 0.000 1.055 77 Y CB 0.950 39.147 38.460 -0.438 0.000 1.304 77 Y HN 0.033 nan 8.280 nan 0.000 0.455 78 M N 3.011 122.501 119.600 -0.183 0.000 2.326 78 M HA 0.741 5.208 4.480 -0.022 0.000 0.292 78 M C -1.638 174.591 176.300 -0.118 0.000 1.081 78 M CA -0.351 54.858 55.300 -0.151 0.000 0.919 78 M CB 2.079 34.569 32.600 -0.184 0.000 1.634 78 M HN 1.057 nan 8.290 nan 0.000 0.451 79 S N 2.671 118.410 115.700 0.065 0.000 2.595 79 S HA 0.977 5.434 4.470 -0.022 0.000 0.281 79 S C -1.042 173.621 174.600 0.105 0.000 1.117 79 S CA -0.212 58.086 58.200 0.162 0.000 0.873 79 S CB 2.078 65.484 63.200 0.343 0.000 1.108 79 S HN 1.013 nan 8.310 nan 0.000 0.477 80 S N 1.132 116.895 115.700 0.104 0.000 2.596 80 S HA 0.720 5.177 4.470 -0.022 0.000 0.270 80 S C -1.705 172.944 174.600 0.082 0.000 1.155 80 S CA -0.999 57.249 58.200 0.082 0.000 0.827 80 S CB 1.291 64.526 63.200 0.060 0.000 1.130 80 S HN 0.762 nan 8.310 nan 0.000 0.467 81 N N 0.210 118.956 118.700 0.078 0.000 2.312 81 N HA 0.690 5.417 4.740 -0.022 0.000 0.296 81 N C -1.521 174.030 175.510 0.069 0.000 1.193 81 N CA -0.784 52.310 53.050 0.074 0.000 0.773 81 N CB 2.058 40.592 38.487 0.079 0.000 1.435 81 N HN 0.649 nan 8.380 nan 0.000 0.484 82 S N 0.466 116.203 115.700 0.061 0.000 2.496 82 S HA 0.282 4.739 4.470 -0.022 0.000 0.221 82 S C -1.257 173.372 174.600 0.047 0.000 1.260 82 S CA -0.760 57.473 58.200 0.055 0.000 1.181 82 S CB 0.511 63.737 63.200 0.044 0.000 1.136 82 S HN 0.395 nan 8.310 nan 0.000 0.467 83 D N 1.644 122.078 120.400 0.057 0.000 2.329 83 D HA 0.276 4.903 4.640 -0.022 0.000 0.246 83 D C 0.840 177.166 176.300 0.043 0.000 1.111 83 D CA -0.359 53.673 54.000 0.053 0.000 0.941 83 D CB 0.698 41.538 40.800 0.067 0.000 1.169 83 D HN 0.405 nan 8.370 nan 0.000 0.441 84 S N -1.492 114.231 115.700 0.037 0.000 2.685 84 S HA 0.005 4.461 4.470 -0.022 0.000 0.240 84 S C 0.999 175.627 174.600 0.045 0.000 0.967 84 S CA -0.418 57.799 58.200 0.029 0.000 1.009 84 S CB -0.738 62.475 63.200 0.022 0.000 0.776 84 S HN 0.521 nan 8.310 nan 0.000 0.467 85 T N -2.487 112.103 114.554 0.059 0.000 3.188 85 T HA 0.479 4.816 4.350 -0.022 0.000 0.250 85 T C 1.495 176.243 174.700 0.082 0.000 1.077 85 T CA 0.191 62.334 62.100 0.072 0.000 0.967 85 T CB -0.318 68.599 68.868 0.081 0.000 1.006 85 T HN 0.970 nan 8.240 nan 0.000 0.552 86 G N 1.821 110.664 108.800 0.072 0.000 2.153 86 G HA2 -0.241 3.705 3.960 -0.022 0.000 0.252 86 G HA3 -0.241 3.705 3.960 -0.022 0.000 0.252 86 G C 0.149 175.127 174.900 0.130 0.000 0.994 86 G CA 0.319 45.477 45.100 0.096 0.000 0.698 86 G HN 1.164 nan 8.290 nan 0.000 0.521 87 T N -2.412 112.206 114.554 0.107 0.000 2.856 87 T HA 0.733 5.070 4.350 -0.022 0.000 0.283 87 T C -0.375 174.386 174.700 0.101 0.000 1.008 87 T CA -0.663 61.503 62.100 0.110 0.000 0.997 87 T CB 3.042 71.973 68.868 0.105 0.000 0.992 87 T HN 0.761 nan 8.240 nan 0.000 0.454 88 V N 2.910 122.885 119.914 0.101 0.000 2.555 88 V HA 0.513 4.619 4.120 -0.022 0.000 0.302 88 V C -0.320 175.826 176.094 0.086 0.000 1.038 88 V CA -0.740 61.614 62.300 0.090 0.000 0.887 88 V CB 1.629 33.505 31.823 0.088 0.000 0.991 88 V HN 0.940 nan 8.190 nan 0.000 0.434 89 Q N 4.225 124.076 119.800 0.085 0.000 2.290 89 Q HA 0.591 4.918 4.340 -0.022 0.000 0.269 89 Q C -1.418 174.628 176.000 0.076 0.000 1.016 89 Q CA -0.379 55.476 55.803 0.085 0.000 0.754 89 Q CB 2.631 31.430 28.738 0.101 0.000 1.247 89 Q HN 0.676 nan 8.270 nan 0.000 0.451 90 I N 1.908 122.517 120.570 0.065 0.000 2.355 90 I HA 0.320 4.477 4.170 -0.022 0.000 0.288 90 I C -0.187 175.958 176.117 0.047 0.000 0.999 90 I CA -0.387 60.944 61.300 0.052 0.000 1.163 90 I CB 1.952 39.974 38.000 0.037 0.000 1.316 90 I HN 0.329 nan 8.210 nan 0.000 0.454 91 T N 7.438 122.021 114.554 0.048 0.000 2.758 91 T HA 0.586 4.922 4.350 -0.022 0.000 0.285 91 T C -0.341 174.342 174.700 -0.028 0.000 0.981 91 T CA -0.399 61.723 62.100 0.037 0.000 0.965 91 T CB 0.821 69.733 68.868 0.072 0.000 0.927 91 T HN 0.177 nan 8.240 nan 0.000 0.448 92 L N 3.873 125.041 121.223 -0.092 0.000 2.280 92 L HA 0.445 4.772 4.340 -0.022 0.000 0.287 92 L C 0.538 177.128 176.870 -0.466 0.000 1.023 92 L CA -0.424 54.229 54.840 -0.312 0.000 0.819 92 L CB 1.395 43.252 42.059 -0.335 0.000 1.212 92 L HN 0.568 nan 8.230 nan 0.000 0.420 93 T N 2.794 116.960 114.554 -0.647 0.000 2.795 93 T HA 0.642 4.979 4.350 -0.022 0.000 0.282 93 T C -0.314 173.927 174.700 -0.766 0.000 0.980 93 T CA -0.270 61.458 62.100 -0.620 0.000 1.012 93 T CB 0.625 68.975 68.868 -0.863 0.000 0.936 93 T HN 0.035 nan 8.240 nan 0.000 0.457 94 F N 0.862 120.673 119.950 -0.232 0.000 2.497 94 F HA 0.385 4.912 4.527 -0.001 0.000 0.331 94 F C 1.039 176.772 175.800 -0.111 0.000 1.060 94 F CA -1.368 56.539 58.000 -0.154 0.000 0.989 94 F CB 0.766 39.709 39.000 -0.095 0.000 1.245 94 F HN 0.389 nan 8.300 nan 0.000 0.486 95 E N 0.379 120.664 120.200 0.143 0.000 2.442 95 E HA -0.012 4.325 4.350 -0.022 0.000 0.262 95 E C -0.174 176.481 176.600 0.092 0.000 1.004 95 E CA 0.007 56.470 56.400 0.105 0.000 0.928 95 E CB 0.394 30.155 29.700 0.102 0.000 0.937 95 E HN 0.436 nan 8.360 nan 0.000 0.446 96 S N 0.895 116.645 115.700 0.083 0.000 2.599 96 S HA 0.152 4.608 4.470 -0.022 0.000 0.303 96 S C 1.295 175.920 174.600 0.041 0.000 1.267 96 S CA 1.092 59.328 58.200 0.061 0.000 1.055 96 S CB 0.100 63.341 63.200 0.068 0.000 0.790 96 S HN 0.765 nan 8.310 nan 0.000 0.500 97 G N 3.047 111.858 108.800 0.019 0.000 2.179 97 G HA2 -0.258 3.689 3.960 -0.022 0.000 0.260 97 G HA3 -0.258 3.689 3.960 -0.022 0.000 0.260 97 G C 0.228 175.122 174.900 -0.009 0.000 0.977 97 G CA 0.309 45.409 45.100 -0.000 0.000 0.641 97 G HN 0.777 nan 8.290 nan 0.000 0.533 98 T N 1.396 115.948 114.554 -0.003 0.000 2.930 98 T HA 0.353 4.690 4.350 -0.022 0.000 0.306 98 T C 0.204 174.853 174.700 -0.084 0.000 1.045 98 T CA 0.271 62.347 62.100 -0.039 0.000 1.134 98 T CB 1.255 70.109 68.868 -0.024 0.000 0.961 98 T HN 0.267 nan 8.240 nan 0.000 0.545 99 D N 1.622 121.956 120.400 -0.110 0.000 2.346 99 D HA 0.201 4.828 4.640 -0.022 0.000 0.260 99 D C 1.078 177.270 176.300 -0.180 0.000 1.252 99 D CA -0.282 53.648 54.000 -0.117 0.000 0.895 99 D CB 0.902 41.644 40.800 -0.098 0.000 1.097 99 D HN 0.561 nan 8.370 nan 0.000 0.489 100 A N 4.702 127.436 122.820 -0.144 0.000 1.908 100 A HA -0.208 4.098 4.320 -0.022 0.000 0.218 100 A C 1.788 179.273 177.584 -0.164 0.000 1.181 100 A CA 1.314 53.254 52.037 -0.161 0.000 0.627 100 A CB -0.142 18.804 19.000 -0.091 0.000 0.818 100 A HN 0.609 nan 8.150 nan 0.000 0.445 101 D N -0.289 120.041 120.400 -0.117 0.000 2.123 101 D HA -0.131 4.496 4.640 -0.022 0.000 0.196 101 D C 1.782 178.013 176.300 -0.115 0.000 0.992 101 D CA 1.291 55.233 54.000 -0.096 0.000 0.833 101 D CB -0.270 40.490 40.800 -0.066 0.000 0.954 101 D HN 0.372 nan 8.370 nan 0.000 0.455 102 I N 1.544 122.031 120.570 -0.137 0.000 2.202 102 I HA -0.174 3.983 4.170 -0.022 0.000 0.242 102 I C 2.501 178.490 176.117 -0.214 0.000 1.091 102 I CA 0.621 61.835 61.300 -0.143 0.000 1.368 102 I CB -0.807 37.119 38.000 -0.123 0.000 1.058 102 I HN -0.117 nan 8.210 nan 0.000 0.410 103 A N -0.404 122.191 122.820 -0.375 0.000 1.884 103 A HA -0.339 3.968 4.320 -0.022 0.000 0.219 103 A C 2.363 179.752 177.584 -0.325 0.000 1.197 103 A CA 2.234 53.873 52.037 -0.664 0.000 0.637 103 A CB -0.925 17.297 19.000 -1.297 0.000 0.827 103 A HN 0.529 nan 8.150 nan 0.000 0.450 104 Q N -0.856 118.820 119.800 -0.207 0.000 2.170 104 Q HA -0.113 4.213 4.340 -0.022 0.000 0.203 104 Q C 2.082 178.054 176.000 -0.047 0.000 0.976 104 Q CA 1.625 57.382 55.803 -0.077 0.000 0.858 104 Q CB -0.199 28.506 28.738 -0.055 0.000 0.907 104 Q HN 0.486 nan 8.270 nan 0.000 0.433 105 V N 0.600 120.474 119.914 -0.066 0.000 2.323 105 V HA -0.271 3.836 4.120 -0.022 0.000 0.244 105 V C 2.091 178.169 176.094 -0.026 0.000 1.041 105 V CA 1.789 64.065 62.300 -0.040 0.000 1.025 105 V CB -0.216 31.581 31.823 -0.042 0.000 0.656 105 V HN 0.445 nan 8.190 nan 0.000 0.451 106 Q N -0.746 119.030 119.800 -0.039 0.000 2.061 106 Q HA -0.207 4.120 4.340 -0.022 0.000 0.204 106 Q C 2.271 178.287 176.000 0.027 0.000 0.984 106 Q CA 2.211 58.009 55.803 -0.009 0.000 0.846 106 Q CB -0.435 28.295 28.738 -0.015 0.000 0.902 106 Q HN 0.579 nan 8.270 nan 0.000 0.421 107 V N 0.851 120.795 119.914 0.049 0.000 2.295 107 V HA -0.308 3.799 4.120 -0.022 0.000 0.246 107 V C 2.318 178.439 176.094 0.045 0.000 1.049 107 V CA 2.227 64.576 62.300 0.080 0.000 1.024 107 V CB -0.515 31.387 31.823 0.132 0.000 0.648 107 V HN 0.397 nan 8.190 nan 0.000 0.447 108 Q N 0.756 120.572 119.800 0.027 0.000 2.119 108 Q HA -0.169 4.157 4.340 -0.022 0.000 0.201 108 Q C 1.817 177.826 176.000 0.015 0.000 0.972 108 Q CA 1.980 57.795 55.803 0.019 0.000 0.847 108 Q CB -0.149 28.595 28.738 0.010 0.000 0.903 108 Q HN 0.937 nan 8.270 nan 0.000 0.433 109 N N -1.600 117.107 118.700 0.011 0.000 2.336 109 N HA 0.005 4.732 4.740 -0.022 0.000 0.189 109 N C 1.060 176.577 175.510 0.012 0.000 1.113 109 N CA -0.201 52.854 53.050 0.009 0.000 0.858 109 N CB 0.279 38.768 38.487 0.003 0.000 0.970 109 N HN -0.028 nan 8.380 nan 0.000 0.471 110 K N 1.304 121.715 120.400 0.018 0.000 2.098 110 K HA 0.053 4.360 4.320 -0.022 0.000 0.203 110 K C 2.036 178.647 176.600 0.018 0.000 1.051 110 K CA 0.155 56.453 56.287 0.019 0.000 0.957 110 K CB -0.458 32.058 32.500 0.025 0.000 0.738 110 K HN 0.208 nan 8.250 nan 0.000 0.447 111 L N 1.758 122.994 121.223 0.021 0.000 2.042 111 L HA -0.229 4.098 4.340 -0.022 0.000 0.210 111 L C 2.098 178.977 176.870 0.015 0.000 1.076 111 L CA 1.825 56.677 54.840 0.020 0.000 0.749 111 L CB -0.613 41.460 42.059 0.024 0.000 0.893 111 L HN 0.276 nan 8.230 nan 0.000 0.432 112 Q N -0.389 119.418 119.800 0.013 0.000 2.135 112 Q HA -0.194 4.132 4.340 -0.022 0.000 0.204 112 Q C 2.226 178.230 176.000 0.007 0.000 0.981 112 Q CA 1.782 57.590 55.803 0.009 0.000 0.856 112 Q CB -0.052 28.690 28.738 0.007 0.000 0.902 112 Q HN 0.589 nan 8.270 nan 0.000 0.425 113 L N -0.913 120.314 121.223 0.008 0.000 2.554 113 L HA 0.068 4.395 4.340 -0.022 0.000 0.226 113 L C 1.628 178.502 176.870 0.007 0.000 1.137 113 L CA 0.327 55.171 54.840 0.006 0.000 0.863 113 L CB 0.047 42.110 42.059 0.006 0.000 0.985 113 L HN 0.127 nan 8.230 nan 0.000 0.451 114 A N -1.248 121.578 122.820 0.009 0.000 2.348 114 A HA 0.139 4.446 4.320 -0.022 0.000 0.224 114 A C 2.090 179.679 177.584 0.008 0.000 1.227 114 A CA -0.086 51.956 52.037 0.009 0.000 0.885 114 A CB 0.034 19.041 19.000 0.013 0.000 0.933 114 A HN 0.112 nan 8.150 nan 0.000 0.506 115 M N 0.156 119.760 119.600 0.006 0.000 2.099 115 M HA -0.031 4.436 4.480 -0.022 0.000 0.262 115 M C -0.911 175.388 176.300 -0.002 0.000 1.067 115 M CA 1.324 56.625 55.300 0.002 0.000 1.124 115 M CB -2.147 30.455 32.600 0.002 0.000 1.353 115 M HN 0.086 nan 8.290 nan 0.000 0.410 116 P HA -0.036 nan 4.420 nan 0.000 0.231 116 P C 1.119 178.417 177.300 -0.002 0.000 1.158 116 P CA 0.897 63.994 63.100 -0.004 0.000 0.763 116 P CB -0.045 31.653 31.700 -0.002 0.000 0.805 117 L N -2.533 118.690 121.223 0.001 0.000 2.616 117 L HA 0.171 4.498 4.340 -0.022 0.000 0.229 117 L C 0.844 177.719 176.870 0.007 0.000 1.110 117 L CA 0.406 55.249 54.840 0.005 0.000 0.884 117 L CB -0.420 41.645 42.059 0.009 0.000 1.115 117 L HN -0.104 nan 8.230 nan 0.000 0.481 118 L N 0.732 121.955 121.223 -0.000 0.000 2.379 118 L HA 0.402 4.729 4.340 -0.022 0.000 0.269 118 L C -1.893 174.959 176.870 -0.031 0.000 1.084 118 L CA -2.039 52.798 54.840 -0.006 0.000 0.802 118 L CB 0.389 42.442 42.059 -0.010 0.000 1.175 118 L HN -0.131 nan 8.230 nan 0.000 0.448 119 P HA -0.007 nan 4.420 nan 0.000 0.269 119 P C -0.343 176.877 177.300 -0.134 0.000 1.217 119 P CA -0.193 62.852 63.100 -0.091 0.000 0.783 119 P CB 0.629 32.240 31.700 -0.147 0.000 0.898 120 Q N 0.888 120.626 119.800 -0.104 0.000 2.172 120 Q HA -0.154 4.173 4.340 -0.022 0.000 0.200 120 Q C 1.657 177.589 176.000 -0.115 0.000 0.964 120 Q CA 1.556 57.306 55.803 -0.088 0.000 0.855 120 Q CB -0.147 28.555 28.738 -0.060 0.000 0.918 120 Q HN 0.544 nan 8.270 nan 0.000 0.444 121 E N 0.383 120.478 120.200 -0.175 0.000 2.110 121 E HA -0.133 4.204 4.350 -0.022 0.000 0.193 121 E C 2.068 178.555 176.600 -0.188 0.000 0.988 121 E CA 1.003 57.299 56.400 -0.173 0.000 0.804 121 E CB -0.150 29.416 29.700 -0.225 0.000 0.745 121 E HN 0.062 nan 8.360 nan 0.000 0.458 122 V N 0.729 120.450 119.914 -0.322 0.000 2.379 122 V HA -0.250 3.857 4.120 -0.022 0.000 0.245 122 V C 2.198 178.250 176.094 -0.071 0.000 1.044 122 V CA 1.718 63.897 62.300 -0.202 0.000 1.036 122 V CB -0.487 31.198 31.823 -0.229 0.000 0.664 122 V HN 0.246 nan 8.190 nan 0.000 0.453 123 Q N 0.234 119.992 119.800 -0.070 0.000 2.061 123 Q HA -0.296 4.030 4.340 -0.022 0.000 0.204 123 Q C 2.365 178.369 176.000 0.006 0.000 0.984 123 Q CA 2.162 57.949 55.803 -0.027 0.000 0.846 123 Q CB -0.219 28.499 28.738 -0.032 0.000 0.902 123 Q HN 0.857 nan 8.270 nan 0.000 0.421 124 Q N -0.230 119.577 119.800 0.011 0.000 2.369 124 Q HA -0.172 4.155 4.340 -0.022 0.000 0.206 124 Q C 1.736 177.855 176.000 0.198 0.000 0.963 124 Q CA 1.005 56.852 55.803 0.073 0.000 0.894 124 Q CB 0.006 28.741 28.738 -0.006 0.000 0.965 124 Q HN 0.174 nan 8.270 nan 0.000 0.475 125 Q N 0.962 120.846 119.800 0.141 0.000 2.187 125 Q HA 0.160 4.487 4.340 -0.022 0.000 0.199 125 Q C 0.327 176.369 176.000 0.071 0.000 0.957 125 Q CA 1.380 57.256 55.803 0.122 0.000 0.857 125 Q CB 0.233 29.029 28.738 0.098 0.000 0.929 125 Q HN 0.571 nan 8.270 nan 0.000 0.453 126 G N -1.521 107.312 108.800 0.055 0.000 2.619 126 G HA2 -0.071 3.876 3.960 -0.022 0.000 0.686 126 G HA3 -0.071 3.876 3.960 -0.022 0.000 0.686 126 G C -1.419 173.502 174.900 0.035 0.000 1.256 126 G CA -0.531 44.593 45.100 0.040 0.000 0.826 126 G HN 0.236 nan 8.290 nan 0.000 0.619 127 V N 0.972 120.904 119.914 0.030 0.000 2.482 127 V HA 0.616 4.723 4.120 -0.022 0.000 0.295 127 V C 0.526 176.639 176.094 0.032 0.000 1.026 127 V CA -0.483 61.837 62.300 0.033 0.000 0.856 127 V CB 1.660 33.500 31.823 0.029 0.000 1.001 127 V HN 1.043 nan 8.190 nan 0.000 0.424 128 S N 3.352 119.074 115.700 0.037 0.000 2.565 128 S HA 0.621 5.078 4.470 -0.022 0.000 0.274 128 S C -0.253 174.369 174.600 0.037 0.000 1.309 128 S CA -0.364 57.856 58.200 0.035 0.000 1.043 128 S CB 1.483 64.706 63.200 0.038 0.000 0.939 128 S HN 0.498 nan 8.310 nan 0.000 0.504 129 V N 3.628 123.561 119.914 0.032 0.000 2.482 129 V HA 0.478 4.584 4.120 -0.022 0.000 0.295 129 V C -0.441 175.670 176.094 0.028 0.000 1.026 129 V CA -0.462 61.859 62.300 0.034 0.000 0.856 129 V CB 1.724 33.566 31.823 0.032 0.000 1.001 129 V HN 0.893 nan 8.190 nan 0.000 0.424 130 E N 2.613 122.833 120.200 0.034 0.000 2.383 130 E HA 0.520 4.857 4.350 -0.022 0.000 0.275 130 E C -1.329 175.286 176.600 0.025 0.000 0.918 130 E CA -1.166 55.249 56.400 0.024 0.000 0.764 130 E CB 2.708 32.423 29.700 0.025 0.000 1.252 130 E HN 0.417 nan 8.360 nan 0.000 0.449 131 K N 0.536 120.941 120.400 0.008 0.000 2.350 131 K HA 0.128 4.434 4.320 -0.022 0.000 0.279 131 K C 0.512 177.112 176.600 -0.001 0.000 1.027 131 K CA 0.191 56.481 56.287 0.005 0.000 0.969 131 K CB 0.832 33.322 32.500 -0.016 0.000 0.954 131 K HN 0.332 nan 8.250 nan 0.000 0.474 132 S N 1.736 117.441 115.700 0.010 0.000 2.568 132 S HA -0.004 4.453 4.470 -0.022 0.000 0.232 132 S C -0.144 174.445 174.600 -0.019 0.000 0.975 132 S CA -0.287 57.919 58.200 0.009 0.000 0.949 132 S CB -0.198 63.026 63.200 0.040 0.000 0.829 132 S HN 0.555 nan 8.310 nan 0.000 0.479 133 S N 1.455 117.128 115.700 -0.044 0.000 2.643 133 S HA 0.117 4.574 4.470 -0.022 0.000 0.329 133 S C 0.938 175.452 174.600 -0.144 0.000 1.193 133 S CA -0.181 57.978 58.200 -0.067 0.000 1.293 133 S CB 0.043 63.206 63.200 -0.061 0.000 1.205 133 S HN 0.338 nan 8.310 nan 0.000 0.550 134 S N 3.407 119.044 115.700 -0.106 0.000 2.528 134 S HA -0.056 4.401 4.470 -0.022 0.000 0.244 134 S C 0.987 175.442 174.600 -0.242 0.000 0.982 134 S CA 0.399 58.512 58.200 -0.145 0.000 0.953 134 S CB -0.326 62.887 63.200 0.022 0.000 0.754 134 S HN 0.789 nan 8.310 nan 0.000 0.529 135 S N 1.466 117.065 115.700 -0.169 0.000 2.555 135 S HA 0.218 4.675 4.470 -0.022 0.000 0.293 135 S C -0.306 174.158 174.600 -0.227 0.000 1.248 135 S CA 0.092 58.251 58.200 -0.070 0.000 1.096 135 S CB -0.241 62.961 63.200 0.004 0.000 0.881 135 S HN 0.220 nan 8.310 nan 0.000 0.498 136 F N 3.432 123.497 119.950 0.190 0.000 2.480 136 F HA 0.375 4.891 4.527 -0.019 0.000 0.329 136 F C 0.770 176.713 175.800 0.239 0.000 1.091 136 F CA -0.867 57.257 58.000 0.206 0.000 0.972 136 F CB 1.339 40.482 39.000 0.238 0.000 1.150 136 F HN 0.424 nan 8.300 nan 0.000 0.467 137 L N 2.429 123.854 121.223 0.336 0.000 2.209 137 L HA 0.298 4.624 4.340 -0.022 0.000 0.207 137 L C -0.001 176.955 176.870 0.144 0.000 1.094 137 L CA 1.512 56.470 54.840 0.196 0.000 0.790 137 L CB -0.069 42.068 42.059 0.130 0.000 0.932 137 L HN 0.653 nan 8.230 nan 0.000 0.447 138 M N -1.358 118.378 119.600 0.227 0.000 2.523 138 M HA 0.380 4.847 4.480 -0.022 0.000 0.287 138 M C -1.991 174.409 176.300 0.168 0.000 1.160 138 M CA -0.546 54.846 55.300 0.153 0.000 0.902 138 M CB 1.970 34.639 32.600 0.116 0.000 1.752 138 M HN -0.370 nan 8.290 nan 0.000 0.504 139 V N 3.841 123.847 119.914 0.152 0.000 2.407 139 V HA 0.502 4.608 4.120 -0.022 0.000 0.291 139 V C -0.775 175.325 176.094 0.010 0.000 1.018 139 V CA -0.706 61.586 62.300 -0.014 0.000 0.842 139 V CB 1.817 33.577 31.823 -0.105 0.000 0.996 139 V HN 0.626 nan 8.190 nan 0.000 0.426 140 V N 4.283 124.145 119.914 -0.087 0.000 2.383 140 V HA 0.621 4.728 4.120 -0.022 0.000 0.275 140 V C 0.878 176.867 176.094 -0.175 0.000 1.036 140 V CA -0.249 61.959 62.300 -0.153 0.000 0.889 140 V CB 1.549 33.279 31.823 -0.155 0.000 0.985 140 V HN 0.927 nan 8.190 nan 0.000 0.459 141 G N 3.774 112.474 108.800 -0.167 0.000 2.356 141 G HA2 0.546 4.493 3.960 -0.022 0.000 0.298 141 G HA3 0.546 4.493 3.960 -0.022 0.000 0.298 141 G C -0.867 173.911 174.900 -0.203 0.000 1.145 141 G CA -0.309 44.771 45.100 -0.033 0.000 0.850 141 G HN 0.546 nan 8.290 nan 0.000 0.487 142 V N 3.800 123.639 119.914 -0.126 0.000 2.378 142 V HA 0.528 4.634 4.120 -0.022 0.000 0.288 142 V C 0.116 176.100 176.094 -0.182 0.000 1.016 142 V CA -0.496 61.680 62.300 -0.205 0.000 0.840 142 V CB 0.801 32.509 31.823 -0.192 0.000 0.994 142 V HN 0.752 nan 8.190 nan 0.000 0.431 143 I N 1.538 121.964 120.570 -0.240 0.000 2.892 143 I HA 0.673 4.830 4.170 -0.022 0.000 0.306 143 I C -0.537 175.483 176.117 -0.161 0.000 1.078 143 I CA -0.755 60.433 61.300 -0.186 0.000 1.032 143 I CB 2.292 40.167 38.000 -0.208 0.000 1.229 143 I HN 0.480 nan 8.210 nan 0.000 0.435 144 N N 1.483 120.118 118.700 -0.109 0.000 2.362 144 N HA 0.361 5.087 4.740 -0.022 0.000 0.298 144 N C 0.042 175.523 175.510 -0.048 0.000 1.048 144 N CA -0.139 52.857 53.050 -0.090 0.000 0.858 144 N CB 2.140 40.577 38.487 -0.083 0.000 1.218 144 N HN 0.930 nan 8.380 nan 0.000 0.488 145 T N -1.050 113.482 114.554 -0.038 0.000 2.985 145 T HA 0.158 4.495 4.350 -0.022 0.000 0.254 145 T C 0.536 175.230 174.700 -0.010 0.000 1.021 145 T CA 0.087 62.180 62.100 -0.012 0.000 0.957 145 T CB 0.240 69.106 68.868 -0.002 0.000 1.047 145 T HN 0.276 nan 8.240 nan 0.000 0.511 146 D N 1.848 122.237 120.400 -0.018 0.000 2.317 146 D HA 0.246 4.872 4.640 -0.022 0.000 0.211 146 D C 1.747 178.042 176.300 -0.008 0.000 0.966 146 D CA 1.242 55.234 54.000 -0.012 0.000 0.876 146 D CB -0.419 40.372 40.800 -0.015 0.000 0.927 146 D HN 0.602 nan 8.370 nan 0.000 0.519 147 G N -0.073 108.721 108.800 -0.011 0.000 2.176 147 G HA2 -0.312 3.635 3.960 -0.022 0.000 0.252 147 G HA3 -0.312 3.635 3.960 -0.022 0.000 0.252 147 G C 1.081 175.980 174.900 -0.002 0.000 1.024 147 G CA 0.978 46.075 45.100 -0.006 0.000 0.755 147 G HN 0.354 nan 8.290 nan 0.000 0.507 148 T N -0.427 114.123 114.554 -0.006 0.000 3.021 148 T HA 0.368 4.705 4.350 -0.022 0.000 0.245 148 T C 1.319 176.025 174.700 0.011 0.000 1.028 148 T CA 1.244 63.345 62.100 0.001 0.000 1.139 148 T CB 0.071 68.936 68.868 -0.004 0.000 0.884 148 T HN 0.772 nan 8.240 nan 0.000 0.457 149 M N 2.072 121.671 119.600 -0.001 0.000 2.436 149 M HA 0.655 5.121 4.480 -0.022 0.000 0.331 149 M C -0.295 176.016 176.300 0.018 0.000 1.135 149 M CA -1.060 54.250 55.300 0.016 0.000 0.987 149 M CB 1.604 34.201 32.600 -0.006 0.000 1.687 149 M HN -0.033 nan 8.290 nan 0.000 0.445 150 T N -1.333 113.252 114.554 0.052 0.000 2.881 150 T HA 0.224 4.561 4.350 -0.022 0.000 0.278 150 T C 1.050 175.778 174.700 0.046 0.000 0.982 150 T CA -0.397 61.736 62.100 0.054 0.000 0.989 150 T CB 1.157 70.079 68.868 0.091 0.000 1.058 150 T HN 0.924 nan 8.240 nan 0.000 0.529 151 Q N 0.109 119.931 119.800 0.036 0.000 2.297 151 Q HA -0.225 4.102 4.340 -0.022 0.000 0.208 151 Q C 1.383 177.396 176.000 0.021 0.000 0.981 151 Q CA 1.804 57.618 55.803 0.019 0.000 0.876 151 Q CB -0.390 28.360 28.738 0.019 0.000 0.921 151 Q HN 0.776 nan 8.270 nan 0.000 0.446 152 E N 1.500 121.735 120.200 0.059 0.000 2.072 152 E HA -0.136 4.200 4.350 -0.022 0.000 0.190 152 E C 1.656 178.301 176.600 0.076 0.000 0.982 152 E CA 1.456 57.903 56.400 0.079 0.000 0.803 152 E CB -0.052 29.746 29.700 0.162 0.000 0.755 152 E HN 0.475 nan 8.360 nan 0.000 0.453 153 D N 0.368 120.857 120.400 0.147 0.000 2.097 153 D HA -0.130 4.496 4.640 -0.022 0.000 0.195 153 D C 2.081 178.351 176.300 -0.050 0.000 0.989 153 D CA 0.852 54.917 54.000 0.108 0.000 0.827 153 D CB -0.277 40.630 40.800 0.178 0.000 0.966 153 D HN 0.195 nan 8.370 nan 0.000 0.456 154 I N 1.121 121.673 120.570 -0.031 0.000 2.127 154 I HA -0.288 3.869 4.170 -0.022 0.000 0.241 154 I C 2.479 178.567 176.117 -0.049 0.000 1.075 154 I CA 0.999 62.268 61.300 -0.052 0.000 1.334 154 I CB -0.354 37.609 38.000 -0.061 0.000 1.040 154 I HN -0.097 nan 8.210 nan 0.000 0.405 155 S N 0.245 115.904 115.700 -0.067 0.000 2.365 155 S HA -0.303 4.153 4.470 -0.022 0.000 0.225 155 S C 1.692 176.206 174.600 -0.144 0.000 1.039 155 S CA 2.166 60.318 58.200 -0.080 0.000 1.033 155 S CB -0.475 62.687 63.200 -0.062 0.000 0.887 155 S HN 0.534 nan 8.310 nan 0.000 0.447 156 D N -0.495 119.737 120.400 -0.281 0.000 2.144 156 D HA -0.134 4.493 4.640 -0.022 0.000 0.200 156 D C 1.738 177.890 176.300 -0.246 0.000 0.978 156 D CA 0.814 54.568 54.000 -0.411 0.000 0.833 156 D CB -0.175 39.971 40.800 -1.091 0.000 0.961 156 D HN 0.483 nan 8.370 nan 0.000 0.470 157 Y N 0.221 120.363 120.300 -0.263 0.000 2.181 157 Y HA -0.155 4.382 4.550 -0.022 0.000 0.288 157 Y C 2.068 177.889 175.900 -0.131 0.000 1.146 157 Y CA 1.312 59.317 58.100 -0.158 0.000 1.164 157 Y CB -0.263 38.117 38.460 -0.133 0.000 0.982 157 Y HN -0.089 nan 8.280 nan 0.000 0.515 158 V N 0.277 120.170 119.914 -0.035 0.000 2.343 158 V HA -0.328 3.779 4.120 -0.022 0.000 0.247 158 V C 2.633 178.638 176.094 -0.149 0.000 1.051 158 V CA 1.717 63.962 62.300 -0.092 0.000 1.036 158 V CB -1.564 30.214 31.823 -0.074 0.000 0.654 158 V HN 0.558 nan 8.190 nan 0.000 0.451 159 A N 0.037 122.768 122.820 -0.148 0.000 1.877 159 A HA -0.080 4.227 4.320 -0.022 0.000 0.216 159 A C 2.303 179.794 177.584 -0.155 0.000 1.186 159 A CA 2.144 54.098 52.037 -0.138 0.000 0.620 159 A CB -0.684 18.239 19.000 -0.127 0.000 0.822 159 A HN 0.588 nan 8.150 nan 0.000 0.443 160 A N -1.454 121.246 122.820 -0.199 0.000 2.132 160 A HA 0.091 4.398 4.320 -0.022 0.000 0.213 160 A C 1.347 178.786 177.584 -0.241 0.000 1.154 160 A CA 1.000 52.920 52.037 -0.194 0.000 0.753 160 A CB -0.069 18.826 19.000 -0.174 0.000 0.826 160 A HN 0.509 nan 8.150 nan 0.000 0.469 161 N N -2.204 116.295 118.700 -0.335 0.000 2.143 161 N HA 0.324 5.051 4.740 -0.022 0.000 0.229 161 N C 0.597 175.987 175.510 -0.200 0.000 1.294 161 N CA 0.249 53.089 53.050 -0.350 0.000 0.883 161 N CB 0.848 38.923 38.487 -0.687 0.000 1.148 161 N HN 0.409 nan 8.380 nan 0.000 0.511 162 M N -0.518 118.992 119.600 -0.151 0.000 1.943 162 M HA 0.120 4.587 4.480 -0.022 0.000 0.186 162 M C 1.808 178.070 176.300 -0.064 0.000 1.568 162 M CA 0.233 55.496 55.300 -0.062 0.000 0.920 162 M CB 0.701 33.283 32.600 -0.029 0.000 1.543 162 M HN -0.192 nan 8.290 nan 0.000 0.584 163 K N 1.311 121.660 120.400 -0.086 0.000 2.015 163 K HA -0.245 4.062 4.320 -0.022 0.000 0.216 163 K C 1.066 177.629 176.600 -0.063 0.000 1.052 163 K CA 2.761 59.000 56.287 -0.079 0.000 0.937 163 K CB -0.111 32.334 32.500 -0.090 0.000 0.719 163 K HN 0.169 nan 8.250 nan 0.000 0.446 164 D N -0.008 120.351 120.400 -0.068 0.000 2.133 164 D HA -0.205 4.421 4.640 -0.022 0.000 0.192 164 D C 1.789 178.061 176.300 -0.046 0.000 1.001 164 D CA 1.802 55.768 54.000 -0.057 0.000 0.844 164 D CB -0.387 40.375 40.800 -0.064 0.000 0.944 164 D HN 0.450 nan 8.370 nan 0.000 0.447 165 A N -0.161 122.630 122.820 -0.048 0.000 1.930 165 A HA -0.093 4.214 4.320 -0.022 0.000 0.217 165 A C 2.192 179.764 177.584 -0.019 0.000 1.175 165 A CA 0.816 52.831 52.037 -0.036 0.000 0.627 165 A CB -0.533 18.444 19.000 -0.038 0.000 0.815 165 A HN 0.138 nan 8.150 nan 0.000 0.443 166 I N 0.718 121.277 120.570 -0.017 0.000 2.252 166 I HA -0.205 3.952 4.170 -0.022 0.000 0.245 166 I C 2.812 178.924 176.117 -0.009 0.000 1.102 166 I CA 1.788 63.085 61.300 -0.006 0.000 1.385 166 I CB -0.183 37.812 38.000 -0.009 0.000 1.064 166 I HN 0.451 nan 8.210 nan 0.000 0.414 167 S N 0.344 116.033 115.700 -0.019 0.000 2.447 167 S HA -0.126 4.330 4.470 -0.022 0.000 0.233 167 S C 2.127 176.719 174.600 -0.013 0.000 1.006 167 S CA 0.628 58.818 58.200 -0.016 0.000 0.957 167 S CB -0.476 62.710 63.200 -0.023 0.000 0.773 167 S HN 0.384 nan 8.310 nan 0.000 0.507 168 R N 1.104 121.594 120.500 -0.016 0.000 2.148 168 R HA 0.075 4.401 4.340 -0.022 0.000 0.223 168 R C 0.316 176.611 176.300 -0.008 0.000 1.088 168 R CA 0.874 56.966 56.100 -0.015 0.000 0.985 168 R CB -0.633 29.655 30.300 -0.020 0.000 0.880 168 R HN 0.374 nan 8.270 nan 0.000 0.451 169 T N 1.740 116.292 114.554 -0.004 0.000 2.946 169 T HA -0.011 4.326 4.350 -0.022 0.000 0.311 169 T C 0.377 175.079 174.700 0.003 0.000 1.063 169 T CA 0.005 62.106 62.100 0.002 0.000 1.139 169 T CB 0.961 69.835 68.868 0.010 0.000 0.994 169 T HN 0.207 nan 8.240 nan 0.000 0.547 170 S N 1.674 117.376 115.700 0.003 0.000 2.505 170 S HA 0.489 4.945 4.470 -0.022 0.000 0.276 170 S C 1.423 176.027 174.600 0.007 0.000 1.274 170 S CA -0.299 57.903 58.200 0.003 0.000 1.053 170 S CB 0.658 63.859 63.200 0.001 0.000 0.919 170 S HN 1.376 nan 8.310 nan 0.000 0.490 171 G N 1.395 110.199 108.800 0.007 0.000 2.176 171 G HA2 -0.223 3.723 3.960 -0.022 0.000 0.232 171 G HA3 -0.223 3.723 3.960 -0.022 0.000 0.232 171 G C -0.072 174.837 174.900 0.016 0.000 0.986 171 G CA -0.175 44.931 45.100 0.011 0.000 0.643 171 G HN 1.048 nan 8.290 nan 0.000 0.522 172 V N 1.398 121.320 119.914 0.014 0.000 2.385 172 V HA 0.609 4.715 4.120 -0.022 0.000 0.269 172 V C 1.488 177.589 176.094 0.012 0.000 1.043 172 V CA 0.698 63.009 62.300 0.018 0.000 0.906 172 V CB 1.139 32.972 31.823 0.016 0.000 0.995 172 V HN 0.529 nan 8.190 nan 0.000 0.467 173 G N 3.361 112.169 108.800 0.014 0.000 2.887 173 G HA2 0.226 4.172 3.960 -0.022 0.000 0.211 173 G HA3 0.226 4.172 3.960 -0.022 0.000 0.211 173 G C -0.040 174.861 174.900 0.002 0.000 1.152 173 G CA 0.172 45.275 45.100 0.005 0.000 0.769 173 G HN 0.669 nan 8.290 nan 0.000 0.541 174 D N -1.462 118.944 120.400 0.011 0.000 2.747 174 D HA 0.364 4.991 4.640 -0.022 0.000 0.218 174 D C -1.337 174.979 176.300 0.026 0.000 1.230 174 D CA -0.291 53.717 54.000 0.012 0.000 0.774 174 D CB 2.175 42.978 40.800 0.004 0.000 1.667 174 D HN -0.079 nan 8.370 nan 0.000 0.499 175 V N 2.858 122.776 119.914 0.007 0.000 2.419 175 V HA 0.410 4.517 4.120 -0.022 0.000 0.287 175 V C -0.425 175.644 176.094 -0.041 0.000 1.017 175 V CA -0.787 61.501 62.300 -0.021 0.000 0.844 175 V CB 1.485 33.279 31.823 -0.047 0.000 1.011 175 V HN 0.526 nan 8.190 nan 0.000 0.429 176 Q N 4.035 123.807 119.800 -0.046 0.000 2.274 176 Q HA 0.516 4.843 4.340 -0.022 0.000 0.256 176 Q C -0.937 174.906 176.000 -0.262 0.000 0.927 176 Q CA -0.500 55.264 55.803 -0.064 0.000 0.939 176 Q CB 1.752 30.542 28.738 0.087 0.000 1.201 176 Q HN 0.723 nan 8.270 nan 0.000 0.426 177 L N 5.102 126.229 121.223 -0.159 0.000 2.349 177 L HA 0.280 4.606 4.340 -0.022 0.000 0.275 177 L C -0.815 176.036 176.870 -0.031 0.000 1.115 177 L CA -0.139 54.593 54.840 -0.180 0.000 0.820 177 L CB 0.387 42.394 42.059 -0.086 0.000 1.135 177 L HN 0.762 nan 8.230 nan 0.000 0.445 178 F N 4.222 124.118 119.950 -0.090 0.000 2.351 178 F HA 0.474 4.987 4.527 -0.022 0.000 0.362 178 F C 0.952 176.715 175.800 -0.061 0.000 1.131 178 F CA -0.295 57.652 58.000 -0.089 0.000 1.187 178 F CB 0.827 39.773 39.000 -0.091 0.000 1.434 178 F HN 0.687 nan 8.300 nan 0.000 0.553 179 G N 1.163 110.034 108.800 0.119 0.000 2.347 179 G HA2 0.066 4.013 3.960 -0.022 0.000 0.341 179 G HA3 0.066 4.013 3.960 -0.022 0.000 0.341 179 G C -1.480 173.415 174.900 -0.009 0.000 1.287 179 G CA -1.167 43.951 45.100 0.030 0.000 0.984 179 G HN 0.436 nan 8.290 nan 0.000 0.526 180 S N -0.505 115.171 115.700 -0.039 0.000 2.578 180 S HA 0.671 5.128 4.470 -0.022 0.000 0.301 180 S C 0.075 174.643 174.600 -0.054 0.000 1.091 180 S CA -0.606 57.569 58.200 -0.041 0.000 1.032 180 S CB 2.015 65.185 63.200 -0.049 0.000 1.064 180 S HN 0.856 nan 8.310 nan 0.000 0.508 181 Q N 0.299 120.073 119.800 -0.044 0.000 2.432 181 Q HA 0.113 4.440 4.340 -0.022 0.000 0.264 181 Q C -0.915 175.112 176.000 0.045 0.000 1.035 181 Q CA -0.212 55.559 55.803 -0.053 0.000 0.908 181 Q CB 0.224 28.940 28.738 -0.036 0.000 1.280 181 Q HN 0.640 nan 8.270 nan 0.000 0.455 182 Y N 0.289 120.606 120.300 0.029 0.000 2.757 182 Y HA 0.123 4.660 4.550 -0.022 0.000 0.344 182 Y C 0.302 176.276 175.900 0.124 0.000 1.263 182 Y CA 0.284 58.430 58.100 0.077 0.000 1.493 182 Y CB 0.343 38.874 38.460 0.118 0.000 1.342 182 Y HN 0.611 nan 8.280 nan 0.000 0.627 183 A N 3.385 126.407 122.820 0.336 0.000 2.414 183 A HA 0.600 4.906 4.320 -0.022 0.000 0.306 183 A C -0.844 176.823 177.584 0.139 0.000 1.054 183 A CA -1.018 51.194 52.037 0.291 0.000 0.724 183 A CB 1.070 20.234 19.000 0.272 0.000 1.267 183 A HN 0.690 nan 8.150 nan 0.000 0.418 184 M N 1.741 121.338 119.600 -0.005 0.000 2.307 184 M HA 0.351 4.818 4.480 -0.022 0.000 0.346 184 M C -0.091 175.993 176.300 -0.360 0.000 1.552 184 M CA 0.472 55.447 55.300 -0.542 0.000 1.116 184 M CB -0.476 31.297 32.600 -1.378 0.000 1.889 184 M HN 0.539 nan 8.290 nan 0.000 0.460 185 R N 5.019 125.316 120.500 -0.340 0.000 2.310 185 R HA 0.593 4.920 4.340 -0.022 0.000 0.324 185 R C -1.511 174.451 176.300 -0.563 0.000 0.955 185 R CA -0.158 55.675 56.100 -0.445 0.000 0.830 185 R CB 0.594 30.699 30.300 -0.325 0.000 1.154 185 R HN 0.795 nan 8.270 nan 0.000 0.458 186 I N 4.361 124.590 120.570 -0.568 0.000 2.359 186 I HA 0.322 4.479 4.170 -0.022 0.000 0.284 186 I C -0.708 175.203 176.117 -0.344 0.000 1.018 186 I CA -0.390 60.706 61.300 -0.340 0.000 1.173 186 I CB 0.919 38.818 38.000 -0.168 0.000 1.326 186 I HN 0.436 nan 8.210 nan 0.000 0.462 187 W N 7.256 128.581 121.300 0.041 0.000 2.335 187 W HA 0.547 5.194 4.660 -0.022 0.000 0.307 187 W C -0.046 176.528 176.519 0.091 0.000 1.117 187 W CA -0.628 56.752 57.345 0.060 0.000 1.228 187 W CB 0.635 30.116 29.460 0.034 0.000 1.240 187 W HN 0.208 nan 8.180 nan 0.000 0.468 188 M N 3.428 123.225 119.600 0.329 0.000 2.277 188 M HA 0.186 4.653 4.480 -0.022 0.000 0.350 188 M C 0.167 176.601 176.300 0.222 0.000 1.180 188 M CA -0.363 55.100 55.300 0.271 0.000 1.103 188 M CB 0.896 33.692 32.600 0.327 0.000 1.577 188 M HN 0.350 nan 8.290 nan 0.000 0.459 189 N N 3.834 122.556 118.700 0.037 0.000 2.444 189 N HA 0.317 5.044 4.740 -0.022 0.000 0.262 189 N C -2.194 173.036 175.510 -0.466 0.000 0.974 189 N CA -1.789 51.075 53.050 -0.312 0.000 0.933 189 N CB 1.976 40.352 38.487 -0.184 0.000 1.137 189 N HN 0.327 nan 8.380 nan 0.000 0.498 190 P HA -0.030 nan 4.420 nan 0.000 0.218 190 P C 0.656 177.610 177.300 -0.577 0.000 1.152 190 P CA 0.885 63.368 63.100 -1.028 0.000 0.826 190 P CB 0.633 31.140 31.700 -1.988 0.000 0.790 191 N N 0.939 119.298 118.700 -0.569 0.000 2.043 191 N HA -0.169 4.558 4.740 -0.022 0.000 0.193 191 N C 1.760 177.100 175.510 -0.284 0.000 1.037 191 N CA 1.416 54.260 53.050 -0.344 0.000 0.851 191 N CB -0.840 37.489 38.487 -0.264 0.000 1.027 191 N HN 0.372 nan 8.380 nan 0.000 0.422 192 E N 0.431 120.486 120.200 -0.241 0.000 2.150 192 E HA -0.041 4.295 4.350 -0.022 0.000 0.193 192 E C 2.094 178.656 176.600 -0.063 0.000 0.985 192 E CA 0.355 56.668 56.400 -0.144 0.000 0.814 192 E CB -0.081 29.620 29.700 0.002 0.000 0.752 192 E HN 0.292 nan 8.360 nan 0.000 0.466 193 L N 1.123 122.314 121.223 -0.053 0.000 2.027 193 L HA -0.189 4.138 4.340 -0.022 0.000 0.206 193 L C 2.447 179.310 176.870 -0.011 0.000 1.074 193 L CA 1.052 55.919 54.840 0.045 0.000 0.745 193 L CB -0.397 41.703 42.059 0.068 0.000 0.898 193 L HN 0.222 nan 8.230 nan 0.000 0.433 194 N N 0.025 118.647 118.700 -0.130 0.000 2.309 194 N HA -0.220 4.506 4.740 -0.022 0.000 0.182 194 N C 1.869 177.223 175.510 -0.260 0.000 1.018 194 N CA 0.733 53.656 53.050 -0.212 0.000 0.876 194 N CB 0.208 38.468 38.487 -0.377 0.000 0.972 194 N HN 0.250 nan 8.380 nan 0.000 0.434 195 K N 0.090 120.286 120.400 -0.340 0.000 2.002 195 K HA -0.097 4.210 4.320 -0.022 0.000 0.209 195 K C 0.723 177.024 176.600 -0.498 0.000 1.048 195 K CA 1.373 57.351 56.287 -0.515 0.000 0.930 195 K CB -0.048 31.974 32.500 -0.797 0.000 0.714 195 K HN 0.128 nan 8.250 nan 0.000 0.438 196 F N 1.293 121.212 119.950 -0.051 0.000 2.664 196 F HA 0.178 4.691 4.527 -0.022 0.000 0.301 196 F C -0.144 175.643 175.800 -0.021 0.000 1.126 196 F CA -0.281 57.701 58.000 -0.030 0.000 1.373 196 F CB 0.071 39.061 39.000 -0.017 0.000 1.042 196 F HN 0.066 nan 8.300 nan 0.000 0.535 197 Q N 0.420 120.253 119.800 0.054 0.000 2.475 197 Q HA -0.199 4.128 4.340 -0.022 0.000 0.280 197 Q C -0.726 175.328 176.000 0.089 0.000 1.234 197 Q CA 0.391 56.218 55.803 0.041 0.000 0.873 197 Q CB -2.002 26.756 28.738 0.033 0.000 1.256 197 Q HN 0.520 nan 8.270 nan 0.000 0.475 198 L N -0.232 121.063 121.223 0.121 0.000 2.319 198 L HA 0.713 5.040 4.340 -0.022 0.000 0.267 198 L C 0.746 177.713 176.870 0.163 0.000 1.011 198 L CA -0.675 54.245 54.840 0.133 0.000 0.818 198 L CB 1.850 43.992 42.059 0.138 0.000 1.316 198 L HN 0.151 nan 8.230 nan 0.000 0.432 199 T N -2.972 111.682 114.554 0.166 0.000 2.949 199 T HA 0.420 4.756 4.350 -0.022 0.000 0.287 199 T C -2.260 172.559 174.700 0.199 0.000 1.034 199 T CA -2.030 60.201 62.100 0.219 0.000 1.018 199 T CB 1.834 70.820 68.868 0.197 0.000 1.135 199 T HN 0.239 nan 8.240 nan 0.000 0.532 200 P HA -0.126 nan 4.420 nan 0.000 0.217 200 P C 1.744 179.113 177.300 0.115 0.000 1.148 200 P CA 0.658 63.859 63.100 0.168 0.000 0.834 200 P CB -0.296 31.493 31.700 0.148 0.000 0.783 201 V N 0.557 120.537 119.914 0.109 0.000 2.332 201 V HA -0.264 3.842 4.120 -0.022 0.000 0.248 201 V C 1.987 178.119 176.094 0.062 0.000 1.055 201 V CA 2.201 64.545 62.300 0.074 0.000 1.038 201 V CB -1.259 30.603 31.823 0.065 0.000 0.651 201 V HN 0.168 nan 8.190 nan 0.000 0.450 202 D N 0.102 120.546 120.400 0.074 0.000 2.144 202 D HA -0.112 4.515 4.640 -0.022 0.000 0.200 202 D C 2.236 178.569 176.300 0.055 0.000 0.978 202 D CA 1.264 55.300 54.000 0.060 0.000 0.833 202 D CB -0.231 40.609 40.800 0.068 0.000 0.961 202 D HN 0.368 nan 8.370 nan 0.000 0.470 203 V N 1.520 121.479 119.914 0.075 0.000 2.332 203 V HA -0.230 3.877 4.120 -0.022 0.000 0.248 203 V C 2.537 178.664 176.094 0.055 0.000 1.055 203 V CA 1.205 63.547 62.300 0.071 0.000 1.038 203 V CB -0.354 31.526 31.823 0.095 0.000 0.651 203 V HN 0.149 nan 8.190 nan 0.000 0.450 204 I N -0.346 120.254 120.570 0.051 0.000 2.163 204 I HA -0.215 3.942 4.170 -0.022 0.000 0.240 204 I C 2.579 178.707 176.117 0.019 0.000 1.081 204 I CA 1.852 63.172 61.300 0.033 0.000 1.353 204 I CB -0.809 37.208 38.000 0.028 0.000 1.054 204 I HN 0.275 nan 8.210 nan 0.000 0.407 205 T N 1.009 115.574 114.554 0.018 0.000 2.653 205 T HA -0.278 4.059 4.350 -0.022 0.000 0.268 205 T C 2.060 176.760 174.700 0.000 0.000 1.035 205 T CA 1.754 63.858 62.100 0.006 0.000 1.154 205 T CB -0.496 68.378 68.868 0.009 0.000 0.862 205 T HN 0.502 nan 8.240 nan 0.000 0.441 206 A N 1.041 123.865 122.820 0.005 0.000 1.883 206 A HA -0.086 4.221 4.320 -0.022 0.000 0.217 206 A C 2.320 179.896 177.584 -0.014 0.000 1.186 206 A CA 1.561 53.594 52.037 -0.006 0.000 0.624 206 A CB -0.877 18.122 19.000 -0.001 0.000 0.822 206 A HN 0.549 nan 8.150 nan 0.000 0.444 207 I N -0.614 119.961 120.570 0.009 0.000 2.208 207 I HA -0.290 3.867 4.170 -0.022 0.000 0.245 207 I C 2.495 178.608 176.117 -0.006 0.000 1.097 207 I CA 1.729 63.040 61.300 0.019 0.000 1.363 207 I CB -0.264 37.791 38.000 0.093 0.000 1.051 207 I HN 0.295 nan 8.210 nan 0.000 0.413 208 K N 0.724 121.119 120.400 -0.008 0.000 2.097 208 K HA -0.096 4.211 4.320 -0.022 0.000 0.205 208 K C 2.271 178.854 176.600 -0.029 0.000 1.050 208 K CA 1.364 57.639 56.287 -0.021 0.000 0.938 208 K CB -0.225 32.259 32.500 -0.026 0.000 0.718 208 K HN 0.308 nan 8.250 nan 0.000 0.442 209 A N 1.228 124.030 122.820 -0.030 0.000 1.933 209 A HA -0.190 4.117 4.320 -0.022 0.000 0.218 209 A C 1.818 179.372 177.584 -0.049 0.000 1.175 209 A CA 1.372 53.389 52.037 -0.034 0.000 0.628 209 A CB -0.177 18.805 19.000 -0.030 0.000 0.814 209 A HN 0.310 nan 8.150 nan 0.000 0.444 210 Q N -1.969 117.790 119.800 -0.068 0.000 2.350 210 Q HA 0.079 4.405 4.340 -0.022 0.000 0.225 210 Q C -0.078 175.834 176.000 -0.148 0.000 0.878 210 Q CA 0.112 55.853 55.803 -0.103 0.000 0.935 210 Q CB 0.314 28.982 28.738 -0.117 0.000 1.099 210 Q HN 0.548 nan 8.270 nan 0.000 0.527 211 N N 1.100 119.718 118.700 -0.137 0.000 2.898 211 N HA 0.421 5.147 4.740 -0.022 0.000 0.245 211 N C -1.688 173.803 175.510 -0.032 0.000 1.185 211 N CA -0.127 52.846 53.050 -0.128 0.000 0.879 211 N CB 0.849 39.233 38.487 -0.172 0.000 1.157 211 N HN 0.136 nan 8.380 nan 0.000 0.503 212 A N 1.210 124.012 122.820 -0.030 0.000 2.587 212 A HA 0.556 4.863 4.320 -0.022 0.000 0.293 212 A C -1.321 176.258 177.584 -0.009 0.000 1.087 212 A CA -0.699 51.330 52.037 -0.013 0.000 0.692 212 A CB 1.552 20.538 19.000 -0.023 0.000 1.291 212 A HN 0.378 nan 8.150 nan 0.000 0.407 213 Q N 0.607 120.405 119.800 -0.003 0.000 2.241 213 Q HA 0.571 4.898 4.340 -0.022 0.000 0.254 213 Q C -1.474 174.521 176.000 -0.009 0.000 0.917 213 Q CA -0.254 55.547 55.803 -0.004 0.000 0.919 213 Q CB 1.706 30.444 28.738 0.001 0.000 1.237 213 Q HN 0.560 nan 8.270 nan 0.000 0.434 214 V N 2.781 122.689 119.914 -0.010 0.000 2.380 214 V HA 0.378 4.485 4.120 -0.022 0.000 0.286 214 V C -0.160 175.928 176.094 -0.010 0.000 1.015 214 V CA -1.001 61.292 62.300 -0.012 0.000 0.834 214 V CB 1.265 33.080 31.823 -0.014 0.000 1.009 214 V HN 0.862 nan 8.190 nan 0.000 0.428 215 A N 3.902 126.717 122.820 -0.009 0.000 2.548 215 A HA 0.676 4.983 4.320 -0.022 0.000 0.247 215 A C 0.839 178.418 177.584 -0.008 0.000 1.067 215 A CA 0.920 52.953 52.037 -0.008 0.000 0.757 215 A CB 0.455 19.451 19.000 -0.008 0.000 0.996 215 A HN 1.273 nan 8.150 nan 0.000 0.504 216 A N 2.676 125.492 122.820 -0.007 0.000 2.733 216 A HA 0.941 5.248 4.320 -0.022 0.000 0.210 216 A C 0.902 178.483 177.584 -0.006 0.000 2.062 216 A CA 0.631 52.663 52.037 -0.007 0.000 1.765 216 A CB -0.135 18.861 19.000 -0.007 0.000 1.287 216 A HN 2.094 nan 8.150 nan 0.000 0.395 217 G N -1.608 107.189 108.800 -0.006 0.000 2.604 217 G HA2 0.525 4.472 3.960 -0.022 0.000 0.242 217 G HA3 0.525 4.472 3.960 -0.022 0.000 0.242 217 G C -1.885 173.012 174.900 -0.005 0.000 1.208 217 G CA 0.215 45.312 45.100 -0.005 0.000 0.912 217 G HN 1.126 nan 8.290 nan 0.000 0.502 218 Q N -0.387 119.410 119.800 -0.004 0.000 2.340 218 Q HA 0.667 4.994 4.340 -0.022 0.000 0.276 218 Q C -1.199 174.799 176.000 -0.004 0.000 1.048 218 Q CA -0.919 54.881 55.803 -0.004 0.000 0.832 218 Q CB 2.312 31.048 28.738 -0.004 0.000 1.373 218 Q HN 0.476 nan 8.270 nan 0.000 0.409 219 L N 1.372 122.593 121.223 -0.004 0.000 2.467 219 L HA 0.340 4.667 4.340 -0.022 0.000 0.270 219 L C 1.395 178.263 176.870 -0.003 0.000 1.205 219 L CA 0.929 55.767 54.840 -0.003 0.000 0.828 219 L CB 0.088 42.145 42.059 -0.003 0.000 1.101 219 L HN 1.127 nan 8.230 nan 0.000 0.479 220 G N 1.663 110.461 108.800 -0.003 0.000 2.244 220 G HA2 -0.249 3.698 3.960 -0.022 0.000 0.274 220 G HA3 -0.249 3.698 3.960 -0.022 0.000 0.274 220 G C 0.634 175.532 174.900 -0.003 0.000 1.002 220 G CA 0.207 45.305 45.100 -0.003 0.000 0.740 220 G HN 1.086 nan 8.290 nan 0.000 0.516 221 G N -0.001 108.798 108.800 -0.003 0.000 2.491 221 G HA2 0.544 4.491 3.960 -0.022 0.000 0.238 221 G HA3 0.544 4.491 3.960 -0.022 0.000 0.238 221 G C 0.706 175.604 174.900 -0.003 0.000 1.277 221 G CA 0.740 45.838 45.100 -0.003 0.000 0.851 221 G HN 1.302 nan 8.290 nan 0.000 0.573 222 T N 0.576 115.128 114.554 -0.003 0.000 2.919 222 T HA 0.469 4.806 4.350 -0.022 0.000 0.302 222 T C -1.877 172.821 174.700 -0.003 0.000 1.031 222 T CA -1.161 60.937 62.100 -0.003 0.000 1.127 222 T CB 1.213 70.079 68.868 -0.003 0.000 0.952 222 T HN 0.460 nan 8.240 nan 0.000 0.540 223 P HA 0.412 nan 4.420 nan 0.000 0.282 223 P C -2.434 174.864 177.300 -0.003 0.000 1.262 223 P CA -1.262 61.836 63.100 -0.003 0.000 0.773 223 P CB 0.207 31.905 31.700 -0.003 0.000 0.879 224 P HA 0.199 nan 4.420 nan 0.000 0.284 224 P C -0.304 176.994 177.300 -0.002 0.000 1.292 224 P CA -0.587 62.511 63.100 -0.002 0.000 0.800 224 P CB 0.597 32.296 31.700 -0.002 0.000 1.188 225 V N -2.720 117.193 119.914 -0.002 0.000 3.083 225 V HA 0.329 4.436 4.120 -0.022 0.000 0.306 225 V C 0.533 176.626 176.094 -0.002 0.000 1.077 225 V CA -0.867 61.432 62.300 -0.002 0.000 1.073 225 V CB -0.100 31.722 31.823 -0.002 0.000 1.081 225 V HN 0.445 nan 8.190 nan 0.000 0.474 226 K N 1.533 121.931 120.400 -0.002 0.000 2.448 226 K HA 0.362 4.669 4.320 -0.022 0.000 0.278 226 K C 1.021 177.620 176.600 -0.002 0.000 1.009 226 K CA 0.933 57.219 56.287 -0.002 0.000 0.995 226 K CB 0.189 32.688 32.500 -0.002 0.000 0.917 226 K HN 1.706 nan 8.250 nan 0.000 0.481 227 G N 2.753 111.552 108.800 -0.002 0.000 2.295 227 G HA2 -0.273 3.674 3.960 -0.022 0.000 0.287 227 G HA3 -0.273 3.674 3.960 -0.022 0.000 0.287 227 G C -0.191 174.708 174.900 -0.002 0.000 1.055 227 G CA 0.452 45.551 45.100 -0.002 0.000 0.922 227 G HN 0.600 nan 8.290 nan 0.000 0.503 228 Q N -0.454 119.345 119.800 -0.002 0.000 2.313 228 Q HA 0.475 4.802 4.340 -0.022 0.000 0.266 228 Q C 1.441 177.440 176.000 -0.002 0.000 0.989 228 Q CA 0.628 56.430 55.803 -0.002 0.000 0.890 228 Q CB 1.126 29.863 28.738 -0.002 0.000 1.200 228 Q HN 0.652 nan 8.270 nan 0.000 0.396 229 Q N 4.508 124.307 119.800 -0.002 0.000 2.008 229 Q HA 0.117 4.444 4.340 -0.022 0.000 0.196 229 Q C -0.461 175.538 176.000 -0.002 0.000 0.973 229 Q CA 1.307 57.109 55.803 -0.002 0.000 0.826 229 Q CB 0.172 28.909 28.738 -0.002 0.000 0.894 229 Q HN 0.654 nan 8.270 nan 0.000 0.439 230 L N 0.689 121.911 121.223 -0.002 0.000 2.422 230 L HA 0.528 4.854 4.340 -0.022 0.000 0.264 230 L C -1.873 174.996 176.870 -0.002 0.000 0.984 230 L CA -0.690 54.149 54.840 -0.002 0.000 0.819 230 L CB 2.226 44.284 42.059 -0.002 0.000 1.330 230 L HN 0.323 nan 8.230 nan 0.000 0.410 231 N N 4.050 122.748 118.700 -0.002 0.000 2.448 231 N HA 0.781 5.508 4.740 -0.022 0.000 0.279 231 N C -1.674 173.835 175.510 -0.003 0.000 1.025 231 N CA -0.186 52.863 53.050 -0.003 0.000 0.898 231 N CB 1.937 40.423 38.487 -0.003 0.000 1.303 231 N HN 0.855 nan 8.380 nan 0.000 0.495 232 A N 2.294 125.112 122.820 -0.003 0.000 2.572 232 A HA 0.535 4.842 4.320 -0.022 0.000 0.295 232 A C -0.692 176.890 177.584 -0.003 0.000 1.072 232 A CA -0.594 51.441 52.037 -0.003 0.000 0.691 232 A CB 1.566 20.565 19.000 -0.002 0.000 1.291 232 A HN 0.511 nan 8.150 nan 0.000 0.404 233 S N 0.777 116.475 115.700 -0.003 0.000 2.549 233 S HA 0.380 4.837 4.470 -0.022 0.000 0.279 233 S C 0.112 174.709 174.600 -0.004 0.000 1.321 233 S CA -0.053 58.145 58.200 -0.004 0.000 1.054 233 S CB -0.052 63.146 63.200 -0.004 0.000 0.899 233 S HN 0.438 nan 8.310 nan 0.000 0.497 234 I N 4.210 124.777 120.570 -0.004 0.000 2.396 234 I HA 0.189 4.345 4.170 -0.022 0.000 0.289 234 I C -0.315 175.799 176.117 -0.005 0.000 1.056 234 I CA -0.221 61.076 61.300 -0.005 0.000 1.365 234 I CB 0.383 38.380 38.000 -0.005 0.000 1.407 234 I HN 0.354 nan 8.210 nan 0.000 0.509 235 I N 6.318 126.886 120.570 -0.005 0.000 2.328 235 I HA 0.423 4.580 4.170 -0.022 0.000 0.287 235 I C 0.762 176.875 176.117 -0.007 0.000 1.012 235 I CA -0.151 61.146 61.300 -0.005 0.000 1.195 235 I CB 0.565 38.562 38.000 -0.004 0.000 1.350 235 I HN 0.646 nan 8.210 nan 0.000 0.464 236 A N 6.326 129.142 122.820 -0.008 0.000 3.176 236 A HA 0.260 4.567 4.320 -0.022 0.000 0.182 236 A C 0.521 178.098 177.584 -0.011 0.000 2.036 236 A CA -0.190 51.841 52.037 -0.010 0.000 0.938 236 A CB -0.071 18.922 19.000 -0.011 0.000 1.909 236 A HN 0.701 nan 8.150 nan 0.000 0.760 237 Q N -0.091 119.700 119.800 -0.015 0.000 2.300 237 Q HA 0.293 4.620 4.340 -0.022 0.000 0.280 237 Q C -0.874 175.118 176.000 -0.014 0.000 1.033 237 Q CA 0.435 56.227 55.803 -0.018 0.000 0.903 237 Q CB 0.237 28.961 28.738 -0.024 0.000 1.195 237 Q HN 0.646 nan 8.270 nan 0.000 0.386 238 T N 3.633 118.180 114.554 -0.012 0.000 2.942 238 T HA 0.423 4.760 4.350 -0.022 0.000 0.289 238 T C -0.352 174.347 174.700 -0.002 0.000 1.044 238 T CA -0.859 61.239 62.100 -0.003 0.000 1.023 238 T CB 1.104 69.974 68.868 0.003 0.000 1.123 238 T HN 0.595 nan 8.240 nan 0.000 0.512 239 R N 0.805 121.316 120.500 0.018 0.000 2.698 239 R HA 0.202 4.529 4.340 -0.022 0.000 0.266 239 R C 0.243 176.573 176.300 0.050 0.000 1.026 239 R CA -0.107 56.019 56.100 0.043 0.000 1.102 239 R CB 0.067 30.421 30.300 0.089 0.000 0.978 239 R HN 0.462 nan 8.270 nan 0.000 0.436 240 L N 1.103 122.339 121.223 0.022 0.000 2.475 240 L HA 0.110 4.437 4.340 -0.022 0.000 0.250 240 L C 1.111 178.143 176.870 0.271 0.000 1.224 240 L CA 0.077 54.921 54.840 0.008 0.000 0.821 240 L CB 0.604 42.452 42.059 -0.352 0.000 1.141 240 L HN 0.778 nan 8.230 nan 0.000 0.494 241 T N -2.165 112.561 114.554 0.287 0.000 3.467 241 T HA 0.037 4.374 4.350 -0.022 0.000 0.258 241 T C 0.501 175.445 174.700 0.407 0.000 0.999 241 T CA -0.210 62.126 62.100 0.393 0.000 1.148 241 T CB 0.322 69.313 68.868 0.205 0.000 1.186 241 T HN 0.505 nan 8.240 nan 0.000 0.401 242 S N 1.847 117.694 115.700 0.245 0.000 2.579 242 S HA 0.162 4.618 4.470 -0.022 0.000 0.275 242 S C 1.406 176.131 174.600 0.207 0.000 1.345 242 S CA -0.048 58.266 58.200 0.190 0.000 1.031 242 S CB 1.183 64.455 63.200 0.119 0.000 0.892 242 S HN 0.421 nan 8.310 nan 0.000 0.529 243 T N 0.426 115.047 114.554 0.113 0.000 2.962 243 T HA -0.086 4.251 4.350 -0.022 0.000 0.270 243 T C 1.603 176.360 174.700 0.094 0.000 1.088 243 T CA 1.316 63.446 62.100 0.049 0.000 1.127 243 T CB -0.232 68.624 68.868 -0.019 0.000 0.883 243 T HN 0.689 nan 8.240 nan 0.000 0.493 244 E N 0.108 120.360 120.200 0.087 0.000 2.106 244 E HA -0.108 4.228 4.350 -0.022 0.000 0.192 244 E C 2.090 178.730 176.600 0.067 0.000 0.984 244 E CA 1.011 57.452 56.400 0.068 0.000 0.806 244 E CB 0.043 29.774 29.700 0.052 0.000 0.750 244 E HN 0.626 nan 8.360 nan 0.000 0.458 245 E N -0.437 119.810 120.200 0.078 0.000 2.072 245 E HA -0.166 4.170 4.350 -0.022 0.000 0.191 245 E C 1.791 178.365 176.600 -0.044 0.000 0.985 245 E CA 0.882 57.285 56.400 0.004 0.000 0.801 245 E CB -0.115 29.569 29.700 -0.026 0.000 0.750 245 E HN 0.287 nan 8.360 nan 0.000 0.452 246 F N 0.529 120.443 119.950 -0.059 0.000 2.216 246 F HA -0.080 4.434 4.527 -0.022 0.000 0.300 246 F C 2.407 178.175 175.800 -0.054 0.000 1.085 246 F CA 1.251 59.206 58.000 -0.076 0.000 1.326 246 F CB -0.449 38.471 39.000 -0.133 0.000 1.027 246 F HN 0.072 nan 8.300 nan 0.000 0.497 247 G N -0.631 108.247 108.800 0.130 0.000 2.443 247 G HA2 -0.201 3.746 3.960 -0.022 0.000 0.219 247 G HA3 -0.201 3.746 3.960 -0.022 0.000 0.219 247 G C 1.600 176.513 174.900 0.020 0.000 1.131 247 G CA 0.344 45.484 45.100 0.065 0.000 0.775 247 G HN 0.260 nan 8.290 nan 0.000 0.547 248 K N 0.187 120.588 120.400 0.001 0.000 2.487 248 K HA 0.186 4.493 4.320 -0.022 0.000 0.192 248 K C 0.911 177.484 176.600 -0.045 0.000 1.027 248 K CA -0.324 55.948 56.287 -0.024 0.000 1.054 248 K CB 0.012 32.496 32.500 -0.027 0.000 0.824 248 K HN 0.584 nan 8.250 nan 0.000 0.510 249 I N -0.308 120.231 120.570 -0.051 0.000 2.588 249 I HA 0.117 4.274 4.170 -0.022 0.000 0.283 249 I C -0.174 175.912 176.117 -0.053 0.000 1.119 249 I CA -0.714 60.547 61.300 -0.066 0.000 1.419 249 I CB 0.483 38.433 38.000 -0.084 0.000 1.394 249 I HN -0.203 nan 8.210 nan 0.000 0.562 250 L N 6.655 127.844 121.223 -0.056 0.000 2.319 250 L HA 0.306 4.633 4.340 -0.022 0.000 0.280 250 L C 0.241 177.080 176.870 -0.051 0.000 1.099 250 L CA 0.235 55.040 54.840 -0.058 0.000 0.828 250 L CB 1.005 43.032 42.059 -0.053 0.000 1.150 250 L HN 0.807 nan 8.230 nan 0.000 0.442 251 L N 3.245 124.431 121.223 -0.063 0.000 2.349 251 L HA 0.360 4.687 4.340 -0.022 0.000 0.200 251 L C 0.510 177.355 176.870 -0.041 0.000 1.064 251 L CA 0.058 54.872 54.840 -0.044 0.000 0.821 251 L CB -0.052 41.980 42.059 -0.045 0.000 1.027 251 L HN 0.553 nan 8.230 nan 0.000 0.476 252 K N -0.003 120.355 120.400 -0.069 0.000 2.557 252 K HA 0.441 4.748 4.320 -0.022 0.000 0.261 252 K C -1.749 174.812 176.600 -0.064 0.000 0.932 252 K CA -0.474 55.784 56.287 -0.048 0.000 0.829 252 K CB 2.939 35.426 32.500 -0.021 0.000 1.358 252 K HN -0.304 nan 8.250 nan 0.000 0.430 253 V N 4.220 124.112 119.914 -0.036 0.000 2.347 253 V HA 0.258 4.364 4.120 -0.022 0.000 0.280 253 V C 0.057 176.144 176.094 -0.011 0.000 1.021 253 V CA -1.029 61.252 62.300 -0.032 0.000 0.847 253 V CB 1.105 32.913 31.823 -0.025 0.000 0.990 253 V HN 0.720 nan 8.190 nan 0.000 0.444 254 N N 3.250 121.947 118.700 -0.006 0.000 2.340 254 N HA -0.003 4.724 4.740 -0.022 0.000 0.236 254 N C 1.317 176.836 175.510 0.015 0.000 1.296 254 N CA -0.053 53.009 53.050 0.020 0.000 0.896 254 N CB 0.751 39.263 38.487 0.041 0.000 1.127 254 N HN 0.850 nan 8.380 nan 0.000 0.442 255 Q N 0.202 120.014 119.800 0.020 0.000 2.364 255 Q HA -0.139 4.188 4.340 -0.022 0.000 0.209 255 Q C 0.511 176.518 176.000 0.011 0.000 0.977 255 Q CA 1.643 57.455 55.803 0.014 0.000 0.885 255 Q CB -0.103 28.643 28.738 0.015 0.000 0.941 255 Q HN 0.622 nan 8.270 nan 0.000 0.464 256 D N -1.326 119.081 120.400 0.013 0.000 2.363 256 D HA 0.144 4.771 4.640 -0.022 0.000 0.214 256 D C 0.965 177.269 176.300 0.005 0.000 1.093 256 D CA 0.395 54.401 54.000 0.010 0.000 0.837 256 D CB 0.188 40.996 40.800 0.014 0.000 0.948 256 D HN 0.423 nan 8.370 nan 0.000 0.507 257 G N 1.205 110.006 108.800 0.002 0.000 2.176 257 G HA2 -0.315 3.631 3.960 -0.022 0.000 0.253 257 G HA3 -0.315 3.631 3.960 -0.022 0.000 0.253 257 G C 0.387 175.280 174.900 -0.011 0.000 0.979 257 G CA 0.420 45.517 45.100 -0.005 0.000 0.641 257 G HN 0.759 nan 8.290 nan 0.000 0.530 258 S N 1.023 116.718 115.700 -0.008 0.000 2.549 258 S HA 0.600 5.057 4.470 -0.022 0.000 0.279 258 S C 0.813 175.385 174.600 -0.045 0.000 1.321 258 S CA 0.079 58.269 58.200 -0.017 0.000 1.054 258 S CB 1.687 64.887 63.200 0.001 0.000 0.899 258 S HN 1.049 nan 8.310 nan 0.000 0.497 259 R N 1.894 122.355 120.500 -0.064 0.000 2.531 259 R HA 0.488 4.814 4.340 -0.022 0.000 0.273 259 R C -1.430 174.760 176.300 -0.183 0.000 1.070 259 R CA -0.630 55.411 56.100 -0.098 0.000 1.112 259 R CB 0.124 30.378 30.300 -0.076 0.000 1.049 259 R HN 0.487 nan 8.270 nan 0.000 0.508 260 V N 4.807 124.582 119.914 -0.231 0.000 2.483 260 V HA 0.408 4.515 4.120 -0.022 0.000 0.297 260 V C 0.046 175.989 176.094 -0.252 0.000 1.027 260 V CA -0.738 61.322 62.300 -0.401 0.000 0.855 260 V CB 1.474 32.947 31.823 -0.584 0.000 0.995 260 V HN 0.627 nan 8.190 nan 0.000 0.424 261 L N 3.588 124.679 121.223 -0.219 0.000 2.313 261 L HA 0.501 4.828 4.340 -0.022 0.000 0.268 261 L C 1.017 177.844 176.870 -0.073 0.000 1.010 261 L CA -0.736 54.037 54.840 -0.113 0.000 0.814 261 L CB 1.533 43.547 42.059 -0.075 0.000 1.304 261 L HN 0.470 nan 8.230 nan 0.000 0.441 262 L N 0.876 122.086 121.223 -0.021 0.000 2.191 262 L HA -0.073 4.253 4.340 -0.022 0.000 0.212 262 L C 2.610 179.502 176.870 0.037 0.000 1.103 262 L CA 1.617 56.470 54.840 0.022 0.000 0.769 262 L CB -0.656 41.435 42.059 0.052 0.000 0.908 262 L HN 0.596 nan 8.230 nan 0.000 0.438 263 R N -0.447 120.068 120.500 0.025 0.000 2.105 263 R HA -0.172 4.155 4.340 -0.022 0.000 0.239 263 R C 1.424 177.749 176.300 0.041 0.000 1.135 263 R CA 1.837 57.958 56.100 0.035 0.000 0.967 263 R CB -0.258 30.056 30.300 0.022 0.000 0.861 263 R HN 0.465 nan 8.270 nan 0.000 0.442 264 D N -0.349 120.061 120.400 0.017 0.000 2.317 264 D HA -0.087 4.540 4.640 -0.022 0.000 0.211 264 D C 1.619 178.002 176.300 0.138 0.000 0.966 264 D CA 1.043 55.072 54.000 0.049 0.000 0.876 264 D CB 0.409 41.170 40.800 -0.064 0.000 0.927 264 D HN 0.328 nan 8.370 nan 0.000 0.519 265 V N -3.121 116.858 119.914 0.109 0.000 3.645 265 V HA 0.641 4.748 4.120 -0.022 0.000 0.275 265 V C 0.496 176.654 176.094 0.107 0.000 1.356 265 V CA 0.089 62.472 62.300 0.139 0.000 1.051 265 V CB 0.244 32.158 31.823 0.152 0.000 0.828 265 V HN 0.048 nan 8.190 nan 0.000 0.441 266 A N 0.131 123.013 122.820 0.104 0.000 2.549 266 A HA 0.803 5.109 4.320 -0.022 0.000 0.297 266 A C -0.984 176.677 177.584 0.127 0.000 1.061 266 A CA -0.847 51.264 52.037 0.125 0.000 0.690 266 A CB 1.649 20.719 19.000 0.117 0.000 1.287 266 A HN 0.182 nan 8.150 nan 0.000 0.402 267 K N 0.680 121.187 120.400 0.178 0.000 2.298 267 K HA 0.600 4.907 4.320 -0.022 0.000 0.280 267 K C -0.947 175.765 176.600 0.186 0.000 1.032 267 K CA 0.557 56.956 56.287 0.186 0.000 0.958 267 K CB 0.529 33.163 32.500 0.225 0.000 0.978 267 K HN 0.517 nan 8.250 nan 0.000 0.472 268 I N 3.346 123.986 120.570 0.116 0.000 2.410 268 I HA 0.281 4.438 4.170 -0.022 0.000 0.286 268 I C -0.437 175.698 176.117 0.030 0.000 1.009 268 I CA -0.455 60.865 61.300 0.034 0.000 1.111 268 I CB 1.457 39.463 38.000 0.010 0.000 1.262 268 I HN 0.664 nan 8.210 nan 0.000 0.443 269 E N 6.194 126.396 120.200 0.004 0.000 2.392 269 E HA 0.428 4.764 4.350 -0.022 0.000 0.279 269 E C -1.794 174.761 176.600 -0.076 0.000 0.964 269 E CA -1.018 55.386 56.400 0.007 0.000 0.777 269 E CB 2.019 31.793 29.700 0.123 0.000 1.249 269 E HN 0.199 nan 8.360 nan 0.000 0.449 270 L N 1.792 122.920 121.223 -0.159 0.000 2.410 270 L HA 0.596 4.923 4.340 -0.022 0.000 0.273 270 L C 0.632 177.390 176.870 -0.187 0.000 1.152 270 L CA 1.340 55.993 54.840 -0.312 0.000 0.855 270 L CB 0.914 42.558 42.059 -0.690 0.000 1.129 270 L HN 0.809 nan 8.230 nan 0.000 0.463 271 G N 1.546 110.339 108.800 -0.012 0.000 2.706 271 G HA2 0.564 4.511 3.960 -0.022 0.000 0.307 271 G HA3 0.564 4.511 3.960 -0.022 0.000 0.307 271 G C -0.699 174.327 174.900 0.211 0.000 1.307 271 G CA -0.230 45.007 45.100 0.228 0.000 0.790 271 G HN 0.776 nan 8.290 nan 0.000 0.503 272 G N -0.941 107.846 108.800 -0.021 0.000 2.432 272 G HA2 0.422 4.369 3.960 -0.022 0.000 0.257 272 G HA3 0.422 4.369 3.960 -0.022 0.000 0.257 272 G C 0.514 175.255 174.900 -0.265 0.000 1.238 272 G CA 0.132 45.052 45.100 -0.301 0.000 0.838 272 G HN 0.621 nan 8.290 nan 0.000 0.547 273 E N 0.180 120.286 120.200 -0.157 0.000 2.153 273 E HA -0.112 4.224 4.350 -0.022 0.000 0.194 273 E C 0.935 177.322 176.600 -0.355 0.000 0.988 273 E CA 0.799 57.106 56.400 -0.155 0.000 0.811 273 E CB 0.153 29.836 29.700 -0.029 0.000 0.746 273 E HN 0.583 nan 8.360 nan 0.000 0.466 274 N N -1.803 116.719 118.700 -0.296 0.000 2.331 274 N HA 0.017 4.744 4.740 -0.022 0.000 0.280 274 N C -1.397 173.969 175.510 -0.240 0.000 1.155 274 N CA -0.386 52.548 53.050 -0.194 0.000 0.822 274 N CB 0.881 39.307 38.487 -0.100 0.000 1.619 274 N HN -0.103 nan 8.380 nan 0.000 0.476 275 Y N 0.848 121.161 120.300 0.023 0.000 2.720 275 Y HA 0.269 4.807 4.550 -0.021 0.000 0.277 275 Y C 1.054 176.976 175.900 0.036 0.000 1.144 275 Y CA -0.452 57.676 58.100 0.046 0.000 1.221 275 Y CB 0.508 39.011 38.460 0.072 0.000 1.163 275 Y HN 0.526 nan 8.280 nan 0.000 0.537 276 D N 0.809 121.282 120.400 0.122 0.000 2.162 276 D HA -0.009 4.618 4.640 -0.022 0.000 0.203 276 D C 0.492 176.842 176.300 0.083 0.000 0.967 276 D CA 1.058 55.118 54.000 0.100 0.000 0.840 276 D CB 0.328 41.178 40.800 0.084 0.000 0.972 276 D HN 0.370 nan 8.370 nan 0.000 0.482 277 I N -0.676 119.931 120.570 0.062 0.000 2.412 277 I HA 0.364 4.520 4.170 -0.022 0.000 0.296 277 I C -0.322 175.823 176.117 0.047 0.000 0.987 277 I CA -1.102 60.229 61.300 0.052 0.000 1.180 277 I CB 1.654 39.673 38.000 0.032 0.000 1.340 277 I HN -0.189 nan 8.210 nan 0.000 0.455 278 I N 3.103 123.700 120.570 0.045 0.000 2.411 278 I HA 0.887 5.044 4.170 -0.022 0.000 0.284 278 I C -0.217 175.910 176.117 0.018 0.000 1.012 278 I CA -0.936 60.386 61.300 0.036 0.000 1.119 278 I CB 1.581 39.605 38.000 0.040 0.000 1.261 278 I HN 0.774 nan 8.210 nan 0.000 0.448 279 A N 5.129 127.956 122.820 0.011 0.000 2.305 279 A HA 0.749 5.056 4.320 -0.022 0.000 0.322 279 A C -0.373 177.140 177.584 -0.119 0.000 1.187 279 A CA -0.409 51.622 52.037 -0.011 0.000 0.825 279 A CB 0.929 19.985 19.000 0.093 0.000 1.164 279 A HN 0.839 nan 8.150 nan 0.000 0.498 280 E N 0.460 120.521 120.200 -0.231 0.000 2.293 280 E HA 0.433 4.770 4.350 -0.022 0.000 0.270 280 E C -1.947 174.376 176.600 -0.462 0.000 0.879 280 E CA -0.400 55.844 56.400 -0.259 0.000 0.756 280 E CB 2.475 32.097 29.700 -0.130 0.000 1.208 280 E HN 0.561 nan 8.360 nan 0.000 0.428 281 F N 3.032 122.668 119.950 -0.523 0.000 2.403 281 F HA 0.303 4.817 4.527 -0.022 0.000 0.355 281 F C 0.187 175.868 175.800 -0.197 0.000 1.119 281 F CA -0.331 57.394 58.000 -0.458 0.000 1.007 281 F CB 0.343 39.084 39.000 -0.432 0.000 1.194 281 F HN 0.642 nan 8.300 nan 0.000 0.443 282 N N 4.222 122.605 118.700 -0.529 0.000 2.708 282 N HA -0.238 4.489 4.740 -0.022 0.000 0.249 282 N C 0.866 176.301 175.510 -0.125 0.000 1.097 282 N CA 0.743 53.598 53.050 -0.325 0.000 0.710 282 N CB -0.979 37.306 38.487 -0.336 0.000 1.032 282 N HN 1.215 nan 8.380 nan 0.000 0.551 283 G N -1.182 107.556 108.800 -0.102 0.000 2.194 283 G HA2 -0.313 3.634 3.960 -0.022 0.000 0.236 283 G HA3 -0.313 3.634 3.960 -0.022 0.000 0.236 283 G C -0.173 174.708 174.900 -0.032 0.000 0.987 283 G CA 0.393 45.464 45.100 -0.048 0.000 0.635 283 G HN 0.465 nan 8.290 nan 0.000 0.520 284 Q N 0.734 120.521 119.800 -0.022 0.000 2.274 284 Q HA 0.495 4.822 4.340 -0.022 0.000 0.260 284 Q C -2.615 173.368 176.000 -0.029 0.000 0.974 284 Q CA -2.315 53.485 55.803 -0.006 0.000 0.876 284 Q CB 1.970 30.725 28.738 0.028 0.000 1.297 284 Q HN 0.050 nan 8.270 nan 0.000 0.446 285 P HA -0.115 nan 4.420 nan 0.000 0.259 285 P C -1.468 175.797 177.300 -0.059 0.000 1.155 285 P CA 0.752 63.830 63.100 -0.037 0.000 0.759 285 P CB 0.313 32.002 31.700 -0.018 0.000 0.753 286 A N 2.476 125.250 122.820 -0.076 0.000 2.398 286 A HA 0.653 4.960 4.320 -0.022 0.000 0.301 286 A C -0.290 177.321 177.584 0.045 0.000 1.041 286 A CA -0.372 51.617 52.037 -0.080 0.000 0.711 286 A CB 1.603 20.413 19.000 -0.316 0.000 1.240 286 A HN 0.402 nan 8.150 nan 0.000 0.420 287 S N 0.790 116.542 115.700 0.087 0.000 2.751 287 S HA 0.976 5.432 4.470 -0.022 0.000 0.310 287 S C 0.044 174.774 174.600 0.215 0.000 1.128 287 S CA 0.153 58.446 58.200 0.155 0.000 0.931 287 S CB 1.837 65.064 63.200 0.046 0.000 1.177 287 S HN 2.312 nan 8.310 nan 0.000 0.530 288 G N -0.034 108.862 108.800 0.160 0.000 2.441 288 G HA2 0.487 4.434 3.960 -0.022 0.000 0.294 288 G HA3 0.487 4.434 3.960 -0.022 0.000 0.294 288 G C -2.369 172.236 174.900 -0.492 0.000 1.393 288 G CA -0.765 44.312 45.100 -0.039 0.000 0.796 288 G HN 0.774 nan 8.290 nan 0.000 0.494 289 L N 0.317 121.174 121.223 -0.609 0.000 2.362 289 L HA 0.689 5.016 4.340 -0.022 0.000 0.275 289 L C 0.598 176.975 176.870 -0.822 0.000 0.998 289 L CA -0.944 53.469 54.840 -0.713 0.000 0.820 289 L CB 2.402 44.263 42.059 -0.331 0.000 1.270 289 L HN 0.763 nan 8.230 nan 0.000 0.415 290 G N 3.382 111.629 108.800 -0.922 0.000 2.329 290 G HA2 0.625 4.571 3.960 -0.022 0.000 0.309 290 G HA3 0.625 4.571 3.960 -0.022 0.000 0.309 290 G C -0.737 174.171 174.900 0.013 0.000 1.110 290 G CA -0.249 44.542 45.100 -0.515 0.000 0.923 290 G HN 0.355 nan 8.290 nan 0.000 0.430 291 I N 1.965 122.619 120.570 0.140 0.000 2.354 291 I HA 0.300 4.457 4.170 -0.022 0.000 0.292 291 I C 0.365 176.663 176.117 0.302 0.000 0.989 291 I CA -0.321 61.088 61.300 0.182 0.000 1.188 291 I CB 1.859 39.913 38.000 0.090 0.000 1.342 291 I HN 0.272 nan 8.210 nan 0.000 0.457 292 K N 5.656 126.162 120.400 0.177 0.000 2.138 292 K HA 0.487 4.793 4.320 -0.022 0.000 0.263 292 K C -0.877 175.758 176.600 0.059 0.000 0.965 292 K CA -0.951 55.385 56.287 0.083 0.000 0.868 292 K CB 1.940 34.422 32.500 -0.031 0.000 1.083 292 K HN 0.443 nan 8.250 nan 0.000 0.443 293 L N 2.804 124.059 121.223 0.053 0.000 2.319 293 L HA 0.232 4.559 4.340 -0.022 0.000 0.280 293 L C -0.253 176.630 176.870 0.022 0.000 1.099 293 L CA 0.058 54.923 54.840 0.042 0.000 0.828 293 L CB 0.794 42.884 42.059 0.052 0.000 1.150 293 L HN 0.788 nan 8.230 nan 0.000 0.442 294 A N 3.782 126.613 122.820 0.017 0.000 2.477 294 A HA 0.211 4.518 4.320 -0.022 0.000 0.246 294 A C 0.613 178.202 177.584 0.008 0.000 1.078 294 A CA 0.099 52.141 52.037 0.008 0.000 0.770 294 A CB 0.015 19.019 19.000 0.007 0.000 1.011 294 A HN 0.827 nan 8.150 nan 0.000 0.494 295 T N 1.383 115.938 114.554 0.002 0.000 2.831 295 T HA 0.396 4.733 4.350 -0.022 0.000 0.291 295 T C 1.363 176.067 174.700 0.006 0.000 0.981 295 T CA 1.341 63.442 62.100 0.001 0.000 1.174 295 T CB -0.424 68.440 68.868 -0.006 0.000 0.929 295 T HN 2.421 nan 8.240 nan 0.000 0.532 296 G N 2.592 111.399 108.800 0.011 0.000 2.175 296 G HA2 0.037 3.984 3.960 -0.022 0.000 0.244 296 G HA3 0.037 3.984 3.960 -0.022 0.000 0.244 296 G C 0.242 175.152 174.900 0.016 0.000 0.982 296 G CA -0.051 45.058 45.100 0.016 0.000 0.641 296 G HN 1.410 nan 8.290 nan 0.000 0.527 297 A N -0.404 122.425 122.820 0.015 0.000 2.269 297 A HA 0.734 5.041 4.320 -0.022 0.000 0.327 297 A C 0.298 177.891 177.584 0.015 0.000 1.112 297 A CA -0.228 51.817 52.037 0.014 0.000 0.865 297 A CB 0.661 19.669 19.000 0.013 0.000 1.227 297 A HN 0.409 nan 8.150 nan 0.000 0.498 298 N N 0.607 119.314 118.700 0.011 0.000 2.408 298 N HA 0.280 5.007 4.740 -0.022 0.000 0.257 298 N C 0.966 176.483 175.510 0.012 0.000 1.064 298 N CA 0.473 53.528 53.050 0.008 0.000 0.952 298 N CB 1.516 40.003 38.487 -0.001 0.000 1.093 298 N HN 0.600 nan 8.380 nan 0.000 0.490 299 A N 4.335 127.166 122.820 0.017 0.000 1.972 299 A HA -0.137 4.170 4.320 -0.022 0.000 0.219 299 A C 1.897 179.490 177.584 0.015 0.000 1.169 299 A CA 1.022 53.073 52.037 0.024 0.000 0.635 299 A CB -0.150 18.871 19.000 0.035 0.000 0.810 299 A HN 0.633 nan 8.150 nan 0.000 0.446 300 L N 0.092 121.319 121.223 0.006 0.000 2.023 300 L HA -0.112 4.215 4.340 -0.022 0.000 0.205 300 L C 1.974 178.840 176.870 -0.007 0.000 1.073 300 L CA 2.004 56.842 54.840 -0.003 0.000 0.745 300 L CB -0.802 41.251 42.059 -0.010 0.000 0.900 300 L HN 0.315 nan 8.230 nan 0.000 0.435 301 D N -1.169 119.228 120.400 -0.006 0.000 2.117 301 D HA -0.144 4.483 4.640 -0.022 0.000 0.197 301 D C 2.048 178.347 176.300 -0.001 0.000 0.987 301 D CA 1.716 55.712 54.000 -0.006 0.000 0.829 301 D CB -0.204 40.593 40.800 -0.006 0.000 0.961 301 D HN 0.300 nan 8.370 nan 0.000 0.460 302 T N 1.025 115.582 114.554 0.005 0.000 2.746 302 T HA -0.106 4.231 4.350 -0.022 0.000 0.267 302 T C 2.055 176.762 174.700 0.011 0.000 1.039 302 T CA 1.464 63.571 62.100 0.012 0.000 1.142 302 T CB -0.307 68.573 68.868 0.019 0.000 0.866 302 T HN 0.194 nan 8.240 nan 0.000 0.444 303 A N 1.930 124.753 122.820 0.004 0.000 1.859 303 A HA 0.021 4.327 4.320 -0.022 0.000 0.217 303 A C 2.725 180.294 177.584 -0.024 0.000 1.198 303 A CA 2.224 54.254 52.037 -0.012 0.000 0.629 303 A CB -1.440 17.546 19.000 -0.024 0.000 0.830 303 A HN 0.521 nan 8.150 nan 0.000 0.446 304 A N -0.447 122.359 122.820 -0.024 0.000 1.927 304 A HA 0.021 4.328 4.320 -0.022 0.000 0.220 304 A C 2.500 180.079 177.584 -0.008 0.000 1.185 304 A CA 2.701 54.724 52.037 -0.023 0.000 0.639 304 A CB -1.065 17.924 19.000 -0.019 0.000 0.820 304 A HN 1.215 nan 8.150 nan 0.000 0.451 305 A N -0.416 122.404 122.820 0.001 0.000 1.872 305 A HA 0.003 4.310 4.320 -0.022 0.000 0.214 305 A C 2.120 179.717 177.584 0.023 0.000 1.187 305 A CA 1.361 53.404 52.037 0.010 0.000 0.614 305 A CB -0.556 18.449 19.000 0.009 0.000 0.826 305 A HN 0.480 nan 8.150 nan 0.000 0.442 306 I N -0.671 119.917 120.570 0.030 0.000 2.208 306 I HA -0.295 3.862 4.170 -0.022 0.000 0.245 306 I C 2.762 178.932 176.117 0.088 0.000 1.097 306 I CA 1.500 62.834 61.300 0.058 0.000 1.363 306 I CB -0.256 37.785 38.000 0.069 0.000 1.051 306 I HN 0.277 nan 8.210 nan 0.000 0.413 307 R N 0.388 120.922 120.500 0.056 0.000 2.115 307 R HA -0.063 4.264 4.340 -0.022 0.000 0.230 307 R C 2.391 178.734 176.300 0.072 0.000 1.111 307 R CA 1.271 57.413 56.100 0.068 0.000 0.976 307 R CB -0.371 29.894 30.300 -0.059 0.000 0.870 307 R HN 0.360 nan 8.270 nan 0.000 0.445 308 A N 0.852 123.696 122.820 0.041 0.000 1.929 308 A HA -0.165 4.142 4.320 -0.022 0.000 0.216 308 A C 1.991 179.600 177.584 0.042 0.000 1.176 308 A CA 1.340 53.397 52.037 0.034 0.000 0.628 308 A CB -0.192 18.819 19.000 0.018 0.000 0.816 308 A HN 0.180 nan 8.150 nan 0.000 0.444 309 E N -0.350 119.878 120.200 0.047 0.000 2.107 309 E HA -0.089 4.248 4.350 -0.022 0.000 0.191 309 E C 1.607 178.248 176.600 0.069 0.000 0.982 309 E CA 0.686 57.113 56.400 0.046 0.000 0.809 309 E CB -0.279 29.443 29.700 0.038 0.000 0.756 309 E HN 0.320 nan 8.360 nan 0.000 0.459 310 L N 0.122 121.409 121.223 0.107 0.000 2.201 310 L HA 0.069 4.396 4.340 -0.022 0.000 0.212 310 L C 2.112 179.054 176.870 0.119 0.000 1.105 310 L CA 1.638 56.572 54.840 0.158 0.000 0.775 310 L CB -1.158 41.035 42.059 0.223 0.000 0.913 310 L HN 0.230 nan 8.230 nan 0.000 0.440 311 A N -1.405 121.465 122.820 0.082 0.000 1.970 311 A HA -0.126 4.181 4.320 -0.022 0.000 0.216 311 A C 2.327 179.914 177.584 0.004 0.000 1.170 311 A CA 0.873 52.936 52.037 0.044 0.000 0.645 311 A CB -0.232 18.794 19.000 0.043 0.000 0.816 311 A HN 0.274 nan 8.150 nan 0.000 0.447 312 K N -0.639 119.772 120.400 0.018 0.000 2.057 312 K HA -0.073 4.234 4.320 -0.022 0.000 0.207 312 K C 1.857 178.483 176.600 0.042 0.000 1.049 312 K CA 1.697 58.003 56.287 0.032 0.000 0.931 312 K CB -0.273 32.248 32.500 0.035 0.000 0.714 312 K HN 0.548 nan 8.250 nan 0.000 0.440 313 M N 0.037 119.614 119.600 -0.038 0.000 2.419 313 M HA -0.078 4.389 4.480 -0.022 0.000 0.264 313 M C 1.725 177.605 176.300 -0.700 0.000 1.082 313 M CA 0.898 56.100 55.300 -0.164 0.000 1.119 313 M CB -0.073 32.493 32.600 -0.056 0.000 1.398 313 M HN 0.004 nan 8.290 nan 0.000 0.453 314 E N 1.371 121.209 120.200 -0.603 0.000 2.086 314 E HA -0.201 4.136 4.350 -0.022 0.000 0.205 314 E C -0.737 175.552 176.600 -0.519 0.000 1.027 314 E CA 2.093 58.105 56.400 -0.647 0.000 0.830 314 E CB -1.056 28.534 29.700 -0.183 0.000 0.751 314 E HN 0.346 nan 8.360 nan 0.000 0.456 315 P HA -0.117 nan 4.420 nan 0.000 0.230 315 P C 0.405 177.456 177.300 -0.415 0.000 1.158 315 P CA 1.053 63.945 63.100 -0.347 0.000 0.769 315 P CB -0.010 31.442 31.700 -0.413 0.000 0.807 316 F N -1.783 118.020 119.950 -0.244 0.000 2.727 316 F HA 0.207 4.721 4.527 -0.021 0.000 0.302 316 F C 1.168 177.040 175.800 0.120 0.000 1.097 316 F CA -0.338 57.619 58.000 -0.072 0.000 1.330 316 F CB -0.333 38.634 39.000 -0.055 0.000 1.084 316 F HN -0.282 nan 8.300 nan 0.000 0.578 317 F N 2.200 122.269 119.950 0.199 0.000 2.406 317 F HA 0.294 4.807 4.527 -0.023 0.000 0.327 317 F C -1.392 174.394 175.800 -0.024 0.000 1.153 317 F CA -3.674 54.376 58.000 0.084 0.000 1.218 317 F CB -0.760 38.239 39.000 -0.002 0.000 1.215 317 F HN -0.191 nan 8.300 nan 0.000 0.570 318 P HA 0.062 nan 4.420 nan 0.000 0.272 318 P C -0.665 176.625 177.300 -0.018 0.000 1.230 318 P CA -0.376 62.706 63.100 -0.030 0.000 0.788 318 P CB 0.532 32.130 31.700 -0.170 0.000 0.949 319 S N 0.615 116.311 115.700 -0.006 0.000 2.519 319 S HA 0.346 4.803 4.470 -0.022 0.000 0.310 319 S C 1.297 175.883 174.600 -0.024 0.000 1.201 319 S CA 1.008 59.205 58.200 -0.004 0.000 1.179 319 S CB -1.227 61.974 63.200 0.001 0.000 1.104 319 S HN 0.880 nan 8.310 nan 0.000 0.527 320 G N 2.891 111.676 108.800 -0.025 0.000 2.485 320 G HA2 -0.144 3.803 3.960 -0.022 0.000 0.181 320 G HA3 -0.144 3.803 3.960 -0.022 0.000 0.181 320 G C -0.201 174.659 174.900 -0.067 0.000 0.999 320 G CA -0.634 44.443 45.100 -0.038 0.000 0.721 320 G HN 0.604 nan 8.290 nan 0.000 0.486 321 L N 1.965 123.127 121.223 -0.101 0.000 2.292 321 L HA 0.761 5.088 4.340 -0.022 0.000 0.284 321 L C -0.054 176.732 176.870 -0.139 0.000 1.065 321 L CA -0.396 54.327 54.840 -0.195 0.000 0.806 321 L CB 0.765 42.591 42.059 -0.388 0.000 1.175 321 L HN 0.062 nan 8.230 nan 0.000 0.431 322 K N 4.802 125.101 120.400 -0.168 0.000 2.328 322 K HA 0.521 4.828 4.320 -0.022 0.000 0.246 322 K C -1.391 175.087 176.600 -0.205 0.000 0.955 322 K CA -0.972 55.247 56.287 -0.112 0.000 0.817 322 K CB 2.512 34.959 32.500 -0.087 0.000 1.208 322 K HN 0.347 nan 8.250 nan 0.000 0.432 323 I N 1.888 122.377 120.570 -0.136 0.000 2.321 323 I HA 0.248 4.404 4.170 -0.022 0.000 0.291 323 I C -0.541 175.356 176.117 -0.368 0.000 0.998 323 I CA -0.430 60.719 61.300 -0.253 0.000 1.227 323 I CB 1.607 39.532 38.000 -0.126 0.000 1.368 323 I HN 0.261 nan 8.210 nan 0.000 0.466 324 V N 7.686 127.285 119.914 -0.526 0.000 3.074 324 V HA 0.509 4.616 4.120 -0.022 0.000 0.314 324 V C -1.525 174.238 176.094 -0.551 0.000 1.117 324 V CA -0.532 61.485 62.300 -0.471 0.000 1.014 324 V CB 2.250 33.737 31.823 -0.561 0.000 1.057 324 V HN 0.531 nan 8.190 nan 0.000 0.438 325 Y N 4.537 124.859 120.300 0.037 0.000 2.863 325 Y HA 0.429 4.966 4.550 -0.023 0.000 0.348 325 Y C -1.837 174.162 175.900 0.165 0.000 1.028 325 Y CA -1.716 56.431 58.100 0.078 0.000 1.213 325 Y CB 0.996 39.489 38.460 0.054 0.000 1.120 325 Y HN 0.521 nan 8.280 nan 0.000 0.598 326 P HA -0.195 nan 4.420 nan 0.000 0.215 326 P C -0.475 177.120 177.300 0.491 0.000 1.153 326 P CA 1.538 64.900 63.100 0.438 0.000 0.853 326 P CB 0.293 32.244 31.700 0.417 0.000 0.788 327 Y N -0.170 120.275 120.300 0.242 0.000 2.346 327 Y HA 0.544 5.080 4.550 -0.023 0.000 0.332 327 Y C -1.494 174.514 175.900 0.179 0.000 0.985 327 Y CA -1.602 56.636 58.100 0.229 0.000 1.112 327 Y CB 1.109 39.651 38.460 0.136 0.000 1.170 327 Y HN -0.277 nan 8.280 nan 0.000 0.447 328 D N 3.661 123.915 120.400 -0.244 0.000 2.479 328 D HA 0.133 4.760 4.640 -0.022 0.000 0.246 328 D C 0.250 176.381 176.300 -0.281 0.000 1.336 328 D CA -0.134 53.737 54.000 -0.216 0.000 0.967 328 D CB 2.117 42.886 40.800 -0.052 0.000 1.275 328 D HN 0.640 nan 8.370 nan 0.000 0.577 329 T N 1.670 116.018 114.554 -0.342 0.000 3.035 329 T HA -0.067 4.269 4.350 -0.022 0.000 0.268 329 T C 1.533 176.279 174.700 0.075 0.000 1.109 329 T CA 1.743 63.763 62.100 -0.132 0.000 1.119 329 T CB 0.226 69.066 68.868 -0.046 0.000 0.900 329 T HN 0.410 nan 8.240 nan 0.000 0.503 330 T N 2.257 116.832 114.554 0.035 0.000 2.643 330 T HA -0.056 4.281 4.350 -0.022 0.000 0.264 330 T C -0.596 174.166 174.700 0.103 0.000 1.045 330 T CA 1.418 63.552 62.100 0.057 0.000 1.155 330 T CB -1.123 67.751 68.868 0.011 0.000 0.863 330 T HN 0.370 nan 8.240 nan 0.000 0.420 331 P HA -0.118 nan 4.420 nan 0.000 0.216 331 P C 1.207 178.669 177.300 0.270 0.000 1.154 331 P CA 0.962 64.180 63.100 0.198 0.000 0.865 331 P CB -0.161 31.693 31.700 0.255 0.000 0.789 332 F N 0.040 120.102 119.950 0.186 0.000 2.102 332 F HA -0.197 4.316 4.527 -0.023 0.000 0.298 332 F C 2.048 177.883 175.800 0.058 0.000 1.105 332 F CA 1.356 59.447 58.000 0.152 0.000 1.239 332 F CB -0.840 38.282 39.000 0.203 0.000 0.991 332 F HN -0.297 nan 8.300 nan 0.000 0.474 333 V N 0.471 120.458 119.914 0.122 0.000 2.343 333 V HA -0.316 3.791 4.120 -0.022 0.000 0.247 333 V C 2.402 178.459 176.094 -0.062 0.000 1.051 333 V CA 2.019 64.320 62.300 0.001 0.000 1.036 333 V CB -0.766 31.084 31.823 0.045 0.000 0.654 333 V HN 0.254 nan 8.190 nan 0.000 0.451 334 K N -0.370 120.017 120.400 -0.022 0.000 2.059 334 K HA -0.238 4.069 4.320 -0.022 0.000 0.212 334 K C 2.064 178.630 176.600 -0.057 0.000 1.050 334 K CA 1.968 58.237 56.287 -0.029 0.000 0.927 334 K CB -0.447 32.048 32.500 -0.007 0.000 0.714 334 K HN 0.320 nan 8.250 nan 0.000 0.447 335 I N 1.072 121.571 120.570 -0.119 0.000 2.179 335 I HA -0.279 3.878 4.170 -0.022 0.000 0.242 335 I C 2.284 178.285 176.117 -0.193 0.000 1.088 335 I CA 1.354 62.551 61.300 -0.173 0.000 1.357 335 I CB -0.269 37.528 38.000 -0.338 0.000 1.051 335 I HN 0.045 nan 8.210 nan 0.000 0.409 336 S N 0.383 115.908 115.700 -0.291 0.000 2.359 336 S HA -0.175 4.281 4.470 -0.022 0.000 0.224 336 S C 2.068 176.529 174.600 -0.231 0.000 1.035 336 S CA 1.604 59.649 58.200 -0.258 0.000 1.018 336 S CB -0.509 62.548 63.200 -0.238 0.000 0.876 336 S HN 0.349 nan 8.310 nan 0.000 0.448 337 I N 0.791 121.268 120.570 -0.154 0.000 2.142 337 I HA -0.231 3.926 4.170 -0.022 0.000 0.240 337 I C 2.522 178.585 176.117 -0.090 0.000 1.078 337 I CA 1.857 63.087 61.300 -0.116 0.000 1.343 337 I CB -0.530 37.432 38.000 -0.063 0.000 1.046 337 I HN 0.341 nan 8.210 nan 0.000 0.405 338 H N 1.317 120.312 119.070 -0.125 0.000 2.352 338 H HA -0.182 4.361 4.556 -0.022 0.000 0.299 338 H C 1.992 177.257 175.328 -0.105 0.000 1.097 338 H CA 1.814 57.802 56.048 -0.100 0.000 1.311 338 H CB 0.072 29.783 29.762 -0.086 0.000 1.377 338 H HN 0.226 nan 8.280 nan 0.000 0.504 339 E N -0.164 119.905 120.200 -0.220 0.000 2.274 339 E HA -0.057 4.280 4.350 -0.022 0.000 0.194 339 E C 2.395 178.849 176.600 -0.243 0.000 0.996 339 E CA 0.660 56.914 56.400 -0.244 0.000 0.840 339 E CB 0.068 29.694 29.700 -0.123 0.000 0.772 339 E HN 0.408 nan 8.360 nan 0.000 0.491 340 V N 0.650 120.393 119.914 -0.285 0.000 2.446 340 V HA -0.141 3.965 4.120 -0.022 0.000 0.244 340 V C 2.391 178.379 176.094 -0.176 0.000 1.039 340 V CA 0.819 62.940 62.300 -0.298 0.000 1.045 340 V CB -0.051 31.510 31.823 -0.436 0.000 0.681 340 V HN 0.045 nan 8.190 nan 0.000 0.459 341 V N 0.269 120.087 119.914 -0.161 0.000 2.407 341 V HA -0.273 3.834 4.120 -0.022 0.000 0.248 341 V C 2.366 178.381 176.094 -0.132 0.000 1.055 341 V CA 2.236 64.472 62.300 -0.107 0.000 1.049 341 V CB -0.723 31.048 31.823 -0.087 0.000 0.662 341 V HN 0.552 nan 8.190 nan 0.000 0.455 342 K N 0.086 120.347 120.400 -0.232 0.000 2.057 342 K HA -0.188 4.119 4.320 -0.022 0.000 0.207 342 K C 2.206 178.742 176.600 -0.106 0.000 1.049 342 K CA 1.983 58.143 56.287 -0.212 0.000 0.931 342 K CB -0.292 32.005 32.500 -0.340 0.000 0.714 342 K HN 0.503 nan 8.250 nan 0.000 0.440 343 T N 2.042 116.541 114.554 -0.092 0.000 2.708 343 T HA -0.136 4.200 4.350 -0.022 0.000 0.266 343 T C 1.856 176.558 174.700 0.004 0.000 1.037 343 T CA 1.411 63.494 62.100 -0.028 0.000 1.146 343 T CB -0.176 68.686 68.868 -0.011 0.000 0.865 343 T HN 0.153 nan 8.240 nan 0.000 0.435 344 L N 0.618 121.837 121.223 -0.007 0.000 2.017 344 L HA -0.099 4.228 4.340 -0.022 0.000 0.208 344 L C 2.695 179.578 176.870 0.023 0.000 1.073 344 L CA 1.032 55.884 54.840 0.020 0.000 0.745 344 L CB -0.627 41.442 42.059 0.017 0.000 0.894 344 L HN 0.149 nan 8.230 nan 0.000 0.432 345 V N -0.473 119.441 119.914 0.000 0.000 2.358 345 V HA -0.249 3.858 4.120 -0.022 0.000 0.246 345 V C 2.226 178.328 176.094 0.013 0.000 1.047 345 V CA 1.663 63.964 62.300 0.002 0.000 1.035 345 V CB -0.471 31.341 31.823 -0.018 0.000 0.658 345 V HN 0.443 nan 8.190 nan 0.000 0.452 346 E N -0.040 120.166 120.200 0.009 0.000 2.347 346 E HA -0.082 4.255 4.350 -0.022 0.000 0.196 346 E C 2.215 178.850 176.600 0.059 0.000 1.008 346 E CA 0.911 57.327 56.400 0.027 0.000 0.852 346 E CB -0.141 29.568 29.700 0.014 0.000 0.783 346 E HN 0.625 nan 8.360 nan 0.000 0.505 347 A N 0.910 123.771 122.820 0.069 0.000 1.898 347 A HA -0.095 4.212 4.320 -0.022 0.000 0.214 347 A C 2.078 179.725 177.584 0.105 0.000 1.183 347 A CA 0.669 52.769 52.037 0.105 0.000 0.622 347 A CB -0.309 18.766 19.000 0.125 0.000 0.824 347 A HN 0.109 nan 8.150 nan 0.000 0.444 348 I N -0.200 120.419 120.570 0.082 0.000 2.226 348 I HA -0.240 3.917 4.170 -0.022 0.000 0.245 348 I C 2.194 178.387 176.117 0.126 0.000 1.100 348 I CA 1.258 62.611 61.300 0.088 0.000 1.374 348 I CB -0.368 37.667 38.000 0.059 0.000 1.057 348 I HN 0.253 nan 8.210 nan 0.000 0.413 349 I N 0.440 121.068 120.570 0.097 0.000 2.264 349 I HA -0.284 3.872 4.170 -0.022 0.000 0.248 349 I C 2.291 178.536 176.117 0.212 0.000 1.111 349 I CA 1.489 62.857 61.300 0.113 0.000 1.382 349 I CB -0.237 37.787 38.000 0.041 0.000 1.060 349 I HN 0.208 nan 8.210 nan 0.000 0.418 350 L N -0.383 120.942 121.223 0.170 0.000 2.478 350 L HA -0.086 4.240 4.340 -0.022 0.000 0.223 350 L C 2.220 179.204 176.870 0.191 0.000 1.140 350 L CA 0.281 55.229 54.840 0.181 0.000 0.842 350 L CB -0.094 42.051 42.059 0.144 0.000 0.953 350 L HN 0.077 nan 8.230 nan 0.000 0.452 351 V N -0.956 119.070 119.914 0.186 0.000 2.346 351 V HA -0.256 3.851 4.120 -0.022 0.000 0.244 351 V C 2.123 178.336 176.094 0.198 0.000 1.037 351 V CA 1.446 63.840 62.300 0.156 0.000 1.029 351 V CB -0.577 31.314 31.823 0.115 0.000 0.663 351 V HN 0.324 nan 8.190 nan 0.000 0.454 352 F N 0.819 120.829 119.950 0.099 0.000 2.043 352 F HA -0.292 4.222 4.527 -0.022 0.000 0.297 352 F C 2.090 178.013 175.800 0.205 0.000 1.118 352 F CA 2.101 60.176 58.000 0.126 0.000 1.202 352 F CB -0.274 38.789 39.000 0.106 0.000 0.965 352 F HN 0.016 nan 8.300 nan 0.000 0.482 353 L N -0.779 120.704 121.223 0.433 0.000 2.056 353 L HA -0.208 4.119 4.340 -0.022 0.000 0.207 353 L C 2.277 179.303 176.870 0.261 0.000 1.078 353 L CA 0.956 56.017 54.840 0.369 0.000 0.749 353 L CB -0.698 41.568 42.059 0.344 0.000 0.901 353 L HN 0.053 nan 8.230 nan 0.000 0.433 354 V N -0.841 119.207 119.914 0.222 0.000 2.548 354 V HA -0.259 3.848 4.120 -0.022 0.000 0.249 354 V C 2.336 178.549 176.094 0.198 0.000 1.055 354 V CA 1.477 63.911 62.300 0.223 0.000 1.065 354 V CB -0.197 31.739 31.823 0.189 0.000 0.681 354 V HN 0.369 nan 8.190 nan 0.000 0.462 355 M N -0.750 118.921 119.600 0.118 0.000 2.099 355 M HA -0.182 4.284 4.480 -0.022 0.000 0.262 355 M C 2.135 178.498 176.300 0.105 0.000 1.067 355 M CA 2.067 57.406 55.300 0.065 0.000 1.124 355 M CB -0.502 32.103 32.600 0.008 0.000 1.353 355 M HN 0.437 nan 8.290 nan 0.000 0.410 356 Y N 0.290 120.550 120.300 -0.067 0.000 2.163 356 Y HA -0.055 4.482 4.550 -0.022 0.000 0.288 356 Y C 1.137 177.088 175.900 0.085 0.000 1.136 356 Y CA 1.570 59.637 58.100 -0.054 0.000 1.147 356 Y CB -0.349 37.993 38.460 -0.196 0.000 0.987 356 Y HN 0.184 nan 8.280 nan 0.000 0.509 357 L N -0.234 120.970 121.223 -0.031 0.000 2.715 357 L HA 0.051 4.378 4.340 -0.022 0.000 0.238 357 L C 0.524 177.392 176.870 -0.003 0.000 1.212 357 L CA 0.436 55.240 54.840 -0.061 0.000 1.017 357 L CB -0.465 41.639 42.059 0.075 0.000 1.269 357 L HN 0.279 nan 8.230 nan 0.000 0.452 358 F N -2.060 117.828 119.950 -0.103 0.000 2.764 358 F HA 0.199 4.713 4.527 -0.022 0.000 0.342 358 F C 1.322 177.032 175.800 -0.149 0.000 0.873 358 F CA -0.018 57.874 58.000 -0.181 0.000 1.086 358 F CB 0.792 39.678 39.000 -0.191 0.000 0.937 358 F HN -0.156 nan 8.300 nan 0.000 0.623 359 L N 0.977 122.274 121.223 0.123 0.000 2.858 359 L HA 0.128 4.455 4.340 -0.022 0.000 0.251 359 L C 0.202 177.093 176.870 0.035 0.000 1.149 359 L CA 0.047 54.924 54.840 0.062 0.000 0.955 359 L CB 0.181 42.265 42.059 0.042 0.000 1.289 359 L HN 0.075 nan 8.230 nan 0.000 0.542 360 Q N 1.009 120.796 119.800 -0.022 0.000 2.383 360 Q HA -0.302 4.025 4.340 -0.022 0.000 0.370 360 Q C -0.474 175.601 176.000 0.126 0.000 1.315 360 Q CA 0.943 56.714 55.803 -0.054 0.000 1.158 360 Q CB -2.047 26.635 28.738 -0.093 0.000 1.352 360 Q HN 0.694 nan 8.270 nan 0.000 0.346 361 N N 0.135 118.982 118.700 0.246 0.000 2.655 361 N HA 0.183 4.910 4.740 -0.022 0.000 0.277 361 N C -0.593 175.048 175.510 0.219 0.000 1.177 361 N CA -0.458 52.711 53.050 0.199 0.000 0.882 361 N CB 0.524 39.067 38.487 0.092 0.000 1.481 361 N HN 0.225 nan 8.380 nan 0.000 0.547 362 F N 4.645 124.631 119.950 0.060 0.000 2.451 362 F HA 0.010 4.524 4.527 -0.022 0.000 0.299 362 F C 2.285 178.075 175.800 -0.017 0.000 1.101 362 F CA 1.325 59.291 58.000 -0.057 0.000 1.436 362 F CB 0.225 39.172 39.000 -0.089 0.000 1.074 362 F HN 0.565 nan 8.300 nan 0.000 0.553 363 R N -0.132 120.322 120.500 -0.077 0.000 2.112 363 R HA 0.218 4.545 4.340 -0.022 0.000 0.216 363 R C 2.235 178.471 176.300 -0.107 0.000 1.080 363 R CA 0.957 56.976 56.100 -0.135 0.000 0.996 363 R CB -1.145 29.138 30.300 -0.027 0.000 0.902 363 R HN 0.149 nan 8.270 nan 0.000 0.449 364 A N 1.162 123.950 122.820 -0.054 0.000 2.019 364 A HA -0.119 4.188 4.320 -0.022 0.000 0.219 364 A C 2.223 179.768 177.584 -0.065 0.000 1.164 364 A CA 1.854 53.866 52.037 -0.042 0.000 0.644 364 A CB -0.810 18.182 19.000 -0.012 0.000 0.805 364 A HN 0.420 nan 8.150 nan 0.000 0.449 365 T N -0.747 113.740 114.554 -0.111 0.000 3.023 365 T HA 0.081 4.417 4.350 -0.022 0.000 0.266 365 T C 1.601 176.250 174.700 -0.084 0.000 1.093 365 T CA 0.893 62.907 62.100 -0.143 0.000 1.129 365 T CB -0.402 68.261 68.868 -0.340 0.000 0.899 365 T HN 0.395 nan 8.240 nan 0.000 0.491 366 L N 0.189 121.339 121.223 -0.122 0.000 2.240 366 L HA 0.109 4.435 4.340 -0.022 0.000 0.211 366 L C 2.233 179.093 176.870 -0.016 0.000 1.106 366 L CA 0.639 55.443 54.840 -0.060 0.000 0.793 366 L CB -0.342 41.637 42.059 -0.134 0.000 0.927 366 L HN 0.323 nan 8.230 nan 0.000 0.446 367 I N 0.489 121.039 120.570 -0.034 0.000 2.127 367 I HA -0.216 3.941 4.170 -0.022 0.000 0.241 367 I C -0.416 175.678 176.117 -0.039 0.000 1.075 367 I CA 1.490 62.766 61.300 -0.040 0.000 1.334 367 I CB -1.480 36.489 38.000 -0.051 0.000 1.040 367 I HN 0.216 nan 8.210 nan 0.000 0.405 368 P HA -0.061 nan 4.420 nan 0.000 0.223 368 P C 1.386 178.694 177.300 0.013 0.000 1.151 368 P CA 1.225 64.317 63.100 -0.013 0.000 0.787 368 P CB -0.154 31.544 31.700 -0.002 0.000 0.788 369 T N -0.948 113.630 114.554 0.040 0.000 2.995 369 T HA 0.035 4.372 4.350 -0.022 0.000 0.269 369 T C 1.593 176.315 174.700 0.037 0.000 1.091 369 T CA 0.901 63.038 62.100 0.061 0.000 1.128 369 T CB -0.563 68.370 68.868 0.108 0.000 0.891 369 T HN 0.127 nan 8.240 nan 0.000 0.492 370 I N 0.789 121.369 120.570 0.017 0.000 2.867 370 I HA 0.134 4.291 4.170 -0.022 0.000 0.265 370 I C 2.763 178.855 176.117 -0.043 0.000 1.162 370 I CA 0.398 61.703 61.300 0.007 0.000 1.471 370 I CB -0.298 37.703 38.000 0.002 0.000 1.123 370 I HN 0.128 nan 8.210 nan 0.000 0.440 371 A N 1.150 123.933 122.820 -0.062 0.000 1.855 371 A HA -0.149 4.158 4.320 -0.022 0.000 0.215 371 A C 2.446 179.995 177.584 -0.059 0.000 1.191 371 A CA 2.075 54.061 52.037 -0.086 0.000 0.613 371 A CB -1.054 17.893 19.000 -0.088 0.000 0.829 371 A HN 0.292 nan 8.150 nan 0.000 0.442 372 V N -2.654 117.240 119.914 -0.033 0.000 2.427 372 V HA -0.062 4.045 4.120 -0.022 0.000 0.248 372 V C -0.360 175.728 176.094 -0.009 0.000 1.051 372 V CA 1.786 64.072 62.300 -0.024 0.000 1.048 372 V CB -2.111 29.705 31.823 -0.011 0.000 0.666 372 V HN 0.345 nan 8.190 nan 0.000 0.456 373 P HA -0.039 nan 4.420 nan 0.000 0.218 373 P C 2.060 179.374 177.300 0.023 0.000 1.149 373 P CA 1.353 64.468 63.100 0.026 0.000 0.817 373 P CB -0.142 31.578 31.700 0.033 0.000 0.785 374 V N -0.543 119.369 119.914 -0.003 0.000 2.358 374 V HA -0.189 3.917 4.120 -0.022 0.000 0.246 374 V C 2.439 178.516 176.094 -0.027 0.000 1.047 374 V CA 1.673 63.964 62.300 -0.016 0.000 1.035 374 V CB -1.125 30.664 31.823 -0.057 0.000 0.658 374 V HN -0.032 nan 8.190 nan 0.000 0.452 375 V N -0.188 119.699 119.914 -0.046 0.000 2.237 375 V HA -0.274 3.833 4.120 -0.022 0.000 0.245 375 V C 2.339 178.399 176.094 -0.056 0.000 1.046 375 V CA 2.105 64.367 62.300 -0.062 0.000 1.007 375 V CB -0.613 31.166 31.823 -0.073 0.000 0.638 375 V HN 0.416 nan 8.190 nan 0.000 0.445 376 L N -0.800 120.404 121.223 -0.032 0.000 2.013 376 L HA -0.248 4.078 4.340 -0.022 0.000 0.212 376 L C 2.487 179.400 176.870 0.071 0.000 1.073 376 L CA 1.711 56.533 54.840 -0.030 0.000 0.753 376 L CB -0.589 41.495 42.059 0.041 0.000 0.890 376 L HN 0.294 nan 8.230 nan 0.000 0.432 377 L N -0.585 120.735 121.223 0.161 0.000 2.042 377 L HA -0.174 4.153 4.340 -0.022 0.000 0.210 377 L C 2.634 179.597 176.870 0.154 0.000 1.076 377 L CA 1.515 56.500 54.840 0.242 0.000 0.749 377 L CB -1.016 41.115 42.059 0.119 0.000 0.893 377 L HN 0.337 nan 8.230 nan 0.000 0.432 378 G N -1.192 107.631 108.800 0.038 0.000 2.422 378 G HA2 -0.242 3.705 3.960 -0.022 0.000 0.218 378 G HA3 -0.242 3.705 3.960 -0.022 0.000 0.218 378 G C 1.533 176.395 174.900 -0.064 0.000 1.146 378 G CA 1.286 46.374 45.100 -0.019 0.000 0.769 378 G HN 0.337 nan 8.290 nan 0.000 0.547 379 T N 1.124 115.606 114.554 -0.119 0.000 2.708 379 T HA -0.106 4.231 4.350 -0.022 0.000 0.266 379 T C 2.048 176.611 174.700 -0.229 0.000 1.037 379 T CA 1.149 63.111 62.100 -0.230 0.000 1.146 379 T CB -0.409 68.255 68.868 -0.340 0.000 0.865 379 T HN 0.289 nan 8.240 nan 0.000 0.435 380 F N 1.808 121.716 119.950 -0.071 0.000 2.126 380 F HA -0.095 4.418 4.527 -0.023 0.000 0.299 380 F C 2.791 178.548 175.800 -0.072 0.000 1.096 380 F CA 0.887 58.852 58.000 -0.057 0.000 1.255 380 F CB -0.652 38.325 39.000 -0.039 0.000 0.997 380 F HN 0.136 nan 8.300 nan 0.000 0.479 381 A N 0.016 122.896 122.820 0.100 0.000 1.908 381 A HA -0.165 4.141 4.320 -0.022 0.000 0.218 381 A C 2.327 179.855 177.584 -0.095 0.000 1.181 381 A CA 2.070 54.110 52.037 0.004 0.000 0.627 381 A CB -1.250 17.741 19.000 -0.015 0.000 0.818 381 A HN 0.182 nan 8.150 nan 0.000 0.445 382 V N 0.139 119.950 119.914 -0.172 0.000 2.295 382 V HA -0.273 3.834 4.120 -0.022 0.000 0.246 382 V C 2.577 178.440 176.094 -0.385 0.000 1.049 382 V CA 2.007 64.095 62.300 -0.353 0.000 1.024 382 V CB -0.865 30.740 31.823 -0.364 0.000 0.648 382 V HN 0.577 nan 8.190 nan 0.000 0.447 383 L N 0.172 121.261 121.223 -0.224 0.000 2.042 383 L HA -0.212 4.115 4.340 -0.022 0.000 0.210 383 L C 2.755 179.648 176.870 0.039 0.000 1.076 383 L CA 1.654 56.422 54.840 -0.121 0.000 0.749 383 L CB -0.877 41.182 42.059 0.000 0.000 0.893 383 L HN 0.379 nan 8.230 nan 0.000 0.432 384 A N 0.104 122.944 122.820 0.033 0.000 1.883 384 A HA -0.200 4.107 4.320 -0.022 0.000 0.217 384 A C 2.518 180.127 177.584 0.041 0.000 1.186 384 A CA 1.853 53.927 52.037 0.062 0.000 0.624 384 A CB -0.753 18.273 19.000 0.044 0.000 0.822 384 A HN 0.413 nan 8.150 nan 0.000 0.444 385 A N -1.611 121.170 122.820 -0.066 0.000 2.015 385 A HA 0.072 4.378 4.320 -0.022 0.000 0.219 385 A C 1.630 179.276 177.584 0.103 0.000 1.163 385 A CA 0.952 52.942 52.037 -0.078 0.000 0.646 385 A CB -0.594 18.251 19.000 -0.258 0.000 0.806 385 A HN 0.567 nan 8.150 nan 0.000 0.448 386 F N -0.778 119.186 119.950 0.023 0.000 2.639 386 F HA 0.316 4.830 4.527 -0.022 0.000 0.300 386 F C 1.764 177.719 175.800 0.258 0.000 1.109 386 F CA 0.070 58.115 58.000 0.074 0.000 1.335 386 F CB 0.305 39.256 39.000 -0.082 0.000 1.014 386 F HN 0.393 nan 8.300 nan 0.000 0.537 387 G N 0.953 109.968 108.800 0.359 0.000 2.175 387 G HA2 -0.351 3.595 3.960 -0.022 0.000 0.265 387 G HA3 -0.351 3.595 3.960 -0.022 0.000 0.265 387 G C 0.326 175.416 174.900 0.317 0.000 0.979 387 G CA -0.117 45.149 45.100 0.276 0.000 0.663 387 G HN 0.364 nan 8.290 nan 0.000 0.533 388 F N 1.298 121.310 119.950 0.103 0.000 2.527 388 F HA 0.435 4.948 4.527 -0.023 0.000 0.316 388 F C 1.423 177.260 175.800 0.062 0.000 1.258 388 F CA 0.460 58.506 58.000 0.076 0.000 1.314 388 F CB 0.730 39.778 39.000 0.079 0.000 1.200 388 F HN 0.339 nan 8.300 nan 0.000 0.577 389 S N 0.122 115.939 115.700 0.195 0.000 2.599 389 S HA 0.584 5.041 4.470 -0.022 0.000 0.287 389 S C -0.877 173.805 174.600 0.137 0.000 1.105 389 S CA -1.016 57.261 58.200 0.128 0.000 0.899 389 S CB 1.458 64.692 63.200 0.057 0.000 1.100 389 S HN 0.440 nan 8.310 nan 0.000 0.482 390 I N 3.440 124.084 120.570 0.122 0.000 2.389 390 I HA 0.221 4.377 4.170 -0.022 0.000 0.295 390 I C -0.063 176.085 176.117 0.052 0.000 1.117 390 I CA 0.052 61.424 61.300 0.120 0.000 1.317 390 I CB -0.868 37.199 38.000 0.112 0.000 1.431 390 I HN 0.792 nan 8.210 nan 0.000 0.521 391 N N 1.620 120.340 118.700 0.033 0.000 2.647 391 N HA 0.329 5.056 4.740 -0.022 0.000 0.266 391 N C 0.421 175.909 175.510 -0.037 0.000 1.373 391 N CA -0.875 52.162 53.050 -0.022 0.000 0.807 391 N CB 0.749 39.223 38.487 -0.021 0.000 1.513 391 N HN 0.142 nan 8.380 nan 0.000 0.505 392 T N 0.109 114.603 114.554 -0.100 0.000 2.680 392 T HA -0.175 4.161 4.350 -0.022 0.000 0.268 392 T C 1.445 176.287 174.700 0.238 0.000 1.033 392 T CA 1.660 63.780 62.100 0.034 0.000 1.152 392 T CB -0.493 68.293 68.868 -0.138 0.000 0.859 392 T HN 0.424 nan 8.240 nan 0.000 0.452 393 L N 0.973 122.242 121.223 0.077 0.000 2.072 393 L HA -0.063 4.264 4.340 -0.022 0.000 0.205 393 L C 3.115 179.806 176.870 -0.299 0.000 1.079 393 L CA 1.640 56.378 54.840 -0.171 0.000 0.752 393 L CB -1.254 40.605 42.059 -0.333 0.000 0.906 393 L HN 0.460 nan 8.230 nan 0.000 0.436 394 T N -3.317 111.171 114.554 -0.110 0.000 2.904 394 T HA -0.099 4.238 4.350 -0.022 0.000 0.267 394 T C 1.905 176.605 174.700 -0.002 0.000 1.059 394 T CA 0.643 62.720 62.100 -0.039 0.000 1.137 394 T CB -0.075 68.827 68.868 0.057 0.000 0.879 394 T HN -0.000 nan 8.240 nan 0.000 0.467 395 M N 0.537 120.141 119.600 0.006 0.000 2.156 395 M HA 0.280 4.747 4.480 -0.022 0.000 0.264 395 M C 1.890 178.139 176.300 -0.084 0.000 1.067 395 M CA 0.818 56.080 55.300 -0.064 0.000 1.131 395 M CB -1.408 31.098 32.600 -0.157 0.000 1.368 395 M HN 0.283 nan 8.290 nan 0.000 0.416 396 F N -0.024 120.023 119.950 0.162 0.000 2.558 396 F HA 0.037 4.550 4.527 -0.023 0.000 0.298 396 F C 2.342 178.361 175.800 0.364 0.000 1.119 396 F CA 0.628 58.798 58.000 0.284 0.000 1.451 396 F CB -0.636 38.641 39.000 0.461 0.000 1.091 396 F HN 0.228 nan 8.300 nan 0.000 0.563 397 G N 0.024 109.088 108.800 0.440 0.000 2.421 397 G HA2 -0.256 3.691 3.960 -0.022 0.000 0.216 397 G HA3 -0.256 3.691 3.960 -0.022 0.000 0.216 397 G C 1.675 176.687 174.900 0.186 0.000 1.171 397 G CA 0.657 45.984 45.100 0.379 0.000 0.775 397 G HN 0.229 nan 8.290 nan 0.000 0.543 398 M N -0.119 119.524 119.600 0.071 0.000 2.132 398 M HA -0.028 4.438 4.480 -0.022 0.000 0.263 398 M C 2.681 179.015 176.300 0.057 0.000 1.065 398 M CA 0.796 56.091 55.300 -0.008 0.000 1.122 398 M CB -0.144 32.392 32.600 -0.107 0.000 1.365 398 M HN 0.104 nan 8.290 nan 0.000 0.411 399 V N 0.282 120.258 119.914 0.104 0.000 2.490 399 V HA -0.245 3.862 4.120 -0.022 0.000 0.250 399 V C 2.164 178.404 176.094 0.244 0.000 1.061 399 V CA 1.167 63.562 62.300 0.159 0.000 1.064 399 V CB -0.558 31.366 31.823 0.168 0.000 0.670 399 V HN 0.388 nan 8.190 nan 0.000 0.461 400 L N -0.005 121.376 121.223 0.264 0.000 2.376 400 L HA 0.102 4.429 4.340 -0.022 0.000 0.219 400 L C 2.128 179.119 176.870 0.203 0.000 1.133 400 L CA 1.876 56.880 54.840 0.274 0.000 0.816 400 L CB -0.953 41.273 42.059 0.279 0.000 0.933 400 L HN 0.321 nan 8.230 nan 0.000 0.449 401 A N -1.571 121.315 122.820 0.110 0.000 2.343 401 A HA 0.189 4.496 4.320 -0.022 0.000 0.223 401 A C 1.928 179.482 177.584 -0.050 0.000 1.214 401 A CA -0.028 52.007 52.037 -0.005 0.000 0.900 401 A CB -0.276 18.683 19.000 -0.067 0.000 0.942 401 A HN 0.370 nan 8.150 nan 0.000 0.507 402 I N -0.661 119.917 120.570 0.014 0.000 2.614 402 I HA -0.049 4.108 4.170 -0.022 0.000 0.258 402 I C 2.351 178.312 176.117 -0.260 0.000 1.189 402 I CA 0.980 62.264 61.300 -0.028 0.000 1.462 402 I CB -0.639 37.430 38.000 0.116 0.000 1.092 402 I HN 0.203 nan 8.210 nan 0.000 0.442 403 G N 1.981 110.365 108.800 -0.693 0.000 2.446 403 G HA2 -0.180 3.767 3.960 -0.022 0.000 0.217 403 G HA3 -0.180 3.767 3.960 -0.022 0.000 0.217 403 G C 1.526 176.109 174.900 -0.529 0.000 1.168 403 G CA 0.781 45.087 45.100 -1.324 0.000 0.771 403 G HN 0.192 nan 8.290 nan 0.000 0.551 404 L N 0.373 121.418 121.223 -0.297 0.000 2.068 404 L HA 0.209 4.535 4.340 -0.022 0.000 0.204 404 L C 2.941 179.738 176.870 -0.121 0.000 1.076 404 L CA 0.806 55.558 54.840 -0.147 0.000 0.753 404 L CB -1.023 41.001 42.059 -0.058 0.000 0.910 404 L HN 0.178 nan 8.230 nan 0.000 0.439 405 L N -1.632 119.520 121.223 -0.119 0.000 2.017 405 L HA -0.196 4.131 4.340 -0.022 0.000 0.208 405 L C 2.485 179.304 176.870 -0.085 0.000 1.073 405 L CA 0.838 55.623 54.840 -0.091 0.000 0.745 405 L CB -0.804 41.208 42.059 -0.078 0.000 0.894 405 L HN 0.070 nan 8.230 nan 0.000 0.432 406 V N 0.108 119.964 119.914 -0.096 0.000 2.427 406 V HA -0.300 3.806 4.120 -0.022 0.000 0.248 406 V C 2.154 178.198 176.094 -0.082 0.000 1.051 406 V CA 2.096 64.353 62.300 -0.072 0.000 1.048 406 V CB -0.434 31.357 31.823 -0.053 0.000 0.666 406 V HN 0.457 nan 8.190 nan 0.000 0.456 407 D N -0.097 120.236 120.400 -0.112 0.000 2.104 407 D HA -0.210 4.417 4.640 -0.022 0.000 0.194 407 D C 1.845 178.097 176.300 -0.079 0.000 0.994 407 D CA 1.419 55.360 54.000 -0.099 0.000 0.830 407 D CB -0.070 40.664 40.800 -0.109 0.000 0.959 407 D HN 0.367 nan 8.370 nan 0.000 0.452 408 D N -0.460 119.896 120.400 -0.073 0.000 2.149 408 D HA -0.133 4.494 4.640 -0.022 0.000 0.198 408 D C 1.943 178.205 176.300 -0.064 0.000 0.990 408 D CA 1.237 55.199 54.000 -0.063 0.000 0.839 408 D CB -0.354 40.409 40.800 -0.062 0.000 0.948 408 D HN 0.310 nan 8.370 nan 0.000 0.460 409 A N 0.520 123.301 122.820 -0.066 0.000 1.898 409 A HA -0.095 4.211 4.320 -0.022 0.000 0.216 409 A C 2.388 179.936 177.584 -0.060 0.000 1.181 409 A CA 0.731 52.730 52.037 -0.062 0.000 0.620 409 A CB -0.543 18.425 19.000 -0.054 0.000 0.819 409 A HN 0.170 nan 8.150 nan 0.000 0.442 410 I N -0.609 119.923 120.570 -0.064 0.000 2.163 410 I HA -0.188 3.969 4.170 -0.022 0.000 0.240 410 I C 2.374 178.443 176.117 -0.080 0.000 1.081 410 I CA 1.035 62.290 61.300 -0.074 0.000 1.353 410 I CB -0.352 37.596 38.000 -0.087 0.000 1.054 410 I HN 0.138 nan 8.210 nan 0.000 0.407 411 V N 0.613 120.480 119.914 -0.077 0.000 2.332 411 V HA -0.268 3.839 4.120 -0.022 0.000 0.248 411 V C 2.452 178.518 176.094 -0.048 0.000 1.055 411 V CA 1.671 63.928 62.300 -0.072 0.000 1.038 411 V CB -0.461 31.324 31.823 -0.064 0.000 0.651 411 V HN 0.237 nan 8.190 nan 0.000 0.450 412 V N -0.441 119.448 119.914 -0.042 0.000 2.261 412 V HA -0.233 3.874 4.120 -0.022 0.000 0.246 412 V C 2.380 178.454 176.094 -0.033 0.000 1.047 412 V CA 2.124 64.405 62.300 -0.032 0.000 1.015 412 V CB -0.430 31.368 31.823 -0.042 0.000 0.642 412 V HN 0.407 nan 8.190 nan 0.000 0.446 413 V N -0.270 119.617 119.914 -0.045 0.000 2.307 413 V HA -0.212 3.895 4.120 -0.022 0.000 0.245 413 V C 2.603 178.671 176.094 -0.043 0.000 1.045 413 V CA 2.049 64.323 62.300 -0.043 0.000 1.024 413 V CB -0.632 31.163 31.823 -0.048 0.000 0.651 413 V HN 0.585 nan 8.190 nan 0.000 0.449 414 E N 0.708 120.873 120.200 -0.059 0.000 2.085 414 E HA -0.274 4.062 4.350 -0.022 0.000 0.194 414 E C 2.070 178.643 176.600 -0.045 0.000 0.994 414 E CA 1.738 58.096 56.400 -0.071 0.000 0.801 414 E CB -0.279 29.354 29.700 -0.113 0.000 0.743 414 E HN 0.580 nan 8.360 nan 0.000 0.453 415 N N 0.001 118.687 118.700 -0.024 0.000 2.069 415 N HA -0.147 4.579 4.740 -0.022 0.000 0.191 415 N C 1.939 177.459 175.510 0.017 0.000 1.031 415 N CA 1.725 54.788 53.050 0.022 0.000 0.852 415 N CB -0.211 38.317 38.487 0.068 0.000 1.018 415 N HN 0.004 nan 8.380 nan 0.000 0.423 416 V N 1.096 121.011 119.914 0.001 0.000 2.332 416 V HA -0.160 3.947 4.120 -0.022 0.000 0.248 416 V C 2.130 178.216 176.094 -0.013 0.000 1.055 416 V CA 1.546 63.843 62.300 -0.005 0.000 1.038 416 V CB -0.514 31.303 31.823 -0.010 0.000 0.651 416 V HN 0.336 nan 8.190 nan 0.000 0.450 417 E N -0.013 120.174 120.200 -0.022 0.000 2.150 417 E HA -0.177 4.160 4.350 -0.022 0.000 0.193 417 E C 2.350 178.925 176.600 -0.043 0.000 0.985 417 E CA 0.842 57.223 56.400 -0.031 0.000 0.814 417 E CB -0.188 29.491 29.700 -0.034 0.000 0.752 417 E HN 0.508 nan 8.360 nan 0.000 0.466 418 R N 0.670 121.150 120.500 -0.034 0.000 2.100 418 R HA -0.016 4.311 4.340 -0.022 0.000 0.220 418 R C 2.281 178.569 176.300 -0.019 0.000 1.091 418 R CA 0.455 56.535 56.100 -0.034 0.000 0.986 418 R CB 0.098 30.392 30.300 -0.009 0.000 0.888 418 R HN -0.025 nan 8.270 nan 0.000 0.444 419 V N 1.372 121.285 119.914 -0.001 0.000 2.343 419 V HA -0.275 3.831 4.120 -0.022 0.000 0.247 419 V C 2.388 178.475 176.094 -0.012 0.000 1.051 419 V CA 1.814 64.115 62.300 0.003 0.000 1.036 419 V CB -0.289 31.538 31.823 0.008 0.000 0.654 419 V HN 0.359 nan 8.190 nan 0.000 0.451 420 M N -0.301 119.286 119.600 -0.021 0.000 2.175 420 M HA -0.074 4.393 4.480 -0.022 0.000 0.264 420 M C 2.166 178.441 176.300 -0.041 0.000 1.063 420 M CA 1.930 57.215 55.300 -0.025 0.000 1.119 420 M CB -0.481 32.105 32.600 -0.023 0.000 1.377 420 M HN 0.358 nan 8.290 nan 0.000 0.415 421 A N -0.716 122.061 122.820 -0.073 0.000 2.206 421 A HA -0.077 4.229 4.320 -0.022 0.000 0.211 421 A C 1.849 179.359 177.584 -0.123 0.000 1.158 421 A CA 1.220 53.177 52.037 -0.134 0.000 0.761 421 A CB -0.402 18.457 19.000 -0.236 0.000 0.801 421 A HN 0.515 nan 8.150 nan 0.000 0.473 422 E N -1.088 119.081 120.200 -0.052 0.000 2.290 422 E HA 0.040 4.377 4.350 -0.022 0.000 0.199 422 E C 1.655 178.263 176.600 0.014 0.000 0.912 422 E CA 0.514 56.916 56.400 0.004 0.000 0.924 422 E CB 0.311 30.025 29.700 0.024 0.000 0.901 422 E HN 0.670 nan 8.360 nan 0.000 0.487 423 E N -1.474 118.727 120.200 0.002 0.000 2.288 423 E HA 0.225 4.561 4.350 -0.022 0.000 0.200 423 E C 0.717 177.316 176.600 -0.000 0.000 0.880 423 E CA 0.521 56.923 56.400 0.003 0.000 0.971 423 E CB 1.310 31.011 29.700 0.000 0.000 0.954 423 E HN 0.227 nan 8.360 nan 0.000 0.489 424 G N 1.424 110.220 108.800 -0.006 0.000 2.148 424 G HA2 -0.175 3.771 3.960 -0.022 0.000 0.157 424 G HA3 -0.175 3.771 3.960 -0.022 0.000 0.157 424 G C -0.032 174.865 174.900 -0.005 0.000 1.012 424 G CA -0.368 44.729 45.100 -0.006 0.000 0.677 424 G HN 0.030 nan 8.290 nan 0.000 0.506 425 L N 2.271 123.490 121.223 -0.006 0.000 2.439 425 L HA 0.374 4.701 4.340 -0.022 0.000 0.269 425 L C -0.988 175.878 176.870 -0.005 0.000 1.179 425 L CA -1.783 53.054 54.840 -0.006 0.000 0.828 425 L CB 0.471 42.526 42.059 -0.007 0.000 1.106 425 L HN 0.007 nan 8.230 nan 0.000 0.467 426 P HA 0.032 nan 4.420 nan 0.000 0.269 426 P C -2.201 175.098 177.300 -0.002 0.000 1.217 426 P CA -1.200 61.899 63.100 -0.002 0.000 0.783 426 P CB -0.055 31.644 31.700 -0.001 0.000 0.898 427 P HA -0.200 nan 4.420 nan 0.000 0.215 427 P C 1.203 178.504 177.300 0.001 0.000 1.163 427 P CA 2.093 65.194 63.100 0.001 0.000 0.894 427 P CB -0.014 31.689 31.700 0.005 0.000 0.791 428 K N -0.458 119.943 120.400 0.003 0.000 2.057 428 K HA -0.162 4.145 4.320 -0.022 0.000 0.206 428 K C 2.327 178.926 176.600 -0.001 0.000 1.050 428 K CA 1.361 57.650 56.287 0.003 0.000 0.935 428 K CB -0.353 32.149 32.500 0.004 0.000 0.715 428 K HN 0.054 nan 8.250 nan 0.000 0.439 429 E N 0.855 121.053 120.200 -0.003 0.000 2.107 429 E HA -0.070 4.266 4.350 -0.022 0.000 0.191 429 E C 1.776 178.371 176.600 -0.007 0.000 0.982 429 E CA 1.172 57.568 56.400 -0.006 0.000 0.809 429 E CB -0.083 29.613 29.700 -0.006 0.000 0.756 429 E HN 0.304 nan 8.360 nan 0.000 0.459 430 A N -0.444 122.373 122.820 -0.006 0.000 1.930 430 A HA -0.150 4.156 4.320 -0.022 0.000 0.217 430 A C 2.361 179.942 177.584 -0.005 0.000 1.175 430 A CA 1.985 54.019 52.037 -0.006 0.000 0.627 430 A CB -0.945 18.051 19.000 -0.006 0.000 0.815 430 A HN 0.342 nan 8.150 nan 0.000 0.443 431 T N -0.665 113.887 114.554 -0.003 0.000 2.746 431 T HA -0.151 4.186 4.350 -0.022 0.000 0.267 431 T C 2.067 176.766 174.700 -0.002 0.000 1.039 431 T CA 1.481 63.580 62.100 -0.002 0.000 1.142 431 T CB -0.226 68.642 68.868 -0.000 0.000 0.866 431 T HN 0.510 nan 8.240 nan 0.000 0.444 432 R N 0.996 121.494 120.500 -0.003 0.000 2.080 432 R HA -0.150 4.177 4.340 -0.022 0.000 0.236 432 R C 2.502 178.794 176.300 -0.012 0.000 1.137 432 R CA 1.882 57.980 56.100 -0.004 0.000 0.943 432 R CB -0.145 30.152 30.300 -0.006 0.000 0.846 432 R HN 0.256 nan 8.270 nan 0.000 0.431 433 K N 0.237 120.627 120.400 -0.016 0.000 2.026 433 K HA -0.109 4.198 4.320 -0.022 0.000 0.208 433 K C 1.974 178.555 176.600 -0.032 0.000 1.048 433 K CA 2.206 58.477 56.287 -0.027 0.000 0.929 433 K CB -0.239 32.245 32.500 -0.025 0.000 0.713 433 K HN 0.230 nan 8.250 nan 0.000 0.439 434 S N 0.031 115.722 115.700 -0.015 0.000 2.383 434 S HA -0.115 4.342 4.470 -0.022 0.000 0.227 434 S C 2.023 176.623 174.600 0.001 0.000 1.026 434 S CA 1.081 59.281 58.200 -0.001 0.000 0.981 434 S CB -0.311 62.902 63.200 0.022 0.000 0.818 434 S HN 0.211 nan 8.310 nan 0.000 0.472 435 M N 1.827 121.425 119.600 -0.003 0.000 2.159 435 M HA 0.037 4.503 4.480 -0.022 0.000 0.263 435 M C 2.456 178.747 176.300 -0.016 0.000 1.063 435 M CA 1.493 56.791 55.300 -0.002 0.000 1.110 435 M CB -2.078 30.523 32.600 0.002 0.000 1.374 435 M HN 0.586 nan 8.290 nan 0.000 0.411 436 G N -0.627 108.155 108.800 -0.030 0.000 2.448 436 G HA2 -0.217 3.729 3.960 -0.022 0.000 0.219 436 G HA3 -0.217 3.729 3.960 -0.022 0.000 0.219 436 G C 1.515 176.369 174.900 -0.076 0.000 1.127 436 G CA 0.402 45.473 45.100 -0.047 0.000 0.766 436 G HN 0.510 nan 8.290 nan 0.000 0.552 437 Q N -0.604 119.138 119.800 -0.096 0.000 2.331 437 Q HA 0.153 4.480 4.340 -0.022 0.000 0.203 437 Q C 2.385 178.333 176.000 -0.087 0.000 0.944 437 Q CA 0.951 56.644 55.803 -0.184 0.000 0.892 437 Q CB 0.032 28.584 28.738 -0.309 0.000 0.983 437 Q HN 0.821 nan 8.270 nan 0.000 0.482 438 I N -4.591 115.979 120.570 0.001 0.000 4.244 438 I HA 0.066 4.223 4.170 -0.022 0.000 0.318 438 I C 1.856 177.978 176.117 0.008 0.000 1.282 438 I CA -0.154 61.180 61.300 0.056 0.000 1.276 438 I CB -0.156 37.901 38.000 0.096 0.000 1.183 438 I HN -0.050 nan 8.210 nan 0.000 0.431 439 Q N 2.276 122.069 119.800 -0.012 0.000 1.968 439 Q HA -0.250 4.076 4.340 -0.022 0.000 0.216 439 Q C 2.269 178.246 176.000 -0.038 0.000 1.037 439 Q CA 2.933 58.722 55.803 -0.023 0.000 0.889 439 Q CB -0.747 27.976 28.738 -0.026 0.000 0.998 439 Q HN 0.728 nan 8.270 nan 0.000 0.417 440 G N -0.019 108.749 108.800 -0.053 0.000 2.513 440 G HA2 -0.306 3.641 3.960 -0.022 0.000 0.219 440 G HA3 -0.306 3.641 3.960 -0.022 0.000 0.219 440 G C 1.438 176.281 174.900 -0.095 0.000 1.160 440 G CA 1.327 46.380 45.100 -0.080 0.000 0.767 440 G HN 0.516 nan 8.290 nan 0.000 0.571 441 A N 0.361 123.137 122.820 -0.073 0.000 1.933 441 A HA 0.102 4.409 4.320 -0.022 0.000 0.218 441 A C 2.467 180.022 177.584 -0.049 0.000 1.175 441 A CA 1.415 53.412 52.037 -0.067 0.000 0.628 441 A CB -0.353 18.650 19.000 0.006 0.000 0.814 441 A HN 0.379 nan 8.150 nan 0.000 0.444 442 L N -0.557 120.647 121.223 -0.032 0.000 2.056 442 L HA -0.128 4.199 4.340 -0.022 0.000 0.207 442 L C 2.429 179.277 176.870 -0.037 0.000 1.078 442 L CA 0.972 55.795 54.840 -0.028 0.000 0.749 442 L CB -0.518 41.527 42.059 -0.023 0.000 0.901 442 L HN 0.237 nan 8.230 nan 0.000 0.433 443 V N 0.030 119.915 119.914 -0.047 0.000 2.515 443 V HA -0.136 3.971 4.120 -0.022 0.000 0.250 443 V C 2.559 178.617 176.094 -0.060 0.000 1.058 443 V CA 1.753 64.024 62.300 -0.049 0.000 1.064 443 V CB -1.285 30.506 31.823 -0.053 0.000 0.675 443 V HN 0.546 nan 8.190 nan 0.000 0.461 444 G N 1.491 110.241 108.800 -0.084 0.000 2.414 444 G HA2 -0.229 3.718 3.960 -0.022 0.000 0.215 444 G HA3 -0.229 3.718 3.960 -0.022 0.000 0.215 444 G C 1.556 176.415 174.900 -0.069 0.000 1.188 444 G CA 1.186 46.223 45.100 -0.106 0.000 0.783 444 G HN 0.655 nan 8.290 nan 0.000 0.537 445 I N 0.281 120.821 120.570 -0.050 0.000 2.208 445 I HA 0.021 4.178 4.170 -0.022 0.000 0.245 445 I C 2.777 178.896 176.117 0.004 0.000 1.097 445 I CA 1.716 63.005 61.300 -0.017 0.000 1.363 445 I CB -0.734 37.263 38.000 -0.005 0.000 1.051 445 I HN 0.136 nan 8.210 nan 0.000 0.413 446 A N 1.247 124.067 122.820 0.000 0.000 1.908 446 A HA -0.147 4.160 4.320 -0.022 0.000 0.218 446 A C 2.321 179.921 177.584 0.027 0.000 1.181 446 A CA 2.367 54.416 52.037 0.019 0.000 0.627 446 A CB -0.678 18.323 19.000 0.002 0.000 0.818 446 A HN 0.527 nan 8.150 nan 0.000 0.445 447 M N -0.537 119.063 119.600 0.001 0.000 2.175 447 M HA -0.078 4.389 4.480 -0.022 0.000 0.264 447 M C 2.190 178.493 176.300 0.004 0.000 1.063 447 M CA 1.184 56.484 55.300 -0.001 0.000 1.119 447 M CB -1.309 31.274 32.600 -0.027 0.000 1.377 447 M HN 0.252 nan 8.290 nan 0.000 0.415 448 V N 0.612 120.523 119.914 -0.004 0.000 2.283 448 V HA -0.218 3.888 4.120 -0.022 0.000 0.243 448 V C 2.577 178.666 176.094 -0.009 0.000 1.039 448 V CA 1.278 63.574 62.300 -0.007 0.000 1.016 448 V CB -0.696 31.121 31.823 -0.010 0.000 0.650 448 V HN 0.375 nan 8.190 nan 0.000 0.449 449 L N 0.997 122.234 121.223 0.023 0.000 2.012 449 L HA -0.196 4.130 4.340 -0.022 0.000 0.210 449 L C 2.765 179.707 176.870 0.121 0.000 1.073 449 L CA 2.066 56.936 54.840 0.049 0.000 0.748 449 L CB -0.942 41.250 42.059 0.221 0.000 0.891 449 L HN 0.568 nan 8.230 nan 0.000 0.431 450 S N 0.166 115.969 115.700 0.171 0.000 2.400 450 S HA -0.157 4.300 4.470 -0.022 0.000 0.232 450 S C 1.997 176.663 174.600 0.110 0.000 1.025 450 S CA 0.902 59.217 58.200 0.191 0.000 0.993 450 S CB -0.468 62.809 63.200 0.127 0.000 0.808 450 S HN 0.385 nan 8.310 nan 0.000 0.478 451 A N 1.087 123.929 122.820 0.036 0.000 2.206 451 A HA 0.327 4.633 4.320 -0.022 0.000 0.211 451 A C 2.174 179.745 177.584 -0.023 0.000 1.158 451 A CA 0.873 52.910 52.037 0.001 0.000 0.761 451 A CB -0.574 18.423 19.000 -0.005 0.000 0.801 451 A HN 1.019 nan 8.150 nan 0.000 0.473 452 V N -5.423 114.435 119.914 -0.094 0.000 3.523 452 V HA 0.264 4.371 4.120 -0.022 0.000 0.255 452 V C 1.796 177.814 176.094 -0.127 0.000 1.226 452 V CA 0.680 62.886 62.300 -0.156 0.000 1.092 452 V CB -0.739 30.879 31.823 -0.341 0.000 0.817 452 V HN 0.337 nan 8.190 nan 0.000 0.458 453 F N 0.261 120.301 119.950 0.150 0.000 2.315 453 F HA 0.211 4.725 4.527 -0.022 0.000 0.284 453 F C 2.441 178.340 175.800 0.165 0.000 1.049 453 F CA 1.375 59.481 58.000 0.177 0.000 1.323 453 F CB -0.206 38.886 39.000 0.153 0.000 1.113 453 F HN -0.079 nan 8.300 nan 0.000 0.544 454 V N 1.283 121.385 119.914 0.313 0.000 2.317 454 V HA -0.260 3.846 4.120 -0.022 0.000 0.251 454 V C -0.634 175.589 176.094 0.214 0.000 1.065 454 V CA 2.194 64.646 62.300 0.254 0.000 1.049 454 V CB -1.749 30.190 31.823 0.192 0.000 0.651 454 V HN 0.165 nan 8.190 nan 0.000 0.450 455 P HA -0.207 nan 4.420 nan 0.000 0.217 455 P C 1.907 179.062 177.300 -0.242 0.000 1.148 455 P CA 1.877 64.850 63.100 -0.212 0.000 0.828 455 P CB -0.222 31.225 31.700 -0.421 0.000 0.783 456 M N -2.448 117.109 119.600 -0.071 0.000 2.476 456 M HA 0.128 4.595 4.480 -0.022 0.000 0.262 456 M C 1.802 178.281 176.300 0.298 0.000 1.079 456 M CA 1.691 57.029 55.300 0.064 0.000 1.104 456 M CB -0.636 32.245 32.600 0.468 0.000 1.409 456 M HN -0.216 nan 8.290 nan 0.000 0.467 457 A N 0.225 123.223 122.820 0.297 0.000 2.121 457 A HA 0.009 4.315 4.320 -0.022 0.000 0.218 457 A C 1.268 178.895 177.584 0.072 0.000 1.154 457 A CA 0.923 53.100 52.037 0.234 0.000 0.679 457 A CB -0.936 18.170 19.000 0.176 0.000 0.795 457 A HN 0.633 nan 8.150 nan 0.000 0.458 458 F N -1.701 118.223 119.950 -0.043 0.000 2.693 458 F HA 0.336 4.851 4.527 -0.019 0.000 0.303 458 F C 0.267 176.010 175.800 -0.094 0.000 1.097 458 F CA -0.773 57.176 58.000 -0.086 0.000 1.330 458 F CB -0.211 38.691 39.000 -0.163 0.000 1.067 458 F HN 0.053 nan 8.300 nan 0.000 0.565 459 F N 0.343 120.378 119.950 0.142 0.000 2.518 459 F HA 0.343 4.856 4.527 -0.023 0.000 0.359 459 F C 1.413 177.278 175.800 0.109 0.000 1.118 459 F CA -0.255 57.801 58.000 0.094 0.000 1.287 459 F CB 0.321 39.355 39.000 0.056 0.000 1.132 459 F HN -0.035 nan 8.300 nan 0.000 0.587 460 G N 1.371 110.370 108.800 0.332 0.000 2.557 460 G HA2 0.492 4.439 3.960 -0.022 0.000 0.292 460 G HA3 0.492 4.439 3.960 -0.022 0.000 0.292 460 G C 0.237 175.253 174.900 0.194 0.000 1.237 460 G CA -0.077 45.148 45.100 0.209 0.000 0.978 460 G HN 1.127 nan 8.290 nan 0.000 0.498 461 G N -0.507 108.380 108.800 0.145 0.000 2.575 461 G HA2 -0.206 3.740 3.960 -0.022 0.000 0.267 461 G HA3 -0.206 3.740 3.960 -0.022 0.000 0.267 461 G C 1.406 176.369 174.900 0.106 0.000 1.264 461 G CA 0.637 45.814 45.100 0.127 0.000 0.935 461 G HN 1.255 nan 8.290 nan 0.000 0.568 462 S N -0.010 115.734 115.700 0.074 0.000 2.368 462 S HA -0.110 4.347 4.470 -0.022 0.000 0.224 462 S C 2.788 177.405 174.600 0.028 0.000 1.029 462 S CA 3.046 61.258 58.200 0.019 0.000 0.988 462 S CB -0.690 62.482 63.200 -0.047 0.000 0.838 462 S HN 1.645 nan 8.310 nan 0.000 0.462 463 T N 0.544 115.142 114.554 0.072 0.000 2.746 463 T HA -0.043 4.294 4.350 -0.022 0.000 0.267 463 T C 2.046 176.955 174.700 0.348 0.000 1.039 463 T CA 1.498 63.698 62.100 0.167 0.000 1.142 463 T CB -1.129 67.918 68.868 0.297 0.000 0.866 463 T HN 0.351 nan 8.240 nan 0.000 0.444 464 G N 1.427 110.440 108.800 0.354 0.000 2.469 464 G HA2 -0.035 3.912 3.960 -0.022 0.000 0.219 464 G HA3 -0.035 3.912 3.960 -0.022 0.000 0.219 464 G C 1.958 177.034 174.900 0.294 0.000 1.150 464 G CA 1.055 46.405 45.100 0.416 0.000 0.763 464 G HN 0.810 nan 8.290 nan 0.000 0.561 465 A N 0.504 123.423 122.820 0.164 0.000 1.933 465 A HA 0.049 4.356 4.320 -0.022 0.000 0.218 465 A C 2.402 180.027 177.584 0.069 0.000 1.175 465 A CA 1.285 53.370 52.037 0.079 0.000 0.628 465 A CB -0.294 18.720 19.000 0.024 0.000 0.814 465 A HN 0.408 nan 8.150 nan 0.000 0.444 466 I N -2.282 118.330 120.570 0.070 0.000 2.233 466 I HA -0.234 3.923 4.170 -0.022 0.000 0.243 466 I C 2.302 178.499 176.117 0.134 0.000 1.093 466 I CA 1.301 62.612 61.300 0.019 0.000 1.380 466 I CB -0.363 37.584 38.000 -0.088 0.000 1.067 466 I HN 0.404 nan 8.210 nan 0.000 0.413 467 Y N 0.399 120.878 120.300 0.298 0.000 2.293 467 Y HA -0.202 4.334 4.550 -0.023 0.000 0.291 467 Y C 2.734 178.872 175.900 0.396 0.000 1.137 467 Y CA 1.107 59.458 58.100 0.418 0.000 1.202 467 Y CB -0.277 38.438 38.460 0.425 0.000 0.990 467 Y HN 0.032 nan 8.280 nan 0.000 0.537 468 R N 0.220 120.974 120.500 0.423 0.000 2.091 468 R HA -0.201 4.126 4.340 -0.022 0.000 0.238 468 R C 2.178 178.701 176.300 0.370 0.000 1.136 468 R CA 1.511 57.813 56.100 0.336 0.000 0.959 468 R CB -0.021 30.414 30.300 0.225 0.000 0.856 468 R HN 0.311 nan 8.270 nan 0.000 0.437 469 Q N -0.283 119.668 119.800 0.252 0.000 2.030 469 Q HA -0.198 4.129 4.340 -0.022 0.000 0.204 469 Q C 2.086 178.156 176.000 0.116 0.000 0.986 469 Q CA 1.800 57.717 55.803 0.189 0.000 0.843 469 Q CB -0.451 28.201 28.738 -0.144 0.000 0.904 469 Q HN 0.377 nan 8.270 nan 0.000 0.420 470 F N 0.790 120.869 119.950 0.215 0.000 2.102 470 F HA -0.193 4.321 4.527 -0.021 0.000 0.298 470 F C 2.899 178.786 175.800 0.146 0.000 1.105 470 F CA 1.192 59.295 58.000 0.170 0.000 1.239 470 F CB -0.744 38.362 39.000 0.177 0.000 0.991 470 F HN 0.034 nan 8.300 nan 0.000 0.474 471 S N 0.745 116.694 115.700 0.415 0.000 2.378 471 S HA -0.243 4.214 4.470 -0.022 0.000 0.221 471 S C 2.056 176.755 174.600 0.165 0.000 1.037 471 S CA 1.907 60.295 58.200 0.314 0.000 1.069 471 S CB -0.626 62.792 63.200 0.364 0.000 1.006 471 S HN 0.172 nan 8.310 nan 0.000 0.423 472 I N 1.540 122.198 120.570 0.146 0.000 2.208 472 I HA -0.164 3.993 4.170 -0.022 0.000 0.245 472 I C 2.616 178.681 176.117 -0.086 0.000 1.097 472 I CA 1.764 63.063 61.300 -0.002 0.000 1.363 472 I CB -0.979 36.907 38.000 -0.190 0.000 1.051 472 I HN 0.364 nan 8.210 nan 0.000 0.413 473 T N 0.435 114.955 114.554 -0.056 0.000 2.684 473 T HA -0.144 4.193 4.350 -0.022 0.000 0.267 473 T C 1.983 176.609 174.700 -0.125 0.000 1.036 473 T CA 1.721 63.762 62.100 -0.098 0.000 1.148 473 T CB -0.342 68.505 68.868 -0.036 0.000 0.863 473 T HN 0.250 nan 8.240 nan 0.000 0.436 474 I N 0.545 121.039 120.570 -0.127 0.000 2.233 474 I HA -0.122 4.035 4.170 -0.022 0.000 0.243 474 I C 2.522 178.465 176.117 -0.290 0.000 1.093 474 I CA 0.697 61.819 61.300 -0.296 0.000 1.380 474 I CB -0.517 37.127 38.000 -0.592 0.000 1.067 474 I HN 0.058 nan 8.210 nan 0.000 0.413 475 V N 0.637 120.444 119.914 -0.178 0.000 2.231 475 V HA -0.348 3.759 4.120 -0.022 0.000 0.250 475 V C 2.572 178.639 176.094 -0.046 0.000 1.058 475 V CA 2.517 64.798 62.300 -0.032 0.000 1.022 475 V CB -0.770 31.101 31.823 0.080 0.000 0.640 475 V HN 0.409 nan 8.190 nan 0.000 0.445 476 S N -0.020 115.638 115.700 -0.071 0.000 2.383 476 S HA -0.183 4.274 4.470 -0.022 0.000 0.229 476 S C 2.151 176.679 174.600 -0.120 0.000 1.030 476 S CA 1.416 59.556 58.200 -0.099 0.000 1.002 476 S CB -0.533 62.575 63.200 -0.154 0.000 0.829 476 S HN 0.678 nan 8.310 nan 0.000 0.467 477 A N 2.072 124.807 122.820 -0.141 0.000 1.873 477 A HA -0.029 4.277 4.320 -0.022 0.000 0.215 477 A C 2.111 179.631 177.584 -0.107 0.000 1.186 477 A CA 1.592 53.544 52.037 -0.141 0.000 0.616 477 A CB -0.624 18.280 19.000 -0.159 0.000 0.823 477 A HN 0.453 nan 8.150 nan 0.000 0.442 478 M N 0.325 119.867 119.600 -0.097 0.000 2.117 478 M HA -0.114 4.353 4.480 -0.022 0.000 0.262 478 M C 2.209 178.489 176.300 -0.033 0.000 1.065 478 M CA 2.160 57.430 55.300 -0.050 0.000 1.114 478 M CB -1.087 31.510 32.600 -0.005 0.000 1.361 478 M HN 0.389 nan 8.290 nan 0.000 0.408 479 A N 0.896 123.698 122.820 -0.031 0.000 1.865 479 A HA -0.169 4.138 4.320 -0.022 0.000 0.217 479 A C 2.238 179.789 177.584 -0.054 0.000 1.191 479 A CA 1.686 53.706 52.037 -0.028 0.000 0.623 479 A CB -1.116 17.873 19.000 -0.019 0.000 0.826 479 A HN 0.591 nan 8.150 nan 0.000 0.444 480 L N 0.376 121.555 121.223 -0.073 0.000 2.131 480 L HA -0.191 4.136 4.340 -0.022 0.000 0.210 480 L C 3.036 179.852 176.870 -0.089 0.000 1.092 480 L CA 1.609 56.397 54.840 -0.087 0.000 0.759 480 L CB -0.323 41.677 42.059 -0.099 0.000 0.903 480 L HN 0.665 nan 8.230 nan 0.000 0.435 481 S N -1.452 114.199 115.700 -0.081 0.000 2.406 481 S HA -0.135 4.322 4.470 -0.022 0.000 0.228 481 S C 1.915 176.470 174.600 -0.075 0.000 1.020 481 S CA 1.042 59.194 58.200 -0.080 0.000 0.965 481 S CB -0.395 62.761 63.200 -0.074 0.000 0.798 481 S HN 0.207 nan 8.310 nan 0.000 0.488 482 V N 1.177 121.054 119.914 -0.062 0.000 2.548 482 V HA 0.082 4.189 4.120 -0.022 0.000 0.249 482 V C 2.321 178.374 176.094 -0.069 0.000 1.055 482 V CA 1.395 63.662 62.300 -0.055 0.000 1.065 482 V CB -0.497 31.304 31.823 -0.036 0.000 0.681 482 V HN 0.567 nan 8.190 nan 0.000 0.462 483 L N -0.879 120.296 121.223 -0.080 0.000 2.056 483 L HA -0.120 4.207 4.340 -0.022 0.000 0.207 483 L C 2.423 179.207 176.870 -0.144 0.000 1.078 483 L CA 1.377 56.155 54.840 -0.103 0.000 0.749 483 L CB -0.395 41.603 42.059 -0.102 0.000 0.901 483 L HN 0.206 nan 8.230 nan 0.000 0.433 484 V N -0.297 119.532 119.914 -0.141 0.000 2.427 484 V HA -0.248 3.859 4.120 -0.022 0.000 0.248 484 V C 2.652 178.653 176.094 -0.155 0.000 1.051 484 V CA 1.608 63.807 62.300 -0.170 0.000 1.048 484 V CB -0.748 30.986 31.823 -0.149 0.000 0.666 484 V HN 0.479 nan 8.190 nan 0.000 0.456 485 A N -0.391 122.361 122.820 -0.114 0.000 1.972 485 A HA -0.105 4.201 4.320 -0.022 0.000 0.219 485 A C 2.161 179.698 177.584 -0.079 0.000 1.169 485 A CA 1.560 53.543 52.037 -0.090 0.000 0.635 485 A CB -0.382 18.577 19.000 -0.067 0.000 0.810 485 A HN 0.517 nan 8.150 nan 0.000 0.446 486 L N -1.334 119.840 121.223 -0.081 0.000 2.307 486 L HA 0.066 4.393 4.340 -0.022 0.000 0.211 486 L C 2.070 178.905 176.870 -0.058 0.000 1.099 486 L CA 0.522 55.334 54.840 -0.048 0.000 0.816 486 L CB -0.184 41.855 42.059 -0.033 0.000 0.952 486 L HN 0.383 nan 8.230 nan 0.000 0.455 487 I N -1.549 118.907 120.570 -0.191 0.000 3.341 487 I HA -0.108 4.049 4.170 -0.022 0.000 0.243 487 I C 1.984 177.876 176.117 -0.374 0.000 1.094 487 I CA 0.221 61.266 61.300 -0.425 0.000 1.507 487 I CB -0.048 37.495 38.000 -0.761 0.000 1.441 487 I HN 0.019 nan 8.210 nan 0.000 0.465 488 L N 0.755 121.767 121.223 -0.353 0.000 2.007 488 L HA -0.110 4.217 4.340 -0.022 0.000 0.205 488 L C 2.611 179.321 176.870 -0.267 0.000 1.073 488 L CA 2.472 57.100 54.840 -0.353 0.000 0.744 488 L CB -0.920 40.912 42.059 -0.377 0.000 0.898 488 L HN 0.397 nan 8.230 nan 0.000 0.435 489 T N -1.324 113.109 114.554 -0.202 0.000 2.699 489 T HA -0.111 4.226 4.350 -0.022 0.000 0.268 489 T C -0.592 174.045 174.700 -0.105 0.000 1.036 489 T CA 1.369 63.380 62.100 -0.148 0.000 1.147 489 T CB -2.195 66.606 68.868 -0.112 0.000 0.862 489 T HN 0.393 nan 8.240 nan 0.000 0.446 490 P HA 0.115 nan 4.420 nan 0.000 0.217 490 P C 1.752 179.036 177.300 -0.027 0.000 1.151 490 P CA 1.386 64.465 63.100 -0.036 0.000 0.828 490 P CB -0.282 31.414 31.700 -0.006 0.000 0.788 491 A N 0.675 123.472 122.820 -0.039 0.000 1.883 491 A HA -0.168 4.139 4.320 -0.022 0.000 0.217 491 A C 2.435 179.997 177.584 -0.037 0.000 1.186 491 A CA 1.717 53.741 52.037 -0.021 0.000 0.624 491 A CB -1.685 17.289 19.000 -0.042 0.000 0.822 491 A HN 0.131 nan 8.150 nan 0.000 0.444 492 L N -1.090 120.073 121.223 -0.101 0.000 2.056 492 L HA -0.220 4.107 4.340 -0.022 0.000 0.207 492 L C 2.665 179.520 176.870 -0.025 0.000 1.078 492 L CA 1.157 55.958 54.840 -0.066 0.000 0.749 492 L CB -0.854 41.126 42.059 -0.130 0.000 0.901 492 L HN 0.459 nan 8.230 nan 0.000 0.433 493 C N -0.037 119.241 119.300 -0.037 0.000 2.410 493 C HA -0.114 4.333 4.460 -0.022 0.000 0.281 493 C C 2.973 177.960 174.990 -0.005 0.000 1.318 493 C CA 0.921 59.926 59.018 -0.022 0.000 1.776 493 C CB -0.982 26.742 27.740 -0.026 0.000 1.942 493 C HN 0.606 nan 8.230 nan 0.000 0.508 494 A N 0.091 122.913 122.820 0.002 0.000 1.997 494 A HA -0.013 4.293 4.320 -0.022 0.000 0.212 494 A C 2.179 179.776 177.584 0.023 0.000 1.178 494 A CA 1.715 53.759 52.037 0.012 0.000 0.698 494 A CB -0.545 18.465 19.000 0.016 0.000 0.842 494 A HN 0.605 nan 8.150 nan 0.000 0.458 495 T N -2.623 111.953 114.554 0.036 0.000 3.034 495 T HA 0.133 4.470 4.350 -0.022 0.000 0.248 495 T C 1.616 176.349 174.700 0.055 0.000 1.040 495 T CA 0.911 63.044 62.100 0.055 0.000 1.107 495 T CB -0.170 68.753 68.868 0.091 0.000 0.932 495 T HN 0.498 nan 8.240 nan 0.000 0.474 496 M N -0.346 119.284 119.600 0.051 0.000 2.313 496 M HA 0.518 4.984 4.480 -0.022 0.000 0.273 496 M C -0.349 175.966 176.300 0.025 0.000 1.049 496 M CA -0.392 54.936 55.300 0.047 0.000 1.004 496 M CB 0.174 32.814 32.600 0.067 0.000 1.461 496 M HN 0.012 nan 8.290 nan 0.000 0.514 497 L N 2.582 123.815 121.223 0.017 0.000 2.292 497 L HA 0.439 4.766 4.340 -0.022 0.000 0.284 497 L C -0.211 176.666 176.870 0.012 0.000 1.065 497 L CA 0.274 55.119 54.840 0.009 0.000 0.806 497 L CB 1.195 43.254 42.059 0.001 0.000 1.175 497 L HN 0.176 nan 8.230 nan 0.000 0.431 498 K N 5.915 126.323 120.400 0.013 0.000 2.172 498 K HA 0.434 4.741 4.320 -0.022 0.000 0.276 498 K C -2.231 174.374 176.600 0.008 0.000 1.013 498 K CA -1.666 54.630 56.287 0.015 0.000 0.913 498 K CB 0.859 33.372 32.500 0.022 0.000 1.055 498 K HN 0.414 nan 8.250 nan 0.000 0.461 499 P HA 0.069 nan 4.420 nan 0.000 0.269 499 P C -0.733 176.566 177.300 -0.001 0.000 1.215 499 P CA 0.240 63.341 63.100 0.001 0.000 0.780 499 P CB 0.614 32.315 31.700 0.002 0.000 0.898 500 I N 0.512 121.077 120.570 -0.008 0.000 2.545 500 I HA 0.450 4.607 4.170 -0.022 0.000 0.292 500 I C 0.332 176.440 176.117 -0.015 0.000 1.040 500 I CA -1.285 60.007 61.300 -0.014 0.000 1.068 500 I CB 2.092 40.075 38.000 -0.027 0.000 1.251 500 I HN 0.305 nan 8.210 nan 0.000 0.424 501 A N 5.507 128.320 122.820 -0.011 0.000 2.407 501 A HA 0.241 4.548 4.320 -0.022 0.000 0.248 501 A C 0.232 177.810 177.584 -0.010 0.000 1.082 501 A CA -0.303 51.730 52.037 -0.007 0.000 0.785 501 A CB 0.347 19.346 19.000 -0.001 0.000 1.020 501 A HN 0.792 nan 8.150 nan 0.000 0.489 502 K N 1.291 121.689 120.400 -0.003 0.000 2.530 502 K HA 0.149 4.455 4.320 -0.022 0.000 0.280 502 K C 1.008 177.616 176.600 0.015 0.000 1.004 502 K CA 1.264 57.552 56.287 0.002 0.000 1.071 502 K CB -0.249 32.256 32.500 0.009 0.000 0.876 502 K HN 1.743 nan 8.250 nan 0.000 0.487 503 G N 3.953 112.766 108.800 0.021 0.000 2.371 503 G HA2 -0.259 3.688 3.960 -0.022 0.000 0.299 503 G HA3 -0.259 3.688 3.960 -0.022 0.000 0.299 503 G C 0.378 175.338 174.900 0.100 0.000 1.014 503 G CA 0.442 45.596 45.100 0.090 0.000 1.097 503 G HN 0.916 nan 8.290 nan 0.000 0.512 504 D N -0.092 120.309 120.400 0.001 0.000 2.154 504 D HA -0.045 4.582 4.640 -0.022 0.000 0.211 504 D C 1.611 177.962 176.300 0.085 0.000 0.977 504 D CA 0.964 54.971 54.000 0.012 0.000 0.869 504 D CB -0.036 40.745 40.800 -0.033 0.000 1.022 504 D HN 0.607 nan 8.370 nan 0.000 0.461 505 H N -1.178 117.898 119.070 0.011 0.000 3.329 505 H HA -0.193 4.350 4.556 -0.022 0.000 0.245 505 H C 1.158 176.490 175.328 0.007 0.000 1.099 505 H CA 1.066 57.123 56.048 0.014 0.000 1.186 505 H CB -1.617 28.155 29.762 0.017 0.000 1.243 505 H HN 0.481 nan 8.280 nan 0.000 0.319 506 G N 0.819 109.662 108.800 0.073 0.000 2.309 506 G HA2 -0.356 3.591 3.960 -0.022 0.000 0.286 506 G HA3 -0.356 3.591 3.960 -0.022 0.000 0.286 506 G C 0.114 175.027 174.900 0.022 0.000 1.002 506 G CA 1.087 46.209 45.100 0.036 0.000 0.786 506 G HN 0.665 nan 8.290 nan 0.000 0.511 507 E N -0.310 119.908 120.200 0.030 0.000 2.344 507 E HA 0.442 4.779 4.350 -0.022 0.000 0.270 507 E C 1.381 177.944 176.600 -0.061 0.000 1.021 507 E CA 0.676 57.065 56.400 -0.019 0.000 0.887 507 E CB 0.647 30.335 29.700 -0.019 0.000 0.997 507 E HN 1.070 nan 8.360 nan 0.000 0.429 508 G N 3.349 112.076 108.800 -0.122 0.000 2.779 508 G HA2 -0.431 3.515 3.960 -0.022 0.000 0.284 508 G HA3 -0.431 3.515 3.960 -0.022 0.000 0.284 508 G C 0.553 175.384 174.900 -0.114 0.000 1.326 508 G CA 0.243 45.248 45.100 -0.158 0.000 0.983 508 G HN 0.652 nan 8.290 nan 0.000 0.555 509 K N -1.025 119.341 120.400 -0.057 0.000 1.721 509 K HA -0.253 4.054 4.320 -0.022 0.000 0.121 509 K C 0.784 177.395 176.600 0.017 0.000 1.152 509 K CA 2.097 58.376 56.287 -0.014 0.000 0.360 509 K CB -0.936 31.562 32.500 -0.003 0.000 0.626 509 K HN 0.614 nan 8.250 nan 0.000 0.878 510 K N 0.974 121.404 120.400 0.050 0.000 2.380 510 K HA 0.031 4.338 4.320 -0.022 0.000 0.267 510 K C 1.062 177.780 176.600 0.196 0.000 0.990 510 K CA 0.900 57.258 56.287 0.118 0.000 0.946 510 K CB 0.946 33.525 32.500 0.132 0.000 0.937 510 K HN 0.690 nan 8.250 nan 0.000 0.491 511 G N 1.285 110.217 108.800 0.220 0.000 2.728 511 G HA2 -0.052 3.894 3.960 -0.022 0.000 0.223 511 G HA3 -0.052 3.894 3.960 -0.022 0.000 0.223 511 G C 0.861 175.714 174.900 -0.078 0.000 1.379 511 G CA -0.141 45.079 45.100 0.199 0.000 0.870 511 G HN 0.476 nan 8.290 nan 0.000 0.591 512 F N -0.156 119.828 119.950 0.057 0.000 2.664 512 F HA 0.272 4.786 4.527 -0.022 0.000 0.297 512 F C 1.514 177.225 175.800 -0.148 0.000 1.164 512 F CA 0.567 58.526 58.000 -0.069 0.000 1.472 512 F CB -0.000 39.012 39.000 0.021 0.000 1.108 512 F HN 0.077 nan 8.300 nan 0.000 0.596 513 F N -1.633 118.334 119.950 0.027 0.000 2.570 513 F HA 0.361 4.875 4.527 -0.022 0.000 0.290 513 F C 1.544 177.196 175.800 -0.248 0.000 0.910 513 F CA -0.026 57.958 58.000 -0.027 0.000 1.119 513 F CB 0.310 39.342 39.000 0.053 0.000 0.922 513 F HN -0.308 nan 8.300 nan 0.000 0.703 514 G N -1.279 107.487 108.800 -0.057 0.000 4.138 514 G HA2 0.246 4.192 3.960 -0.022 0.000 0.335 514 G HA3 0.246 4.192 3.960 -0.022 0.000 0.335 514 G C -0.799 173.992 174.900 -0.181 0.000 1.517 514 G CA -0.208 44.731 45.100 -0.267 0.000 0.960 514 G HN 0.180 nan 8.290 nan 0.000 0.493 515 W N 1.219 122.019 121.300 -0.832 0.000 3.177 515 W HA 0.327 4.974 4.660 -0.022 0.000 0.309 515 W C 1.311 177.721 176.519 -0.181 0.000 1.224 515 W CA -0.501 56.599 57.345 -0.408 0.000 1.718 515 W CB -0.123 29.184 29.460 -0.255 0.000 1.078 515 W HN 0.587 nan 8.180 nan 0.000 0.618 516 F N -0.486 119.577 119.950 0.188 0.000 2.789 516 F HA 0.036 4.550 4.527 -0.022 0.000 0.300 516 F C 1.474 177.383 175.800 0.182 0.000 1.132 516 F CA 0.089 58.166 58.000 0.128 0.000 1.404 516 F CB -0.609 38.470 39.000 0.132 0.000 1.114 516 F HN -0.217 nan 8.300 nan 0.000 0.584 517 N N 1.048 119.878 118.700 0.217 0.000 2.216 517 N HA -0.079 4.648 4.740 -0.022 0.000 0.183 517 N C 1.656 177.248 175.510 0.136 0.000 1.017 517 N CA 0.857 54.015 53.050 0.180 0.000 0.861 517 N CB -0.224 38.313 38.487 0.083 0.000 0.986 517 N HN 0.203 nan 8.380 nan 0.000 0.428 518 R N 0.359 120.890 120.500 0.052 0.000 2.073 518 R HA 0.021 4.347 4.340 -0.022 0.000 0.234 518 R C 2.073 178.386 176.300 0.022 0.000 1.134 518 R CA 1.394 57.493 56.100 -0.003 0.000 0.952 518 R CB -0.322 29.930 30.300 -0.080 0.000 0.850 518 R HN 0.308 nan 8.270 nan 0.000 0.433 519 M N -0.481 119.138 119.600 0.032 0.000 2.117 519 M HA -0.129 4.338 4.480 -0.022 0.000 0.262 519 M C 1.903 178.156 176.300 -0.079 0.000 1.065 519 M CA 1.751 57.026 55.300 -0.041 0.000 1.114 519 M CB -0.418 32.129 32.600 -0.089 0.000 1.361 519 M HN 0.067 nan 8.290 nan 0.000 0.408 520 F N 0.776 120.721 119.950 -0.009 0.000 2.186 520 F HA -0.175 4.338 4.527 -0.022 0.000 0.299 520 F C 2.607 178.404 175.800 -0.004 0.000 1.090 520 F CA 1.224 59.204 58.000 -0.034 0.000 1.307 520 F CB -0.116 38.843 39.000 -0.069 0.000 1.019 520 F HN 0.127 nan 8.300 nan 0.000 0.489 521 E N 0.657 120.969 120.200 0.186 0.000 2.152 521 E HA -0.133 4.204 4.350 -0.022 0.000 0.192 521 E C 1.923 178.572 176.600 0.081 0.000 0.983 521 E CA 1.169 57.632 56.400 0.104 0.000 0.818 521 E CB -0.100 29.605 29.700 0.008 0.000 0.758 521 E HN 0.187 nan 8.360 nan 0.000 0.467 522 K N -0.190 120.253 120.400 0.072 0.000 2.025 522 K HA -0.093 4.214 4.320 -0.022 0.000 0.207 522 K C 2.234 179.012 176.600 0.297 0.000 1.049 522 K CA 1.462 57.832 56.287 0.138 0.000 0.933 522 K CB -0.126 32.448 32.500 0.124 0.000 0.714 522 K HN 0.215 nan 8.250 nan 0.000 0.438 523 S N 0.051 115.847 115.700 0.160 0.000 2.368 523 S HA -0.150 4.307 4.470 -0.022 0.000 0.224 523 S C 2.135 176.752 174.600 0.029 0.000 1.029 523 S CA 1.807 60.060 58.200 0.090 0.000 0.988 523 S CB -0.645 62.489 63.200 -0.110 0.000 0.838 523 S HN 0.243 nan 8.310 nan 0.000 0.462 524 T N 0.416 114.987 114.554 0.029 0.000 2.915 524 T HA -0.083 4.254 4.350 -0.022 0.000 0.269 524 T C 1.659 176.437 174.700 0.129 0.000 1.071 524 T CA 1.396 63.514 62.100 0.029 0.000 1.132 524 T CB -0.463 68.448 68.868 0.072 0.000 0.878 524 T HN 0.613 nan 8.240 nan 0.000 0.479 525 H N -0.448 118.656 119.070 0.056 0.000 2.363 525 H HA 0.108 4.651 4.556 -0.022 0.000 0.301 525 H C 2.136 177.490 175.328 0.043 0.000 1.074 525 H CA 1.819 57.877 56.048 0.016 0.000 1.354 525 H CB -0.214 29.517 29.762 -0.051 0.000 1.397 525 H HN 0.521 nan 8.280 nan 0.000 0.516 526 H N -1.397 117.810 119.070 0.229 0.000 2.352 526 H HA -0.168 4.375 4.556 -0.022 0.000 0.299 526 H C 1.533 177.037 175.328 0.293 0.000 1.097 526 H CA 1.838 58.025 56.048 0.232 0.000 1.311 526 H CB -0.051 29.858 29.762 0.245 0.000 1.377 526 H HN 0.332 nan 8.280 nan 0.000 0.504 527 Y N -0.452 119.958 120.300 0.183 0.000 2.145 527 Y HA -0.222 4.315 4.550 -0.022 0.000 0.286 527 Y C 2.942 178.847 175.900 0.009 0.000 1.145 527 Y CA 1.633 59.790 58.100 0.095 0.000 1.148 527 Y CB -0.925 37.545 38.460 0.017 0.000 0.981 527 Y HN 0.179 nan 8.280 nan 0.000 0.507 528 T N -0.877 113.752 114.554 0.126 0.000 2.995 528 T HA -0.117 4.220 4.350 -0.022 0.000 0.269 528 T C 1.322 176.011 174.700 -0.019 0.000 1.091 528 T CA 1.532 63.628 62.100 -0.006 0.000 1.128 528 T CB -0.298 68.516 68.868 -0.091 0.000 0.891 528 T HN 0.265 nan 8.240 nan 0.000 0.492 529 D N 0.694 121.102 120.400 0.012 0.000 2.103 529 D HA -0.050 4.577 4.640 -0.022 0.000 0.199 529 D C 2.370 178.695 176.300 0.041 0.000 0.978 529 D CA 1.534 55.541 54.000 0.011 0.000 0.829 529 D CB -0.134 40.672 40.800 0.009 0.000 0.981 529 D HN 0.512 nan 8.370 nan 0.000 0.464 530 S N -0.559 115.199 115.700 0.096 0.000 2.515 530 S HA -0.033 4.423 4.470 -0.022 0.000 0.231 530 S C 1.863 176.515 174.600 0.087 0.000 0.987 530 S CA 0.278 58.541 58.200 0.106 0.000 0.936 530 S CB -0.089 63.209 63.200 0.164 0.000 0.766 530 S HN 0.053 nan 8.310 nan 0.000 0.528 531 V N 1.828 121.768 119.914 0.044 0.000 2.426 531 V HA 0.140 4.247 4.120 -0.022 0.000 0.242 531 V C 2.884 178.938 176.094 -0.066 0.000 1.036 531 V CA 1.495 63.783 62.300 -0.021 0.000 1.044 531 V CB -1.434 30.342 31.823 -0.079 0.000 0.688 531 V HN 0.588 nan 8.190 nan 0.000 0.462 532 G N 0.343 109.115 108.800 -0.047 0.000 2.442 532 G HA2 -0.187 3.760 3.960 -0.022 0.000 0.219 532 G HA3 -0.187 3.760 3.960 -0.022 0.000 0.219 532 G C 1.586 176.456 174.900 -0.049 0.000 1.141 532 G CA 1.075 46.146 45.100 -0.049 0.000 0.763 532 G HN 0.586 nan 8.290 nan 0.000 0.554 533 G N 1.185 109.963 108.800 -0.036 0.000 2.421 533 G HA2 -0.009 3.938 3.960 -0.022 0.000 0.217 533 G HA3 -0.009 3.938 3.960 -0.022 0.000 0.217 533 G C 1.619 176.487 174.900 -0.052 0.000 1.143 533 G CA 0.979 46.062 45.100 -0.028 0.000 0.784 533 G HN 0.743 nan 8.290 nan 0.000 0.541 534 I N -1.868 118.637 120.570 -0.108 0.000 3.810 534 I HA 0.379 4.536 4.170 -0.022 0.000 0.322 534 I C 1.438 177.360 176.117 -0.324 0.000 1.288 534 I CA 0.327 61.487 61.300 -0.233 0.000 1.143 534 I CB 0.178 37.942 38.000 -0.393 0.000 1.012 534 I HN -0.040 nan 8.210 nan 0.000 0.423 535 L N -0.179 120.933 121.223 -0.186 0.000 2.592 535 L HA 0.292 4.619 4.340 -0.022 0.000 0.227 535 L C 2.265 179.085 176.870 -0.083 0.000 1.127 535 L CA 0.123 54.875 54.840 -0.146 0.000 0.884 535 L CB -0.330 41.668 42.059 -0.102 0.000 1.065 535 L HN 0.243 nan 8.230 nan 0.000 0.457 536 R N 0.493 120.956 120.500 -0.061 0.000 2.094 536 R HA -0.021 4.306 4.340 -0.022 0.000 0.214 536 R C 1.140 177.434 176.300 -0.010 0.000 1.174 536 R CA 1.281 57.366 56.100 -0.025 0.000 0.919 536 R CB -0.671 29.622 30.300 -0.011 0.000 0.795 536 R HN 0.250 nan 8.270 nan 0.000 0.465 537 S N 1.307 117.015 115.700 0.013 0.000 2.701 537 S HA 0.089 4.545 4.470 -0.022 0.000 0.317 537 S C 0.513 175.154 174.600 0.068 0.000 1.149 537 S CA -0.580 57.645 58.200 0.042 0.000 1.052 537 S CB 0.938 64.172 63.200 0.057 0.000 1.257 537 S HN 0.249 nan 8.310 nan 0.000 0.532 538 T N 2.188 116.763 114.554 0.035 0.000 3.035 538 T HA 0.116 4.453 4.350 -0.022 0.000 0.259 538 T C 1.942 176.705 174.700 0.104 0.000 1.078 538 T CA 0.666 62.784 62.100 0.030 0.000 1.132 538 T CB -0.427 68.433 68.868 -0.014 0.000 0.900 538 T HN 0.706 nan 8.240 nan 0.000 0.480 539 G N 1.324 110.176 108.800 0.087 0.000 2.708 539 G HA2 -0.107 3.840 3.960 -0.022 0.000 0.210 539 G HA3 -0.107 3.840 3.960 -0.022 0.000 0.210 539 G C 1.593 176.556 174.900 0.106 0.000 1.141 539 G CA -0.041 45.113 45.100 0.090 0.000 0.788 539 G HN 0.415 nan 8.290 nan 0.000 0.531 540 R N -1.611 118.967 120.500 0.129 0.000 2.254 540 R HA 0.175 4.502 4.340 -0.022 0.000 0.193 540 R C 1.577 177.923 176.300 0.076 0.000 0.929 540 R CA -0.103 56.049 56.100 0.086 0.000 1.038 540 R CB -0.006 30.322 30.300 0.046 0.000 1.009 540 R HN 0.384 nan 8.270 nan 0.000 0.512 541 Y N 1.009 121.328 120.300 0.032 0.000 2.373 541 Y HA -0.040 4.496 4.550 -0.022 0.000 0.293 541 Y C 1.950 178.010 175.900 0.266 0.000 1.129 541 Y CA 0.929 59.059 58.100 0.049 0.000 1.226 541 Y CB -0.036 38.325 38.460 -0.164 0.000 1.000 541 Y HN -0.060 nan 8.280 nan 0.000 0.549 542 L N -1.415 120.022 121.223 0.356 0.000 2.191 542 L HA -0.204 4.123 4.340 -0.022 0.000 0.212 542 L C 2.079 179.148 176.870 0.331 0.000 1.103 542 L CA 0.566 55.620 54.840 0.357 0.000 0.769 542 L CB -0.590 41.603 42.059 0.224 0.000 0.908 542 L HN 0.070 nan 8.230 nan 0.000 0.438 543 V N -0.461 119.585 119.914 0.220 0.000 2.323 543 V HA -0.248 3.859 4.120 -0.022 0.000 0.244 543 V C 2.304 178.486 176.094 0.147 0.000 1.041 543 V CA 1.462 63.849 62.300 0.145 0.000 1.025 543 V CB -0.383 31.483 31.823 0.072 0.000 0.656 543 V HN 0.329 nan 8.190 nan 0.000 0.451 544 L N -0.212 121.107 121.223 0.160 0.000 2.042 544 L HA -0.238 4.089 4.340 -0.022 0.000 0.210 544 L C 2.318 179.313 176.870 0.208 0.000 1.076 544 L CA 2.209 57.145 54.840 0.160 0.000 0.749 544 L CB -0.912 41.240 42.059 0.156 0.000 0.893 544 L HN 0.470 nan 8.230 nan 0.000 0.432 545 Y N -0.378 120.040 120.300 0.197 0.000 2.128 545 Y HA -0.282 4.255 4.550 -0.022 0.000 0.284 545 Y C 2.211 178.123 175.900 0.019 0.000 1.154 545 Y CA 2.171 60.287 58.100 0.026 0.000 1.149 545 Y CB -0.196 38.371 38.460 0.179 0.000 0.976 545 Y HN 0.219 nan 8.280 nan 0.000 0.505 546 L N -0.358 120.912 121.223 0.079 0.000 2.141 546 L HA -0.211 4.115 4.340 -0.022 0.000 0.209 546 L C 2.255 179.080 176.870 -0.075 0.000 1.094 546 L CA 1.154 55.977 54.840 -0.030 0.000 0.763 546 L CB -0.445 41.656 42.059 0.068 0.000 0.908 546 L HN 0.312 nan 8.230 nan 0.000 0.437 547 I N -0.286 120.263 120.570 -0.035 0.000 2.315 547 I HA -0.280 3.877 4.170 -0.022 0.000 0.248 547 I C 2.309 178.387 176.117 -0.065 0.000 1.117 547 I CA 1.352 62.631 61.300 -0.035 0.000 1.404 547 I CB -0.194 37.801 38.000 -0.008 0.000 1.071 547 I HN 0.146 nan 8.210 nan 0.000 0.419 548 I N -0.133 120.367 120.570 -0.116 0.000 2.286 548 I HA -0.229 3.927 4.170 -0.022 0.000 0.248 548 I C 2.442 178.442 176.117 -0.195 0.000 1.115 548 I CA 1.031 62.238 61.300 -0.154 0.000 1.392 548 I CB -0.347 37.520 38.000 -0.222 0.000 1.065 548 I HN 0.017 nan 8.210 nan 0.000 0.418 549 V N 0.140 119.874 119.914 -0.300 0.000 2.270 549 V HA -0.205 3.901 4.120 -0.022 0.000 0.245 549 V C 2.438 178.463 176.094 -0.115 0.000 1.043 549 V CA 1.458 63.601 62.300 -0.261 0.000 1.014 549 V CB -0.376 31.246 31.823 -0.335 0.000 0.645 549 V HN 0.208 nan 8.190 nan 0.000 0.447 550 V N 1.088 120.954 119.914 -0.080 0.000 2.287 550 V HA -0.221 3.886 4.120 -0.022 0.000 0.248 550 V C 2.660 178.779 176.094 0.042 0.000 1.053 550 V CA 2.315 64.602 62.300 -0.020 0.000 1.027 550 V CB -1.448 30.359 31.823 -0.027 0.000 0.646 550 V HN 0.627 nan 8.190 nan 0.000 0.447 551 G N -1.134 107.688 108.800 0.036 0.000 2.442 551 G HA2 -0.336 3.611 3.960 -0.022 0.000 0.219 551 G HA3 -0.336 3.611 3.960 -0.022 0.000 0.219 551 G C 1.634 176.611 174.900 0.127 0.000 1.141 551 G CA 1.171 46.335 45.100 0.106 0.000 0.763 551 G HN 0.443 nan 8.290 nan 0.000 0.554 552 M N 0.756 120.395 119.600 0.065 0.000 2.086 552 M HA 0.026 4.493 4.480 -0.022 0.000 0.261 552 M C 2.810 179.194 176.300 0.140 0.000 1.067 552 M CA 1.734 57.090 55.300 0.094 0.000 1.116 552 M CB -0.140 32.474 32.600 0.024 0.000 1.348 552 M HN 0.285 nan 8.290 nan 0.000 0.407 553 A N -0.640 122.226 122.820 0.076 0.000 1.933 553 A HA -0.243 4.064 4.320 -0.022 0.000 0.218 553 A C 1.924 179.616 177.584 0.180 0.000 1.175 553 A CA 1.593 53.676 52.037 0.076 0.000 0.628 553 A CB -1.199 17.814 19.000 0.023 0.000 0.814 553 A HN 0.741 nan 8.150 nan 0.000 0.444 554 Y N 0.192 120.527 120.300 0.059 0.000 2.263 554 Y HA 0.008 4.545 4.550 -0.022 0.000 0.292 554 Y C 1.827 177.776 175.900 0.081 0.000 1.130 554 Y CA 1.359 59.494 58.100 0.059 0.000 1.179 554 Y CB -0.235 38.247 38.460 0.036 0.000 0.998 554 Y HN 0.194 nan 8.280 nan 0.000 0.532 555 L N -1.491 119.732 121.223 -0.000 0.000 2.291 555 L HA -0.148 4.179 4.340 -0.022 0.000 0.214 555 L C 2.031 178.876 176.870 -0.042 0.000 1.120 555 L CA 0.756 55.546 54.840 -0.083 0.000 0.799 555 L CB -0.531 41.550 42.059 0.036 0.000 0.925 555 L HN 0.179 nan 8.230 nan 0.000 0.446 556 F N -0.308 119.600 119.950 -0.070 0.000 2.186 556 F HA -0.172 4.342 4.527 -0.022 0.000 0.299 556 F C 2.195 177.948 175.800 -0.080 0.000 1.090 556 F CA 1.238 59.210 58.000 -0.047 0.000 1.307 556 F CB 0.093 39.087 39.000 -0.011 0.000 1.019 556 F HN -0.245 nan 8.300 nan 0.000 0.489 557 V N -0.471 119.498 119.914 0.091 0.000 2.591 557 V HA -0.120 3.987 4.120 -0.022 0.000 0.249 557 V C 1.871 177.903 176.094 -0.102 0.000 1.053 557 V CA 1.272 63.580 62.300 0.014 0.000 1.068 557 V CB -0.411 31.435 31.823 0.039 0.000 0.689 557 V HN 0.129 nan 8.190 nan 0.000 0.462 558 R N -0.212 120.160 120.500 -0.212 0.000 2.388 558 R HA 0.344 4.671 4.340 -0.022 0.000 0.247 558 R C 0.067 176.240 176.300 -0.212 0.000 0.931 558 R CA -0.002 55.954 56.100 -0.241 0.000 1.082 558 R CB -0.014 30.052 30.300 -0.391 0.000 1.135 558 R HN 0.358 nan 8.270 nan 0.000 0.525 559 L N 3.740 124.832 121.223 -0.219 0.000 2.265 559 L HA 0.354 4.681 4.340 -0.022 0.000 0.289 559 L C -1.992 174.738 176.870 -0.232 0.000 1.033 559 L CA -1.802 52.891 54.840 -0.246 0.000 0.814 559 L CB 1.681 43.541 42.059 -0.332 0.000 1.203 559 L HN -0.135 nan 8.230 nan 0.000 0.423 560 P HA 0.093 nan 4.420 nan 0.000 0.269 560 P C -0.728 176.452 177.300 -0.200 0.000 1.215 560 P CA -0.251 62.748 63.100 -0.169 0.000 0.780 560 P CB 0.984 32.602 31.700 -0.137 0.000 0.898 561 S N 0.347 115.934 115.700 -0.188 0.000 2.654 561 S HA 0.572 5.028 4.470 -0.022 0.000 0.283 561 S C 0.066 174.523 174.600 -0.239 0.000 1.180 561 S CA -0.333 57.734 58.200 -0.220 0.000 1.021 561 S CB 1.020 64.087 63.200 -0.222 0.000 1.018 561 S HN 0.670 nan 8.310 nan 0.000 0.532 562 S N -0.276 115.258 115.700 -0.276 0.000 2.588 562 S HA 0.634 5.090 4.470 -0.022 0.000 0.269 562 S C -0.588 173.830 174.600 -0.304 0.000 1.157 562 S CA -0.633 57.411 58.200 -0.260 0.000 0.824 562 S CB 0.371 63.508 63.200 -0.105 0.000 1.126 562 S HN 0.505 nan 8.310 nan 0.000 0.464 563 F N 0.861 120.814 119.950 0.004 0.000 2.213 563 F HA 0.537 5.052 4.527 -0.020 0.000 0.272 563 F C 0.160 175.970 175.800 0.016 0.000 1.095 563 F CA -0.101 57.897 58.000 -0.004 0.000 1.128 563 F CB 0.154 39.146 39.000 -0.012 0.000 1.091 563 F HN 0.281 nan 8.300 nan 0.000 0.530 564 L N -0.205 121.184 121.223 0.277 0.000 2.401 564 L HA 0.461 4.788 4.340 -0.022 0.000 0.266 564 L C -2.605 174.399 176.870 0.224 0.000 0.991 564 L CA -1.787 53.212 54.840 0.264 0.000 0.818 564 L CB 1.316 43.527 42.059 0.253 0.000 1.321 564 L HN -0.149 nan 8.230 nan 0.000 0.413 565 P HA 0.142 nan 4.420 nan 0.000 0.271 565 P C -1.020 176.373 177.300 0.155 0.000 1.216 565 P CA -0.438 62.749 63.100 0.145 0.000 0.771 565 P CB 0.400 32.156 31.700 0.095 0.000 0.864 566 D N 2.226 122.703 120.400 0.128 0.000 2.449 566 D HA 0.073 4.700 4.640 -0.022 0.000 0.236 566 D C 0.305 176.694 176.300 0.147 0.000 1.149 566 D CA 0.691 54.772 54.000 0.134 0.000 0.878 566 D CB 0.465 41.334 40.800 0.114 0.000 1.198 566 D HN 0.302 nan 8.370 nan 0.000 0.446 567 E N 0.702 120.998 120.200 0.161 0.000 2.288 567 E HA 0.118 4.455 4.350 -0.022 0.000 0.268 567 E C -0.762 175.946 176.600 0.181 0.000 0.885 567 E CA -0.693 55.821 56.400 0.190 0.000 0.767 567 E CB 1.676 31.526 29.700 0.251 0.000 1.220 567 E HN 0.296 nan 8.360 nan 0.000 0.427 568 D N 1.977 122.524 120.400 0.244 0.000 2.416 568 D HA -0.042 4.585 4.640 -0.022 0.000 0.240 568 D C 0.035 176.600 176.300 0.441 0.000 1.250 568 D CA 0.306 54.494 54.000 0.314 0.000 0.967 568 D CB 0.283 41.299 40.800 0.359 0.000 1.059 568 D HN 0.329 nan 8.370 nan 0.000 0.512 569 Q N 1.894 121.830 119.800 0.227 0.000 2.228 569 Q HA 0.195 4.522 4.340 -0.022 0.000 0.211 569 Q C 1.168 177.309 176.000 0.234 0.000 0.890 569 Q CA 0.188 56.026 55.803 0.058 0.000 0.953 569 Q CB -0.094 28.521 28.738 -0.204 0.000 1.053 569 Q HN 0.771 nan 8.270 nan 0.000 0.471 570 G N -0.371 108.569 108.800 0.233 0.000 2.175 570 G HA2 -0.266 3.681 3.960 -0.022 0.000 0.265 570 G HA3 -0.266 3.681 3.960 -0.022 0.000 0.265 570 G C -0.098 174.754 174.900 -0.080 0.000 0.979 570 G CA 0.500 45.516 45.100 -0.139 0.000 0.663 570 G HN 0.347 nan 8.290 nan 0.000 0.533 571 V N -0.055 119.868 119.914 0.014 0.000 3.048 571 V HA 0.850 4.957 4.120 -0.022 0.000 0.303 571 V C -0.497 175.581 176.094 -0.025 0.000 1.214 571 V CA -0.267 61.947 62.300 -0.142 0.000 0.984 571 V CB 2.189 34.010 31.823 -0.004 0.000 1.054 571 V HN 1.113 nan 8.190 nan 0.000 0.430 572 F N 2.299 122.041 119.950 -0.346 0.000 2.831 572 F HA 0.902 5.416 4.527 -0.022 0.000 0.318 572 F C -0.924 174.625 175.800 -0.417 0.000 1.174 572 F CA -1.306 56.539 58.000 -0.259 0.000 0.918 572 F CB 1.989 40.898 39.000 -0.151 0.000 1.364 572 F HN 0.578 nan 8.300 nan 0.000 0.475 573 M N 1.399 120.956 119.600 -0.072 0.000 2.433 573 M HA 0.638 5.105 4.480 -0.022 0.000 0.290 573 M C -1.648 174.526 176.300 -0.210 0.000 1.173 573 M CA -0.440 54.758 55.300 -0.171 0.000 0.905 573 M CB 2.337 34.959 32.600 0.035 0.000 1.692 573 M HN 0.909 nan 8.290 nan 0.000 0.462 574 T N 3.536 118.103 114.554 0.022 0.000 2.859 574 T HA 0.786 5.122 4.350 -0.022 0.000 0.281 574 T C -0.605 174.170 174.700 0.124 0.000 1.005 574 T CA -0.758 61.422 62.100 0.134 0.000 1.025 574 T CB 0.932 70.034 68.868 0.389 0.000 0.977 574 T HN 0.824 nan 8.240 nan 0.000 0.458 575 M N 3.404 123.140 119.600 0.228 0.000 2.456 575 M HA 0.789 5.256 4.480 -0.022 0.000 0.324 575 M C -1.499 174.903 176.300 0.171 0.000 1.124 575 M CA -0.825 54.599 55.300 0.207 0.000 0.959 575 M CB 1.900 34.681 32.600 0.302 0.000 1.692 575 M HN 0.205 nan 8.290 nan 0.000 0.444 576 V N 2.483 122.442 119.914 0.076 0.000 2.417 576 V HA 0.601 4.708 4.120 -0.022 0.000 0.291 576 V C -0.819 175.295 176.094 0.033 0.000 1.024 576 V CA -0.246 62.072 62.300 0.029 0.000 0.861 576 V CB 1.497 33.304 31.823 -0.027 0.000 0.985 576 V HN 0.924 nan 8.190 nan 0.000 0.436 577 Q N 4.407 124.235 119.800 0.047 0.000 2.337 577 Q HA 0.473 4.800 4.340 -0.022 0.000 0.260 577 Q C -1.377 174.641 176.000 0.029 0.000 0.982 577 Q CA -0.255 55.575 55.803 0.044 0.000 0.734 577 Q CB 1.267 30.053 28.738 0.080 0.000 1.272 577 Q HN 0.582 nan 8.270 nan 0.000 0.461 578 L N 4.451 125.683 121.223 0.014 0.000 2.439 578 L HA 0.577 4.903 4.340 -0.022 0.000 0.261 578 L C -1.901 174.981 176.870 0.020 0.000 1.153 578 L CA -1.769 53.077 54.840 0.010 0.000 0.808 578 L CB 0.461 42.521 42.059 0.002 0.000 1.126 578 L HN 0.582 nan 8.230 nan 0.000 0.460 579 P HA 0.074 nan 4.420 nan 0.000 0.269 579 P C -0.695 176.624 177.300 0.032 0.000 1.215 579 P CA -0.418 62.698 63.100 0.026 0.000 0.780 579 P CB 0.429 32.141 31.700 0.020 0.000 0.898 580 A N 2.425 125.271 122.820 0.044 0.000 2.598 580 A HA 0.331 4.638 4.320 -0.022 0.000 0.239 580 A C 1.492 179.107 177.584 0.052 0.000 1.032 580 A CA 0.942 53.013 52.037 0.056 0.000 0.760 580 A CB -1.614 17.432 19.000 0.077 0.000 0.946 580 A HN 0.940 nan 8.150 nan 0.000 0.512 581 G N 0.551 109.383 108.800 0.053 0.000 2.136 581 G HA2 0.182 4.129 3.960 -0.022 0.000 0.242 581 G HA3 0.182 4.129 3.960 -0.022 0.000 0.242 581 G C 0.480 175.400 174.900 0.033 0.000 0.989 581 G CA 0.480 45.610 45.100 0.050 0.000 0.682 581 G HN 2.259 nan 8.290 nan 0.000 0.522 582 A N -0.034 122.802 122.820 0.027 0.000 2.371 582 A HA 0.737 5.044 4.320 -0.022 0.000 0.257 582 A C 0.831 178.425 177.584 0.017 0.000 1.089 582 A CA 0.873 52.919 52.037 0.016 0.000 0.794 582 A CB 0.484 19.490 19.000 0.011 0.000 1.029 582 A HN 0.715 nan 8.150 nan 0.000 0.488 583 T N 1.492 116.051 114.554 0.009 0.000 2.913 583 T HA 0.149 4.486 4.350 -0.022 0.000 0.297 583 T C 1.531 176.235 174.700 0.006 0.000 1.029 583 T CA 0.268 62.373 62.100 0.009 0.000 1.104 583 T CB 1.200 70.068 68.868 -0.000 0.000 0.964 583 T HN 0.821 nan 8.240 nan 0.000 0.532 584 Q N 1.921 121.727 119.800 0.010 0.000 2.082 584 Q HA -0.278 4.048 4.340 -0.022 0.000 0.211 584 Q C 2.064 178.063 176.000 -0.001 0.000 1.002 584 Q CA 2.398 58.207 55.803 0.010 0.000 0.868 584 Q CB -0.113 28.635 28.738 0.016 0.000 0.931 584 Q HN 0.836 nan 8.270 nan 0.000 0.414 585 E N -0.471 119.723 120.200 -0.009 0.000 2.118 585 E HA -0.221 4.116 4.350 -0.022 0.000 0.195 585 E C 2.070 178.659 176.600 -0.018 0.000 0.992 585 E CA 1.123 57.513 56.400 -0.017 0.000 0.804 585 E CB 0.066 29.752 29.700 -0.024 0.000 0.741 585 E HN 0.373 nan 8.360 nan 0.000 0.458 586 R N -0.459 120.032 120.500 -0.016 0.000 2.115 586 R HA -0.061 4.265 4.340 -0.022 0.000 0.230 586 R C 2.270 178.558 176.300 -0.020 0.000 1.111 586 R CA 1.627 57.716 56.100 -0.018 0.000 0.976 586 R CB -0.385 29.906 30.300 -0.015 0.000 0.870 586 R HN 0.202 nan 8.270 nan 0.000 0.445 587 T N 0.828 115.373 114.554 -0.016 0.000 2.942 587 T HA -0.110 4.227 4.350 -0.022 0.000 0.265 587 T C 1.720 176.406 174.700 -0.023 0.000 1.062 587 T CA 0.900 62.989 62.100 -0.019 0.000 1.139 587 T CB -0.041 68.820 68.868 -0.010 0.000 0.883 587 T HN 0.107 nan 8.240 nan 0.000 0.468 588 Q N 1.858 121.647 119.800 -0.017 0.000 2.084 588 Q HA -0.027 4.300 4.340 -0.022 0.000 0.202 588 Q C 2.259 178.245 176.000 -0.023 0.000 0.978 588 Q CA 1.513 57.306 55.803 -0.017 0.000 0.844 588 Q CB -0.253 28.477 28.738 -0.013 0.000 0.898 588 Q HN 0.317 nan 8.270 nan 0.000 0.426 589 K N -0.550 119.834 120.400 -0.027 0.000 2.032 589 K HA -0.116 4.190 4.320 -0.022 0.000 0.209 589 K C 1.852 178.427 176.600 -0.041 0.000 1.048 589 K CA 1.656 57.924 56.287 -0.031 0.000 0.927 589 K CB -0.204 32.277 32.500 -0.032 0.000 0.712 589 K HN 0.211 nan 8.250 nan 0.000 0.441 590 V N 1.671 121.554 119.914 -0.052 0.000 2.427 590 V HA -0.227 3.880 4.120 -0.022 0.000 0.248 590 V C 2.419 178.449 176.094 -0.107 0.000 1.051 590 V CA 1.323 63.571 62.300 -0.087 0.000 1.048 590 V CB -0.299 31.468 31.823 -0.093 0.000 0.666 590 V HN 0.260 nan 8.190 nan 0.000 0.456 591 L N 0.060 121.242 121.223 -0.068 0.000 2.046 591 L HA -0.160 4.166 4.340 -0.022 0.000 0.208 591 L C 2.457 179.318 176.870 -0.015 0.000 1.077 591 L CA 1.461 56.273 54.840 -0.047 0.000 0.747 591 L CB -0.730 41.317 42.059 -0.021 0.000 0.896 591 L HN 0.337 nan 8.230 nan 0.000 0.432 592 N N 0.088 118.783 118.700 -0.008 0.000 2.094 592 N HA -0.222 4.505 4.740 -0.022 0.000 0.191 592 N C 1.730 177.275 175.510 0.058 0.000 1.023 592 N CA 1.426 54.488 53.050 0.020 0.000 0.857 592 N CB -0.171 38.319 38.487 0.005 0.000 1.013 592 N HN 0.433 nan 8.380 nan 0.000 0.426 593 E N -0.076 120.137 120.200 0.022 0.000 2.106 593 E HA -0.068 4.269 4.350 -0.022 0.000 0.192 593 E C 1.948 178.626 176.600 0.131 0.000 0.984 593 E CA 0.676 57.114 56.400 0.062 0.000 0.806 593 E CB 0.057 29.757 29.700 0.001 0.000 0.750 593 E HN 0.104 nan 8.360 nan 0.000 0.458 594 V N 1.327 121.228 119.914 -0.022 0.000 2.295 594 V HA -0.252 3.854 4.120 -0.022 0.000 0.246 594 V C 2.332 178.576 176.094 0.250 0.000 1.049 594 V CA 2.169 64.461 62.300 -0.014 0.000 1.024 594 V CB -0.772 30.942 31.823 -0.182 0.000 0.648 594 V HN 0.320 nan 8.190 nan 0.000 0.447 595 T N -1.254 113.423 114.554 0.205 0.000 2.746 595 T HA -0.267 4.070 4.350 -0.022 0.000 0.267 595 T C 1.855 176.675 174.700 0.200 0.000 1.039 595 T CA 2.097 64.324 62.100 0.212 0.000 1.142 595 T CB -0.403 68.520 68.868 0.092 0.000 0.866 595 T HN 0.681 nan 8.240 nan 0.000 0.444 596 H N -0.284 118.853 119.070 0.112 0.000 2.387 596 H HA -0.117 4.426 4.556 -0.022 0.000 0.299 596 H C 2.041 177.432 175.328 0.106 0.000 1.090 596 H CA 1.750 57.851 56.048 0.088 0.000 1.332 596 H CB -0.309 29.497 29.762 0.074 0.000 1.386 596 H HN 0.483 nan 8.280 nan 0.000 0.516 597 Y N -0.218 120.172 120.300 0.150 0.000 2.114 597 Y HA -0.315 4.222 4.550 -0.022 0.000 0.284 597 Y C 1.597 177.467 175.900 -0.051 0.000 1.143 597 Y CA 1.828 59.935 58.100 0.013 0.000 1.135 597 Y CB -0.742 37.691 38.460 -0.045 0.000 0.980 597 Y HN 0.231 nan 8.280 nan 0.000 0.499 598 Y N -0.004 120.294 120.300 -0.003 0.000 2.293 598 Y HA -0.134 4.403 4.550 -0.022 0.000 0.291 598 Y C 2.212 177.998 175.900 -0.190 0.000 1.137 598 Y CA 1.385 59.401 58.100 -0.140 0.000 1.202 598 Y CB -0.436 38.056 38.460 0.053 0.000 0.990 598 Y HN 0.181 nan 8.280 nan 0.000 0.537 599 L N -1.940 119.269 121.223 -0.023 0.000 2.416 599 L HA -0.027 4.299 4.340 -0.022 0.000 0.216 599 L C 1.930 178.688 176.870 -0.187 0.000 1.098 599 L CA 0.736 55.513 54.840 -0.104 0.000 0.840 599 L CB -0.330 41.665 42.059 -0.105 0.000 0.981 599 L HN 0.106 nan 8.230 nan 0.000 0.462 600 T N -0.442 113.947 114.554 -0.274 0.000 2.818 600 T HA -0.056 4.280 4.350 -0.022 0.000 0.246 600 T C 1.768 176.344 174.700 -0.206 0.000 1.036 600 T CA 0.939 62.873 62.100 -0.276 0.000 1.160 600 T CB 0.114 68.759 68.868 -0.372 0.000 0.869 600 T HN 0.122 nan 8.240 nan 0.000 0.419 601 K N 0.565 120.795 120.400 -0.283 0.000 2.400 601 K HA 0.151 4.458 4.320 -0.022 0.000 0.194 601 K C 0.963 177.381 176.600 -0.303 0.000 1.033 601 K CA 0.509 56.621 56.287 -0.290 0.000 1.021 601 K CB 0.323 32.625 32.500 -0.330 0.000 0.808 601 K HN 0.097 nan 8.250 nan 0.000 0.505 602 E N 0.506 120.522 120.200 -0.306 0.000 2.989 602 E HA 0.069 4.406 4.350 -0.022 0.000 0.207 602 E C 0.632 177.181 176.600 -0.086 0.000 0.989 602 E CA -0.077 56.229 56.400 -0.156 0.000 1.186 602 E CB 0.397 30.047 29.700 -0.082 0.000 1.141 602 E HN 0.022 nan 8.360 nan 0.000 0.454 603 K N 0.248 120.588 120.400 -0.100 0.000 2.032 603 K HA -0.187 4.120 4.320 -0.022 0.000 0.209 603 K C 1.258 177.826 176.600 -0.053 0.000 1.048 603 K CA 1.659 57.899 56.287 -0.078 0.000 0.927 603 K CB 0.104 32.556 32.500 -0.080 0.000 0.712 603 K HN 0.131 nan 8.250 nan 0.000 0.441 604 N N 0.741 119.415 118.700 -0.042 0.000 2.166 604 N HA -0.126 4.601 4.740 -0.022 0.000 0.186 604 N C 1.236 176.732 175.510 -0.023 0.000 1.019 604 N CA 1.452 54.486 53.050 -0.027 0.000 0.856 604 N CB -0.342 38.134 38.487 -0.018 0.000 0.993 604 N HN 0.405 nan 8.380 nan 0.000 0.426 605 N N -0.342 118.346 118.700 -0.020 0.000 2.258 605 N HA 0.037 4.764 4.740 -0.022 0.000 0.183 605 N C -0.080 175.410 175.510 -0.034 0.000 1.029 605 N CA 0.110 53.154 53.050 -0.010 0.000 0.857 605 N CB 0.487 38.988 38.487 0.024 0.000 1.008 605 N HN -0.130 nan 8.380 nan 0.000 0.433 606 V N 2.237 122.127 119.914 -0.040 0.000 2.439 606 V HA -0.002 4.105 4.120 -0.022 0.000 0.271 606 V C 1.090 177.123 176.094 -0.102 0.000 1.040 606 V CA 0.286 62.531 62.300 -0.092 0.000 1.002 606 V CB 1.238 33.011 31.823 -0.083 0.000 1.000 606 V HN 0.244 nan 8.190 nan 0.000 0.477 607 E N 4.543 124.672 120.200 -0.119 0.000 2.033 607 E HA -0.032 4.305 4.350 -0.022 0.000 0.189 607 E C 0.892 177.423 176.600 -0.116 0.000 0.979 607 E CA 1.243 57.594 56.400 -0.081 0.000 0.802 607 E CB 0.235 29.907 29.700 -0.047 0.000 0.763 607 E HN 0.826 nan 8.360 nan 0.000 0.449 608 S N -1.717 113.869 115.700 -0.189 0.000 2.607 608 S HA 0.652 5.109 4.470 -0.022 0.000 0.273 608 S C -1.214 173.170 174.600 -0.358 0.000 1.148 608 S CA -0.782 57.198 58.200 -0.366 0.000 0.833 608 S CB 2.015 64.915 63.200 -0.500 0.000 1.130 608 S HN -0.023 nan 8.310 nan 0.000 0.470 609 V N 1.954 121.619 119.914 -0.416 0.000 2.398 609 V HA 0.425 4.532 4.120 -0.022 0.000 0.282 609 V C -1.344 174.653 176.094 -0.161 0.000 1.014 609 V CA -0.394 61.765 62.300 -0.235 0.000 0.838 609 V CB 0.698 32.453 31.823 -0.114 0.000 1.018 609 V HN 0.879 nan 8.190 nan 0.000 0.432 610 F N 4.344 124.247 119.950 -0.078 0.000 2.405 610 F HA 0.635 5.149 4.527 -0.021 0.000 0.358 610 F C 0.890 176.714 175.800 0.040 0.000 1.151 610 F CA -0.245 57.790 58.000 0.059 0.000 1.161 610 F CB 0.609 39.734 39.000 0.209 0.000 1.245 610 F HN 0.568 nan 8.300 nan 0.000 0.545 611 A N 5.289 128.136 122.820 0.046 0.000 2.289 611 A HA 0.613 4.920 4.320 -0.022 0.000 0.298 611 A C -0.907 176.725 177.584 0.080 0.000 1.208 611 A CA -0.526 51.548 52.037 0.062 0.000 0.845 611 A CB 0.582 19.582 19.000 0.001 0.000 1.125 611 A HN 0.484 nan 8.150 nan 0.000 0.517 612 V N 4.501 124.477 119.914 0.104 0.000 2.304 612 V HA 0.204 4.311 4.120 -0.022 0.000 0.278 612 V C 0.313 176.437 176.094 0.050 0.000 1.018 612 V CA -0.644 61.705 62.300 0.082 0.000 0.814 612 V CB 0.752 32.619 31.823 0.074 0.000 1.021 612 V HN 0.957 nan 8.190 nan 0.000 0.440 613 N N 3.612 122.333 118.700 0.035 0.000 2.406 613 N HA 0.487 5.213 4.740 -0.022 0.000 0.251 613 N C 0.964 176.499 175.510 0.042 0.000 1.069 613 N CA 0.824 53.890 53.050 0.026 0.000 0.947 613 N CB 0.921 39.417 38.487 0.016 0.000 1.111 613 N HN 0.895 nan 8.380 nan 0.000 0.497 614 G N 3.710 112.535 108.800 0.043 0.000 3.465 614 G HA2 -0.198 3.749 3.960 -0.022 0.000 0.196 614 G HA3 -0.198 3.749 3.960 -0.022 0.000 0.196 614 G C -0.310 174.641 174.900 0.085 0.000 1.170 614 G CA -0.641 44.496 45.100 0.062 0.000 0.887 614 G HN 0.541 nan 8.290 nan 0.000 0.444 615 F N 2.783 122.690 119.950 -0.071 0.000 2.396 615 F HA 0.642 5.156 4.527 -0.022 0.000 0.343 615 F C 0.616 176.323 175.800 -0.156 0.000 1.104 615 F CA 0.702 58.636 58.000 -0.109 0.000 1.161 615 F CB 1.572 40.480 39.000 -0.154 0.000 1.146 615 F HN 0.463 nan 8.300 nan 0.000 0.522 616 G N 3.971 112.182 108.800 -0.982 0.000 2.708 616 G HA2 0.322 4.269 3.960 -0.022 0.000 0.289 616 G HA3 0.322 4.269 3.960 -0.022 0.000 0.289 616 G C -0.955 173.400 174.900 -0.909 0.000 1.416 616 G CA -0.620 44.005 45.100 -0.793 0.000 0.829 616 G HN 0.520 nan 8.290 nan 0.000 0.480 617 F N 0.542 120.282 119.950 -0.350 0.000 2.569 617 F HA 0.265 4.778 4.527 -0.023 0.000 0.295 617 F C 2.582 178.288 175.800 -0.157 0.000 1.115 617 F CA 0.778 58.637 58.000 -0.235 0.000 1.450 617 F CB -0.109 38.837 39.000 -0.091 0.000 1.107 617 F HN 0.488 nan 8.300 nan 0.000 0.563 618 A N -0.038 122.798 122.820 0.027 0.000 1.826 618 A HA 0.393 4.700 4.320 -0.022 0.000 0.214 618 A C 1.797 179.379 177.584 -0.004 0.000 1.212 618 A CA 1.629 53.673 52.037 0.012 0.000 0.605 618 A CB -1.167 17.838 19.000 0.008 0.000 0.861 618 A HN 0.349 nan 8.150 nan 0.000 0.447 619 G N -1.766 107.011 108.800 -0.039 0.000 3.195 619 G HA2 0.593 4.540 3.960 -0.022 0.000 0.217 619 G HA3 0.593 4.540 3.960 -0.022 0.000 0.217 619 G C -0.907 173.947 174.900 -0.076 0.000 1.166 619 G CA -0.812 44.272 45.100 -0.025 0.000 0.812 619 G HN 0.402 nan 8.290 nan 0.000 0.617 620 R N -1.287 119.207 120.500 -0.011 0.000 2.744 620 R HA 0.691 5.017 4.340 -0.022 0.000 0.279 620 R C -0.549 175.770 176.300 0.032 0.000 0.977 620 R CA -0.238 55.867 56.100 0.009 0.000 0.906 620 R CB 2.353 32.708 30.300 0.092 0.000 1.197 620 R HN 1.274 nan 8.270 nan 0.000 0.463 621 G N 0.470 109.291 108.800 0.034 0.000 2.350 621 G HA2 -0.056 3.891 3.960 -0.022 0.000 0.305 621 G HA3 -0.056 3.891 3.960 -0.022 0.000 0.305 621 G C -0.114 174.807 174.900 0.035 0.000 1.479 621 G CA -0.867 44.259 45.100 0.043 0.000 0.949 621 G HN 0.551 nan 8.290 nan 0.000 0.651 622 Q N -0.366 119.458 119.800 0.042 0.000 2.268 622 Q HA -0.237 4.090 4.340 -0.022 0.000 0.210 622 Q C 2.276 178.289 176.000 0.022 0.000 0.988 622 Q CA 1.801 57.624 55.803 0.034 0.000 0.883 622 Q CB -0.044 28.716 28.738 0.037 0.000 0.911 622 Q HN 0.525 nan 8.270 nan 0.000 0.430 623 N N 0.162 118.876 118.700 0.023 0.000 2.149 623 N HA -0.101 4.626 4.740 -0.022 0.000 0.188 623 N C 0.186 175.700 175.510 0.006 0.000 1.019 623 N CA 1.300 54.361 53.050 0.018 0.000 0.857 623 N CB 0.146 38.648 38.487 0.026 0.000 0.997 623 N HN 0.124 nan 8.380 nan 0.000 0.426 624 T N -1.635 112.917 114.554 -0.004 0.000 2.907 624 T HA 0.722 5.058 4.350 -0.022 0.000 0.292 624 T C -0.289 174.390 174.700 -0.035 0.000 1.043 624 T CA -0.356 61.730 62.100 -0.024 0.000 1.003 624 T CB 1.400 70.240 68.868 -0.047 0.000 1.084 624 T HN 0.227 nan 8.240 nan 0.000 0.483 625 G N 1.817 110.592 108.800 -0.041 0.000 2.921 625 G HA2 0.802 4.749 3.960 -0.022 0.000 0.291 625 G HA3 0.802 4.749 3.960 -0.022 0.000 0.291 625 G C -1.800 173.067 174.900 -0.056 0.000 1.370 625 G CA -0.649 44.428 45.100 -0.037 0.000 0.847 625 G HN 0.858 nan 8.290 nan 0.000 0.532 626 I N -0.863 119.692 120.570 -0.026 0.000 2.841 626 I HA 0.619 4.775 4.170 -0.022 0.000 0.298 626 I C -1.039 175.109 176.117 0.051 0.000 1.304 626 I CA -0.946 60.346 61.300 -0.014 0.000 1.019 626 I CB 2.392 40.328 38.000 -0.108 0.000 1.282 626 I HN 0.777 nan 8.210 nan 0.000 0.432 627 A N 5.814 128.682 122.820 0.081 0.000 2.466 627 A HA 0.540 4.847 4.320 -0.022 0.000 0.291 627 A C -1.315 176.325 177.584 0.093 0.000 1.234 627 A CA -0.284 51.819 52.037 0.109 0.000 0.752 627 A CB 0.369 19.442 19.000 0.122 0.000 1.153 627 A HN 0.500 nan 8.150 nan 0.000 0.458 628 F N 3.226 123.149 119.950 -0.044 0.000 2.427 628 F HA 0.534 5.048 4.527 -0.021 0.000 0.352 628 F C -0.201 175.451 175.800 -0.246 0.000 1.100 628 F CA -0.130 57.789 58.000 -0.134 0.000 1.191 628 F CB 1.322 40.273 39.000 -0.082 0.000 1.128 628 F HN 0.278 nan 8.300 nan 0.000 0.533 629 V N 5.714 124.977 119.914 -1.085 0.000 2.378 629 V HA 0.359 4.466 4.120 -0.022 0.000 0.288 629 V C -0.312 175.144 176.094 -1.063 0.000 1.016 629 V CA -0.698 60.928 62.300 -1.123 0.000 0.840 629 V CB 1.150 31.916 31.823 -1.761 0.000 0.994 629 V HN 0.836 nan 8.190 nan 0.000 0.431 630 S N 5.579 120.932 115.700 -0.579 0.000 2.646 630 S HA 0.807 5.264 4.470 -0.022 0.000 0.276 630 S C -0.358 174.066 174.600 -0.293 0.000 1.222 630 S CA -0.565 57.435 58.200 -0.333 0.000 1.014 630 S CB 1.450 64.618 63.200 -0.053 0.000 0.991 630 S HN 0.501 nan 8.310 nan 0.000 0.533 631 L N 1.148 122.241 121.223 -0.217 0.000 2.333 631 L HA 0.494 4.821 4.340 -0.022 0.000 0.263 631 L C -0.014 176.755 176.870 -0.169 0.000 1.014 631 L CA -1.104 53.629 54.840 -0.179 0.000 0.820 631 L CB 1.250 43.219 42.059 -0.151 0.000 1.352 631 L HN 0.413 nan 8.230 nan 0.000 0.421 632 K N 1.492 121.813 120.400 -0.132 0.000 2.451 632 K HA 0.056 4.362 4.320 -0.022 0.000 0.280 632 K C -0.726 175.736 176.600 -0.230 0.000 1.020 632 K CA -0.087 56.122 56.287 -0.130 0.000 1.008 632 K CB 0.387 32.842 32.500 -0.074 0.000 0.917 632 K HN 0.613 nan 8.250 nan 0.000 0.478 633 D N 1.132 121.348 120.400 -0.307 0.000 2.414 633 D HA -0.042 4.584 4.640 -0.022 0.000 0.242 633 D C 0.853 176.906 176.300 -0.412 0.000 1.129 633 D CA -0.577 53.031 54.000 -0.653 0.000 0.885 633 D CB 0.326 40.741 40.800 -0.643 0.000 1.198 633 D HN 0.548 nan 8.370 nan 0.000 0.437 634 W N 2.002 123.348 121.300 0.076 0.000 2.108 634 W HA -0.417 4.229 4.660 -0.023 0.000 0.338 634 W C 2.144 178.697 176.519 0.055 0.000 1.436 634 W CA 1.708 59.097 57.345 0.073 0.000 1.546 634 W CB -1.608 27.905 29.460 0.088 0.000 1.054 634 W HN 0.524 nan 8.180 nan 0.000 0.494 635 A N 0.195 123.204 122.820 0.315 0.000 2.032 635 A HA -0.218 4.089 4.320 -0.022 0.000 0.221 635 A C 1.677 179.325 177.584 0.107 0.000 1.165 635 A CA 2.179 54.331 52.037 0.192 0.000 0.645 635 A CB -0.727 18.372 19.000 0.165 0.000 0.807 635 A HN 0.442 nan 8.150 nan 0.000 0.453 636 D N -1.292 119.148 120.400 0.068 0.000 2.369 636 D HA 0.092 4.719 4.640 -0.022 0.000 0.211 636 D C 0.268 176.593 176.300 0.043 0.000 1.077 636 D CA 0.218 54.240 54.000 0.038 0.000 0.842 636 D CB 0.174 40.977 40.800 0.005 0.000 0.947 636 D HN 0.394 nan 8.370 nan 0.000 0.509 637 R N 1.210 121.753 120.500 0.072 0.000 2.477 637 R HA 0.242 4.569 4.340 -0.022 0.000 0.285 637 R C -1.851 174.508 176.300 0.100 0.000 1.415 637 R CA -1.244 54.902 56.100 0.077 0.000 1.446 637 R CB 1.469 31.817 30.300 0.080 0.000 1.110 637 R HN -0.075 nan 8.270 nan 0.000 0.590 638 P HA -0.116 nan 4.420 nan 0.000 0.213 638 P C 0.919 178.263 177.300 0.073 0.000 1.170 638 P CA 0.859 64.004 63.100 0.076 0.000 0.889 638 P CB 0.250 31.983 31.700 0.055 0.000 0.782 639 G N -0.633 108.203 108.800 0.060 0.000 2.563 639 G HA2 0.052 3.999 3.960 -0.022 0.000 0.283 639 G HA3 0.052 3.999 3.960 -0.022 0.000 0.283 639 G C 0.817 175.753 174.900 0.059 0.000 1.309 639 G CA -0.278 44.854 45.100 0.053 0.000 1.022 639 G HN -0.034 nan 8.290 nan 0.000 0.501 640 E N 0.124 120.354 120.200 0.049 0.000 2.072 640 E HA -0.136 4.200 4.350 -0.022 0.000 0.191 640 E C 2.474 179.101 176.600 0.045 0.000 0.985 640 E CA 1.154 57.583 56.400 0.049 0.000 0.801 640 E CB -0.062 29.660 29.700 0.038 0.000 0.750 640 E HN 0.773 nan 8.360 nan 0.000 0.452 641 E N 0.557 120.779 120.200 0.036 0.000 2.338 641 E HA -0.157 4.179 4.350 -0.022 0.000 0.197 641 E C 0.599 177.221 176.600 0.038 0.000 1.007 641 E CA 0.800 57.218 56.400 0.031 0.000 0.849 641 E CB -0.363 29.350 29.700 0.022 0.000 0.774 641 E HN 0.116 nan 8.360 nan 0.000 0.506 642 N N 0.313 119.043 118.700 0.049 0.000 2.322 642 N HA 0.077 4.804 4.740 -0.022 0.000 0.194 642 N C -0.283 175.275 175.510 0.081 0.000 1.126 642 N CA 0.095 53.180 53.050 0.059 0.000 0.845 642 N CB 0.490 39.011 38.487 0.057 0.000 0.976 642 N HN 0.091 nan 8.380 nan 0.000 0.475 643 K N -0.388 120.062 120.400 0.083 0.000 2.106 643 K HA 0.279 4.586 4.320 -0.022 0.000 0.246 643 K C 0.915 177.560 176.600 0.074 0.000 0.987 643 K CA -0.596 55.756 56.287 0.108 0.000 0.904 643 K CB 1.712 34.282 32.500 0.118 0.000 1.071 643 K HN -0.255 nan 8.250 nan 0.000 0.453 644 V N 1.800 121.771 119.914 0.094 0.000 2.278 644 V HA -0.296 3.811 4.120 -0.022 0.000 0.251 644 V C 2.009 178.061 176.094 -0.070 0.000 1.062 644 V CA 1.823 64.135 62.300 0.020 0.000 1.038 644 V CB -0.431 31.455 31.823 0.104 0.000 0.646 644 V HN 0.722 nan 8.190 nan 0.000 0.447 645 E N 0.286 120.485 120.200 -0.001 0.000 2.086 645 E HA -0.267 4.070 4.350 -0.022 0.000 0.200 645 E C 2.317 178.899 176.600 -0.030 0.000 1.012 645 E CA 1.897 58.293 56.400 -0.008 0.000 0.812 645 E CB -0.678 29.038 29.700 0.026 0.000 0.743 645 E HN 0.627 nan 8.360 nan 0.000 0.453 646 A N 0.851 123.663 122.820 -0.014 0.000 1.897 646 A HA -0.066 4.241 4.320 -0.022 0.000 0.215 646 A C 2.391 179.960 177.584 -0.025 0.000 1.181 646 A CA 0.883 52.913 52.037 -0.011 0.000 0.620 646 A CB -0.584 18.422 19.000 0.010 0.000 0.821 646 A HN 0.168 nan 8.150 nan 0.000 0.443 647 I N 0.620 121.166 120.570 -0.040 0.000 2.163 647 I HA -0.278 3.879 4.170 -0.022 0.000 0.243 647 I C 2.832 178.903 176.117 -0.076 0.000 1.085 647 I CA 1.980 63.266 61.300 -0.023 0.000 1.347 647 I CB -0.651 37.348 38.000 -0.003 0.000 1.044 647 I HN 0.542 nan 8.210 nan 0.000 0.408 648 T N -1.522 112.869 114.554 -0.272 0.000 2.904 648 T HA -0.153 4.184 4.350 -0.022 0.000 0.267 648 T C 1.753 176.405 174.700 -0.080 0.000 1.059 648 T CA 0.848 62.773 62.100 -0.291 0.000 1.137 648 T CB -0.263 68.352 68.868 -0.420 0.000 0.879 648 T HN 0.123 nan 8.240 nan 0.000 0.467 649 M N 2.326 121.890 119.600 -0.059 0.000 2.132 649 M HA 0.089 4.556 4.480 -0.022 0.000 0.263 649 M C 2.364 178.636 176.300 -0.047 0.000 1.065 649 M CA 1.388 56.669 55.300 -0.032 0.000 1.122 649 M CB -0.362 32.225 32.600 -0.022 0.000 1.365 649 M HN 0.424 nan 8.290 nan 0.000 0.411 650 R N -0.737 119.741 120.500 -0.037 0.000 2.275 650 R HA 0.208 4.535 4.340 -0.022 0.000 0.199 650 R C 1.754 177.968 176.300 -0.144 0.000 0.989 650 R CA 0.925 56.993 56.100 -0.055 0.000 1.016 650 R CB -0.588 29.712 30.300 0.000 0.000 0.918 650 R HN 0.303 nan 8.270 nan 0.000 0.473 651 A N 1.626 124.378 122.820 -0.114 0.000 1.873 651 A HA -0.099 4.207 4.320 -0.022 0.000 0.215 651 A C 2.163 179.498 177.584 -0.415 0.000 1.186 651 A CA 1.784 53.605 52.037 -0.359 0.000 0.616 651 A CB -0.956 18.105 19.000 0.102 0.000 0.823 651 A HN 0.508 nan 8.150 nan 0.000 0.442 652 T N -0.505 113.977 114.554 -0.120 0.000 2.788 652 T HA -0.186 4.151 4.350 -0.022 0.000 0.268 652 T C 1.951 176.560 174.700 -0.152 0.000 1.044 652 T CA 1.404 63.463 62.100 -0.069 0.000 1.139 652 T CB -0.346 68.503 68.868 -0.033 0.000 0.867 652 T HN 0.626 nan 8.240 nan 0.000 0.454 653 R N 1.869 122.260 120.500 -0.181 0.000 2.073 653 R HA 0.027 4.354 4.340 -0.022 0.000 0.234 653 R C 2.665 178.814 176.300 -0.252 0.000 1.134 653 R CA 1.433 57.429 56.100 -0.173 0.000 0.952 653 R CB -0.733 29.489 30.300 -0.131 0.000 0.850 653 R HN 0.364 nan 8.270 nan 0.000 0.433 654 A N 0.329 122.876 122.820 -0.455 0.000 1.940 654 A HA -0.122 4.185 4.320 -0.022 0.000 0.219 654 A C 1.683 178.951 177.584 -0.528 0.000 1.176 654 A CA 1.236 52.900 52.037 -0.622 0.000 0.631 654 A CB -0.533 17.770 19.000 -1.162 0.000 0.814 654 A HN 0.444 nan 8.150 nan 0.000 0.446 655 F N 0.456 120.244 119.950 -0.270 0.000 2.789 655 F HA 0.049 4.562 4.527 -0.022 0.000 0.300 655 F C 2.533 178.250 175.800 -0.140 0.000 1.132 655 F CA 0.508 58.387 58.000 -0.202 0.000 1.404 655 F CB -0.380 38.502 39.000 -0.196 0.000 1.114 655 F HN 0.318 nan 8.300 nan 0.000 0.584 656 S N -0.635 115.061 115.700 -0.006 0.000 2.414 656 S HA -0.121 4.336 4.470 -0.022 0.000 0.227 656 S C 1.571 176.155 174.600 -0.027 0.000 1.022 656 S CA 0.581 58.763 58.200 -0.030 0.000 0.958 656 S CB -0.390 62.768 63.200 -0.070 0.000 0.797 656 S HN 0.470 nan 8.310 nan 0.000 0.493 657 Q N 0.498 120.275 119.800 -0.037 0.000 2.319 657 Q HA 0.395 4.722 4.340 -0.022 0.000 0.202 657 Q C 1.651 177.641 176.000 -0.017 0.000 0.896 657 Q CA 0.477 56.260 55.803 -0.033 0.000 0.942 657 Q CB 0.068 28.778 28.738 -0.047 0.000 1.083 657 Q HN 0.927 nan 8.270 nan 0.000 0.510 658 I N -4.517 116.055 120.570 0.003 0.000 4.471 658 I HA 0.282 4.439 4.170 -0.022 0.000 0.326 658 I C 0.061 176.190 176.117 0.019 0.000 1.300 658 I CA -0.446 60.864 61.300 0.016 0.000 1.237 658 I CB 0.577 38.596 38.000 0.032 0.000 1.195 658 I HN -0.250 nan 8.210 nan 0.000 0.427 659 K N 2.519 122.934 120.400 0.024 0.000 2.090 659 K HA 0.257 4.564 4.320 -0.022 0.000 0.249 659 K C -0.149 176.447 176.600 -0.005 0.000 0.995 659 K CA -0.204 56.087 56.287 0.007 0.000 0.914 659 K CB 0.947 33.447 32.500 0.001 0.000 1.057 659 K HN 0.238 nan 8.250 nan 0.000 0.462 660 D N -1.578 118.815 120.400 -0.012 0.000 2.431 660 D HA 0.219 4.846 4.640 -0.022 0.000 0.213 660 D C -0.128 176.166 176.300 -0.009 0.000 1.130 660 D CA -0.361 53.633 54.000 -0.011 0.000 0.834 660 D CB 0.400 41.192 40.800 -0.012 0.000 0.985 660 D HN 0.343 nan 8.370 nan 0.000 0.504 661 A N 0.055 122.867 122.820 -0.014 0.000 2.423 661 A HA 0.709 5.016 4.320 -0.022 0.000 0.304 661 A C -0.862 176.721 177.584 -0.002 0.000 1.104 661 A CA -0.977 51.055 52.037 -0.008 0.000 0.757 661 A CB 1.510 20.497 19.000 -0.021 0.000 1.313 661 A HN 0.122 nan 8.150 nan 0.000 0.423 662 M N 2.128 121.744 119.600 0.026 0.000 2.156 662 M HA 0.436 4.903 4.480 -0.022 0.000 0.345 662 M C -1.260 175.090 176.300 0.083 0.000 1.398 662 M CA 0.054 55.386 55.300 0.053 0.000 1.148 662 M CB 0.258 32.920 32.600 0.105 0.000 1.663 662 M HN 0.277 nan 8.290 nan 0.000 0.464 663 V N 7.434 127.376 119.914 0.047 0.000 2.276 663 V HA 0.327 4.434 4.120 -0.022 0.000 0.268 663 V C 0.000 176.192 176.094 0.163 0.000 1.032 663 V CA -0.759 61.579 62.300 0.063 0.000 0.810 663 V CB -0.565 31.164 31.823 -0.156 0.000 1.060 663 V HN 0.717 nan 8.190 nan 0.000 0.446 664 F N 2.278 122.326 119.950 0.163 0.000 2.514 664 F HA 0.560 5.075 4.527 -0.021 0.000 0.309 664 F C 0.919 176.890 175.800 0.285 0.000 1.279 664 F CA 0.984 59.130 58.000 0.243 0.000 1.304 664 F CB 0.694 39.893 39.000 0.331 0.000 1.223 664 F HN 0.536 nan 8.300 nan 0.000 0.563 665 A N 1.460 124.642 122.820 0.603 0.000 2.530 665 A HA 0.614 4.921 4.320 -0.022 0.000 0.297 665 A C -1.702 176.146 177.584 0.441 0.000 1.059 665 A CA -0.493 51.782 52.037 0.397 0.000 0.782 665 A CB 0.425 19.606 19.000 0.301 0.000 1.301 665 A HN 0.776 nan 8.150 nan 0.000 0.394 666 F N 0.602 120.704 119.950 0.253 0.000 2.741 666 F HA 0.741 5.254 4.527 -0.023 0.000 0.313 666 F C -0.805 175.109 175.800 0.189 0.000 1.153 666 F CA -1.046 57.056 58.000 0.169 0.000 0.931 666 F CB 1.204 40.308 39.000 0.173 0.000 1.335 666 F HN 0.582 nan 8.300 nan 0.000 0.460 667 N N 2.066 120.965 118.700 0.331 0.000 2.417 667 N HA 0.516 5.243 4.740 -0.022 0.000 0.300 667 N C -0.946 174.781 175.510 0.362 0.000 1.102 667 N CA -0.715 52.509 53.050 0.290 0.000 0.886 667 N CB 2.363 40.972 38.487 0.203 0.000 1.203 667 N HN 0.964 nan 8.380 nan 0.000 0.496 668 L N -1.246 120.163 121.223 0.310 0.000 2.456 668 L HA 0.425 4.752 4.340 -0.022 0.000 0.272 668 L C -2.199 174.791 176.870 0.199 0.000 1.189 668 L CA -1.630 53.378 54.840 0.280 0.000 0.846 668 L CB -0.754 41.456 42.059 0.251 0.000 1.111 668 L HN 0.304 nan 8.230 nan 0.000 0.475 669 P HA 0.109 nan 4.420 nan 0.000 0.270 669 P C 0.402 177.763 177.300 0.102 0.000 1.223 669 P CA -0.059 63.106 63.100 0.109 0.000 0.785 669 P CB 0.959 32.695 31.700 0.061 0.000 0.923 670 A N 2.391 125.271 122.820 0.099 0.000 1.849 670 A HA -0.163 4.144 4.320 -0.022 0.000 0.217 670 A C 0.944 178.517 177.584 -0.019 0.000 1.202 670 A CA 1.522 53.630 52.037 0.118 0.000 0.629 670 A CB -1.422 17.683 19.000 0.175 0.000 0.834 670 A HN 0.541 nan 8.150 nan 0.000 0.447 671 I N 0.523 120.961 120.570 -0.220 0.000 2.322 671 I HA 0.117 4.273 4.170 -0.022 0.000 0.292 671 I C 0.178 176.248 176.117 -0.078 0.000 1.060 671 I CA 0.105 61.246 61.300 -0.265 0.000 1.309 671 I CB 1.576 39.349 38.000 -0.378 0.000 1.415 671 I HN 0.021 nan 8.210 nan 0.000 0.492 672 V N 7.183 127.101 119.914 0.007 0.000 3.299 672 V HA 0.049 4.156 4.120 -0.022 0.000 0.369 672 V C 0.787 176.889 176.094 0.013 0.000 1.245 672 V CA 0.334 62.663 62.300 0.048 0.000 1.459 672 V CB -1.632 30.263 31.823 0.119 0.000 1.203 672 V HN 0.877 nan 8.190 nan 0.000 0.451 673 E N -0.738 119.445 120.200 -0.029 0.000 3.313 673 E HA 0.247 4.584 4.350 -0.022 0.000 0.164 673 E C -0.437 176.125 176.600 -0.063 0.000 0.947 673 E CA -0.271 56.106 56.400 -0.038 0.000 1.390 673 E CB 0.184 29.869 29.700 -0.026 0.000 1.058 673 E HN 0.453 nan 8.360 nan 0.000 0.436 674 L N 0.413 121.592 121.223 -0.073 0.000 2.365 674 L HA 0.708 5.035 4.340 -0.022 0.000 0.267 674 L C 0.789 177.624 176.870 -0.058 0.000 1.033 674 L CA -0.794 53.987 54.840 -0.099 0.000 0.802 674 L CB 1.431 43.429 42.059 -0.101 0.000 1.267 674 L HN 0.190 nan 8.230 nan 0.000 0.457 675 G N -1.468 107.309 108.800 -0.038 0.000 2.491 675 G HA2 0.374 4.321 3.960 -0.022 0.000 0.327 675 G HA3 0.374 4.321 3.960 -0.022 0.000 0.327 675 G C 0.458 175.425 174.900 0.112 0.000 1.189 675 G CA -0.013 45.112 45.100 0.041 0.000 0.956 675 G HN 0.636 nan 8.290 nan 0.000 0.491 676 T N -2.304 112.295 114.554 0.075 0.000 3.317 676 T HA 0.376 4.713 4.350 -0.022 0.000 0.250 676 T C 1.808 176.559 174.700 0.085 0.000 1.106 676 T CA 1.088 63.219 62.100 0.053 0.000 0.986 676 T CB -0.293 68.560 68.868 -0.025 0.000 1.010 676 T HN 2.037 nan 8.240 nan 0.000 0.560 677 A N 1.059 124.000 122.820 0.202 0.000 1.265 677 A HA -0.329 3.978 4.320 -0.022 0.000 0.291 677 A C 1.729 179.307 177.584 -0.010 0.000 1.196 677 A CA 2.184 54.245 52.037 0.040 0.000 1.094 677 A CB -2.330 16.568 19.000 -0.170 0.000 1.471 677 A HN 0.777 nan 8.150 nan 0.000 0.723 678 T N 0.769 115.306 114.554 -0.029 0.000 3.324 678 T HA 0.460 4.797 4.350 -0.022 0.000 0.250 678 T C 0.464 175.164 174.700 -0.000 0.000 1.059 678 T CA 1.525 63.612 62.100 -0.021 0.000 0.951 678 T CB -1.310 67.534 68.868 -0.039 0.000 1.030 678 T HN 1.718 nan 8.240 nan 0.000 0.576 679 G N 0.928 109.732 108.800 0.007 0.000 2.533 679 G HA2 0.626 4.573 3.960 -0.022 0.000 0.304 679 G HA3 0.626 4.573 3.960 -0.022 0.000 0.304 679 G C -1.174 173.745 174.900 0.031 0.000 1.263 679 G CA -1.036 44.023 45.100 -0.068 0.000 0.964 679 G HN 0.337 nan 8.290 nan 0.000 0.479 680 F N -0.770 119.215 119.950 0.058 0.000 2.631 680 F HA 0.808 5.322 4.527 -0.023 0.000 0.328 680 F C -1.162 174.759 175.800 0.203 0.000 1.067 680 F CA -1.971 56.096 58.000 0.110 0.000 0.969 680 F CB 2.325 41.379 39.000 0.090 0.000 1.332 680 F HN 0.296 nan 8.300 nan 0.000 0.490 681 D N 1.631 122.417 120.400 0.643 0.000 2.420 681 D HA 0.240 4.867 4.640 -0.022 0.000 0.255 681 D C -1.798 174.851 176.300 0.581 0.000 1.185 681 D CA -0.120 54.150 54.000 0.450 0.000 0.904 681 D CB 0.754 41.689 40.800 0.224 0.000 1.102 681 D HN 0.487 nan 8.370 nan 0.000 0.534 682 F N 2.029 122.192 119.950 0.356 0.000 2.397 682 F HA 0.511 5.025 4.527 -0.021 0.000 0.331 682 F C -0.174 175.517 175.800 -0.180 0.000 1.090 682 F CA -0.627 57.349 58.000 -0.040 0.000 1.065 682 F CB 1.454 40.413 39.000 -0.068 0.000 1.184 682 F HN 0.078 nan 8.300 nan 0.000 0.499 683 E N 4.717 124.262 120.200 -1.091 0.000 2.244 683 E HA 0.393 4.729 4.350 -0.022 0.000 0.260 683 E C -1.977 174.090 176.600 -0.889 0.000 0.884 683 E CA -0.622 55.289 56.400 -0.816 0.000 0.777 683 E CB 1.384 30.522 29.700 -0.936 0.000 1.197 683 E HN 0.641 nan 8.360 nan 0.000 0.416 684 L N 5.468 126.439 121.223 -0.419 0.000 2.292 684 L HA 0.597 4.924 4.340 -0.022 0.000 0.284 684 L C -1.150 175.661 176.870 -0.099 0.000 1.065 684 L CA -0.107 54.631 54.840 -0.169 0.000 0.806 684 L CB 0.724 42.825 42.059 0.071 0.000 1.175 684 L HN 0.617 nan 8.230 nan 0.000 0.431 685 I N 3.157 123.692 120.570 -0.058 0.000 2.608 685 I HA 0.301 4.457 4.170 -0.022 0.000 0.295 685 I C -1.058 175.059 176.117 0.001 0.000 1.049 685 I CA -0.771 60.514 61.300 -0.023 0.000 1.063 685 I CB 2.079 40.061 38.000 -0.031 0.000 1.248 685 I HN 0.499 nan 8.210 nan 0.000 0.424 686 D N 4.029 124.436 120.400 0.011 0.000 2.428 686 D HA 0.196 4.822 4.640 -0.022 0.000 0.221 686 D C 0.290 176.596 176.300 0.010 0.000 1.123 686 D CA -0.010 53.998 54.000 0.014 0.000 0.869 686 D CB 1.333 42.146 40.800 0.022 0.000 1.032 686 D HN 0.406 nan 8.370 nan 0.000 0.506 687 Q N 2.310 122.113 119.800 0.005 0.000 2.391 687 Q HA 0.357 4.683 4.340 -0.022 0.000 0.211 687 Q C 0.449 176.450 176.000 0.003 0.000 0.908 687 Q CA 0.188 55.990 55.803 -0.001 0.000 0.920 687 Q CB 0.622 29.355 28.738 -0.008 0.000 1.056 687 Q HN 0.583 nan 8.270 nan 0.000 0.523 688 A N -1.348 121.476 122.820 0.007 0.000 2.951 688 A HA 0.619 4.925 4.320 -0.022 0.000 0.239 688 A C 1.310 178.900 177.584 0.011 0.000 1.623 688 A CA 0.083 52.125 52.037 0.008 0.000 0.868 688 A CB -0.675 18.331 19.000 0.009 0.000 1.712 688 A HN 0.306 nan 8.150 nan 0.000 0.558 689 G N -0.635 108.172 108.800 0.012 0.000 2.394 689 G HA2 0.160 4.107 3.960 -0.022 0.000 0.215 689 G HA3 0.160 4.107 3.960 -0.022 0.000 0.215 689 G C 0.699 175.610 174.900 0.019 0.000 1.165 689 G CA 0.597 45.706 45.100 0.015 0.000 0.784 689 G HN 0.915 nan 8.290 nan 0.000 0.535 690 L N 1.217 122.450 121.223 0.017 0.000 2.837 690 L HA 0.207 4.533 4.340 -0.022 0.000 0.300 690 L C 1.213 178.099 176.870 0.026 0.000 1.211 690 L CA -0.082 54.769 54.840 0.018 0.000 0.890 690 L CB -0.897 41.169 42.059 0.012 0.000 1.200 690 L HN 0.082 nan 8.230 nan 0.000 0.492 691 G N 0.479 109.300 108.800 0.035 0.000 2.516 691 G HA2 0.099 4.046 3.960 -0.022 0.000 0.276 691 G HA3 0.099 4.046 3.960 -0.022 0.000 0.276 691 G C 0.639 175.585 174.900 0.077 0.000 1.390 691 G CA 0.298 45.435 45.100 0.062 0.000 1.050 691 G HN 0.960 nan 8.290 nan 0.000 0.519 692 H N -1.014 118.067 119.070 0.018 0.000 2.319 692 H HA -0.149 4.393 4.556 -0.022 0.000 0.299 692 H C 2.247 177.585 175.328 0.017 0.000 1.092 692 H CA 2.580 58.641 56.048 0.020 0.000 1.302 692 H CB 0.009 29.785 29.762 0.025 0.000 1.373 692 H HN 0.637 nan 8.280 nan 0.000 0.497 693 E N -0.102 120.087 120.200 -0.017 0.000 2.047 693 E HA -0.207 4.130 4.350 -0.022 0.000 0.191 693 E C 2.111 178.655 176.600 -0.094 0.000 0.987 693 E CA 1.145 57.498 56.400 -0.078 0.000 0.799 693 E CB -0.027 29.692 29.700 0.031 0.000 0.752 693 E HN 0.281 nan 8.360 nan 0.000 0.449 694 K N 0.444 120.817 120.400 -0.044 0.000 2.209 694 K HA -0.053 4.253 4.320 -0.022 0.000 0.204 694 K C 2.013 178.583 176.600 -0.050 0.000 1.048 694 K CA 0.666 56.933 56.287 -0.033 0.000 0.940 694 K CB -0.181 32.314 32.500 -0.008 0.000 0.729 694 K HN 0.187 nan 8.250 nan 0.000 0.451 695 L N -0.103 121.076 121.223 -0.074 0.000 2.044 695 L HA -0.187 4.140 4.340 -0.022 0.000 0.205 695 L C 1.752 178.556 176.870 -0.109 0.000 1.075 695 L CA 1.608 56.403 54.840 -0.075 0.000 0.747 695 L CB -0.463 41.553 42.059 -0.072 0.000 0.903 695 L HN 0.282 nan 8.230 nan 0.000 0.435 696 T N -0.911 113.521 114.554 -0.204 0.000 2.684 696 T HA -0.310 4.027 4.350 -0.022 0.000 0.267 696 T C 1.658 176.298 174.700 -0.100 0.000 1.036 696 T CA 1.670 63.658 62.100 -0.187 0.000 1.148 696 T CB -0.179 68.525 68.868 -0.273 0.000 0.863 696 T HN 0.264 nan 8.240 nan 0.000 0.436 697 Q N 0.893 120.642 119.800 -0.086 0.000 2.029 697 Q HA -0.152 4.174 4.340 -0.022 0.000 0.209 697 Q C 2.425 178.402 176.000 -0.037 0.000 0.999 697 Q CA 2.158 57.929 55.803 -0.052 0.000 0.857 697 Q CB -0.626 28.088 28.738 -0.040 0.000 0.926 697 Q HN 0.563 nan 8.270 nan 0.000 0.415 698 A N 0.290 123.091 122.820 -0.032 0.000 1.930 698 A HA -0.210 4.097 4.320 -0.022 0.000 0.217 698 A C 2.045 179.623 177.584 -0.010 0.000 1.175 698 A CA 1.654 53.682 52.037 -0.014 0.000 0.627 698 A CB -0.681 18.317 19.000 -0.003 0.000 0.815 698 A HN 0.437 nan 8.150 nan 0.000 0.443 699 R N -0.030 120.461 120.500 -0.014 0.000 2.073 699 R HA -0.180 4.147 4.340 -0.022 0.000 0.234 699 R C 1.554 177.846 176.300 -0.014 0.000 1.134 699 R CA 1.938 58.036 56.100 -0.003 0.000 0.952 699 R CB -0.428 29.868 30.300 -0.006 0.000 0.850 699 R HN 0.479 nan 8.270 nan 0.000 0.433 700 N N 0.881 119.567 118.700 -0.024 0.000 2.223 700 N HA -0.223 4.504 4.740 -0.022 0.000 0.185 700 N C 1.647 177.145 175.510 -0.021 0.000 1.016 700 N CA 1.382 54.418 53.050 -0.024 0.000 0.863 700 N CB -0.337 38.132 38.487 -0.030 0.000 0.983 700 N HN 0.456 nan 8.380 nan 0.000 0.429 701 Q N 0.091 119.879 119.800 -0.021 0.000 2.084 701 Q HA -0.076 4.251 4.340 -0.022 0.000 0.202 701 Q C 1.962 177.948 176.000 -0.024 0.000 0.978 701 Q CA 1.023 56.815 55.803 -0.019 0.000 0.844 701 Q CB -0.107 28.622 28.738 -0.015 0.000 0.898 701 Q HN 0.267 nan 8.270 nan 0.000 0.426 702 L N 0.134 121.337 121.223 -0.032 0.000 2.044 702 L HA -0.109 4.218 4.340 -0.022 0.000 0.205 702 L C 2.025 178.861 176.870 -0.056 0.000 1.075 702 L CA 1.411 56.214 54.840 -0.062 0.000 0.747 702 L CB -0.370 41.635 42.059 -0.090 0.000 0.903 702 L HN 0.313 nan 8.230 nan 0.000 0.435 703 L N -0.572 120.629 121.223 -0.036 0.000 2.013 703 L HA -0.261 4.066 4.340 -0.022 0.000 0.212 703 L C 2.689 179.552 176.870 -0.011 0.000 1.073 703 L CA 1.462 56.289 54.840 -0.021 0.000 0.753 703 L CB -0.985 41.067 42.059 -0.011 0.000 0.890 703 L HN 0.405 nan 8.230 nan 0.000 0.432 704 A N -0.699 122.113 122.820 -0.012 0.000 1.902 704 A HA -0.197 4.110 4.320 -0.022 0.000 0.217 704 A C 2.205 179.788 177.584 -0.002 0.000 1.181 704 A CA 1.469 53.500 52.037 -0.010 0.000 0.623 704 A CB -0.387 18.605 19.000 -0.014 0.000 0.818 704 A HN 0.362 nan 8.150 nan 0.000 0.443 705 E N -0.167 120.035 120.200 0.004 0.000 2.153 705 E HA -0.124 4.213 4.350 -0.022 0.000 0.194 705 E C 2.292 178.956 176.600 0.106 0.000 0.988 705 E CA 1.125 57.548 56.400 0.038 0.000 0.811 705 E CB -0.419 29.295 29.700 0.023 0.000 0.746 705 E HN 0.584 nan 8.360 nan 0.000 0.466 706 A N 1.165 124.017 122.820 0.054 0.000 1.969 706 A HA -0.022 4.285 4.320 -0.022 0.000 0.218 706 A C 2.328 179.965 177.584 0.088 0.000 1.169 706 A CA 1.588 53.669 52.037 0.073 0.000 0.635 706 A CB -0.310 18.699 19.000 0.015 0.000 0.810 706 A HN 0.240 nan 8.150 nan 0.000 0.445 707 A N -0.718 122.126 122.820 0.040 0.000 2.119 707 A HA -0.007 4.299 4.320 -0.022 0.000 0.217 707 A C 1.929 179.503 177.584 -0.016 0.000 1.153 707 A CA 1.701 53.748 52.037 0.016 0.000 0.692 707 A CB -0.286 18.714 19.000 -0.001 0.000 0.799 707 A HN 0.409 nan 8.150 nan 0.000 0.458 708 K N -0.120 120.254 120.400 -0.043 0.000 2.362 708 K HA -0.045 4.261 4.320 -0.022 0.000 0.200 708 K C -0.011 176.358 176.600 -0.385 0.000 1.046 708 K CA 0.823 56.986 56.287 -0.206 0.000 0.952 708 K CB -0.055 32.287 32.500 -0.262 0.000 0.753 708 K HN 0.640 nan 8.250 nan 0.000 0.466 709 H N -0.512 118.550 119.070 -0.014 0.000 2.317 709 H HA 0.153 4.696 4.556 -0.022 0.000 0.231 709 H C -2.133 173.194 175.328 -0.002 0.000 1.442 709 H CA -1.683 54.360 56.048 -0.010 0.000 1.336 709 H CB 1.037 30.791 29.762 -0.013 0.000 1.533 709 H HN 0.105 nan 8.280 nan 0.000 0.522 710 P HA -0.105 nan 4.420 nan 0.000 0.229 710 P C 1.127 178.455 177.300 0.045 0.000 1.160 710 P CA 0.773 63.899 63.100 0.043 0.000 0.777 710 P CB 0.374 32.082 31.700 0.013 0.000 0.814 711 D N -1.346 119.086 120.400 0.054 0.000 2.312 711 D HA -0.097 4.530 4.640 -0.022 0.000 0.211 711 D C 1.595 177.926 176.300 0.051 0.000 0.964 711 D CA 0.773 54.800 54.000 0.045 0.000 0.877 711 D CB -0.245 40.581 40.800 0.044 0.000 0.924 711 D HN 0.143 nan 8.370 nan 0.000 0.515 712 M N -0.533 119.110 119.600 0.072 0.000 2.777 712 M HA 0.314 4.780 4.480 -0.022 0.000 0.244 712 M C -0.602 175.739 176.300 0.068 0.000 1.457 712 M CA 0.506 55.839 55.300 0.054 0.000 1.174 712 M CB 0.654 33.272 32.600 0.030 0.000 1.321 712 M HN -0.138 nan 8.290 nan 0.000 0.546 713 L N 0.095 121.370 121.223 0.088 0.000 2.356 713 L HA 0.599 4.926 4.340 -0.022 0.000 0.277 713 L C -0.309 176.603 176.870 0.071 0.000 0.996 713 L CA -0.515 54.392 54.840 0.112 0.000 0.822 713 L CB 1.783 43.927 42.059 0.142 0.000 1.256 713 L HN -0.052 nan 8.230 nan 0.000 0.413 714 T N 0.337 114.916 114.554 0.041 0.000 2.885 714 T HA 0.440 4.777 4.350 -0.022 0.000 0.285 714 T C 0.350 175.038 174.700 -0.019 0.000 1.019 714 T CA 0.121 62.228 62.100 0.012 0.000 1.010 714 T CB 1.113 69.984 68.868 0.005 0.000 1.022 714 T HN 0.891 nan 8.240 nan 0.000 0.466 715 S N 1.398 117.092 115.700 -0.010 0.000 3.477 715 S HA -0.154 4.303 4.470 -0.022 0.000 0.371 715 S C 0.078 174.648 174.600 -0.049 0.000 0.965 715 S CA 0.430 58.620 58.200 -0.017 0.000 1.239 715 S CB -2.718 60.478 63.200 -0.007 0.000 0.918 715 S HN 1.373 nan 8.310 nan 0.000 0.498 716 V N 2.023 121.922 119.914 -0.024 0.000 2.455 716 V HA 0.752 4.859 4.120 -0.022 0.000 0.273 716 V C 0.168 176.258 176.094 -0.007 0.000 1.045 716 V CA 0.002 62.291 62.300 -0.019 0.000 0.976 716 V CB 0.511 32.361 31.823 0.044 0.000 0.993 716 V HN 0.928 nan 8.190 nan 0.000 0.475 717 R N 6.262 126.755 120.500 -0.013 0.000 2.680 717 R HA 0.686 5.013 4.340 -0.022 0.000 0.269 717 R C -3.108 173.199 176.300 0.012 0.000 1.026 717 R CA -1.842 54.258 56.100 0.000 0.000 0.889 717 R CB 1.085 31.384 30.300 -0.003 0.000 1.241 717 R HN 0.405 nan 8.270 nan 0.000 0.463 718 P HA 0.122 nan 4.420 nan 0.000 0.279 718 P C -0.654 176.656 177.300 0.017 0.000 1.239 718 P CA -0.328 62.789 63.100 0.029 0.000 0.789 718 P CB 1.149 32.866 31.700 0.028 0.000 0.933 719 N N 1.553 120.263 118.700 0.017 0.000 2.446 719 N HA 0.003 4.730 4.740 -0.022 0.000 0.179 719 N C 1.198 176.719 175.510 0.018 0.000 1.054 719 N CA 0.508 53.561 53.050 0.005 0.000 0.905 719 N CB -0.270 38.215 38.487 -0.003 0.000 0.973 719 N HN 0.526 nan 8.380 nan 0.000 0.448 720 G N -0.289 108.529 108.800 0.031 0.000 2.485 720 G HA2 0.423 4.370 3.960 -0.022 0.000 0.260 720 G HA3 0.423 4.370 3.960 -0.022 0.000 0.260 720 G C -0.860 174.068 174.900 0.047 0.000 1.459 720 G CA -0.250 44.876 45.100 0.044 0.000 1.060 720 G HN 0.127 nan 8.290 nan 0.000 0.546 721 L N -0.704 120.556 121.223 0.062 0.000 2.362 721 L HA 0.499 4.825 4.340 -0.022 0.000 0.271 721 L C -0.112 176.807 176.870 0.081 0.000 1.002 721 L CA -0.898 53.980 54.840 0.065 0.000 0.818 721 L CB 1.829 43.927 42.059 0.064 0.000 1.298 721 L HN 0.357 nan 8.230 nan 0.000 0.420 722 E N 1.106 121.350 120.200 0.073 0.000 2.390 722 E HA 0.145 4.482 4.350 -0.022 0.000 0.261 722 E C -0.886 175.781 176.600 0.112 0.000 1.076 722 E CA -0.271 56.175 56.400 0.076 0.000 0.905 722 E CB 0.356 30.087 29.700 0.052 0.000 0.984 722 E HN 0.307 nan 8.360 nan 0.000 0.427 723 D N 1.063 121.538 120.400 0.125 0.000 2.458 723 D HA 0.081 4.708 4.640 -0.022 0.000 0.243 723 D C -0.113 176.371 176.300 0.307 0.000 1.146 723 D CA 0.300 54.418 54.000 0.196 0.000 0.877 723 D CB 0.404 41.316 40.800 0.185 0.000 1.176 723 D HN 0.347 nan 8.370 nan 0.000 0.461 724 T N -0.721 114.027 114.554 0.324 0.000 2.945 724 T HA 0.634 4.971 4.350 -0.022 0.000 0.286 724 T C -2.693 172.139 174.700 0.219 0.000 1.025 724 T CA -2.350 59.935 62.100 0.309 0.000 1.039 724 T CB 1.788 70.757 68.868 0.169 0.000 1.068 724 T HN -0.061 nan 8.240 nan 0.000 0.497 725 P HA 0.265 nan 4.420 nan 0.000 0.272 725 P C -0.792 176.632 177.300 0.207 0.000 1.223 725 P CA -0.287 62.698 63.100 -0.192 0.000 0.784 725 P CB 0.285 31.820 31.700 -0.275 0.000 0.923 726 Q N 0.598 120.569 119.800 0.285 0.000 2.462 726 Q HA 0.574 4.901 4.340 -0.022 0.000 0.285 726 Q C -1.726 174.206 176.000 -0.114 0.000 1.035 726 Q CA -0.826 55.067 55.803 0.150 0.000 0.799 726 Q CB 1.346 30.109 28.738 0.041 0.000 1.452 726 Q HN 0.238 nan 8.270 nan 0.000 0.404 727 F N 1.889 121.455 119.950 -0.639 0.000 2.332 727 F HA 0.493 5.007 4.527 -0.022 0.000 0.368 727 F C -0.747 174.703 175.800 -0.583 0.000 1.110 727 F CA -0.633 56.737 58.000 -1.050 0.000 1.087 727 F CB 1.230 39.400 39.000 -1.382 0.000 1.235 727 F HN 0.561 nan 8.300 nan 0.000 0.470 728 K N 7.084 126.945 120.400 -0.899 0.000 2.240 728 K HA 0.551 4.858 4.320 -0.022 0.000 0.271 728 K C -1.353 174.812 176.600 -0.726 0.000 1.018 728 K CA -0.223 55.699 56.287 -0.609 0.000 0.874 728 K CB 0.624 32.908 32.500 -0.359 0.000 1.098 728 K HN 0.686 nan 8.250 nan 0.000 0.458 729 I N 3.633 123.899 120.570 -0.508 0.000 2.339 729 I HA 0.207 4.364 4.170 -0.022 0.000 0.290 729 I C -0.674 175.331 176.117 -0.187 0.000 0.994 729 I CA -0.730 60.351 61.300 -0.365 0.000 1.191 729 I CB 1.657 39.504 38.000 -0.254 0.000 1.343 729 I HN 0.632 nan 8.210 nan 0.000 0.458 730 D N 7.051 127.364 120.400 -0.145 0.000 2.412 730 D HA 0.314 4.941 4.640 -0.022 0.000 0.224 730 D C -0.206 176.090 176.300 -0.006 0.000 1.093 730 D CA -0.362 53.594 54.000 -0.073 0.000 0.850 730 D CB 0.940 41.692 40.800 -0.080 0.000 1.046 730 D HN 0.202 nan 8.370 nan 0.000 0.507 731 I N 2.202 122.792 120.570 0.033 0.000 2.505 731 I HA 0.055 4.211 4.170 -0.022 0.000 0.287 731 I C 0.619 176.770 176.117 0.057 0.000 1.104 731 I CA -0.120 61.236 61.300 0.094 0.000 1.387 731 I CB 0.152 38.202 38.000 0.082 0.000 1.404 731 I HN 0.357 nan 8.210 nan 0.000 0.528 732 D N 6.917 127.364 120.400 0.078 0.000 2.344 732 D HA 0.029 4.656 4.640 -0.022 0.000 0.253 732 D C 1.117 177.440 176.300 0.040 0.000 1.255 732 D CA -0.092 53.937 54.000 0.048 0.000 0.894 732 D CB 1.061 41.890 40.800 0.048 0.000 1.067 732 D HN 0.356 nan 8.370 nan 0.000 0.492 733 Q N 2.849 122.657 119.800 0.012 0.000 2.119 733 Q HA -0.166 4.160 4.340 -0.022 0.000 0.201 733 Q C 1.472 177.468 176.000 -0.007 0.000 0.972 733 Q CA 0.960 56.759 55.803 -0.007 0.000 0.847 733 Q CB 0.086 28.817 28.738 -0.012 0.000 0.903 733 Q HN 0.699 nan 8.270 nan 0.000 0.433 734 E N 0.882 121.084 120.200 0.004 0.000 2.072 734 E HA -0.151 4.186 4.350 -0.022 0.000 0.191 734 E C 1.814 178.421 176.600 0.012 0.000 0.985 734 E CA 0.839 57.241 56.400 0.004 0.000 0.801 734 E CB 0.230 29.934 29.700 0.006 0.000 0.750 734 E HN 0.200 nan 8.360 nan 0.000 0.452 735 K N -0.101 120.316 120.400 0.028 0.000 2.057 735 K HA -0.076 4.231 4.320 -0.022 0.000 0.206 735 K C 2.119 178.750 176.600 0.052 0.000 1.050 735 K CA 0.881 57.198 56.287 0.049 0.000 0.935 735 K CB -0.066 32.479 32.500 0.075 0.000 0.715 735 K HN 0.080 nan 8.250 nan 0.000 0.439 736 A N 1.431 124.269 122.820 0.030 0.000 1.902 736 A HA -0.230 4.077 4.320 -0.022 0.000 0.217 736 A C 2.032 179.571 177.584 -0.075 0.000 1.181 736 A CA 1.360 53.358 52.037 -0.065 0.000 0.623 736 A CB -0.477 18.426 19.000 -0.161 0.000 0.818 736 A HN 0.301 nan 8.150 nan 0.000 0.443 737 Q N -0.876 118.895 119.800 -0.048 0.000 2.135 737 Q HA -0.137 4.189 4.340 -0.022 0.000 0.204 737 Q C 2.379 178.365 176.000 -0.024 0.000 0.981 737 Q CA 1.371 57.150 55.803 -0.039 0.000 0.856 737 Q CB -0.326 28.396 28.738 -0.026 0.000 0.902 737 Q HN 0.713 nan 8.270 nan 0.000 0.425 738 A N 0.474 123.289 122.820 -0.008 0.000 1.897 738 A HA -0.084 4.223 4.320 -0.022 0.000 0.215 738 A C 1.938 179.526 177.584 0.006 0.000 1.181 738 A CA 0.824 52.862 52.037 0.003 0.000 0.620 738 A CB -0.416 18.591 19.000 0.012 0.000 0.821 738 A HN 0.283 nan 8.150 nan 0.000 0.443 739 L N -1.356 119.875 121.223 0.012 0.000 2.395 739 L HA 0.153 4.480 4.340 -0.022 0.000 0.218 739 L C 1.707 178.577 176.870 -0.000 0.000 1.130 739 L CA 0.675 55.529 54.840 0.022 0.000 0.826 739 L CB -0.339 41.755 42.059 0.059 0.000 0.941 739 L HN 0.585 nan 8.230 nan 0.000 0.451 740 G N 0.364 109.148 108.800 -0.027 0.000 2.144 740 G HA2 -0.222 3.724 3.960 -0.022 0.000 0.218 740 G HA3 -0.222 3.724 3.960 -0.022 0.000 0.218 740 G C 0.247 175.107 174.900 -0.067 0.000 0.988 740 G CA -0.020 45.058 45.100 -0.037 0.000 0.659 740 G HN 0.190 nan 8.290 nan 0.000 0.522 741 V N -1.026 118.815 119.914 -0.122 0.000 2.607 741 V HA 0.807 4.913 4.120 -0.022 0.000 0.289 741 V C 0.958 176.932 176.094 -0.200 0.000 1.053 741 V CA -0.157 62.024 62.300 -0.199 0.000 0.996 741 V CB 1.595 33.179 31.823 -0.399 0.000 0.995 741 V HN 0.823 nan 8.190 nan 0.000 0.476 742 S N 2.394 117.996 115.700 -0.164 0.000 2.528 742 S HA 0.347 4.803 4.470 -0.022 0.000 0.277 742 S C 0.962 175.460 174.600 -0.171 0.000 1.297 742 S CA -0.560 57.561 58.200 -0.131 0.000 1.052 742 S CB 0.225 63.376 63.200 -0.082 0.000 0.917 742 S HN 0.617 nan 8.310 nan 0.000 0.492 743 I N 5.043 125.531 120.570 -0.136 0.000 2.361 743 I HA -0.129 4.028 4.170 -0.022 0.000 0.251 743 I C 1.856 177.917 176.117 -0.094 0.000 1.133 743 I CA 1.331 62.553 61.300 -0.129 0.000 1.413 743 I CB -0.571 37.380 38.000 -0.082 0.000 1.073 743 I HN 0.565 nan 8.210 nan 0.000 0.424 744 N N 0.279 118.940 118.700 -0.064 0.000 2.290 744 N HA -0.115 4.612 4.740 -0.022 0.000 0.179 744 N C 1.484 176.979 175.510 -0.026 0.000 1.016 744 N CA 0.842 53.873 53.050 -0.031 0.000 0.871 744 N CB -0.224 38.253 38.487 -0.017 0.000 0.987 744 N HN 0.248 nan 8.380 nan 0.000 0.431 745 D N 0.763 121.134 120.400 -0.048 0.000 2.123 745 D HA -0.103 4.524 4.640 -0.022 0.000 0.196 745 D C 1.874 178.151 176.300 -0.038 0.000 0.992 745 D CA 0.781 54.760 54.000 -0.034 0.000 0.833 745 D CB -0.162 40.606 40.800 -0.053 0.000 0.954 745 D HN 0.274 nan 8.370 nan 0.000 0.455 746 I N 1.091 121.578 120.570 -0.137 0.000 2.127 746 I HA -0.277 3.880 4.170 -0.022 0.000 0.241 746 I C 2.152 178.296 176.117 0.045 0.000 1.075 746 I CA 0.881 62.079 61.300 -0.170 0.000 1.334 746 I CB -0.227 37.540 38.000 -0.388 0.000 1.040 746 I HN -0.045 nan 8.210 nan 0.000 0.405 747 N N 0.230 118.946 118.700 0.028 0.000 2.120 747 N HA -0.162 4.564 4.740 -0.022 0.000 0.188 747 N C 1.990 177.557 175.510 0.095 0.000 1.024 747 N CA 2.133 55.227 53.050 0.072 0.000 0.852 747 N CB -0.502 38.009 38.487 0.039 0.000 1.003 747 N HN 0.473 nan 8.380 nan 0.000 0.424 748 T N -1.525 113.077 114.554 0.080 0.000 3.043 748 T HA -0.026 4.311 4.350 -0.022 0.000 0.263 748 T C 1.854 176.616 174.700 0.104 0.000 1.094 748 T CA 1.496 63.647 62.100 0.085 0.000 1.127 748 T CB -0.445 68.462 68.868 0.066 0.000 0.905 748 T HN 0.251 nan 8.240 nan 0.000 0.490 749 T N 1.028 115.669 114.554 0.144 0.000 2.857 749 T HA 0.056 4.393 4.350 -0.022 0.000 0.266 749 T C 1.791 176.588 174.700 0.162 0.000 1.048 749 T CA 0.971 63.183 62.100 0.187 0.000 1.139 749 T CB -0.604 68.446 68.868 0.303 0.000 0.874 749 T HN 0.280 nan 8.240 nan 0.000 0.455 750 L N 2.158 123.539 121.223 0.265 0.000 2.027 750 L HA 0.298 4.624 4.340 -0.022 0.000 0.206 750 L C 2.585 179.522 176.870 0.113 0.000 1.074 750 L CA 1.958 56.895 54.840 0.162 0.000 0.745 750 L CB -1.278 40.892 42.059 0.185 0.000 0.898 750 L HN 0.315 nan 8.230 nan 0.000 0.433 751 G N -0.782 108.078 108.800 0.101 0.000 2.484 751 G HA2 -0.284 3.663 3.960 -0.022 0.000 0.215 751 G HA3 -0.284 3.663 3.960 -0.022 0.000 0.215 751 G C 1.621 176.577 174.900 0.093 0.000 1.219 751 G CA 1.118 46.276 45.100 0.097 0.000 0.791 751 G HN 0.639 nan 8.290 nan 0.000 0.550 752 A N 1.139 123.999 122.820 0.068 0.000 1.892 752 A HA 0.084 4.391 4.320 -0.022 0.000 0.218 752 A C 2.835 180.409 177.584 -0.017 0.000 1.188 752 A CA 2.921 54.987 52.037 0.048 0.000 0.631 752 A CB -0.980 18.047 19.000 0.045 0.000 0.822 752 A HN 0.949 nan 8.150 nan 0.000 0.447 753 A N -1.773 120.950 122.820 -0.161 0.000 1.855 753 A HA -0.092 4.215 4.320 -0.022 0.000 0.215 753 A C 1.926 179.330 177.584 -0.300 0.000 1.191 753 A CA 1.491 53.262 52.037 -0.442 0.000 0.613 753 A CB -0.822 17.399 19.000 -1.299 0.000 0.829 753 A HN 0.736 nan 8.150 nan 0.000 0.442 754 W N -1.091 120.070 121.300 -0.232 0.000 2.737 754 W HA 0.301 4.948 4.660 -0.022 0.000 0.262 754 W C 2.256 178.758 176.519 -0.029 0.000 1.282 754 W CA 0.657 57.932 57.345 -0.117 0.000 1.386 754 W CB -0.081 29.291 29.460 -0.147 0.000 1.099 754 W HN 0.379 nan 8.180 nan 0.000 0.621 755 G N -0.935 107.978 108.800 0.189 0.000 2.747 755 G HA2 0.446 4.393 3.960 -0.022 0.000 0.202 755 G HA3 0.446 4.393 3.960 -0.022 0.000 0.202 755 G C 0.608 175.593 174.900 0.141 0.000 1.090 755 G CA 0.413 45.605 45.100 0.154 0.000 0.779 755 G HN 0.366 nan 8.290 nan 0.000 0.535 756 G N -1.238 107.641 108.800 0.131 0.000 2.663 756 G HA2 0.309 4.255 3.960 -0.022 0.000 0.686 756 G HA3 0.309 4.255 3.960 -0.022 0.000 0.686 756 G C -0.663 174.366 174.900 0.215 0.000 1.246 756 G CA 0.047 45.240 45.100 0.155 0.000 0.795 756 G HN 1.056 nan 8.290 nan 0.000 0.627 757 S N -0.476 115.387 115.700 0.271 0.000 2.689 757 S HA 0.490 4.946 4.470 -0.022 0.000 0.274 757 S C -0.909 173.825 174.600 0.224 0.000 1.176 757 S CA -0.514 57.825 58.200 0.232 0.000 1.014 757 S CB 0.860 64.138 63.200 0.130 0.000 1.071 757 S HN 1.632 nan 8.310 nan 0.000 0.478 758 Y N 6.592 126.879 120.300 -0.021 0.000 2.624 758 Y HA 0.339 4.875 4.550 -0.023 0.000 0.354 758 Y C 0.699 176.472 175.900 -0.211 0.000 1.051 758 Y CA -0.150 57.715 58.100 -0.391 0.000 1.377 758 Y CB -0.211 38.015 38.460 -0.390 0.000 1.168 758 Y HN 0.428 nan 8.280 nan 0.000 0.525 759 V N 5.342 125.156 119.914 -0.166 0.000 2.341 759 V HA 0.016 4.123 4.120 -0.022 0.000 0.240 759 V C 0.711 176.605 176.094 -0.334 0.000 1.035 759 V CA 1.140 63.321 62.300 -0.197 0.000 1.033 759 V CB -0.492 31.302 31.823 -0.050 0.000 0.678 759 V HN 0.750 nan 8.190 nan 0.000 0.464 760 N N -1.359 117.234 118.700 -0.178 0.000 2.934 760 N HA 0.307 5.034 4.740 -0.022 0.000 0.253 760 N C -1.882 173.752 175.510 0.206 0.000 1.466 760 N CA -0.770 52.256 53.050 -0.040 0.000 0.858 760 N CB 2.262 40.795 38.487 0.077 0.000 1.459 760 N HN 0.114 nan 8.380 nan 0.000 0.532 761 D N 0.718 121.241 120.400 0.205 0.000 2.198 761 D HA 0.475 5.101 4.640 -0.022 0.000 0.247 761 D C -1.012 175.509 176.300 0.368 0.000 1.010 761 D CA 0.028 54.197 54.000 0.282 0.000 0.880 761 D CB 1.546 42.449 40.800 0.172 0.000 1.209 761 D HN 0.348 nan 8.370 nan 0.000 0.451 762 F N -1.137 118.906 119.950 0.155 0.000 2.675 762 F HA 0.667 5.181 4.527 -0.021 0.000 0.324 762 F C -1.312 174.562 175.800 0.125 0.000 1.106 762 F CA -1.163 56.946 58.000 0.180 0.000 0.970 762 F CB 1.139 40.346 39.000 0.346 0.000 1.385 762 F HN 0.091 nan 8.300 nan 0.000 0.489 763 I N 2.042 122.513 120.570 -0.166 0.000 2.405 763 I HA 0.215 4.372 4.170 -0.022 0.000 0.280 763 I C -1.341 174.623 176.117 -0.254 0.000 1.027 763 I CA -0.373 60.769 61.300 -0.263 0.000 1.161 763 I CB 1.068 39.031 38.000 -0.062 0.000 1.300 763 I HN 0.538 nan 8.210 nan 0.000 0.463 764 D N 6.798 126.921 120.400 -0.462 0.000 2.347 764 D HA 0.260 4.887 4.640 -0.022 0.000 0.235 764 D C 0.269 176.548 176.300 -0.035 0.000 1.149 764 D CA -0.205 53.709 54.000 -0.143 0.000 0.850 764 D CB 0.539 41.269 40.800 -0.118 0.000 1.061 764 D HN 0.365 nan 8.370 nan 0.000 0.487 765 R N 3.281 123.802 120.500 0.035 0.000 3.225 765 R HA -0.181 4.146 4.340 -0.022 0.000 0.245 765 R C 0.942 177.239 176.300 -0.006 0.000 0.928 765 R CA 0.568 56.686 56.100 0.031 0.000 0.632 765 R CB -2.020 28.311 30.300 0.052 0.000 1.038 765 R HN 0.862 nan 8.270 nan 0.000 0.461 766 G N -0.086 108.703 108.800 -0.019 0.000 2.198 766 G HA2 -0.363 3.583 3.960 -0.022 0.000 0.257 766 G HA3 -0.363 3.583 3.960 -0.022 0.000 0.257 766 G C -0.056 174.811 174.900 -0.056 0.000 1.042 766 G CA 0.515 45.596 45.100 -0.032 0.000 0.791 766 G HN 0.500 nan 8.290 nan 0.000 0.502 767 R N -1.073 119.373 120.500 -0.089 0.000 2.522 767 R HA 0.475 4.802 4.340 -0.022 0.000 0.283 767 R C -0.336 175.855 176.300 -0.182 0.000 1.074 767 R CA -0.754 55.280 56.100 -0.110 0.000 0.925 767 R CB 2.446 32.690 30.300 -0.094 0.000 1.205 767 R HN 0.349 nan 8.270 nan 0.000 0.436 768 V N 4.387 124.216 119.914 -0.141 0.000 2.479 768 V HA 0.244 4.350 4.120 -0.022 0.000 0.281 768 V C -0.639 175.358 176.094 -0.161 0.000 1.031 768 V CA 0.663 62.871 62.300 -0.154 0.000 1.038 768 V CB 0.271 32.055 31.823 -0.064 0.000 0.981 768 V HN 0.658 nan 8.190 nan 0.000 0.478 769 K N 5.318 125.561 120.400 -0.261 0.000 2.444 769 K HA 0.568 4.875 4.320 -0.022 0.000 0.252 769 K C -0.923 175.740 176.600 0.104 0.000 0.993 769 K CA -1.014 55.200 56.287 -0.120 0.000 0.847 769 K CB 2.401 34.800 32.500 -0.167 0.000 1.340 769 K HN 0.551 nan 8.250 nan 0.000 0.446 770 K N 0.703 121.195 120.400 0.154 0.000 2.138 770 K HA 0.341 4.647 4.320 -0.022 0.000 0.251 770 K C -0.568 176.178 176.600 0.243 0.000 1.015 770 K CA -0.555 55.812 56.287 0.132 0.000 0.917 770 K CB 0.935 33.257 32.500 -0.298 0.000 1.021 770 K HN 0.151 nan 8.250 nan 0.000 0.485 771 V N 2.904 122.902 119.914 0.141 0.000 2.376 771 V HA 0.249 4.356 4.120 -0.022 0.000 0.287 771 V C -1.268 174.767 176.094 -0.099 0.000 1.015 771 V CA -0.827 61.461 62.300 -0.019 0.000 0.834 771 V CB 0.308 32.143 31.823 0.019 0.000 1.001 771 V HN 0.567 nan 8.190 nan 0.000 0.428 772 Y N 2.775 123.035 120.300 -0.067 0.000 2.446 772 Y HA 0.694 5.230 4.550 -0.022 0.000 0.338 772 Y C 0.057 175.849 175.900 -0.179 0.000 1.055 772 Y CA -0.746 57.311 58.100 -0.071 0.000 1.101 772 Y CB 2.226 40.616 38.460 -0.117 0.000 1.221 772 Y HN 0.403 nan 8.280 nan 0.000 0.460 773 V N 5.690 125.643 119.914 0.064 0.000 2.487 773 V HA 0.667 4.774 4.120 -0.022 0.000 0.298 773 V C -0.962 175.133 176.094 0.001 0.000 1.028 773 V CA -0.499 61.790 62.300 -0.019 0.000 0.860 773 V CB 1.274 33.109 31.823 0.020 0.000 0.991 773 V HN 0.903 nan 8.190 nan 0.000 0.427 774 M N 4.546 124.114 119.600 -0.054 0.000 2.578 774 M HA 0.459 4.925 4.480 -0.022 0.000 0.276 774 M C -0.554 175.847 176.300 0.168 0.000 1.245 774 M CA -0.427 54.894 55.300 0.035 0.000 0.871 774 M CB 2.480 35.101 32.600 0.035 0.000 1.722 774 M HN 0.663 nan 8.290 nan 0.000 0.473 775 S N 1.316 117.104 115.700 0.148 0.000 2.572 775 S HA 0.118 4.575 4.470 -0.022 0.000 0.279 775 S C -0.230 174.607 174.600 0.395 0.000 1.341 775 S CA -0.043 58.323 58.200 0.276 0.000 1.043 775 S CB 0.545 63.825 63.200 0.134 0.000 0.887 775 S HN 0.717 nan 8.310 nan 0.000 0.516 776 E N 2.317 122.780 120.200 0.438 0.000 2.467 776 E HA 0.171 4.507 4.350 -0.022 0.000 0.264 776 E C 1.372 178.005 176.600 0.055 0.000 1.020 776 E CA 0.360 56.919 56.400 0.267 0.000 0.945 776 E CB 0.454 30.367 29.700 0.356 0.000 0.942 776 E HN 0.773 nan 8.360 nan 0.000 0.449 777 A N 5.080 127.779 122.820 -0.201 0.000 1.896 777 A HA -0.330 3.976 4.320 -0.022 0.000 0.220 777 A C 1.791 179.234 177.584 -0.235 0.000 1.206 777 A CA 2.543 54.433 52.037 -0.245 0.000 0.647 777 A CB -0.707 18.094 19.000 -0.332 0.000 0.828 777 A HN 0.799 nan 8.150 nan 0.000 0.455 778 K N -1.759 118.433 120.400 -0.347 0.000 2.442 778 K HA -0.095 4.212 4.320 -0.022 0.000 0.198 778 K C 0.784 177.068 176.600 -0.527 0.000 1.042 778 K CA 1.490 57.489 56.287 -0.480 0.000 0.958 778 K CB -0.379 31.755 32.500 -0.611 0.000 0.766 778 K HN 0.624 nan 8.250 nan 0.000 0.474 779 Y N 1.714 121.956 120.300 -0.097 0.000 2.524 779 Y HA 0.232 4.768 4.550 -0.022 0.000 0.266 779 Y C 0.253 176.011 175.900 -0.238 0.000 1.180 779 Y CA -0.786 57.273 58.100 -0.069 0.000 1.244 779 Y CB 0.497 38.958 38.460 0.001 0.000 1.125 779 Y HN 0.101 nan 8.280 nan 0.000 0.524 780 R N -1.692 118.583 120.500 -0.375 0.000 2.647 780 R HA 0.344 4.670 4.340 -0.022 0.000 0.295 780 R C -0.257 175.829 176.300 -0.356 0.000 1.267 780 R CA -0.024 55.442 56.100 -1.057 0.000 1.386 780 R CB -0.146 29.498 30.300 -1.093 0.000 1.309 780 R HN 0.075 nan 8.270 nan 0.000 0.692 781 M N 0.110 119.661 119.600 -0.082 0.000 3.101 781 M HA 0.341 4.808 4.480 -0.022 0.000 0.236 781 M C 0.489 176.882 176.300 0.156 0.000 1.538 781 M CA 0.520 55.851 55.300 0.051 0.000 1.309 781 M CB -0.129 32.452 32.600 -0.031 0.000 1.141 781 M HN 0.210 nan 8.290 nan 0.000 0.579 782 L N 0.376 121.681 121.223 0.136 0.000 2.352 782 L HA 0.261 4.588 4.340 -0.022 0.000 0.269 782 L C -1.483 175.434 176.870 0.077 0.000 1.034 782 L CA -1.782 53.110 54.840 0.087 0.000 0.806 782 L CB 0.598 42.683 42.059 0.043 0.000 1.244 782 L HN -0.020 nan 8.230 nan 0.000 0.447 783 P HA -0.124 nan 4.420 nan 0.000 0.221 783 P C 0.262 177.501 177.300 -0.101 0.000 1.145 783 P CA 1.051 63.880 63.100 -0.452 0.000 0.795 783 P CB 0.099 31.341 31.700 -0.764 0.000 0.775 784 D N -1.071 119.337 120.400 0.013 0.000 2.350 784 D HA -0.109 4.517 4.640 -0.022 0.000 0.216 784 D C 1.111 177.489 176.300 0.129 0.000 0.968 784 D CA 0.729 54.768 54.000 0.065 0.000 0.894 784 D CB -0.424 40.407 40.800 0.052 0.000 0.909 784 D HN 0.206 nan 8.370 nan 0.000 0.520 785 D N 0.119 120.660 120.400 0.235 0.000 2.347 785 D HA -0.014 4.613 4.640 -0.022 0.000 0.213 785 D C 1.948 178.556 176.300 0.513 0.000 0.985 785 D CA 0.089 54.297 54.000 0.347 0.000 0.879 785 D CB 0.206 41.224 40.800 0.363 0.000 0.919 785 D HN 0.232 nan 8.370 nan 0.000 0.526 786 I N 1.152 121.961 120.570 0.397 0.000 2.335 786 I HA -0.151 4.006 4.170 -0.022 0.000 0.251 786 I C 2.418 178.624 176.117 0.147 0.000 1.129 786 I CA 1.022 62.454 61.300 0.220 0.000 1.402 786 I CB -1.370 36.590 38.000 -0.068 0.000 1.069 786 I HN -0.002 nan 8.210 nan 0.000 0.424 787 G N 0.772 109.636 108.800 0.107 0.000 2.498 787 G HA2 -0.204 3.742 3.960 -0.022 0.000 0.219 787 G HA3 -0.204 3.742 3.960 -0.022 0.000 0.219 787 G C 1.112 176.010 174.900 -0.003 0.000 1.119 787 G CA 0.480 45.594 45.100 0.024 0.000 0.766 787 G HN 0.364 nan 8.290 nan 0.000 0.552 788 D N -0.556 119.867 120.400 0.038 0.000 2.277 788 D HA 0.012 4.639 4.640 -0.022 0.000 0.208 788 D C 0.231 176.378 176.300 -0.255 0.000 0.962 788 D CA 0.203 54.123 54.000 -0.132 0.000 0.865 788 D CB 0.048 40.672 40.800 -0.294 0.000 0.939 788 D HN 0.448 nan 8.370 nan 0.000 0.510 789 W N 0.313 121.677 121.300 0.107 0.000 2.433 789 W HA 0.435 5.083 4.660 -0.021 0.000 0.315 789 W C -0.437 176.228 176.519 0.244 0.000 1.087 789 W CA -0.743 56.741 57.345 0.233 0.000 1.205 789 W CB 0.631 30.217 29.460 0.210 0.000 1.288 789 W HN -0.244 nan 8.180 nan 0.000 0.504 790 Y N 1.620 122.242 120.300 0.537 0.000 2.462 790 Y HA 0.587 5.123 4.550 -0.022 0.000 0.346 790 Y C -0.096 176.024 175.900 0.366 0.000 0.976 790 Y CA -1.312 57.027 58.100 0.397 0.000 1.044 790 Y CB 1.641 40.224 38.460 0.205 0.000 1.230 790 Y HN -0.020 nan 8.280 nan 0.000 0.455 791 V N 3.265 123.419 119.914 0.401 0.000 2.547 791 V HA 0.476 4.583 4.120 -0.022 0.000 0.299 791 V C -0.313 175.881 176.094 0.167 0.000 1.040 791 V CA -1.151 61.276 62.300 0.213 0.000 0.913 791 V CB 1.736 33.553 31.823 -0.010 0.000 0.992 791 V HN 0.669 nan 8.190 nan 0.000 0.449 792 R N 2.538 123.105 120.500 0.112 0.000 2.254 792 R HA 0.663 4.989 4.340 -0.022 0.000 0.318 792 R C 0.063 176.379 176.300 0.027 0.000 1.031 792 R CA -0.070 56.078 56.100 0.080 0.000 0.905 792 R CB 0.972 31.316 30.300 0.074 0.000 1.050 792 R HN 0.928 nan 8.270 nan 0.000 0.456 793 A N 3.242 126.077 122.820 0.025 0.000 2.246 793 A HA 0.496 4.803 4.320 -0.022 0.000 0.291 793 A C 1.082 178.666 177.584 0.000 0.000 1.103 793 A CA 0.154 52.188 52.037 -0.005 0.000 0.844 793 A CB 0.543 19.546 19.000 0.005 0.000 1.136 793 A HN 0.970 nan 8.150 nan 0.000 0.500 794 A N 0.316 123.130 122.820 -0.010 0.000 1.883 794 A HA -0.159 4.148 4.320 -0.022 0.000 0.217 794 A C 1.411 178.996 177.584 0.003 0.000 1.186 794 A CA 2.101 54.134 52.037 -0.006 0.000 0.624 794 A CB -0.833 18.160 19.000 -0.012 0.000 0.822 794 A HN 0.895 nan 8.150 nan 0.000 0.444 795 D N -1.777 118.626 120.400 0.006 0.000 2.390 795 D HA 0.228 4.854 4.640 -0.022 0.000 0.235 795 D C 1.197 177.505 176.300 0.015 0.000 1.040 795 D CA 1.244 55.249 54.000 0.010 0.000 0.923 795 D CB -0.603 40.203 40.800 0.011 0.000 0.886 795 D HN 0.844 nan 8.370 nan 0.000 0.532 796 G N 0.230 109.041 108.800 0.018 0.000 2.308 796 G HA2 -0.285 3.662 3.960 -0.022 0.000 0.221 796 G HA3 -0.285 3.662 3.960 -0.022 0.000 0.221 796 G C 0.244 175.162 174.900 0.029 0.000 1.032 796 G CA 0.109 45.222 45.100 0.022 0.000 0.623 796 G HN 0.689 nan 8.290 nan 0.000 0.506 797 Q N 1.375 121.195 119.800 0.033 0.000 2.368 797 Q HA 0.711 5.038 4.340 -0.022 0.000 0.237 797 Q C 0.171 176.212 176.000 0.069 0.000 0.987 797 Q CA -0.549 55.279 55.803 0.042 0.000 0.896 797 Q CB 0.753 29.516 28.738 0.042 0.000 1.241 797 Q HN 0.226 nan 8.270 nan 0.000 0.485 798 M N 1.950 121.598 119.600 0.080 0.000 2.233 798 M HA 0.376 4.843 4.480 -0.022 0.000 0.355 798 M C -0.871 175.587 176.300 0.263 0.000 1.191 798 M CA -0.700 54.690 55.300 0.150 0.000 1.101 798 M CB 1.259 33.897 32.600 0.064 0.000 1.592 798 M HN 0.547 nan 8.290 nan 0.000 0.461 799 V N 4.604 124.732 119.914 0.357 0.000 2.531 799 V HA 0.459 4.566 4.120 -0.022 0.000 0.301 799 V C -2.264 174.033 176.094 0.339 0.000 1.034 799 V CA -1.600 60.908 62.300 0.347 0.000 0.865 799 V CB 1.956 33.948 31.823 0.281 0.000 0.995 799 V HN 0.655 nan 8.190 nan 0.000 0.424 800 P HA 0.253 nan 4.420 nan 0.000 0.275 800 P C 0.682 177.775 177.300 -0.345 0.000 1.228 800 P CA -0.160 62.773 63.100 -0.279 0.000 0.786 800 P CB 0.960 32.497 31.700 -0.272 0.000 0.927 801 F N 1.241 120.851 119.950 -0.567 0.000 2.154 801 F HA -0.267 4.246 4.527 -0.022 0.000 0.301 801 F C 2.707 177.918 175.800 -0.982 0.000 1.087 801 F CA 2.451 59.808 58.000 -1.072 0.000 1.274 801 F CB -0.791 37.968 39.000 -0.402 0.000 1.009 801 F HN 0.328 nan 8.300 nan 0.000 0.485 802 S N -0.051 115.460 115.700 -0.315 0.000 2.440 802 S HA -0.209 4.248 4.470 -0.022 0.000 0.238 802 S C 2.044 176.510 174.600 -0.222 0.000 1.010 802 S CA 0.799 58.875 58.200 -0.206 0.000 0.972 802 S CB -0.804 62.337 63.200 -0.099 0.000 0.774 802 S HN 0.317 nan 8.310 nan 0.000 0.501 803 A N 1.380 124.026 122.820 -0.289 0.000 1.968 803 A HA 0.265 4.572 4.320 -0.022 0.000 0.217 803 A C 1.766 179.319 177.584 -0.053 0.000 1.169 803 A CA 1.037 53.004 52.037 -0.116 0.000 0.638 803 A CB -0.631 18.370 19.000 0.002 0.000 0.812 803 A HN 0.885 nan 8.150 nan 0.000 0.446 804 F N -1.376 118.552 119.950 -0.037 0.000 2.706 804 F HA 0.428 4.942 4.527 -0.022 0.000 0.313 804 F C 0.419 176.193 175.800 -0.043 0.000 1.096 804 F CA -0.060 57.906 58.000 -0.056 0.000 1.219 804 F CB -0.116 38.822 39.000 -0.103 0.000 1.051 804 F HN 0.115 nan 8.300 nan 0.000 0.568 805 S N 0.539 116.134 115.700 -0.175 0.000 2.627 805 S HA 0.819 5.276 4.470 -0.022 0.000 0.283 805 S C -0.582 173.975 174.600 -0.073 0.000 1.127 805 S CA -0.009 58.163 58.200 -0.047 0.000 0.863 805 S CB 1.909 65.118 63.200 0.015 0.000 1.121 805 S HN 0.512 nan 8.310 nan 0.000 0.479 806 S N 0.326 115.989 115.700 -0.062 0.000 2.627 806 S HA 0.912 5.369 4.470 -0.022 0.000 0.283 806 S C -0.775 173.730 174.600 -0.159 0.000 1.127 806 S CA -0.453 57.695 58.200 -0.086 0.000 0.863 806 S CB 1.383 64.545 63.200 -0.064 0.000 1.121 806 S HN 1.792 nan 8.310 nan 0.000 0.479 807 S N 0.579 116.160 115.700 -0.199 0.000 2.569 807 S HA 0.908 5.365 4.470 -0.022 0.000 0.280 807 S C -0.872 173.521 174.600 -0.346 0.000 1.111 807 S CA -1.077 56.867 58.200 -0.427 0.000 0.887 807 S CB 1.779 64.598 63.200 -0.635 0.000 1.095 807 S HN 1.278 nan 8.310 nan 0.000 0.476 808 R N 0.169 120.375 120.500 -0.490 0.000 2.663 808 R HA 0.451 4.778 4.340 -0.022 0.000 0.267 808 R C -2.045 174.086 176.300 -0.281 0.000 1.038 808 R CA -0.909 55.054 56.100 -0.228 0.000 0.886 808 R CB 0.432 30.677 30.300 -0.092 0.000 1.249 808 R HN 0.642 nan 8.270 nan 0.000 0.463 809 W N 1.664 122.923 121.300 -0.069 0.000 2.183 809 W HA 0.373 5.019 4.660 -0.022 0.000 0.348 809 W C 0.285 176.754 176.519 -0.084 0.000 1.257 809 W CA 0.537 57.852 57.345 -0.049 0.000 1.324 809 W CB 0.793 30.247 29.460 -0.010 0.000 1.144 809 W HN 0.738 nan 8.180 nan 0.000 0.622 810 E N -0.341 119.959 120.200 0.167 0.000 2.422 810 E HA 0.272 4.609 4.350 -0.022 0.000 0.280 810 E C -2.114 174.497 176.600 0.019 0.000 1.091 810 E CA -1.113 55.334 56.400 0.078 0.000 0.849 810 E CB 0.954 30.684 29.700 0.050 0.000 1.353 810 E HN 0.316 nan 8.360 nan 0.000 0.449 811 Y N 0.136 120.503 120.300 0.111 0.000 2.327 811 Y HA 0.612 5.148 4.550 -0.022 0.000 0.336 811 Y C 0.775 176.718 175.900 0.071 0.000 1.035 811 Y CA 0.786 58.946 58.100 0.101 0.000 1.165 811 Y CB 1.999 40.512 38.460 0.088 0.000 1.181 811 Y HN 0.705 nan 8.280 nan 0.000 0.494 812 G N 0.544 109.468 108.800 0.206 0.000 3.108 812 G HA2 0.454 4.401 3.960 -0.022 0.000 0.268 812 G HA3 0.454 4.401 3.960 -0.022 0.000 0.268 812 G C -1.289 173.658 174.900 0.079 0.000 1.361 812 G CA -0.915 44.243 45.100 0.098 0.000 1.047 812 G HN 0.441 nan 8.290 nan 0.000 0.540 813 S N 0.074 115.746 115.700 -0.046 0.000 2.437 813 S HA 0.559 5.016 4.470 -0.022 0.000 0.305 813 S C -1.452 173.138 174.600 -0.017 0.000 1.109 813 S CA -1.591 56.571 58.200 -0.064 0.000 1.099 813 S CB 1.900 64.912 63.200 -0.313 0.000 1.004 813 S HN 0.323 nan 8.310 nan 0.000 0.475 814 P HA 0.099 nan 4.420 nan 0.000 0.241 814 P C -0.118 177.202 177.300 0.033 0.000 1.191 814 P CA 0.315 63.438 63.100 0.038 0.000 0.771 814 P CB 0.083 31.819 31.700 0.061 0.000 0.929 815 R N 0.261 120.779 120.500 0.030 0.000 2.659 815 R HA 0.380 4.706 4.340 -0.022 0.000 0.290 815 R C -1.531 174.795 176.300 0.043 0.000 1.253 815 R CA -0.467 55.658 56.100 0.040 0.000 1.010 815 R CB 0.574 30.906 30.300 0.053 0.000 1.236 815 R HN -0.035 nan 8.270 nan 0.000 0.413 816 L N 3.886 125.128 121.223 0.030 0.000 2.295 816 L HA 0.479 4.806 4.340 -0.022 0.000 0.285 816 L C -0.074 176.834 176.870 0.063 0.000 1.035 816 L CA -0.581 54.284 54.840 0.041 0.000 0.806 816 L CB 1.851 43.913 42.059 0.005 0.000 1.214 816 L HN 0.556 nan 8.230 nan 0.000 0.426 817 E N 3.648 123.897 120.200 0.082 0.000 2.202 817 E HA 0.643 4.979 4.350 -0.022 0.000 0.272 817 E C -1.054 175.595 176.600 0.081 0.000 0.951 817 E CA -0.939 55.507 56.400 0.078 0.000 0.813 817 E CB 2.021 31.763 29.700 0.070 0.000 1.151 817 E HN 0.441 nan 8.360 nan 0.000 0.398 818 R N 1.619 122.172 120.500 0.088 0.000 2.621 818 R HA 0.389 4.716 4.340 -0.022 0.000 0.284 818 R C -1.597 174.790 176.300 0.146 0.000 0.998 818 R CA -0.941 55.213 56.100 0.090 0.000 0.895 818 R CB 1.661 31.996 30.300 0.058 0.000 1.195 818 R HN 0.514 nan 8.270 nan 0.000 0.450 819 Y N 2.466 122.748 120.300 -0.029 0.000 2.361 819 Y HA 0.209 4.747 4.550 -0.021 0.000 0.337 819 Y C -0.092 175.781 175.900 -0.045 0.000 0.965 819 Y CA -1.051 57.020 58.100 -0.050 0.000 1.091 819 Y CB 1.280 39.682 38.460 -0.096 0.000 1.182 819 Y HN 0.702 nan 8.280 nan 0.000 0.450 820 N N 4.052 122.450 118.700 -0.504 0.000 2.710 820 N HA -0.243 4.484 4.740 -0.022 0.000 0.249 820 N C 0.928 176.344 175.510 -0.156 0.000 1.059 820 N CA 1.777 54.611 53.050 -0.361 0.000 0.720 820 N CB -1.056 37.180 38.487 -0.418 0.000 0.983 820 N HN 1.297 nan 8.380 nan 0.000 0.544 821 G N -1.906 106.837 108.800 -0.094 0.000 2.279 821 G HA2 -0.284 3.663 3.960 -0.022 0.000 0.223 821 G HA3 -0.284 3.663 3.960 -0.022 0.000 0.223 821 G C -0.008 174.884 174.900 -0.013 0.000 1.015 821 G CA 0.307 45.381 45.100 -0.044 0.000 0.621 821 G HN 0.341 nan 8.290 nan 0.000 0.506 822 L N 1.534 122.754 121.223 -0.006 0.000 2.344 822 L HA 0.521 4.848 4.340 -0.022 0.000 0.272 822 L C -2.179 174.716 176.870 0.040 0.000 1.035 822 L CA -2.429 52.420 54.840 0.016 0.000 0.807 822 L CB 1.456 43.520 42.059 0.009 0.000 1.237 822 L HN -0.162 nan 8.230 nan 0.000 0.442 823 P HA -0.020 nan 4.420 nan 0.000 0.261 823 P C -0.806 176.528 177.300 0.057 0.000 1.183 823 P CA 0.229 63.364 63.100 0.060 0.000 0.761 823 P CB 0.559 32.297 31.700 0.063 0.000 0.785 824 S N 3.202 118.941 115.700 0.066 0.000 2.632 824 S HA 0.840 5.297 4.470 -0.022 0.000 0.289 824 S C -0.758 173.863 174.600 0.034 0.000 1.115 824 S CA -0.885 57.340 58.200 0.041 0.000 0.889 824 S CB 1.470 64.705 63.200 0.058 0.000 1.116 824 S HN 0.214 nan 8.310 nan 0.000 0.486 825 M N 1.732 121.332 119.600 -0.000 0.000 2.165 825 M HA 0.389 4.856 4.480 -0.022 0.000 0.283 825 M C -0.898 175.394 176.300 -0.013 0.000 0.978 825 M CA -0.219 55.088 55.300 0.012 0.000 0.948 825 M CB 2.226 34.837 32.600 0.019 0.000 1.599 825 M HN 0.900 nan 8.290 nan 0.000 0.450 826 E N 3.663 123.856 120.200 -0.011 0.000 2.313 826 E HA 0.535 4.872 4.350 -0.022 0.000 0.276 826 E C -1.426 175.204 176.600 0.049 0.000 1.031 826 E CA -0.260 56.124 56.400 -0.026 0.000 0.857 826 E CB 1.141 30.818 29.700 -0.038 0.000 1.040 826 E HN 0.597 nan 8.360 nan 0.000 0.408 827 I N 5.756 126.403 120.570 0.129 0.000 2.418 827 I HA 0.261 4.418 4.170 -0.022 0.000 0.287 827 I C -0.339 175.899 176.117 0.202 0.000 1.008 827 I CA -0.582 60.830 61.300 0.187 0.000 1.104 827 I CB 1.239 39.415 38.000 0.294 0.000 1.264 827 I HN 0.426 nan 8.210 nan 0.000 0.438 828 L N 4.915 126.180 121.223 0.070 0.000 2.416 828 L HA 0.963 5.290 4.340 -0.022 0.000 0.263 828 L C 0.549 177.303 176.870 -0.193 0.000 1.065 828 L CA -0.546 54.270 54.840 -0.041 0.000 0.798 828 L CB 1.605 43.607 42.059 -0.094 0.000 1.267 828 L HN 0.783 nan 8.230 nan 0.000 0.467 829 G N 0.127 108.602 108.800 -0.541 0.000 2.336 829 G HA2 0.386 4.333 3.960 -0.022 0.000 0.300 829 G HA3 0.386 4.333 3.960 -0.022 0.000 0.300 829 G C -2.287 171.916 174.900 -1.161 0.000 1.375 829 G CA -0.685 43.981 45.100 -0.723 0.000 0.885 829 G HN 0.639 nan 8.290 nan 0.000 0.599 830 Q N -0.906 118.515 119.800 -0.631 0.000 2.511 830 Q HA 0.774 5.101 4.340 -0.022 0.000 0.289 830 Q C -0.250 175.755 176.000 0.009 0.000 1.021 830 Q CA -0.802 54.806 55.803 -0.325 0.000 0.785 830 Q CB 2.008 30.633 28.738 -0.188 0.000 1.472 830 Q HN 1.821 nan 8.270 nan 0.000 0.411 831 A N 0.925 123.805 122.820 0.101 0.000 2.462 831 A HA 0.578 4.885 4.320 -0.022 0.000 0.243 831 A C 0.303 177.911 177.584 0.041 0.000 1.076 831 A CA 0.255 52.354 52.037 0.104 0.000 0.773 831 A CB 0.018 19.065 19.000 0.078 0.000 1.010 831 A HN 0.826 nan 8.150 nan 0.000 0.493 832 A N 3.743 126.588 122.820 0.041 0.000 2.466 832 A HA 0.468 4.775 4.320 -0.022 0.000 0.238 832 A C -0.901 176.686 177.584 0.006 0.000 1.074 832 A CA -0.730 51.320 52.037 0.022 0.000 0.774 832 A CB -0.540 18.477 19.000 0.028 0.000 1.015 832 A HN 0.657 nan 8.150 nan 0.000 0.498 833 P HA -0.255 nan 4.420 nan 0.000 0.221 833 P C 1.474 178.764 177.300 -0.017 0.000 1.153 833 P CA 2.361 65.454 63.100 -0.013 0.000 0.858 833 P CB 0.083 31.776 31.700 -0.012 0.000 0.783 834 G N -1.876 106.918 108.800 -0.010 0.000 2.471 834 G HA2 -0.028 3.918 3.960 -0.022 0.000 0.211 834 G HA3 -0.028 3.918 3.960 -0.022 0.000 0.211 834 G C 0.620 175.511 174.900 -0.014 0.000 1.194 834 G CA 0.322 45.415 45.100 -0.012 0.000 0.816 834 G HN 0.219 nan 8.290 nan 0.000 0.545 835 K N 0.732 121.130 120.400 -0.004 0.000 2.117 835 K HA 0.479 4.786 4.320 -0.022 0.000 0.240 835 K C 0.615 177.210 176.600 -0.008 0.000 1.031 835 K CA -0.188 56.096 56.287 -0.004 0.000 0.909 835 K CB 1.190 33.692 32.500 0.003 0.000 1.097 835 K HN 0.352 nan 8.250 nan 0.000 0.492 836 S N -1.370 114.323 115.700 -0.012 0.000 2.730 836 S HA 0.206 4.663 4.470 -0.022 0.000 0.284 836 S C 0.795 175.391 174.600 -0.007 0.000 1.153 836 S CA -0.567 57.622 58.200 -0.019 0.000 0.995 836 S CB 1.341 64.524 63.200 -0.029 0.000 1.058 836 S HN 0.510 nan 8.310 nan 0.000 0.552 837 T N 1.040 115.588 114.554 -0.009 0.000 2.777 837 T HA 0.032 4.368 4.350 -0.022 0.000 0.266 837 T C 2.058 176.715 174.700 -0.071 0.000 1.040 837 T CA 1.537 63.643 62.100 0.009 0.000 1.141 837 T CB -1.153 67.723 68.868 0.013 0.000 0.868 837 T HN 0.839 nan 8.240 nan 0.000 0.444 838 G N 1.365 110.113 108.800 -0.087 0.000 2.440 838 G HA2 -0.212 3.734 3.960 -0.022 0.000 0.218 838 G HA3 -0.212 3.734 3.960 -0.022 0.000 0.218 838 G C 1.463 176.300 174.900 -0.105 0.000 1.154 838 G CA 0.716 45.744 45.100 -0.119 0.000 0.767 838 G HN 0.517 nan 8.290 nan 0.000 0.552 839 E N 0.440 120.601 120.200 -0.066 0.000 2.110 839 E HA -0.056 4.281 4.350 -0.022 0.000 0.193 839 E C 2.915 179.473 176.600 -0.069 0.000 0.988 839 E CA 0.778 57.145 56.400 -0.054 0.000 0.804 839 E CB -0.159 29.522 29.700 -0.031 0.000 0.745 839 E HN 0.430 nan 8.360 nan 0.000 0.458 840 A N 0.915 123.699 122.820 -0.061 0.000 1.898 840 A HA -0.154 4.153 4.320 -0.022 0.000 0.216 840 A C 2.137 179.596 177.584 -0.207 0.000 1.181 840 A CA 1.178 53.179 52.037 -0.060 0.000 0.620 840 A CB -0.398 18.660 19.000 0.096 0.000 0.819 840 A HN 0.124 nan 8.150 nan 0.000 0.442 841 M N -0.970 118.451 119.600 -0.299 0.000 2.159 841 M HA -0.168 4.299 4.480 -0.022 0.000 0.263 841 M C 2.172 178.412 176.300 -0.100 0.000 1.063 841 M CA 1.763 56.824 55.300 -0.399 0.000 1.110 841 M CB -0.255 31.921 32.600 -0.708 0.000 1.374 841 M HN 0.582 nan 8.290 nan 0.000 0.411 842 E N 0.487 120.626 120.200 -0.101 0.000 2.106 842 E HA -0.188 4.149 4.350 -0.022 0.000 0.192 842 E C 2.014 178.571 176.600 -0.071 0.000 0.984 842 E CA 0.788 57.164 56.400 -0.040 0.000 0.806 842 E CB 0.037 29.712 29.700 -0.042 0.000 0.750 842 E HN 0.409 nan 8.360 nan 0.000 0.458 843 L N 0.648 121.798 121.223 -0.122 0.000 2.093 843 L HA -0.161 4.166 4.340 -0.022 0.000 0.208 843 L C 2.247 178.985 176.870 -0.220 0.000 1.085 843 L CA 1.172 55.905 54.840 -0.179 0.000 0.755 843 L CB -0.430 41.503 42.059 -0.209 0.000 0.904 843 L HN 0.306 nan 8.230 nan 0.000 0.435 844 M N -0.095 119.365 119.600 -0.233 0.000 2.080 844 M HA -0.247 4.220 4.480 -0.022 0.000 0.260 844 M C 2.006 178.079 176.300 -0.378 0.000 1.068 844 M CA 1.725 56.813 55.300 -0.355 0.000 1.109 844 M CB -0.892 31.459 32.600 -0.414 0.000 1.342 844 M HN 0.312 nan 8.290 nan 0.000 0.405 845 E N -0.478 119.600 120.200 -0.204 0.000 2.150 845 E HA -0.209 4.128 4.350 -0.022 0.000 0.193 845 E C 2.051 178.544 176.600 -0.178 0.000 0.985 845 E CA 0.951 57.199 56.400 -0.254 0.000 0.814 845 E CB -0.087 29.661 29.700 0.079 0.000 0.752 845 E HN 0.604 nan 8.360 nan 0.000 0.466 846 Q N 0.272 119.997 119.800 -0.126 0.000 2.123 846 Q HA -0.081 4.246 4.340 -0.022 0.000 0.199 846 Q C 2.243 178.177 176.000 -0.110 0.000 0.966 846 Q CA 0.839 56.588 55.803 -0.090 0.000 0.845 846 Q CB 0.054 28.741 28.738 -0.087 0.000 0.907 846 Q HN 0.291 nan 8.270 nan 0.000 0.439 847 L N -0.101 121.021 121.223 -0.168 0.000 2.093 847 L HA -0.123 4.203 4.340 -0.022 0.000 0.208 847 L C 2.389 179.177 176.870 -0.138 0.000 1.085 847 L CA 0.890 55.642 54.840 -0.146 0.000 0.755 847 L CB -0.453 41.498 42.059 -0.179 0.000 0.904 847 L HN 0.204 nan 8.230 nan 0.000 0.435 848 A N -0.091 122.601 122.820 -0.214 0.000 2.014 848 A HA -0.157 4.150 4.320 -0.022 0.000 0.218 848 A C 2.470 180.036 177.584 -0.029 0.000 1.163 848 A CA 1.454 53.394 52.037 -0.161 0.000 0.652 848 A CB -0.521 18.269 19.000 -0.349 0.000 0.808 848 A HN 0.509 nan 8.150 nan 0.000 0.449 849 S N 0.058 115.746 115.700 -0.021 0.000 2.442 849 S HA -0.076 4.381 4.470 -0.022 0.000 0.236 849 S C 0.952 175.571 174.600 0.032 0.000 1.007 849 S CA 1.041 59.271 58.200 0.050 0.000 0.965 849 S CB -0.234 62.995 63.200 0.048 0.000 0.773 849 S HN 0.535 nan 8.310 nan 0.000 0.504 850 K N 1.341 121.744 120.400 0.006 0.000 3.147 850 K HA 0.452 4.758 4.320 -0.022 0.000 0.214 850 K C -0.747 175.856 176.600 0.005 0.000 1.221 850 K CA -0.104 56.187 56.287 0.007 0.000 1.117 850 K CB 0.307 32.808 32.500 0.001 0.000 1.278 850 K HN 0.358 nan 8.250 nan 0.000 0.479 851 L N 0.804 122.036 121.223 0.015 0.000 2.298 851 L HA 0.496 4.823 4.340 -0.022 0.000 0.268 851 L C -2.132 174.749 176.870 0.018 0.000 1.010 851 L CA -2.502 52.347 54.840 0.015 0.000 0.812 851 L CB 0.718 42.792 42.059 0.025 0.000 1.331 851 L HN 0.026 nan 8.230 nan 0.000 0.450 852 P HA 0.050 nan 4.420 nan 0.000 0.266 852 P C -0.883 176.427 177.300 0.018 0.000 1.195 852 P CA -0.202 62.905 63.100 0.012 0.000 0.768 852 P CB 0.183 31.887 31.700 0.007 0.000 0.838 853 T N 2.110 116.674 114.554 0.016 0.000 2.866 853 T HA 0.309 4.646 4.350 -0.022 0.000 0.293 853 T C 1.394 176.103 174.700 0.016 0.000 1.005 853 T CA 1.218 63.328 62.100 0.017 0.000 1.162 853 T CB -0.292 68.584 68.868 0.013 0.000 0.968 853 T HN 0.837 nan 8.240 nan 0.000 0.530 854 G N 2.067 110.878 108.800 0.018 0.000 2.218 854 G HA2 -0.199 3.748 3.960 -0.022 0.000 0.216 854 G HA3 -0.199 3.748 3.960 -0.022 0.000 0.216 854 G C 0.058 174.969 174.900 0.018 0.000 0.994 854 G CA -0.339 44.770 45.100 0.015 0.000 0.637 854 G HN 0.787 nan 8.290 nan 0.000 0.505 855 V N 1.735 121.666 119.914 0.028 0.000 2.383 855 V HA 0.716 4.823 4.120 -0.022 0.000 0.275 855 V C 1.032 177.164 176.094 0.062 0.000 1.036 855 V CA 0.349 62.672 62.300 0.039 0.000 0.889 855 V CB 1.010 32.859 31.823 0.043 0.000 0.985 855 V HN 0.721 nan 8.190 nan 0.000 0.459 856 G N 3.721 112.548 108.800 0.044 0.000 2.932 856 G HA2 0.816 4.763 3.960 -0.022 0.000 0.283 856 G HA3 0.816 4.763 3.960 -0.022 0.000 0.283 856 G C -1.365 173.565 174.900 0.050 0.000 1.336 856 G CA -0.630 44.490 45.100 0.033 0.000 1.056 856 G HN 0.850 nan 8.290 nan 0.000 0.522 857 Y N -2.053 118.143 120.300 -0.173 0.000 2.656 857 Y HA 0.765 5.302 4.550 -0.022 0.000 0.334 857 Y C -1.764 173.866 175.900 -0.451 0.000 1.179 857 Y CA -1.321 56.527 58.100 -0.420 0.000 1.050 857 Y CB 1.845 40.051 38.460 -0.423 0.000 1.308 857 Y HN 0.593 nan 8.280 nan 0.000 0.456 858 D N -0.006 120.030 120.400 -0.607 0.000 2.615 858 D HA 0.422 5.049 4.640 -0.022 0.000 0.267 858 D C -2.204 173.726 176.300 -0.616 0.000 1.236 858 D CA -0.475 53.240 54.000 -0.476 0.000 0.839 858 D CB 1.726 42.438 40.800 -0.147 0.000 1.380 858 D HN 0.638 nan 8.370 nan 0.000 0.433 859 W N 0.512 121.791 121.300 -0.036 0.000 2.478 859 W HA 0.576 5.222 4.660 -0.023 0.000 0.318 859 W C 0.344 176.842 176.519 -0.035 0.000 1.062 859 W CA -0.527 56.814 57.345 -0.006 0.000 1.210 859 W CB 2.007 31.535 29.460 0.114 0.000 1.325 859 W HN 0.030 nan 8.180 nan 0.000 0.496 860 T N 1.115 115.693 114.554 0.041 0.000 2.927 860 T HA 0.693 5.029 4.350 -0.022 0.000 0.286 860 T C 0.799 175.505 174.700 0.009 0.000 1.040 860 T CA 0.621 62.570 62.100 -0.252 0.000 1.010 860 T CB 0.737 69.230 68.868 -0.625 0.000 1.177 860 T HN 0.966 nan 8.240 nan 0.000 0.546 861 G N 2.267 111.061 108.800 -0.011 0.000 2.583 861 G HA2 -0.276 3.671 3.960 -0.022 0.000 0.292 861 G HA3 -0.276 3.671 3.960 -0.022 0.000 0.292 861 G C 0.852 175.890 174.900 0.231 0.000 1.203 861 G CA 0.667 45.869 45.100 0.169 0.000 0.987 861 G HN 0.672 nan 8.290 nan 0.000 0.554 862 M N 0.811 120.511 119.600 0.167 0.000 2.296 862 M HA 0.085 4.552 4.480 -0.022 0.000 0.265 862 M C 2.751 179.151 176.300 0.167 0.000 1.064 862 M CA 1.983 57.372 55.300 0.148 0.000 1.109 862 M CB -1.502 31.160 32.600 0.104 0.000 1.396 862 M HN 0.430 nan 8.290 nan 0.000 0.430 863 S N -0.641 115.173 115.700 0.189 0.000 2.402 863 S HA -0.135 4.322 4.470 -0.022 0.000 0.229 863 S C 1.896 176.578 174.600 0.137 0.000 1.021 863 S CA 0.812 59.077 58.200 0.109 0.000 0.974 863 S CB -0.470 62.855 63.200 0.208 0.000 0.800 863 S HN 0.530 nan 8.310 nan 0.000 0.484 864 Y N 1.899 122.286 120.300 0.146 0.000 2.220 864 Y HA -0.107 4.429 4.550 -0.023 0.000 0.291 864 Y C 2.564 178.553 175.900 0.148 0.000 1.129 864 Y CA 1.571 59.774 58.100 0.171 0.000 1.161 864 Y CB -0.327 38.255 38.460 0.204 0.000 0.997 864 Y HN 0.119 nan 8.280 nan 0.000 0.522 865 Q N 0.713 120.698 119.800 0.308 0.000 2.020 865 Q HA -0.212 4.115 4.340 -0.022 0.000 0.202 865 Q C 2.079 178.131 176.000 0.085 0.000 0.982 865 Q CA 2.419 58.342 55.803 0.200 0.000 0.838 865 Q CB -0.174 28.676 28.738 0.187 0.000 0.899 865 Q HN 0.571 nan 8.270 nan 0.000 0.423 866 E N -0.586 119.664 120.200 0.083 0.000 2.160 866 E HA -0.205 4.132 4.350 -0.022 0.000 0.195 866 E C 2.083 178.678 176.600 -0.009 0.000 0.991 866 E CA 0.827 57.262 56.400 0.058 0.000 0.810 866 E CB -0.029 29.709 29.700 0.064 0.000 0.742 866 E HN 0.201 nan 8.360 nan 0.000 0.466 867 R N 0.163 120.622 120.500 -0.067 0.000 2.066 867 R HA -0.029 4.297 4.340 -0.022 0.000 0.232 867 R C 2.237 178.484 176.300 -0.089 0.000 1.131 867 R CA 0.860 56.896 56.100 -0.106 0.000 0.955 867 R CB -0.105 30.107 30.300 -0.148 0.000 0.851 867 R HN 0.173 nan 8.270 nan 0.000 0.432 868 L N 0.339 121.487 121.223 -0.125 0.000 2.395 868 L HA -0.018 4.309 4.340 -0.022 0.000 0.218 868 L C 0.496 177.371 176.870 0.009 0.000 1.130 868 L CA 0.646 55.434 54.840 -0.086 0.000 0.826 868 L CB 0.248 42.225 42.059 -0.137 0.000 0.941 868 L HN 0.165 nan 8.230 nan 0.000 0.451 869 S N -2.280 113.444 115.700 0.041 0.000 2.327 869 S HA 0.384 4.841 4.470 -0.022 0.000 0.203 869 S C 0.533 175.195 174.600 0.104 0.000 1.326 869 S CA -0.155 58.105 58.200 0.101 0.000 1.248 869 S CB 0.806 64.092 63.200 0.143 0.000 1.199 869 S HN 0.170 nan 8.310 nan 0.000 0.422 870 G N 1.608 110.452 108.800 0.073 0.000 2.759 870 G HA2 0.138 4.085 3.960 -0.022 0.000 0.208 870 G HA3 0.138 4.085 3.960 -0.022 0.000 0.208 870 G C 0.276 175.224 174.900 0.080 0.000 1.076 870 G CA -0.524 44.616 45.100 0.067 0.000 0.789 870 G HN 0.578 nan 8.290 nan 0.000 0.546 871 N N 1.092 119.835 118.700 0.071 0.000 2.802 871 N HA 0.285 5.012 4.740 -0.022 0.000 0.288 871 N C 0.914 176.474 175.510 0.083 0.000 1.268 871 N CA 0.060 53.149 53.050 0.064 0.000 1.035 871 N CB 0.922 39.432 38.487 0.039 0.000 1.353 871 N HN 0.356 nan 8.380 nan 0.000 0.522 872 Q N -0.513 119.371 119.800 0.139 0.000 2.519 872 Q HA 0.282 4.609 4.340 -0.022 0.000 0.248 872 Q C 1.684 177.802 176.000 0.196 0.000 0.804 872 Q CA 0.190 56.083 55.803 0.151 0.000 0.979 872 Q CB 0.049 28.931 28.738 0.240 0.000 1.282 872 Q HN 0.408 nan 8.270 nan 0.000 0.558 873 A N 2.680 125.736 122.820 0.394 0.000 1.903 873 A HA -0.164 4.142 4.320 -0.022 0.000 0.219 873 A C -0.430 177.354 177.584 0.334 0.000 1.191 873 A CA 1.945 54.276 52.037 0.489 0.000 0.638 873 A CB -1.463 17.770 19.000 0.388 0.000 0.823 873 A HN 0.298 nan 8.150 nan 0.000 0.451 874 P HA -0.017 nan 4.420 nan 0.000 0.217 874 P C 1.626 178.972 177.300 0.076 0.000 1.154 874 P CA 1.558 64.740 63.100 0.136 0.000 0.841 874 P CB -0.168 31.581 31.700 0.082 0.000 0.788 875 S N 0.109 115.827 115.700 0.031 0.000 2.356 875 S HA -0.083 4.374 4.470 -0.022 0.000 0.223 875 S C 2.039 176.584 174.600 -0.092 0.000 1.032 875 S CA 1.118 59.303 58.200 -0.025 0.000 1.005 875 S CB -1.045 62.137 63.200 -0.031 0.000 0.867 875 S HN 0.095 nan 8.310 nan 0.000 0.449 876 L N -0.604 120.509 121.223 -0.183 0.000 2.027 876 L HA -0.087 4.240 4.340 -0.022 0.000 0.206 876 L C 1.908 178.565 176.870 -0.355 0.000 1.074 876 L CA 1.374 55.987 54.840 -0.379 0.000 0.745 876 L CB -0.524 41.116 42.059 -0.697 0.000 0.898 876 L HN 0.355 nan 8.230 nan 0.000 0.433 877 Y N -0.736 119.523 120.300 -0.069 0.000 2.578 877 Y HA -0.030 4.508 4.550 -0.021 0.000 0.297 877 Y C 2.323 178.203 175.900 -0.034 0.000 1.176 877 Y CA 0.260 58.336 58.100 -0.040 0.000 1.315 877 Y CB -0.298 38.161 38.460 -0.000 0.000 1.031 877 Y HN 0.147 nan 8.280 nan 0.000 0.524 878 A N 0.146 122.999 122.820 0.055 0.000 1.898 878 A HA -0.063 4.244 4.320 -0.022 0.000 0.214 878 A C 1.974 179.556 177.584 -0.004 0.000 1.183 878 A CA 1.104 53.155 52.037 0.023 0.000 0.622 878 A CB -0.643 18.358 19.000 0.003 0.000 0.824 878 A HN 0.470 nan 8.150 nan 0.000 0.444 879 I N -0.564 119.975 120.570 -0.052 0.000 2.546 879 I HA -0.133 4.024 4.170 -0.022 0.000 0.255 879 I C 2.530 178.616 176.117 -0.051 0.000 1.163 879 I CA 0.824 62.082 61.300 -0.070 0.000 1.457 879 I CB -0.190 37.730 38.000 -0.135 0.000 1.092 879 I HN 0.168 nan 8.210 nan 0.000 0.434 880 S N 1.059 116.735 115.700 -0.040 0.000 2.348 880 S HA -0.121 4.336 4.470 -0.022 0.000 0.221 880 S C 2.031 176.660 174.600 0.048 0.000 1.033 880 S CA 1.425 59.631 58.200 0.010 0.000 1.010 880 S CB -0.271 62.992 63.200 0.106 0.000 0.891 880 S HN 0.315 nan 8.310 nan 0.000 0.442 881 L N 0.866 122.130 121.223 0.069 0.000 2.017 881 L HA -0.091 4.236 4.340 -0.022 0.000 0.208 881 L C 2.137 179.078 176.870 0.119 0.000 1.073 881 L CA 1.164 56.056 54.840 0.087 0.000 0.745 881 L CB -0.472 41.631 42.059 0.073 0.000 0.894 881 L HN 0.319 nan 8.230 nan 0.000 0.432 882 I N -1.311 119.317 120.570 0.097 0.000 2.226 882 I HA -0.281 3.876 4.170 -0.022 0.000 0.245 882 I C 2.365 178.587 176.117 0.175 0.000 1.100 882 I CA 1.028 62.415 61.300 0.144 0.000 1.374 882 I CB -0.350 37.698 38.000 0.080 0.000 1.057 882 I HN 0.017 nan 8.210 nan 0.000 0.413 883 V N 0.214 120.182 119.914 0.090 0.000 2.358 883 V HA -0.215 3.892 4.120 -0.022 0.000 0.246 883 V C 2.445 178.575 176.094 0.059 0.000 1.047 883 V CA 1.412 63.746 62.300 0.057 0.000 1.035 883 V CB -0.353 31.476 31.823 0.010 0.000 0.658 883 V HN 0.236 nan 8.190 nan 0.000 0.452 884 V N -0.236 119.724 119.914 0.076 0.000 2.287 884 V HA -0.291 3.816 4.120 -0.022 0.000 0.248 884 V C 2.195 178.347 176.094 0.097 0.000 1.053 884 V CA 2.630 64.972 62.300 0.070 0.000 1.027 884 V CB -0.745 31.122 31.823 0.074 0.000 0.646 884 V HN 0.612 nan 8.190 nan 0.000 0.447 885 F N 0.278 120.238 119.950 0.017 0.000 2.095 885 F HA -0.208 4.306 4.527 -0.022 0.000 0.298 885 F C 1.986 177.808 175.800 0.036 0.000 1.104 885 F CA 1.726 59.730 58.000 0.006 0.000 1.232 885 F CB -0.447 38.554 39.000 0.003 0.000 0.987 885 F HN 0.047 nan 8.300 nan 0.000 0.475 886 L N 0.459 121.619 121.223 -0.106 0.000 1.970 886 L HA -0.265 4.062 4.340 -0.022 0.000 0.212 886 L C 2.818 179.578 176.870 -0.183 0.000 1.071 886 L CA 1.750 56.497 54.840 -0.155 0.000 0.751 886 L CB -1.705 40.380 42.059 0.043 0.000 0.889 886 L HN 0.355 nan 8.230 nan 0.000 0.432 887 C N -0.815 118.420 119.300 -0.108 0.000 2.398 887 C HA -0.220 4.227 4.460 -0.022 0.000 0.276 887 C C 2.846 177.727 174.990 -0.183 0.000 1.222 887 C CA 0.775 59.722 59.018 -0.118 0.000 1.746 887 C CB -1.027 26.669 27.740 -0.073 0.000 2.039 887 C HN 0.473 nan 8.230 nan 0.000 0.470 888 L N 0.828 121.947 121.223 -0.174 0.000 2.046 888 L HA -0.158 4.169 4.340 -0.022 0.000 0.208 888 L C 2.901 179.645 176.870 -0.211 0.000 1.077 888 L CA 1.566 56.302 54.840 -0.173 0.000 0.747 888 L CB -0.876 41.181 42.059 -0.004 0.000 0.896 888 L HN 0.362 nan 8.230 nan 0.000 0.432 889 A N 0.261 122.868 122.820 -0.355 0.000 1.892 889 A HA -0.255 4.052 4.320 -0.022 0.000 0.218 889 A C 2.543 179.884 177.584 -0.404 0.000 1.188 889 A CA 2.087 53.840 52.037 -0.475 0.000 0.631 889 A CB -0.797 17.748 19.000 -0.759 0.000 0.822 889 A HN 0.424 nan 8.150 nan 0.000 0.447 890 A N -0.556 122.065 122.820 -0.331 0.000 1.877 890 A HA -0.016 4.291 4.320 -0.022 0.000 0.216 890 A C 2.160 179.594 177.584 -0.250 0.000 1.186 890 A CA 1.755 53.637 52.037 -0.257 0.000 0.620 890 A CB -0.714 18.177 19.000 -0.183 0.000 0.822 890 A HN 0.832 nan 8.150 nan 0.000 0.443 891 L N -1.135 119.900 121.223 -0.312 0.000 1.971 891 L HA -0.136 4.191 4.340 -0.022 0.000 0.215 891 L C 1.538 178.150 176.870 -0.430 0.000 1.072 891 L CA 1.696 56.282 54.840 -0.423 0.000 0.758 891 L CB -0.763 40.918 42.059 -0.630 0.000 0.889 891 L HN 0.458 nan 8.230 nan 0.000 0.433 892 Y N -0.614 119.601 120.300 -0.141 0.000 2.675 892 Y HA 0.400 4.937 4.550 -0.022 0.000 0.446 892 Y C 0.714 176.505 175.900 -0.183 0.000 1.418 892 Y CA -0.221 57.800 58.100 -0.132 0.000 1.932 892 Y CB -0.241 38.156 38.460 -0.105 0.000 1.777 892 Y HN 0.002 nan 8.280 nan 0.000 0.650 893 E N 0.129 120.335 120.200 0.011 0.000 3.909 893 E HA 0.363 4.700 4.350 -0.022 0.000 0.236 893 E C -1.505 174.987 176.600 -0.180 0.000 1.222 893 E CA -0.154 56.164 56.400 -0.136 0.000 1.205 893 E CB 0.509 30.158 29.700 -0.086 0.000 1.249 893 E HN 0.445 nan 8.360 nan 0.000 0.411 894 S N 0.053 115.586 115.700 -0.278 0.000 2.547 894 S HA 0.352 4.809 4.470 -0.022 0.000 0.270 894 S C -0.798 173.588 174.600 -0.356 0.000 1.150 894 S CA -0.659 57.403 58.200 -0.231 0.000 0.850 894 S CB 0.401 63.571 63.200 -0.049 0.000 1.118 894 S HN 0.445 nan 8.310 nan 0.000 0.461 895 W N 1.512 122.860 121.300 0.081 0.000 2.942 895 W HA 0.098 4.745 4.660 -0.023 0.000 0.263 895 W C 2.246 178.837 176.519 0.121 0.000 1.296 895 W CA 0.508 57.916 57.345 0.105 0.000 1.504 895 W CB 0.181 29.768 29.460 0.212 0.000 1.096 895 W HN 0.760 nan 8.180 nan 0.000 0.639 896 S N 0.036 115.919 115.700 0.304 0.000 2.412 896 S HA -0.052 4.404 4.470 -0.022 0.000 0.223 896 S C 1.634 176.320 174.600 0.143 0.000 1.048 896 S CA 0.467 58.851 58.200 0.307 0.000 0.954 896 S CB -0.811 62.614 63.200 0.374 0.000 0.840 896 S HN 0.170 nan 8.310 nan 0.000 0.503 897 I N 3.423 124.020 120.570 0.044 0.000 2.185 897 I HA -0.149 4.008 4.170 -0.022 0.000 0.246 897 I C -0.716 175.402 176.117 0.003 0.000 1.088 897 I CA 1.462 62.740 61.300 -0.037 0.000 1.347 897 I CB -1.427 36.456 38.000 -0.195 0.000 1.041 897 I HN 0.273 nan 8.210 nan 0.000 0.415 898 P HA -0.238 nan 4.420 nan 0.000 0.217 898 P C 1.704 179.078 177.300 0.123 0.000 1.151 898 P CA 1.868 65.019 63.100 0.085 0.000 0.849 898 P CB -0.297 31.397 31.700 -0.009 0.000 0.787 899 F N 1.243 121.320 119.950 0.210 0.000 2.126 899 F HA -0.223 4.291 4.527 -0.022 0.000 0.299 899 F C 2.799 178.608 175.800 0.015 0.000 1.096 899 F CA 1.491 59.552 58.000 0.102 0.000 1.255 899 F CB -1.044 37.998 39.000 0.071 0.000 0.997 899 F HN 0.038 nan 8.300 nan 0.000 0.479 900 S N -0.141 115.707 115.700 0.246 0.000 2.400 900 S HA -0.203 4.254 4.470 -0.022 0.000 0.232 900 S C 1.980 176.694 174.600 0.190 0.000 1.025 900 S CA 1.318 59.655 58.200 0.228 0.000 0.993 900 S CB -1.023 62.388 63.200 0.351 0.000 0.808 900 S HN 0.336 nan 8.310 nan 0.000 0.478 901 V N 0.653 120.671 119.914 0.174 0.000 2.725 901 V HA 0.206 4.313 4.120 -0.022 0.000 0.247 901 V C 2.116 178.270 176.094 0.101 0.000 1.058 901 V CA 1.309 63.707 62.300 0.162 0.000 1.080 901 V CB -0.550 31.384 31.823 0.185 0.000 0.713 901 V HN 0.529 nan 8.190 nan 0.000 0.465 902 M N -0.264 119.395 119.600 0.098 0.000 2.394 902 M HA 0.059 4.526 4.480 -0.022 0.000 0.264 902 M C 1.830 178.123 176.300 -0.011 0.000 1.073 902 M CA 1.460 56.810 55.300 0.084 0.000 1.111 902 M CB -0.195 32.506 32.600 0.168 0.000 1.401 902 M HN 0.322 nan 8.290 nan 0.000 0.448 903 L N -0.421 120.684 121.223 -0.196 0.000 2.610 903 L HA -0.071 4.256 4.340 -0.022 0.000 0.232 903 L C 1.938 178.592 176.870 -0.361 0.000 1.149 903 L CA 0.009 54.551 54.840 -0.496 0.000 0.872 903 L CB -0.302 40.975 42.059 -1.304 0.000 0.992 903 L HN 0.123 nan 8.230 nan 0.000 0.447 904 V N -1.692 118.185 119.914 -0.062 0.000 2.591 904 V HA -0.171 3.936 4.120 -0.022 0.000 0.249 904 V C 2.429 178.610 176.094 0.144 0.000 1.053 904 V CA 0.830 63.245 62.300 0.193 0.000 1.068 904 V CB -0.094 31.861 31.823 0.221 0.000 0.689 904 V HN 0.179 nan 8.190 nan 0.000 0.462 905 V N 0.751 120.712 119.914 0.078 0.000 2.242 905 V HA -0.306 3.801 4.120 -0.022 0.000 0.257 905 V C 0.275 176.398 176.094 0.049 0.000 1.073 905 V CA 3.130 65.460 62.300 0.050 0.000 1.058 905 V CB -2.109 29.725 31.823 0.020 0.000 0.664 905 V HN 0.526 nan 8.190 nan 0.000 0.451 906 P HA -0.068 nan 4.420 nan 0.000 0.220 906 P C 1.693 179.003 177.300 0.017 0.000 1.148 906 P CA 0.936 64.032 63.100 -0.008 0.000 0.803 906 P CB -0.091 31.538 31.700 -0.118 0.000 0.782 907 L N -0.984 120.286 121.223 0.078 0.000 2.131 907 L HA -0.057 4.270 4.340 -0.022 0.000 0.210 907 L C 2.450 179.371 176.870 0.084 0.000 1.092 907 L CA 2.122 57.013 54.840 0.085 0.000 0.759 907 L CB -1.526 40.632 42.059 0.165 0.000 0.903 907 L HN 0.040 nan 8.230 nan 0.000 0.435 908 G N -1.674 107.176 108.800 0.083 0.000 2.441 908 G HA2 -0.052 3.895 3.960 -0.022 0.000 0.212 908 G HA3 -0.052 3.895 3.960 -0.022 0.000 0.212 908 G C 1.532 176.467 174.900 0.059 0.000 1.164 908 G CA 0.604 45.750 45.100 0.075 0.000 0.811 908 G HN 0.182 nan 8.290 nan 0.000 0.535 909 V N 1.213 121.160 119.914 0.055 0.000 2.343 909 V HA -0.160 3.947 4.120 -0.022 0.000 0.247 909 V C 2.586 178.744 176.094 0.108 0.000 1.051 909 V CA 1.512 63.858 62.300 0.076 0.000 1.036 909 V CB -0.439 31.441 31.823 0.096 0.000 0.654 909 V HN 0.362 nan 8.190 nan 0.000 0.451 910 I N 1.641 122.257 120.570 0.077 0.000 2.151 910 I HA -0.189 3.967 4.170 -0.022 0.000 0.243 910 I C 2.272 178.433 176.117 0.073 0.000 1.080 910 I CA 2.168 63.510 61.300 0.070 0.000 1.339 910 I CB -0.800 37.214 38.000 0.025 0.000 1.039 910 I HN 0.242 nan 8.210 nan 0.000 0.409 911 G N -0.700 108.137 108.800 0.063 0.000 2.484 911 G HA2 -0.076 3.871 3.960 -0.022 0.000 0.218 911 G HA3 -0.076 3.871 3.960 -0.022 0.000 0.218 911 G C 1.675 176.625 174.900 0.083 0.000 1.130 911 G CA 0.606 45.737 45.100 0.051 0.000 0.784 911 G HN 0.610 nan 8.290 nan 0.000 0.543 912 A N 0.875 123.764 122.820 0.116 0.000 1.855 912 A HA 0.117 4.424 4.320 -0.022 0.000 0.215 912 A C 2.381 180.185 177.584 0.365 0.000 1.191 912 A CA 1.127 53.281 52.037 0.194 0.000 0.613 912 A CB -0.441 18.582 19.000 0.039 0.000 0.829 912 A HN 0.321 nan 8.150 nan 0.000 0.442 913 L N -0.877 120.540 121.223 0.322 0.000 2.046 913 L HA -0.165 4.162 4.340 -0.022 0.000 0.208 913 L C 2.596 179.533 176.870 0.112 0.000 1.077 913 L CA 1.354 56.318 54.840 0.206 0.000 0.747 913 L CB -0.540 41.614 42.059 0.158 0.000 0.896 913 L HN 0.484 nan 8.230 nan 0.000 0.432 914 L N -0.291 120.985 121.223 0.089 0.000 2.079 914 L HA -0.217 4.109 4.340 -0.022 0.000 0.210 914 L C 2.626 179.507 176.870 0.017 0.000 1.081 914 L CA 1.531 56.377 54.840 0.010 0.000 0.752 914 L CB -0.250 41.760 42.059 -0.083 0.000 0.896 914 L HN 0.219 nan 8.230 nan 0.000 0.433 915 A N -0.621 122.239 122.820 0.065 0.000 1.872 915 A HA -0.025 4.282 4.320 -0.022 0.000 0.214 915 A C 2.403 180.052 177.584 0.108 0.000 1.187 915 A CA 1.308 53.395 52.037 0.084 0.000 0.614 915 A CB -0.911 18.149 19.000 0.099 0.000 0.826 915 A HN 0.519 nan 8.150 nan 0.000 0.442 916 A N -0.834 122.039 122.820 0.088 0.000 1.930 916 A HA -0.026 4.281 4.320 -0.022 0.000 0.217 916 A C 2.280 179.839 177.584 -0.042 0.000 1.175 916 A CA 2.186 54.197 52.037 -0.043 0.000 0.627 916 A CB -1.122 17.672 19.000 -0.343 0.000 0.815 916 A HN 0.429 nan 8.150 nan 0.000 0.443 917 T N -0.752 113.818 114.554 0.027 0.000 2.701 917 T HA -0.075 4.262 4.350 -0.022 0.000 0.263 917 T C 1.568 176.333 174.700 0.108 0.000 1.040 917 T CA 1.491 63.623 62.100 0.053 0.000 1.147 917 T CB -0.452 68.492 68.868 0.128 0.000 0.865 917 T HN 0.450 nan 8.240 nan 0.000 0.426 918 F N 0.908 120.837 119.950 -0.035 0.000 2.325 918 F HA 0.063 4.577 4.527 -0.022 0.000 0.299 918 F C 2.558 178.347 175.800 -0.019 0.000 1.090 918 F CA 0.335 58.324 58.000 -0.019 0.000 1.392 918 F CB 0.045 39.044 39.000 -0.001 0.000 1.053 918 F HN -0.165 nan 8.300 nan 0.000 0.521 919 R N 0.454 121.042 120.500 0.146 0.000 2.313 919 R HA 0.087 4.414 4.340 -0.022 0.000 0.199 919 R C 1.544 177.851 176.300 0.011 0.000 0.958 919 R CA 0.756 56.896 56.100 0.066 0.000 1.047 919 R CB -0.871 29.463 30.300 0.057 0.000 0.955 919 R HN 0.371 nan 8.270 nan 0.000 0.481 920 G N 1.115 109.906 108.800 -0.015 0.000 2.187 920 G HA2 -0.261 3.686 3.960 -0.022 0.000 0.261 920 G HA3 -0.261 3.686 3.960 -0.022 0.000 0.261 920 G C 0.339 175.202 174.900 -0.062 0.000 1.000 920 G CA 0.169 45.237 45.100 -0.053 0.000 0.718 920 G HN 0.179 nan 8.290 nan 0.000 0.519 921 L N -0.267 120.917 121.223 -0.065 0.000 2.464 921 L HA 0.743 5.070 4.340 -0.022 0.000 0.224 921 L C 1.087 177.865 176.870 -0.153 0.000 1.219 921 L CA 0.933 55.721 54.840 -0.085 0.000 0.831 921 L CB 0.914 42.932 42.059 -0.069 0.000 1.284 921 L HN 0.275 nan 8.230 nan 0.000 0.522 922 T N 0.345 114.797 114.554 -0.171 0.000 2.907 922 T HA 0.252 4.589 4.350 -0.022 0.000 0.292 922 T C -0.245 174.258 174.700 -0.329 0.000 1.043 922 T CA -0.704 61.263 62.100 -0.222 0.000 1.003 922 T CB 0.838 69.623 68.868 -0.138 0.000 1.084 922 T HN 0.523 nan 8.240 nan 0.000 0.483 923 N N 3.521 121.980 118.700 -0.401 0.000 2.466 923 N HA 0.179 4.906 4.740 -0.022 0.000 0.263 923 N C -0.577 174.839 175.510 -0.155 0.000 1.178 923 N CA -0.273 52.522 53.050 -0.424 0.000 0.983 923 N CB -0.131 38.088 38.487 -0.446 0.000 1.331 923 N HN 0.721 nan 8.380 nan 0.000 0.500 924 D N 0.150 120.544 120.400 -0.010 0.000 2.650 924 D HA 0.203 4.829 4.640 -0.022 0.000 0.255 924 D C 1.135 177.496 176.300 0.103 0.000 1.135 924 D CA -0.790 53.239 54.000 0.047 0.000 1.099 924 D CB 0.114 40.966 40.800 0.087 0.000 1.273 924 D HN -0.007 nan 8.370 nan 0.000 0.628 925 V N -0.889 119.035 119.914 0.016 0.000 2.295 925 V HA -0.278 3.829 4.120 -0.022 0.000 0.246 925 V C 2.014 177.939 176.094 -0.282 0.000 1.049 925 V CA 1.636 63.833 62.300 -0.171 0.000 1.024 925 V CB -1.071 30.513 31.823 -0.398 0.000 0.648 925 V HN 0.506 nan 8.190 nan 0.000 0.447 926 Y N -1.462 118.774 120.300 -0.107 0.000 2.333 926 Y HA -0.199 4.338 4.550 -0.021 0.000 0.290 926 Y C 2.189 178.071 175.900 -0.030 0.000 1.144 926 Y CA 1.805 59.820 58.100 -0.141 0.000 1.228 926 Y CB -0.440 37.978 38.460 -0.070 0.000 0.985 926 Y HN 0.249 nan 8.280 nan 0.000 0.542 927 F N 0.705 120.683 119.950 0.047 0.000 2.187 927 F HA -0.158 4.356 4.527 -0.022 0.000 0.295 927 F C 2.170 177.980 175.800 0.018 0.000 1.091 927 F CA 1.288 59.301 58.000 0.022 0.000 1.308 927 F CB -0.312 38.681 39.000 -0.011 0.000 1.030 927 F HN -0.070 nan 8.300 nan 0.000 0.487 928 Q N -0.105 119.764 119.800 0.115 0.000 2.030 928 Q HA -0.175 4.151 4.340 -0.022 0.000 0.204 928 Q C 2.245 178.262 176.000 0.030 0.000 0.986 928 Q CA 2.542 58.392 55.803 0.080 0.000 0.843 928 Q CB -0.620 28.250 28.738 0.220 0.000 0.904 928 Q HN 0.322 nan 8.270 nan 0.000 0.420 929 V N 0.067 119.979 119.914 -0.003 0.000 2.407 929 V HA -0.212 3.895 4.120 -0.022 0.000 0.248 929 V C 2.111 178.233 176.094 0.047 0.000 1.055 929 V CA 1.823 64.130 62.300 0.012 0.000 1.049 929 V CB -1.369 30.269 31.823 -0.307 0.000 0.662 929 V HN 0.568 nan 8.190 nan 0.000 0.455 930 G N -0.028 108.752 108.800 -0.033 0.000 2.446 930 G HA2 -0.231 3.716 3.960 -0.022 0.000 0.217 930 G HA3 -0.231 3.716 3.960 -0.022 0.000 0.217 930 G C 1.609 176.458 174.900 -0.084 0.000 1.168 930 G CA 1.031 46.109 45.100 -0.037 0.000 0.771 930 G HN 0.442 nan 8.290 nan 0.000 0.551 931 L N -0.031 121.049 121.223 -0.238 0.000 2.013 931 L HA -0.108 4.219 4.340 -0.022 0.000 0.212 931 L C 2.995 179.841 176.870 -0.041 0.000 1.073 931 L CA 0.895 55.611 54.840 -0.207 0.000 0.753 931 L CB -0.405 41.506 42.059 -0.247 0.000 0.890 931 L HN 0.230 nan 8.230 nan 0.000 0.432 932 L N -1.183 120.059 121.223 0.032 0.000 2.046 932 L HA -0.226 4.101 4.340 -0.022 0.000 0.208 932 L C 2.591 179.559 176.870 0.164 0.000 1.077 932 L CA 1.527 56.408 54.840 0.068 0.000 0.747 932 L CB -1.022 41.146 42.059 0.181 0.000 0.896 932 L HN 0.257 nan 8.230 nan 0.000 0.432 933 T N -0.784 113.946 114.554 0.294 0.000 2.720 933 T HA -0.196 4.141 4.350 -0.022 0.000 0.268 933 T C 1.902 176.714 174.700 0.186 0.000 1.037 933 T CA 2.072 64.350 62.100 0.297 0.000 1.144 933 T CB -0.259 68.767 68.868 0.263 0.000 0.864 933 T HN 0.410 nan 8.240 nan 0.000 0.444 934 T N 1.991 116.626 114.554 0.135 0.000 2.737 934 T HA 0.024 4.361 4.350 -0.022 0.000 0.265 934 T C 1.984 176.732 174.700 0.080 0.000 1.038 934 T CA 1.018 63.186 62.100 0.114 0.000 1.144 934 T CB -0.409 68.499 68.868 0.067 0.000 0.866 934 T HN 0.346 nan 8.240 nan 0.000 0.434 935 I N 1.521 122.118 120.570 0.045 0.000 2.226 935 I HA -0.093 4.064 4.170 -0.022 0.000 0.245 935 I C 2.925 179.055 176.117 0.022 0.000 1.100 935 I CA 1.250 62.563 61.300 0.022 0.000 1.374 935 I CB -1.015 36.971 38.000 -0.022 0.000 1.057 935 I HN 0.301 nan 8.210 nan 0.000 0.413 936 G N 1.260 110.073 108.800 0.022 0.000 2.599 936 G HA2 -0.285 3.661 3.960 -0.022 0.000 0.219 936 G HA3 -0.285 3.661 3.960 -0.022 0.000 0.219 936 G C 1.736 176.669 174.900 0.055 0.000 1.193 936 G CA 1.006 46.133 45.100 0.045 0.000 0.778 936 G HN 0.301 nan 8.290 nan 0.000 0.589 937 L N 0.187 121.445 121.223 0.058 0.000 2.056 937 L HA -0.062 4.265 4.340 -0.022 0.000 0.207 937 L C 3.247 180.148 176.870 0.052 0.000 1.078 937 L CA 1.193 56.055 54.840 0.036 0.000 0.749 937 L CB -0.260 41.812 42.059 0.022 0.000 0.901 937 L HN 0.223 nan 8.230 nan 0.000 0.433 938 S N -0.415 115.327 115.700 0.071 0.000 2.374 938 S HA -0.269 4.188 4.470 -0.022 0.000 0.227 938 S C 2.024 176.677 174.600 0.088 0.000 1.037 938 S CA 1.422 59.675 58.200 0.089 0.000 1.024 938 S CB -0.273 62.985 63.200 0.096 0.000 0.861 938 S HN 0.573 nan 8.310 nan 0.000 0.456 939 A N 1.388 124.248 122.820 0.067 0.000 1.854 939 A HA -0.073 4.234 4.320 -0.022 0.000 0.214 939 A C 1.965 179.585 177.584 0.061 0.000 1.192 939 A CA 1.967 54.044 52.037 0.067 0.000 0.611 939 A CB -0.654 18.372 19.000 0.044 0.000 0.832 939 A HN 0.414 nan 8.150 nan 0.000 0.442 940 K N 0.466 120.891 120.400 0.041 0.000 2.034 940 K HA -0.222 4.085 4.320 -0.022 0.000 0.214 940 K C 1.726 178.336 176.600 0.017 0.000 1.051 940 K CA 2.203 58.505 56.287 0.025 0.000 0.931 940 K CB -0.377 32.129 32.500 0.010 0.000 0.715 940 K HN 0.444 nan 8.250 nan 0.000 0.446 941 N N 0.110 118.821 118.700 0.019 0.000 2.104 941 N HA -0.159 4.568 4.740 -0.022 0.000 0.190 941 N C 1.602 177.121 175.510 0.015 0.000 1.024 941 N CA 1.649 54.701 53.050 0.005 0.000 0.853 941 N CB -0.544 37.958 38.487 0.024 0.000 1.008 941 N HN 0.403 nan 8.380 nan 0.000 0.424 942 A N 0.852 123.709 122.820 0.061 0.000 1.874 942 A HA 0.041 4.348 4.320 -0.022 0.000 0.214 942 A C 2.359 179.997 177.584 0.090 0.000 1.189 942 A CA 0.583 52.674 52.037 0.089 0.000 0.615 942 A CB -0.598 18.491 19.000 0.149 0.000 0.830 942 A HN 0.175 nan 8.150 nan 0.000 0.443 943 I N -0.176 120.458 120.570 0.107 0.000 2.118 943 I HA -0.328 3.829 4.170 -0.022 0.000 0.241 943 I C 2.433 178.640 176.117 0.149 0.000 1.070 943 I CA 1.496 62.889 61.300 0.156 0.000 1.327 943 I CB -0.355 37.701 38.000 0.095 0.000 1.034 943 I HN 0.298 nan 8.210 nan 0.000 0.405 944 L N -0.007 121.259 121.223 0.073 0.000 2.046 944 L HA -0.222 4.105 4.340 -0.022 0.000 0.208 944 L C 2.475 179.366 176.870 0.035 0.000 1.077 944 L CA 1.421 56.301 54.840 0.067 0.000 0.747 944 L CB -0.398 41.633 42.059 -0.046 0.000 0.896 944 L HN 0.209 nan 8.230 nan 0.000 0.432 945 I N -1.070 119.465 120.570 -0.057 0.000 2.142 945 I HA -0.287 3.870 4.170 -0.022 0.000 0.240 945 I C 2.427 178.480 176.117 -0.107 0.000 1.078 945 I CA 1.180 62.418 61.300 -0.104 0.000 1.343 945 I CB -0.248 37.691 38.000 -0.102 0.000 1.046 945 I HN -0.013 nan 8.210 nan 0.000 0.405 946 V N 0.711 120.550 119.914 -0.126 0.000 2.287 946 V HA -0.311 3.795 4.120 -0.022 0.000 0.248 946 V C 2.506 178.464 176.094 -0.227 0.000 1.053 946 V CA 2.256 64.346 62.300 -0.350 0.000 1.027 946 V CB -0.690 31.004 31.823 -0.215 0.000 0.646 946 V HN 0.466 nan 8.190 nan 0.000 0.447 947 E N 0.322 120.601 120.200 0.132 0.000 2.070 947 E HA -0.249 4.088 4.350 -0.022 0.000 0.197 947 E C 1.884 178.562 176.600 0.131 0.000 1.004 947 E CA 1.914 58.472 56.400 0.263 0.000 0.805 947 E CB -0.455 29.421 29.700 0.292 0.000 0.744 947 E HN 0.494 nan 8.360 nan 0.000 0.451 948 F N 0.371 120.274 119.950 -0.078 0.000 2.171 948 F HA -0.038 4.476 4.527 -0.022 0.000 0.300 948 F C 2.351 178.073 175.800 -0.131 0.000 1.090 948 F CA 1.264 59.211 58.000 -0.089 0.000 1.293 948 F CB -0.886 38.064 39.000 -0.084 0.000 1.013 948 F HN 0.185 nan 8.300 nan 0.000 0.486 949 A N -0.667 122.118 122.820 -0.058 0.000 1.898 949 A HA -0.192 4.115 4.320 -0.022 0.000 0.216 949 A C 2.161 179.652 177.584 -0.155 0.000 1.181 949 A CA 1.707 53.625 52.037 -0.198 0.000 0.620 949 A CB -0.530 18.155 19.000 -0.524 0.000 0.819 949 A HN 0.179 nan 8.150 nan 0.000 0.442 950 K N 0.488 120.783 120.400 -0.176 0.000 2.097 950 K HA -0.105 4.202 4.320 -0.022 0.000 0.205 950 K C 1.293 177.877 176.600 -0.026 0.000 1.050 950 K CA 1.754 58.018 56.287 -0.038 0.000 0.938 950 K CB -0.401 32.084 32.500 -0.025 0.000 0.718 950 K HN 0.427 nan 8.250 nan 0.000 0.442 951 D N 0.168 120.535 120.400 -0.055 0.000 2.117 951 D HA -0.104 4.523 4.640 -0.022 0.000 0.198 951 D C 1.861 178.115 176.300 -0.077 0.000 0.982 951 D CA 0.958 54.909 54.000 -0.082 0.000 0.828 951 D CB -0.059 40.645 40.800 -0.159 0.000 0.967 951 D HN 0.174 nan 8.370 nan 0.000 0.464 952 L N 0.102 121.280 121.223 -0.074 0.000 2.353 952 L HA -0.084 4.243 4.340 -0.022 0.000 0.220 952 L C 2.399 179.254 176.870 -0.024 0.000 1.133 952 L CA 0.519 55.331 54.840 -0.047 0.000 0.798 952 L CB -0.090 41.952 42.059 -0.028 0.000 0.922 952 L HN 0.032 nan 8.230 nan 0.000 0.445 953 M N -1.003 118.588 119.600 -0.015 0.000 2.412 953 M HA -0.097 4.370 4.480 -0.022 0.000 0.263 953 M C 1.510 177.803 176.300 -0.012 0.000 1.122 953 M CA 1.414 56.714 55.300 0.001 0.000 1.179 953 M CB 0.177 32.796 32.600 0.031 0.000 1.335 953 M HN 0.065 nan 8.290 nan 0.000 0.465 954 D N 0.069 120.458 120.400 -0.018 0.000 2.137 954 D HA -0.097 4.530 4.640 -0.022 0.000 0.202 954 D C 1.691 177.976 176.300 -0.024 0.000 0.970 954 D CA 1.164 55.151 54.000 -0.022 0.000 0.837 954 D CB 0.011 40.797 40.800 -0.022 0.000 0.981 954 D HN 0.205 nan 8.370 nan 0.000 0.475 955 K N -0.118 120.262 120.400 -0.033 0.000 2.314 955 K HA 0.080 4.387 4.320 -0.022 0.000 0.198 955 K C 1.014 177.595 176.600 -0.031 0.000 1.045 955 K CA 0.580 56.845 56.287 -0.037 0.000 0.988 955 K CB 0.466 32.934 32.500 -0.053 0.000 0.783 955 K HN 0.031 nan 8.250 nan 0.000 0.484 956 E N -1.601 118.582 120.200 -0.028 0.000 2.572 956 E HA 0.114 4.450 4.350 -0.022 0.000 0.220 956 E C 0.184 176.776 176.600 -0.014 0.000 0.945 956 E CA 0.303 56.690 56.400 -0.022 0.000 1.070 956 E CB 1.471 31.156 29.700 -0.025 0.000 1.090 956 E HN 0.331 nan 8.360 nan 0.000 0.506 957 G N 2.528 111.321 108.800 -0.012 0.000 2.176 957 G HA2 -0.295 3.651 3.960 -0.022 0.000 0.252 957 G HA3 -0.295 3.651 3.960 -0.022 0.000 0.252 957 G C 0.075 174.973 174.900 -0.003 0.000 1.024 957 G CA 0.386 45.482 45.100 -0.007 0.000 0.755 957 G HN 0.011 nan 8.290 nan 0.000 0.507 958 K N 0.480 120.878 120.400 -0.003 0.000 2.258 958 K HA 0.540 4.847 4.320 -0.022 0.000 0.264 958 K C 1.391 177.995 176.600 0.007 0.000 1.007 958 K CA 0.778 57.065 56.287 0.001 0.000 0.941 958 K CB 0.494 32.995 32.500 0.001 0.000 0.966 958 K HN 0.455 nan 8.250 nan 0.000 0.480 959 G N 1.432 110.237 108.800 0.008 0.000 2.594 959 G HA2 0.072 4.019 3.960 -0.022 0.000 0.243 959 G HA3 0.072 4.019 3.960 -0.022 0.000 0.243 959 G C 0.696 175.611 174.900 0.025 0.000 1.229 959 G CA -0.446 44.661 45.100 0.011 0.000 0.843 959 G HN 0.599 nan 8.290 nan 0.000 0.578 960 L N 2.030 123.270 121.223 0.028 0.000 1.989 960 L HA -0.120 4.206 4.340 -0.022 0.000 0.211 960 L C 2.584 179.492 176.870 0.064 0.000 1.071 960 L CA 2.296 57.172 54.840 0.060 0.000 0.749 960 L CB -0.706 41.363 42.059 0.017 0.000 0.890 960 L HN 0.671 nan 8.230 nan 0.000 0.431 961 I N -1.859 118.728 120.570 0.029 0.000 2.567 961 I HA -0.151 4.005 4.170 -0.022 0.000 0.257 961 I C 2.299 178.421 176.117 0.009 0.000 1.184 961 I CA 1.752 63.061 61.300 0.016 0.000 1.451 961 I CB -1.071 36.929 38.000 0.000 0.000 1.089 961 I HN 0.495 nan 8.210 nan 0.000 0.441 962 E N 1.447 121.654 120.200 0.011 0.000 2.075 962 E HA -0.016 4.321 4.350 -0.022 0.000 0.190 962 E C 2.347 178.951 176.600 0.005 0.000 0.969 962 E CA 0.827 57.229 56.400 0.003 0.000 0.815 962 E CB -0.100 29.601 29.700 0.002 0.000 0.776 962 E HN 0.512 nan 8.360 nan 0.000 0.457 963 A N 0.840 123.671 122.820 0.018 0.000 1.877 963 A HA -0.193 4.114 4.320 -0.022 0.000 0.216 963 A C 2.455 180.038 177.584 -0.002 0.000 1.186 963 A CA 2.428 54.473 52.037 0.013 0.000 0.620 963 A CB -1.351 17.664 19.000 0.024 0.000 0.822 963 A HN 0.512 nan 8.150 nan 0.000 0.443 964 T N -1.527 113.035 114.554 0.014 0.000 2.833 964 T HA -0.079 4.257 4.350 -0.022 0.000 0.269 964 T C 1.781 176.461 174.700 -0.034 0.000 1.054 964 T CA 1.483 63.573 62.100 -0.016 0.000 1.135 964 T CB -0.495 68.414 68.868 0.068 0.000 0.869 964 T HN 0.285 nan 8.240 nan 0.000 0.466 965 L N 0.673 121.881 121.223 -0.024 0.000 2.109 965 L HA -0.016 4.311 4.340 -0.022 0.000 0.207 965 L C 2.714 179.561 176.870 -0.039 0.000 1.086 965 L CA 1.352 56.168 54.840 -0.040 0.000 0.760 965 L CB -0.407 41.629 42.059 -0.040 0.000 0.910 965 L HN 0.233 nan 8.230 nan 0.000 0.437 966 D N 0.016 120.404 120.400 -0.020 0.000 2.144 966 D HA -0.126 4.501 4.640 -0.022 0.000 0.200 966 D C 2.159 178.466 176.300 0.013 0.000 0.978 966 D CA 1.391 55.390 54.000 -0.002 0.000 0.833 966 D CB 0.189 40.998 40.800 0.015 0.000 0.961 966 D HN 0.311 nan 8.370 nan 0.000 0.470 967 A N 0.933 123.757 122.820 0.007 0.000 1.855 967 A HA -0.123 4.184 4.320 -0.022 0.000 0.215 967 A C 2.421 179.958 177.584 -0.078 0.000 1.191 967 A CA 1.145 53.186 52.037 0.008 0.000 0.613 967 A CB -0.947 18.043 19.000 -0.016 0.000 0.829 967 A HN 0.161 nan 8.150 nan 0.000 0.442 968 V N 0.267 120.130 119.914 -0.084 0.000 2.490 968 V HA -0.212 3.895 4.120 -0.022 0.000 0.250 968 V C 2.589 178.632 176.094 -0.085 0.000 1.061 968 V CA 2.445 64.684 62.300 -0.101 0.000 1.064 968 V CB -0.715 31.043 31.823 -0.108 0.000 0.670 968 V HN 0.618 nan 8.190 nan 0.000 0.461 969 R N 0.523 120.987 120.500 -0.060 0.000 2.057 969 R HA -0.101 4.226 4.340 -0.022 0.000 0.229 969 R C 2.314 178.594 176.300 -0.033 0.000 1.136 969 R CA 2.268 58.344 56.100 -0.039 0.000 0.952 969 R CB -0.611 29.666 30.300 -0.038 0.000 0.848 969 R HN 0.712 nan 8.270 nan 0.000 0.430 970 M N -0.428 119.154 119.600 -0.031 0.000 2.549 970 M HA 0.006 4.473 4.480 -0.022 0.000 0.260 970 M C 0.822 177.039 176.300 -0.138 0.000 1.076 970 M CA 1.440 56.723 55.300 -0.029 0.000 1.090 970 M CB -0.035 32.598 32.600 0.055 0.000 1.418 970 M HN -0.061 nan 8.290 nan 0.000 0.486 971 R N 0.538 120.920 120.500 -0.198 0.000 2.437 971 R HA 0.269 4.596 4.340 -0.022 0.000 0.257 971 R C 2.029 178.229 176.300 -0.166 0.000 0.927 971 R CA -0.128 55.814 56.100 -0.263 0.000 1.078 971 R CB 0.232 30.294 30.300 -0.397 0.000 1.161 971 R HN 0.386 nan 8.270 nan 0.000 0.529 972 L N 1.536 122.696 121.223 -0.105 0.000 2.046 972 L HA -0.157 4.170 4.340 -0.022 0.000 0.208 972 L C 2.242 179.069 176.870 -0.072 0.000 1.077 972 L CA 1.842 56.647 54.840 -0.059 0.000 0.747 972 L CB -0.444 41.604 42.059 -0.018 0.000 0.896 972 L HN 0.179 nan 8.230 nan 0.000 0.432 973 R N 0.311 120.751 120.500 -0.100 0.000 2.088 973 R HA -0.135 4.192 4.340 -0.022 0.000 0.232 973 R C -0.238 175.871 176.300 -0.318 0.000 1.136 973 R CA 2.223 58.206 56.100 -0.195 0.000 0.926 973 R CB -1.314 28.887 30.300 -0.164 0.000 0.837 973 R HN 0.348 nan 8.270 nan 0.000 0.429 974 P HA -0.163 nan 4.420 nan 0.000 0.216 974 P C 1.445 178.633 177.300 -0.187 0.000 1.150 974 P CA 1.268 64.222 63.100 -0.242 0.000 0.837 974 P CB -0.245 31.338 31.700 -0.195 0.000 0.786 975 I N -0.827 119.661 120.570 -0.138 0.000 2.127 975 I HA -0.204 3.953 4.170 -0.022 0.000 0.241 975 I C 2.446 178.537 176.117 -0.044 0.000 1.075 975 I CA 1.295 62.552 61.300 -0.071 0.000 1.334 975 I CB -1.983 35.994 38.000 -0.039 0.000 1.040 975 I HN -0.063 nan 8.210 nan 0.000 0.405 976 L N -0.272 120.917 121.223 -0.056 0.000 2.141 976 L HA -0.105 4.222 4.340 -0.022 0.000 0.209 976 L C 2.628 179.465 176.870 -0.056 0.000 1.094 976 L CA 1.587 56.431 54.840 0.006 0.000 0.763 976 L CB -0.685 41.425 42.059 0.086 0.000 0.908 976 L HN 0.182 nan 8.230 nan 0.000 0.437 977 M N -1.876 117.561 119.600 -0.273 0.000 2.099 977 M HA -0.173 4.294 4.480 -0.022 0.000 0.262 977 M C 2.183 178.431 176.300 -0.087 0.000 1.067 977 M CA 1.800 56.914 55.300 -0.309 0.000 1.124 977 M CB -0.674 31.613 32.600 -0.522 0.000 1.353 977 M HN 0.177 nan 8.290 nan 0.000 0.410 978 T N 0.378 114.889 114.554 -0.072 0.000 2.708 978 T HA -0.102 4.235 4.350 -0.022 0.000 0.266 978 T C 1.897 176.653 174.700 0.092 0.000 1.037 978 T CA 1.831 63.928 62.100 -0.006 0.000 1.146 978 T CB -0.198 68.645 68.868 -0.042 0.000 0.865 978 T HN 0.329 nan 8.240 nan 0.000 0.435 979 S N 0.966 116.724 115.700 0.097 0.000 2.453 979 S HA 0.068 4.525 4.470 -0.022 0.000 0.231 979 S C 1.801 176.501 174.600 0.167 0.000 1.005 979 S CA 0.260 58.559 58.200 0.165 0.000 0.949 979 S CB -0.262 63.021 63.200 0.138 0.000 0.774 979 S HN 0.200 nan 8.310 nan 0.000 0.510 980 L N 1.863 123.173 121.223 0.146 0.000 2.049 980 L HA 0.158 4.485 4.340 -0.022 0.000 0.203 980 L C 2.411 179.374 176.870 0.156 0.000 1.074 980 L CA 1.679 56.613 54.840 0.156 0.000 0.749 980 L CB -0.979 41.194 42.059 0.190 0.000 0.907 980 L HN 0.231 nan 8.230 nan 0.000 0.439 981 A N -1.158 121.758 122.820 0.160 0.000 1.933 981 A HA -0.253 4.054 4.320 -0.022 0.000 0.218 981 A C 2.225 179.945 177.584 0.226 0.000 1.175 981 A CA 1.881 54.020 52.037 0.170 0.000 0.628 981 A CB -1.029 18.058 19.000 0.145 0.000 0.814 981 A HN 0.505 nan 8.150 nan 0.000 0.444 982 F N 0.319 120.303 119.950 0.056 0.000 2.128 982 F HA 0.004 4.518 4.527 -0.022 0.000 0.295 982 F C 1.964 177.799 175.800 0.059 0.000 1.100 982 F CA 0.845 58.878 58.000 0.054 0.000 1.260 982 F CB -0.384 38.645 39.000 0.048 0.000 1.009 982 F HN 0.155 nan 8.300 nan 0.000 0.476 983 I N -0.207 120.374 120.570 0.018 0.000 2.226 983 I HA -0.319 3.837 4.170 -0.022 0.000 0.245 983 I C 2.249 178.336 176.117 -0.050 0.000 1.100 983 I CA 1.235 62.486 61.300 -0.082 0.000 1.374 983 I CB -0.467 37.540 38.000 0.012 0.000 1.057 983 I HN 0.109 nan 8.210 nan 0.000 0.413 984 L N 0.106 121.343 121.223 0.024 0.000 2.291 984 L HA -0.064 4.263 4.340 -0.022 0.000 0.214 984 L C 2.483 179.369 176.870 0.027 0.000 1.120 984 L CA 1.086 55.948 54.840 0.036 0.000 0.799 984 L CB -0.780 41.323 42.059 0.074 0.000 0.925 984 L HN 0.293 nan 8.230 nan 0.000 0.446 985 G N -1.080 107.737 108.800 0.029 0.000 2.511 985 G HA2 -0.091 3.856 3.960 -0.022 0.000 0.217 985 G HA3 -0.091 3.856 3.960 -0.022 0.000 0.217 985 G C 1.452 176.338 174.900 -0.024 0.000 1.133 985 G CA 0.300 45.422 45.100 0.038 0.000 0.792 985 G HN 0.187 nan 8.290 nan 0.000 0.539 986 V N 1.161 121.003 119.914 -0.119 0.000 3.354 986 V HA 0.028 4.135 4.120 -0.022 0.000 0.258 986 V C 2.444 178.496 176.094 -0.070 0.000 1.159 986 V CA 1.082 63.297 62.300 -0.141 0.000 1.125 986 V CB 0.074 31.708 31.823 -0.314 0.000 0.774 986 V HN 0.508 nan 8.190 nan 0.000 0.464 987 M N 1.746 121.319 119.600 -0.046 0.000 2.405 987 M HA -0.271 4.196 4.480 -0.022 0.000 0.256 987 M C -0.579 175.717 176.300 -0.007 0.000 1.067 987 M CA 2.870 58.160 55.300 -0.016 0.000 1.073 987 M CB -1.316 31.286 32.600 0.003 0.000 1.273 987 M HN 0.257 nan 8.290 nan 0.000 0.443 988 P HA -0.003 nan 4.420 nan 0.000 0.225 988 P C 1.472 178.774 177.300 0.003 0.000 1.156 988 P CA 1.058 64.160 63.100 0.003 0.000 0.787 988 P CB -0.198 31.504 31.700 0.003 0.000 0.802 989 L N -1.549 119.675 121.223 0.001 0.000 2.291 989 L HA -0.067 4.259 4.340 -0.022 0.000 0.214 989 L C 2.174 179.041 176.870 -0.004 0.000 1.120 989 L CA 0.762 55.606 54.840 0.006 0.000 0.799 989 L CB -0.683 41.389 42.059 0.021 0.000 0.925 989 L HN -0.120 nan 8.230 nan 0.000 0.446 990 V N -0.217 119.694 119.914 -0.006 0.000 2.255 990 V HA -0.102 4.004 4.120 -0.022 0.000 0.243 990 V C 1.195 177.293 176.094 0.007 0.000 1.038 990 V CA 0.928 63.229 62.300 0.000 0.000 1.008 990 V CB 0.018 31.842 31.823 0.001 0.000 0.645 990 V HN 0.165 nan 8.190 nan 0.000 0.449 991 I N 1.373 121.948 120.570 0.009 0.000 2.276 991 I HA 0.414 4.571 4.170 -0.022 0.000 0.290 991 I C -0.042 176.082 176.117 0.012 0.000 1.109 991 I CA 0.769 62.077 61.300 0.013 0.000 1.229 991 I CB 0.185 38.194 38.000 0.016 0.000 1.452 991 I HN 0.167 nan 8.210 nan 0.000 0.497 992 S N 4.415 120.121 115.700 0.010 0.000 2.540 992 S HA 0.783 5.240 4.470 -0.022 0.000 0.275 992 S C -0.371 174.237 174.600 0.013 0.000 1.123 992 S CA -0.215 57.990 58.200 0.008 0.000 0.907 992 S CB 1.763 64.964 63.200 0.001 0.000 1.081 992 S HN 0.565 nan 8.310 nan 0.000 0.476 993 T N 2.044 116.608 114.554 0.017 0.000 2.888 993 T HA 0.930 5.267 4.350 -0.022 0.000 0.288 993 T C 0.546 175.257 174.700 0.018 0.000 1.063 993 T CA 0.126 62.245 62.100 0.031 0.000 1.010 993 T CB 0.990 69.886 68.868 0.047 0.000 1.214 993 T HN 1.630 nan 8.240 nan 0.000 0.533 994 G N 0.648 109.477 108.800 0.048 0.000 2.508 994 G HA2 0.271 4.218 3.960 -0.022 0.000 0.220 994 G HA3 0.271 4.218 3.960 -0.022 0.000 0.220 994 G C -0.134 174.723 174.900 -0.071 0.000 1.287 994 G CA -0.244 44.867 45.100 0.018 0.000 0.916 994 G HN 1.338 nan 8.290 nan 0.000 0.574 995 A N -0.084 122.493 122.820 -0.406 0.000 2.450 995 A HA 0.662 4.969 4.320 -0.022 0.000 0.255 995 A C 1.960 179.383 177.584 -0.268 0.000 1.096 995 A CA 1.980 53.715 52.037 -0.503 0.000 0.778 995 A CB -0.129 18.065 19.000 -1.343 0.000 1.031 995 A HN 2.918 nan 8.150 nan 0.000 0.494 996 G N 1.622 110.421 108.800 -0.002 0.000 2.184 996 G HA2 -0.306 3.640 3.960 -0.022 0.000 0.264 996 G HA3 -0.306 3.640 3.960 -0.022 0.000 0.264 996 G C 1.325 176.226 174.900 0.001 0.000 0.975 996 G CA 1.380 46.468 45.100 -0.019 0.000 0.642 996 G HN 2.038 nan 8.290 nan 0.000 0.536 997 S N -0.152 115.552 115.700 0.007 0.000 2.419 997 S HA 0.123 4.579 4.470 -0.022 0.000 0.233 997 S C 2.517 177.099 174.600 -0.030 0.000 1.016 997 S CA 1.529 59.722 58.200 -0.011 0.000 0.974 997 S CB -0.698 62.506 63.200 0.008 0.000 0.786 997 S HN 1.590 nan 8.310 nan 0.000 0.492 998 G N 1.718 110.523 108.800 0.008 0.000 2.476 998 G HA2 -0.038 3.909 3.960 -0.022 0.000 0.218 998 G HA3 -0.038 3.909 3.960 -0.022 0.000 0.218 998 G C 1.682 176.504 174.900 -0.129 0.000 1.164 998 G CA 1.047 46.142 45.100 -0.008 0.000 0.768 998 G HN 0.814 nan 8.290 nan 0.000 0.560 999 A N 0.117 122.775 122.820 -0.270 0.000 1.872 999 A HA 0.004 4.310 4.320 -0.022 0.000 0.214 999 A C 2.335 179.452 177.584 -0.779 0.000 1.187 999 A CA 1.799 53.376 52.037 -0.766 0.000 0.614 999 A CB -0.448 17.893 19.000 -1.098 0.000 0.826 999 A HN 0.435 nan 8.150 nan 0.000 0.442 1000 Q N -0.040 119.469 119.800 -0.484 0.000 2.112 1000 Q HA -0.238 4.089 4.340 -0.022 0.000 0.206 1000 Q C 1.925 177.841 176.000 -0.140 0.000 0.987 1000 Q CA 1.951 57.622 55.803 -0.220 0.000 0.858 1000 Q CB -0.361 28.365 28.738 -0.020 0.000 0.905 1000 Q HN 0.815 nan 8.270 nan 0.000 0.420 1001 N N 0.250 118.882 118.700 -0.113 0.000 2.084 1001 N HA -0.155 4.572 4.740 -0.022 0.000 0.190 1001 N C 1.789 177.273 175.510 -0.042 0.000 1.030 1001 N CA 0.901 53.919 53.050 -0.054 0.000 0.849 1001 N CB -0.167 38.302 38.487 -0.030 0.000 1.012 1001 N HN 0.208 nan 8.380 nan 0.000 0.423 1002 A N 0.768 123.537 122.820 -0.086 0.000 1.933 1002 A HA -0.087 4.219 4.320 -0.022 0.000 0.218 1002 A C 2.390 180.003 177.584 0.049 0.000 1.175 1002 A CA 1.149 53.186 52.037 -0.000 0.000 0.628 1002 A CB -0.692 18.307 19.000 -0.003 0.000 0.814 1002 A HN 0.102 nan 8.150 nan 0.000 0.444 1003 V N -0.343 119.524 119.914 -0.079 0.000 2.270 1003 V HA -0.126 3.981 4.120 -0.022 0.000 0.245 1003 V C 2.828 178.941 176.094 0.031 0.000 1.043 1003 V CA 2.021 64.325 62.300 0.007 0.000 1.014 1003 V CB -1.408 30.402 31.823 -0.021 0.000 0.645 1003 V HN 0.584 nan 8.190 nan 0.000 0.447 1004 G N -0.548 108.252 108.800 0.000 0.000 2.414 1004 G HA2 -0.216 3.731 3.960 -0.022 0.000 0.215 1004 G HA3 -0.216 3.731 3.960 -0.022 0.000 0.215 1004 G C 1.701 176.602 174.900 0.001 0.000 1.188 1004 G CA 1.473 46.565 45.100 -0.014 0.000 0.783 1004 G HN 0.449 nan 8.290 nan 0.000 0.537 1005 T N 1.155 115.731 114.554 0.036 0.000 2.607 1005 T HA -0.119 4.218 4.350 -0.022 0.000 0.267 1005 T C 2.477 177.241 174.700 0.107 0.000 1.049 1005 T CA 1.730 63.870 62.100 0.066 0.000 1.162 1005 T CB -0.804 68.112 68.868 0.080 0.000 0.863 1005 T HN 0.360 nan 8.240 nan 0.000 0.424 1006 G N 0.408 109.319 108.800 0.185 0.000 2.432 1006 G HA2 -0.120 3.826 3.960 -0.022 0.000 0.219 1006 G HA3 -0.120 3.826 3.960 -0.022 0.000 0.219 1006 G C 1.680 176.588 174.900 0.014 0.000 1.135 1006 G CA 0.700 45.916 45.100 0.193 0.000 0.767 1006 G HN 0.440 nan 8.290 nan 0.000 0.550 1007 V N 0.639 120.552 119.914 -0.001 0.000 2.346 1007 V HA -0.068 4.039 4.120 -0.022 0.000 0.244 1007 V C 2.624 178.690 176.094 -0.047 0.000 1.037 1007 V CA 1.902 64.189 62.300 -0.022 0.000 1.029 1007 V CB -0.214 31.581 31.823 -0.046 0.000 0.663 1007 V HN 0.456 nan 8.190 nan 0.000 0.454 1008 M N 0.354 119.914 119.600 -0.067 0.000 2.086 1008 M HA -0.093 4.373 4.480 -0.022 0.000 0.261 1008 M C 2.031 178.332 176.300 0.002 0.000 1.067 1008 M CA 2.332 57.596 55.300 -0.059 0.000 1.116 1008 M CB -0.566 32.003 32.600 -0.053 0.000 1.348 1008 M HN 0.396 nan 8.290 nan 0.000 0.407 1009 G N -0.899 107.916 108.800 0.025 0.000 2.422 1009 G HA2 -0.134 3.813 3.960 -0.022 0.000 0.218 1009 G HA3 -0.134 3.813 3.960 -0.022 0.000 0.218 1009 G C 1.382 176.312 174.900 0.050 0.000 1.146 1009 G CA 0.817 45.941 45.100 0.041 0.000 0.769 1009 G HN 0.612 nan 8.290 nan 0.000 0.547 1010 G N 0.460 109.291 108.800 0.051 0.000 2.402 1010 G HA2 -0.143 3.803 3.960 -0.022 0.000 0.216 1010 G HA3 -0.143 3.803 3.960 -0.022 0.000 0.216 1010 G C 1.783 176.732 174.900 0.082 0.000 1.162 1010 G CA 0.842 45.976 45.100 0.057 0.000 0.777 1010 G HN 0.268 nan 8.290 nan 0.000 0.539 1011 M N 0.468 120.123 119.600 0.092 0.000 2.394 1011 M HA 0.054 4.521 4.480 -0.022 0.000 0.264 1011 M C 2.634 179.004 176.300 0.115 0.000 1.073 1011 M CA 0.503 55.883 55.300 0.132 0.000 1.111 1011 M CB -0.427 32.273 32.600 0.167 0.000 1.401 1011 M HN 0.118 nan 8.290 nan 0.000 0.448 1012 V N 0.470 120.436 119.914 0.086 0.000 2.244 1012 V HA -0.237 3.870 4.120 -0.022 0.000 0.244 1012 V C 2.611 178.765 176.094 0.101 0.000 1.042 1012 V CA 2.389 64.741 62.300 0.087 0.000 1.006 1012 V CB -1.194 30.665 31.823 0.060 0.000 0.641 1012 V HN 0.556 nan 8.190 nan 0.000 0.446 1013 T N -1.190 113.417 114.554 0.088 0.000 2.857 1013 T HA -0.064 4.272 4.350 -0.022 0.000 0.266 1013 T C 1.939 176.713 174.700 0.123 0.000 1.048 1013 T CA 1.317 63.475 62.100 0.097 0.000 1.139 1013 T CB -0.457 68.453 68.868 0.071 0.000 0.874 1013 T HN 0.432 nan 8.240 nan 0.000 0.455 1014 A N 2.316 125.207 122.820 0.119 0.000 1.873 1014 A HA -0.116 4.191 4.320 -0.022 0.000 0.218 1014 A C 2.768 180.441 177.584 0.150 0.000 1.193 1014 A CA 2.849 54.965 52.037 0.131 0.000 0.629 1014 A CB -1.486 17.588 19.000 0.123 0.000 0.826 1014 A HN 0.753 nan 8.150 nan 0.000 0.447 1015 T N -3.811 110.830 114.554 0.146 0.000 3.010 1015 T HA 0.088 4.425 4.350 -0.022 0.000 0.252 1015 T C 1.092 175.896 174.700 0.172 0.000 1.047 1015 T CA 1.023 63.209 62.100 0.144 0.000 1.140 1015 T CB -0.330 68.616 68.868 0.130 0.000 0.885 1015 T HN 0.124 nan 8.240 nan 0.000 0.464 1016 V N 1.377 121.405 119.914 0.190 0.000 3.416 1016 V HA 0.385 4.492 4.120 -0.022 0.000 0.334 1016 V C 1.286 177.558 176.094 0.296 0.000 1.271 1016 V CA 0.381 62.825 62.300 0.240 0.000 1.274 1016 V CB -0.486 31.460 31.823 0.204 0.000 1.153 1016 V HN 0.389 nan 8.190 nan 0.000 0.433 1017 L N -0.414 120.989 121.223 0.301 0.000 2.718 1017 L HA 0.499 4.825 4.340 -0.022 0.000 0.247 1017 L C 2.190 179.318 176.870 0.429 0.000 1.028 1017 L CA 1.606 56.675 54.840 0.382 0.000 1.031 1017 L CB -0.282 41.942 42.059 0.275 0.000 1.910 1017 L HN 0.073 nan 8.230 nan 0.000 0.526 1018 A N 0.868 123.864 122.820 0.293 0.000 1.933 1018 A HA -0.139 4.168 4.320 -0.022 0.000 0.218 1018 A C 2.065 179.742 177.584 0.154 0.000 1.175 1018 A CA 1.882 54.072 52.037 0.256 0.000 0.628 1018 A CB -1.053 18.073 19.000 0.209 0.000 0.814 1018 A HN 0.611 nan 8.150 nan 0.000 0.444 1019 I N -4.620 115.994 120.570 0.073 0.000 2.530 1019 I HA -0.194 3.963 4.170 -0.022 0.000 0.257 1019 I C 1.942 177.866 176.117 -0.322 0.000 1.179 1019 I CA 1.660 62.880 61.300 -0.133 0.000 1.440 1019 I CB -0.436 37.445 38.000 -0.199 0.000 1.087 1019 I HN 0.188 nan 8.210 nan 0.000 0.440 1020 F N -0.314 119.619 119.950 -0.027 0.000 2.505 1020 F HA 0.239 4.753 4.527 -0.022 0.000 0.289 1020 F C 1.894 177.507 175.800 -0.312 0.000 1.101 1020 F CA 0.563 58.459 58.000 -0.173 0.000 1.446 1020 F CB -0.286 38.603 39.000 -0.184 0.000 1.123 1020 F HN -0.126 nan 8.300 nan 0.000 0.564 1021 F N -0.589 119.316 119.950 -0.075 0.000 2.387 1021 F HA -0.056 4.458 4.527 -0.022 0.000 0.294 1021 F C 2.179 177.477 175.800 -0.836 0.000 1.093 1021 F CA 0.606 58.313 58.000 -0.488 0.000 1.420 1021 F CB -0.382 38.347 39.000 -0.453 0.000 1.086 1021 F HN -0.320 nan 8.300 nan 0.000 0.531 1022 V N 1.715 121.535 119.914 -0.157 0.000 2.295 1022 V HA -0.212 3.895 4.120 -0.022 0.000 0.246 1022 V C -0.495 175.613 176.094 0.025 0.000 1.049 1022 V CA 1.971 64.304 62.300 0.055 0.000 1.024 1022 V CB -1.832 30.083 31.823 0.153 0.000 0.648 1022 V HN 0.155 nan 8.190 nan 0.000 0.447 1023 P HA -0.070 nan 4.420 nan 0.000 0.222 1023 P C 1.798 179.080 177.300 -0.029 0.000 1.147 1023 P CA 1.130 64.215 63.100 -0.025 0.000 0.790 1023 P CB 0.050 31.699 31.700 -0.085 0.000 0.780 1024 V N -0.805 119.008 119.914 -0.168 0.000 2.346 1024 V HA -0.162 3.945 4.120 -0.022 0.000 0.244 1024 V C 2.442 178.528 176.094 -0.013 0.000 1.037 1024 V CA 1.474 63.659 62.300 -0.192 0.000 1.029 1024 V CB -1.274 30.308 31.823 -0.402 0.000 0.663 1024 V HN -0.032 nan 8.190 nan 0.000 0.454 1025 F N -0.776 119.230 119.950 0.092 0.000 2.065 1025 F HA -0.290 4.224 4.527 -0.022 0.000 0.298 1025 F C 2.303 178.164 175.800 0.101 0.000 1.112 1025 F CA 2.135 60.183 58.000 0.081 0.000 1.212 1025 F CB -0.588 38.471 39.000 0.099 0.000 0.975 1025 F HN 0.169 nan 8.300 nan 0.000 0.476 1026 F N 0.991 121.049 119.950 0.179 0.000 2.046 1026 F HA -0.240 4.274 4.527 -0.022 0.000 0.297 1026 F C 2.284 178.105 175.800 0.035 0.000 1.123 1026 F CA 1.518 59.561 58.000 0.072 0.000 1.199 1026 F CB -0.835 38.175 39.000 0.017 0.000 0.972 1026 F HN -0.292 nan 8.300 nan 0.000 0.474 1027 V N -0.419 119.535 119.914 0.067 0.000 2.332 1027 V HA -0.322 3.784 4.120 -0.022 0.000 0.248 1027 V C 2.373 178.426 176.094 -0.069 0.000 1.055 1027 V CA 1.676 63.950 62.300 -0.044 0.000 1.038 1027 V CB -0.891 30.938 31.823 0.010 0.000 0.651 1027 V HN 0.295 nan 8.190 nan 0.000 0.450 1028 V N -0.447 119.465 119.914 -0.003 0.000 2.261 1028 V HA -0.213 3.894 4.120 -0.022 0.000 0.246 1028 V C 2.397 178.486 176.094 -0.008 0.000 1.047 1028 V CA 1.968 64.277 62.300 0.015 0.000 1.015 1028 V CB -0.430 31.437 31.823 0.073 0.000 0.642 1028 V HN 0.404 nan 8.190 nan 0.000 0.446 1029 V N -0.143 119.764 119.914 -0.011 0.000 2.343 1029 V HA -0.179 3.928 4.120 -0.022 0.000 0.247 1029 V C 2.353 178.388 176.094 -0.099 0.000 1.051 1029 V CA 1.855 64.149 62.300 -0.010 0.000 1.036 1029 V CB -0.715 31.137 31.823 0.048 0.000 0.654 1029 V HN 0.391 nan 8.190 nan 0.000 0.451 1030 R N -0.175 120.141 120.500 -0.306 0.000 2.340 1030 R HA 0.081 4.408 4.340 -0.022 0.000 0.215 1030 R C 1.772 177.956 176.300 -0.193 0.000 1.017 1030 R CA 0.633 56.487 56.100 -0.409 0.000 1.111 1030 R CB -0.464 29.298 30.300 -0.897 0.000 1.049 1030 R HN 0.397 nan 8.270 nan 0.000 0.490 1031 R N -1.167 119.284 120.500 -0.082 0.000 2.446 1031 R HA 0.268 4.595 4.340 -0.022 0.000 0.254 1031 R C -0.268 176.055 176.300 0.039 0.000 0.918 1031 R CA -0.055 56.035 56.100 -0.017 0.000 1.069 1031 R CB 0.708 30.995 30.300 -0.020 0.000 1.194 1031 R HN -0.065 nan 8.270 nan 0.000 0.534 1032 R N 0.748 121.287 120.500 0.066 0.000 2.278 1032 R HA 0.326 4.652 4.340 -0.022 0.000 0.322 1032 R C -1.330 175.094 176.300 0.208 0.000 1.058 1032 R CA -0.130 56.031 56.100 0.100 0.000 0.991 1032 R CB 0.625 30.968 30.300 0.073 0.000 1.140 1032 R HN -0.091 nan 8.270 nan 0.000 0.518 1033 F N 0.000 119.951 119.950 0.001 0.000 2.286 1033 F HA 0.000 4.514 4.527 -0.022 0.000 0.279 1033 F CA 0.000 58.006 58.000 0.010 0.000 1.383 1033 F CB 0.000 38.994 39.000 -0.011 0.000 1.145 1033 F HN 0.000 nan 8.300 nan 0.000 0.574