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 2w1b_1_A 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 0.000 177.372 177.300 0.119 0.000 1.155 2 P CA 0.000 63.225 63.100 0.208 0.000 0.800 2 P CB 0.000 31.767 31.700 0.113 0.000 0.726 3 N N -1.451 117.287 118.700 0.063 0.000 2.003 3 N HA 0.063 4.804 4.740 0.001 0.000 0.271 3 N C 1.153 176.529 175.510 -0.223 0.000 1.166 3 N CA 0.195 53.176 53.050 -0.114 0.000 0.760 3 N CB 0.005 38.337 38.487 -0.258 0.000 1.607 3 N HN -0.143 nan 8.380 nan 0.000 0.588 4 F N 1.163 120.862 119.950 -0.418 0.000 2.141 4 F HA -0.186 4.342 4.527 0.001 0.000 0.300 4 F C 1.641 177.069 175.800 -0.620 0.000 1.079 4 F CA 1.771 59.323 58.000 -0.748 0.000 1.264 4 F CB -0.365 37.790 39.000 -1.409 0.000 1.011 4 F HN 0.073 nan 8.300 nan 0.000 0.487 5 F N -0.916 119.140 119.950 0.178 0.000 2.622 5 F HA 0.151 4.678 4.527 0.001 0.000 0.288 5 F C 2.154 178.001 175.800 0.079 0.000 1.120 5 F CA 0.075 58.162 58.000 0.145 0.000 1.423 5 F CB -0.950 38.142 39.000 0.152 0.000 1.127 5 F HN -0.073 nan 8.300 nan 0.000 0.588 6 I N -0.731 119.961 120.570 0.202 0.000 2.361 6 I HA -0.168 4.002 4.170 0.001 0.000 0.251 6 I C 1.073 177.230 176.117 0.067 0.000 1.133 6 I CA 1.830 63.195 61.300 0.109 0.000 1.413 6 I CB -0.509 37.529 38.000 0.062 0.000 1.073 6 I HN -0.062 nan 8.210 nan 0.000 0.424 7 D N 0.936 121.357 120.400 0.035 0.000 2.213 7 D HA 0.045 4.685 4.640 0.001 0.000 0.205 7 D C 0.506 176.841 176.300 0.058 0.000 0.961 7 D CA 0.818 54.831 54.000 0.021 0.000 0.853 7 D CB 0.146 40.931 40.800 -0.025 0.000 0.967 7 D HN 0.379 nan 8.370 nan 0.000 0.496 8 R N 0.418 120.976 120.500 0.095 0.000 2.363 8 R HA 0.251 4.591 4.340 0.001 0.000 0.297 8 R C -2.077 174.367 176.300 0.241 0.000 1.208 8 R CA -1.341 54.845 56.100 0.144 0.000 1.121 8 R CB 1.581 31.952 30.300 0.119 0.000 1.124 8 R HN -0.039 nan 8.270 nan 0.000 0.561 9 P HA -0.142 nan 4.420 nan 0.000 0.219 9 P C 0.639 178.187 177.300 0.414 0.000 1.146 9 P CA 1.151 64.421 63.100 0.285 0.000 0.808 9 P CB 0.255 32.117 31.700 0.271 0.000 0.779 10 I N -2.864 117.936 120.570 0.384 0.000 2.585 10 I HA -0.063 4.107 4.170 0.001 0.000 0.254 10 I C 2.088 178.426 176.117 0.367 0.000 1.129 10 I CA 0.777 62.314 61.300 0.397 0.000 1.455 10 I CB -0.808 37.335 38.000 0.239 0.000 1.111 10 I HN -0.209 nan 8.210 nan 0.000 0.433 11 F N 1.603 121.716 119.950 0.273 0.000 2.202 11 F HA -0.229 4.298 4.527 0.001 0.000 0.301 11 F C 2.398 178.370 175.800 0.287 0.000 1.082 11 F CA 1.111 59.294 58.000 0.306 0.000 1.313 11 F CB -0.219 38.987 39.000 0.344 0.000 1.024 11 F HN 0.046 nan 8.300 nan 0.000 0.495 12 A N -0.236 122.818 122.820 0.389 0.000 1.835 12 A HA -0.259 4.062 4.320 0.001 0.000 0.215 12 A C 2.081 179.600 177.584 -0.108 0.000 1.199 12 A CA 1.729 53.710 52.037 -0.093 0.000 0.615 12 A CB -1.741 17.147 19.000 -0.186 0.000 0.838 12 A HN 0.589 nan 8.150 nan 0.000 0.444 13 W N -0.210 121.082 121.300 -0.013 0.000 2.292 13 W HA -0.241 4.419 4.660 0.001 0.000 0.304 13 W C 2.277 178.744 176.519 -0.086 0.000 1.228 13 W CA 1.567 58.887 57.345 -0.042 0.000 1.241 13 W CB -0.428 29.024 29.460 -0.013 0.000 1.142 13 W HN 0.187 nan 8.180 nan 0.000 0.520 14 V N 0.246 120.219 119.914 0.097 0.000 2.221 14 V HA -0.329 3.792 4.120 0.001 0.000 0.242 14 V C 1.924 177.950 176.094 -0.115 0.000 1.041 14 V CA 1.957 64.219 62.300 -0.063 0.000 0.995 14 V CB -1.057 30.621 31.823 -0.242 0.000 0.635 14 V HN 0.112 nan 8.190 nan 0.000 0.448 15 I N -0.102 120.349 120.570 -0.198 0.000 2.248 15 I HA -0.307 3.863 4.170 0.001 0.000 0.248 15 I C 2.519 178.553 176.117 -0.139 0.000 1.107 15 I CA 1.384 62.580 61.300 -0.174 0.000 1.373 15 I CB -0.402 37.480 38.000 -0.196 0.000 1.055 15 I HN 0.364 nan 8.210 nan 0.000 0.418 16 A N 1.038 123.769 122.820 -0.148 0.000 1.834 16 A HA -0.246 4.074 4.320 0.001 0.000 0.216 16 A C 2.291 179.850 177.584 -0.041 0.000 1.203 16 A CA 1.691 53.645 52.037 -0.139 0.000 0.621 16 A CB -1.022 17.833 19.000 -0.241 0.000 0.841 16 A HN 0.347 nan 8.150 nan 0.000 0.446 17 I N -0.203 120.398 120.570 0.050 0.000 2.147 17 I HA -0.368 3.802 4.170 0.001 0.000 0.245 17 I C 2.421 178.537 176.117 -0.000 0.000 1.059 17 I CA 1.902 63.240 61.300 0.063 0.000 1.320 17 I CB -0.368 37.685 38.000 0.090 0.000 1.021 17 I HN 0.422 nan 8.210 nan 0.000 0.415 18 I N 0.836 121.388 120.570 -0.030 0.000 2.069 18 I HA -0.365 3.806 4.170 0.001 0.000 0.237 18 I C 2.257 178.352 176.117 -0.037 0.000 1.053 18 I CA 1.994 63.270 61.300 -0.041 0.000 1.311 18 I CB -0.402 37.561 38.000 -0.061 0.000 1.030 18 I HN 0.192 nan 8.210 nan 0.000 0.398 19 I N -0.315 120.226 120.570 -0.048 0.000 3.010 19 I HA -0.245 3.926 4.170 0.001 0.000 0.271 19 I C 2.371 178.466 176.117 -0.036 0.000 1.293 19 I CA 0.823 62.099 61.300 -0.040 0.000 1.452 19 I CB -0.507 37.463 38.000 -0.049 0.000 1.082 19 I HN 0.339 nan 8.210 nan 0.000 0.484 20 M N 0.388 119.967 119.600 -0.035 0.000 2.115 20 M HA -0.101 4.379 4.480 0.001 0.000 0.261 20 M C 2.371 178.647 176.300 -0.039 0.000 1.079 20 M CA 1.533 56.812 55.300 -0.036 0.000 1.143 20 M CB -0.305 32.287 32.600 -0.013 0.000 1.332 20 M HN 0.239 nan 8.290 nan 0.000 0.421 21 L N 0.294 121.500 121.223 -0.027 0.000 2.129 21 L HA -0.211 4.129 4.340 0.001 0.000 0.212 21 L C 2.638 179.493 176.870 -0.026 0.000 1.087 21 L CA 1.820 56.644 54.840 -0.027 0.000 0.757 21 L CB -1.296 40.750 42.059 -0.021 0.000 0.896 21 L HN 0.301 nan 8.230 nan 0.000 0.434 22 A N -0.105 122.702 122.820 -0.022 0.000 1.832 22 A HA -0.083 4.237 4.320 0.001 0.000 0.214 22 A C 2.374 179.960 177.584 0.003 0.000 1.200 22 A CA 1.526 53.558 52.037 -0.008 0.000 0.610 22 A CB -1.277 17.718 19.000 -0.007 0.000 0.842 22 A HN 0.403 nan 8.150 nan 0.000 0.444 23 G N -0.829 107.973 108.800 0.003 0.000 2.479 23 G HA2 0.035 3.996 3.960 0.001 0.000 0.220 23 G HA3 0.035 3.996 3.960 0.001 0.000 0.220 23 G C 1.410 176.277 174.900 -0.055 0.000 1.115 23 G CA 1.339 46.455 45.100 0.027 0.000 0.757 23 G HN 0.747 nan 8.290 nan 0.000 0.560 24 G N 0.865 109.615 108.800 -0.084 0.000 2.421 24 G HA2 -0.088 3.873 3.960 0.001 0.000 0.216 24 G HA3 -0.088 3.873 3.960 0.001 0.000 0.216 24 G C 1.338 176.209 174.900 -0.050 0.000 1.171 24 G CA 0.410 45.450 45.100 -0.100 0.000 0.775 24 G HN 0.360 nan 8.290 nan 0.000 0.543 25 L N 1.249 122.460 121.223 -0.020 0.000 2.693 25 L HA 0.411 4.751 4.340 0.001 0.000 0.242 25 L C 2.224 179.110 176.870 0.026 0.000 1.157 25 L CA 0.762 55.602 54.840 0.000 0.000 0.929 25 L CB 0.284 42.343 42.059 0.000 0.000 1.103 25 L HN 0.296 nan 8.230 nan 0.000 0.430 26 A N -1.265 121.582 122.820 0.046 0.000 2.026 26 A HA 0.221 4.541 4.320 0.001 0.000 0.198 26 A C 1.981 179.663 177.584 0.163 0.000 1.390 26 A CA 0.018 52.118 52.037 0.105 0.000 0.915 26 A CB -0.081 19.007 19.000 0.146 0.000 0.974 26 A HN 0.227 nan 8.150 nan 0.000 0.477 27 I N 0.790 121.444 120.570 0.140 0.000 2.118 27 I HA -0.313 3.858 4.170 0.001 0.000 0.241 27 I C 2.276 178.450 176.117 0.094 0.000 1.070 27 I CA 1.307 62.701 61.300 0.156 0.000 1.327 27 I CB -0.662 37.297 38.000 -0.070 0.000 1.034 27 I HN 0.277 nan 8.210 nan 0.000 0.405 28 L N 0.655 121.902 121.223 0.040 0.000 1.886 28 L HA -0.198 4.142 4.340 0.001 0.000 0.226 28 L C 2.302 179.195 176.870 0.037 0.000 1.091 28 L CA 1.527 56.383 54.840 0.027 0.000 0.799 28 L CB -0.847 41.217 42.059 0.008 0.000 0.889 28 L HN 0.094 nan 8.230 nan 0.000 0.429 29 K N 0.155 120.575 120.400 0.033 0.000 2.589 29 K HA -0.120 4.201 4.320 0.001 0.000 0.195 29 K C -0.026 176.597 176.600 0.038 0.000 1.042 29 K CA 0.306 56.611 56.287 0.031 0.000 0.940 29 K CB -0.371 32.145 32.500 0.027 0.000 0.776 29 K HN 0.025 nan 8.250 nan 0.000 0.487 30 L N 1.271 122.526 121.223 0.052 0.000 2.272 30 L HA 0.293 4.633 4.340 0.001 0.000 0.289 30 L C -2.581 174.313 176.870 0.039 0.000 1.032 30 L CA -2.578 52.294 54.840 0.053 0.000 0.810 30 L CB 1.007 43.111 42.059 0.075 0.000 1.205 30 L HN -0.224 nan 8.230 nan 0.000 0.422 31 P HA 0.018 nan 4.420 nan 0.000 0.257 31 P C -0.873 176.431 177.300 0.006 0.000 1.189 31 P CA 0.005 63.115 63.100 0.017 0.000 0.780 31 P CB 0.170 31.881 31.700 0.019 0.000 0.772 32 V N 3.623 123.534 119.914 -0.003 0.000 2.470 32 V HA 0.438 4.558 4.120 0.001 0.000 0.276 32 V C 0.780 176.849 176.094 -0.041 0.000 1.040 32 V CA 0.132 62.414 62.300 -0.030 0.000 1.008 32 V CB 0.080 31.885 31.823 -0.029 0.000 0.990 32 V HN 0.651 nan 8.190 nan 0.000 0.477 33 A N 3.652 126.433 122.820 -0.065 0.000 2.485 33 A HA 0.584 4.904 4.320 0.001 0.000 0.292 33 A C 0.624 178.121 177.584 -0.145 0.000 1.147 33 A CA -0.527 51.474 52.037 -0.061 0.000 0.750 33 A CB 1.678 20.671 19.000 -0.012 0.000 1.331 33 A HN 0.679 nan 8.150 nan 0.000 0.419 34 Q N -1.018 118.695 119.800 -0.145 0.000 1.941 34 Q HA 0.005 4.345 4.340 0.001 0.000 0.201 34 Q C -0.265 175.341 176.000 -0.656 0.000 0.982 34 Q CA 1.866 57.446 55.803 -0.372 0.000 0.839 34 Q CB -0.101 28.522 28.738 -0.191 0.000 0.904 34 Q HN 0.747 nan 8.270 nan 0.000 0.427 35 Y N -1.522 118.801 120.300 0.038 0.000 3.175 35 Y HA 0.431 4.981 4.550 0.001 0.000 0.294 35 Y C -2.038 173.890 175.900 0.046 0.000 1.750 35 Y CA -2.123 55.993 58.100 0.026 0.000 1.054 35 Y CB -0.057 38.443 38.460 0.066 0.000 1.465 35 Y HN 0.123 nan 8.280 nan 0.000 0.535 36 P HA 0.152 nan 4.420 nan 0.000 0.318 36 P C -0.838 176.569 177.300 0.178 0.000 1.309 36 P CA -0.222 62.999 63.100 0.201 0.000 0.736 36 P CB 0.255 32.090 31.700 0.226 0.000 1.440 37 T N 0.720 115.360 114.554 0.145 0.000 2.723 37 T HA 0.331 4.682 4.350 0.001 0.000 0.297 37 T C 0.939 175.715 174.700 0.127 0.000 0.925 37 T CA 0.077 62.249 62.100 0.119 0.000 1.030 37 T CB -0.697 68.220 68.868 0.081 0.000 0.905 37 T HN 0.223 nan 8.240 nan 0.000 0.502 38 I N 0.615 121.264 120.570 0.131 0.000 4.327 38 I HA 0.375 4.545 4.170 0.001 0.000 0.331 38 I C 1.231 177.414 176.117 0.110 0.000 1.348 38 I CA -0.511 60.866 61.300 0.129 0.000 1.152 38 I CB 0.194 38.276 38.000 0.137 0.000 1.151 38 I HN 0.482 nan 8.210 nan 0.000 0.410 39 A N 3.921 126.804 122.820 0.104 0.000 2.362 39 A HA 0.484 4.804 4.320 0.001 0.000 0.276 39 A C -2.241 175.397 177.584 0.090 0.000 1.153 39 A CA -1.222 50.873 52.037 0.097 0.000 0.813 39 A CB -0.535 18.521 19.000 0.094 0.000 1.081 39 A HN 0.007 nan 8.150 nan 0.000 0.507 40 P HA 0.135 nan 4.420 nan 0.000 0.259 40 P C -2.511 174.850 177.300 0.102 0.000 1.211 40 P CA -0.913 62.247 63.100 0.100 0.000 0.810 40 P CB -0.500 31.267 31.700 0.113 0.000 0.815 41 P HA -0.153 nan 4.420 nan 0.000 0.228 41 P C 0.051 177.414 177.300 0.104 0.000 1.031 41 P CA 1.082 64.222 63.100 0.067 0.000 0.917 41 P CB -0.559 31.168 31.700 0.044 0.000 0.847 42 A N 3.983 126.845 122.820 0.071 0.000 2.302 42 A HA 0.452 4.773 4.320 0.001 0.000 0.295 42 A C 0.203 177.825 177.584 0.064 0.000 1.235 42 A CA -0.275 51.813 52.037 0.085 0.000 0.876 42 A CB 0.438 19.478 19.000 0.067 0.000 1.133 42 A HN 0.308 nan 8.150 nan 0.000 0.533 43 V N 1.902 121.885 119.914 0.116 0.000 2.994 43 V HA 0.793 4.913 4.120 0.001 0.000 0.318 43 V C 0.227 176.369 176.094 0.081 0.000 1.085 43 V CA -0.405 61.949 62.300 0.089 0.000 0.998 43 V CB 2.189 34.105 31.823 0.156 0.000 1.063 43 V HN 0.880 nan 8.190 nan 0.000 0.447 44 T N 3.007 117.594 114.554 0.056 0.000 3.829 44 T HA 0.423 4.773 4.350 0.001 0.000 0.332 44 T C -0.714 174.006 174.700 0.033 0.000 0.845 44 T CA -0.206 61.919 62.100 0.043 0.000 1.010 44 T CB 0.320 69.206 68.868 0.030 0.000 1.051 44 T HN 0.406 nan 8.240 nan 0.000 0.465 45 I N 2.324 122.915 120.570 0.035 0.000 2.371 45 I HA 0.474 4.644 4.170 0.001 0.000 0.290 45 I C 0.727 176.858 176.117 0.024 0.000 1.028 45 I CA -0.126 61.190 61.300 0.026 0.000 1.345 45 I CB 1.090 39.104 38.000 0.023 0.000 1.407 45 I HN 0.429 nan 8.210 nan 0.000 0.501 46 S N 3.982 119.695 115.700 0.021 0.000 2.759 46 S HA 0.962 5.433 4.470 0.001 0.000 0.310 46 S C -0.527 174.085 174.600 0.020 0.000 1.123 46 S CA -0.663 57.552 58.200 0.025 0.000 0.959 46 S CB 2.161 65.378 63.200 0.029 0.000 1.172 46 S HN 0.831 nan 8.310 nan 0.000 0.539 47 A N 0.631 123.467 122.820 0.026 0.000 2.586 47 A HA 0.626 4.947 4.320 0.001 0.000 0.298 47 A C -0.965 176.646 177.584 0.046 0.000 1.013 47 A CA -0.525 51.526 52.037 0.023 0.000 0.707 47 A CB 0.734 19.737 19.000 0.006 0.000 1.276 47 A HN 0.511 nan 8.150 nan 0.000 0.414 48 S N -0.238 115.499 115.700 0.060 0.000 2.600 48 S HA 0.838 5.308 4.470 0.001 0.000 0.300 48 S C -1.479 173.241 174.600 0.199 0.000 1.087 48 S CA -0.273 57.989 58.200 0.105 0.000 0.965 48 S CB 1.357 64.605 63.200 0.080 0.000 1.089 48 S HN 0.950 nan 8.310 nan 0.000 0.496 49 Y N 2.516 122.831 120.300 0.025 0.000 2.422 49 Y HA 0.280 4.830 4.550 0.001 0.000 0.344 49 Y C -2.511 173.411 175.900 0.037 0.000 1.097 49 Y CA -2.416 55.703 58.100 0.031 0.000 1.307 49 Y CB 1.082 39.560 38.460 0.030 0.000 1.102 49 Y HN 0.468 nan 8.280 nan 0.000 0.520 50 P HA -0.151 nan 4.420 nan 0.000 0.247 50 P C 0.965 178.173 177.300 -0.154 0.000 1.103 50 P CA 2.649 65.705 63.100 -0.073 0.000 0.797 50 P CB 0.033 31.723 31.700 -0.016 0.000 0.710 51 G N 2.703 111.454 108.800 -0.080 0.000 2.343 51 G HA2 -0.346 3.615 3.960 0.001 0.000 0.264 51 G HA3 -0.346 3.615 3.960 0.001 0.000 0.264 51 G C 0.584 175.439 174.900 -0.076 0.000 0.989 51 G CA 0.426 45.493 45.100 -0.056 0.000 0.627 51 G HN 0.909 nan 8.290 nan 0.000 0.549 52 A N 1.252 123.967 122.820 -0.174 0.000 2.520 52 A HA 0.444 4.765 4.320 0.001 0.000 0.235 52 A C 0.842 178.409 177.584 -0.027 0.000 1.065 52 A CA 0.684 52.620 52.037 -0.169 0.000 0.764 52 A CB 0.158 18.934 19.000 -0.372 0.000 1.002 52 A HN 0.883 nan 8.150 nan 0.000 0.502 53 D N 1.368 121.767 120.400 -0.001 0.000 2.357 53 D HA 0.280 4.921 4.640 0.001 0.000 0.242 53 D C 1.050 177.383 176.300 0.055 0.000 1.153 53 D CA 0.216 54.233 54.000 0.029 0.000 0.918 53 D CB 1.165 41.979 40.800 0.024 0.000 1.181 53 D HN 0.442 nan 8.370 nan 0.000 0.435 54 A N 1.599 124.447 122.820 0.047 0.000 1.972 54 A HA -0.201 4.120 4.320 0.001 0.000 0.219 54 A C 2.060 179.669 177.584 0.041 0.000 1.169 54 A CA 1.250 53.316 52.037 0.048 0.000 0.635 54 A CB -0.541 18.477 19.000 0.030 0.000 0.810 54 A HN 0.658 nan 8.150 nan 0.000 0.446 55 K N -0.900 119.515 120.400 0.025 0.000 2.366 55 K HA -0.012 4.309 4.320 0.001 0.000 0.198 55 K C 0.408 177.034 176.600 0.044 0.000 1.044 55 K CA 1.185 57.482 56.287 0.016 0.000 0.973 55 K CB 0.040 32.536 32.500 -0.007 0.000 0.767 55 K HN 0.428 nan 8.250 nan 0.000 0.475 56 T N 0.026 114.624 114.554 0.074 0.000 3.186 56 T HA 0.102 4.452 4.350 0.001 0.000 0.257 56 T C 1.009 175.837 174.700 0.213 0.000 1.029 56 T CA -0.088 62.087 62.100 0.125 0.000 0.916 56 T CB 0.668 69.612 68.868 0.126 0.000 1.041 56 T HN -0.093 nan 8.240 nan 0.000 0.562 57 V N 0.405 120.411 119.914 0.154 0.000 3.013 57 V HA 0.126 4.246 4.120 0.001 0.000 0.238 57 V C 2.373 178.500 176.094 0.054 0.000 1.161 57 V CA 0.294 62.687 62.300 0.155 0.000 1.170 57 V CB 0.169 32.092 31.823 0.168 0.000 0.917 57 V HN 0.261 nan 8.190 nan 0.000 0.478 58 Q N 0.108 119.934 119.800 0.044 0.000 2.369 58 Q HA -0.155 4.185 4.340 0.001 0.000 0.206 58 Q C 0.708 176.714 176.000 0.011 0.000 0.963 58 Q CA 1.177 56.993 55.803 0.022 0.000 0.894 58 Q CB 0.129 28.879 28.738 0.019 0.000 0.965 58 Q HN 0.561 nan 8.270 nan 0.000 0.475 59 D N -1.252 119.157 120.400 0.015 0.000 2.363 59 D HA 0.065 4.706 4.640 0.001 0.000 0.214 59 D C 0.668 176.964 176.300 -0.007 0.000 1.093 59 D CA 0.299 54.303 54.000 0.007 0.000 0.837 59 D CB 0.880 41.690 40.800 0.016 0.000 0.948 59 D HN 0.050 nan 8.370 nan 0.000 0.507 60 T N -1.564 112.973 114.554 -0.029 0.000 3.051 60 T HA 0.109 4.459 4.350 0.001 0.000 0.254 60 T C 1.341 175.963 174.700 -0.131 0.000 0.916 60 T CA 0.229 62.284 62.100 -0.075 0.000 0.894 60 T CB 0.472 69.293 68.868 -0.078 0.000 1.251 60 T HN -0.104 nan 8.240 nan 0.000 0.517 61 V N 0.213 120.055 119.914 -0.120 0.000 2.948 61 V HA 0.129 4.250 4.120 0.001 0.000 0.234 61 V C 2.507 178.567 176.094 -0.057 0.000 1.205 61 V CA 1.030 63.261 62.300 -0.115 0.000 1.234 61 V CB -0.673 31.066 31.823 -0.140 0.000 1.020 61 V HN 0.273 nan 8.190 nan 0.000 0.491 62 T N 0.678 115.212 114.554 -0.033 0.000 2.516 62 T HA -0.324 4.027 4.350 0.001 0.000 0.261 62 T C 1.884 176.573 174.700 -0.017 0.000 1.130 62 T CA 2.333 64.424 62.100 -0.015 0.000 1.193 62 T CB -0.451 68.416 68.868 -0.001 0.000 0.864 62 T HN 0.435 nan 8.240 nan 0.000 0.410 63 Q N 0.453 120.243 119.800 -0.016 0.000 2.234 63 Q HA -0.076 4.264 4.340 0.001 0.000 0.206 63 Q C 2.442 178.430 176.000 -0.020 0.000 0.980 63 Q CA 1.112 56.906 55.803 -0.015 0.000 0.869 63 Q CB -0.405 28.327 28.738 -0.010 0.000 0.912 63 Q HN 0.457 nan 8.270 nan 0.000 0.436 64 V N -0.283 119.616 119.914 -0.026 0.000 3.380 64 V HA -0.111 4.010 4.120 0.001 0.000 0.268 64 V C 1.699 177.778 176.094 -0.024 0.000 1.168 64 V CA 0.938 63.222 62.300 -0.027 0.000 1.156 64 V CB -0.452 31.349 31.823 -0.036 0.000 0.785 64 V HN 0.255 nan 8.190 nan 0.000 0.487 65 I N -0.091 120.465 120.570 -0.023 0.000 2.681 65 I HA 0.019 4.189 4.170 0.001 0.000 0.247 65 I C 2.106 178.212 176.117 -0.019 0.000 1.091 65 I CA 0.576 61.864 61.300 -0.019 0.000 1.442 65 I CB -0.089 37.901 38.000 -0.016 0.000 1.219 65 I HN 0.130 nan 8.210 nan 0.000 0.451 66 E N 0.822 121.009 120.200 -0.021 0.000 2.533 66 E HA -0.205 4.145 4.350 0.001 0.000 0.203 66 E C 1.417 178.000 176.600 -0.029 0.000 1.101 66 E CA 0.644 57.027 56.400 -0.028 0.000 0.894 66 E CB 0.034 29.717 29.700 -0.028 0.000 0.843 66 E HN 0.553 nan 8.360 nan 0.000 0.552 67 Q N -1.291 118.495 119.800 -0.024 0.000 2.404 67 Q HA 0.110 4.451 4.340 0.001 0.000 0.262 67 Q C 1.212 177.201 176.000 -0.019 0.000 0.846 67 Q CA 0.069 55.859 55.803 -0.022 0.000 0.978 67 Q CB 0.390 29.117 28.738 -0.018 0.000 1.156 67 Q HN 0.078 nan 8.270 nan 0.000 0.548 68 N N -0.371 118.319 118.700 -0.017 0.000 2.467 68 N HA 0.056 4.796 4.740 0.001 0.000 0.184 68 N C -0.333 175.170 175.510 -0.012 0.000 1.106 68 N CA 0.413 53.456 53.050 -0.013 0.000 0.892 68 N CB 0.428 38.908 38.487 -0.011 0.000 0.969 68 N HN 0.058 nan 8.380 nan 0.000 0.454 69 M N 1.940 121.531 119.600 -0.016 0.000 2.143 69 M HA 0.197 4.678 4.480 0.001 0.000 0.348 69 M C -0.225 176.060 176.300 -0.023 0.000 1.375 69 M CA 0.135 55.425 55.300 -0.016 0.000 1.124 69 M CB -0.121 32.465 32.600 -0.023 0.000 1.669 69 M HN 0.284 nan 8.290 nan 0.000 0.469 70 N N 0.663 119.354 118.700 -0.016 0.000 3.405 70 N HA 0.166 4.907 4.740 0.001 0.000 0.292 70 N C 0.153 175.657 175.510 -0.009 0.000 1.456 70 N CA 0.071 53.108 53.050 -0.021 0.000 0.861 70 N CB 0.266 38.739 38.487 -0.024 0.000 1.643 70 N HN 0.622 nan 8.380 nan 0.000 0.474 71 G N -0.159 108.634 108.800 -0.012 0.000 2.258 71 G HA2 -0.237 3.724 3.960 0.001 0.000 0.274 71 G HA3 -0.237 3.724 3.960 0.001 0.000 0.274 71 G C -0.443 174.463 174.900 0.010 0.000 1.021 71 G CA 0.850 45.949 45.100 -0.003 0.000 0.798 71 G HN 0.616 nan 8.290 nan 0.000 0.507 72 I N 0.413 120.988 120.570 0.007 0.000 2.336 72 I HA 0.256 4.427 4.170 0.001 0.000 0.292 72 I C 0.093 176.242 176.117 0.053 0.000 0.991 72 I CA -0.914 60.413 61.300 0.046 0.000 1.227 72 I CB 1.099 39.135 38.000 0.060 0.000 1.366 72 I HN -0.076 nan 8.210 nan 0.000 0.466 73 D N 5.921 126.385 120.400 0.108 0.000 2.488 73 D HA -0.017 4.624 4.640 0.001 0.000 0.238 73 D C 0.569 176.965 176.300 0.161 0.000 1.138 73 D CA 0.819 54.885 54.000 0.111 0.000 0.873 73 D CB 0.165 41.028 40.800 0.106 0.000 1.183 73 D HN 0.484 nan 8.370 nan 0.000 0.458 74 N N 0.471 119.221 118.700 0.084 0.000 2.708 74 N HA -0.228 4.513 4.740 0.001 0.000 0.249 74 N C -0.473 174.970 175.510 -0.112 0.000 1.097 74 N CA -0.034 53.059 53.050 0.071 0.000 0.710 74 N CB -0.658 37.943 38.487 0.189 0.000 1.032 74 N HN 0.278 nan 8.380 nan 0.000 0.551 75 L N 0.769 121.840 121.223 -0.254 0.000 2.453 75 L HA 0.129 4.469 4.340 0.001 0.000 0.272 75 L C 1.397 178.053 176.870 -0.357 0.000 1.182 75 L CA 0.810 55.330 54.840 -0.533 0.000 0.858 75 L CB 0.881 42.715 42.059 -0.375 0.000 1.120 75 L HN 0.214 nan 8.230 nan 0.000 0.474 76 M N 4.019 123.339 119.600 -0.467 0.000 2.925 76 M HA 0.184 4.664 4.480 0.001 0.000 0.249 76 M C -1.153 175.020 176.300 -0.212 0.000 1.439 76 M CA 0.177 55.301 55.300 -0.294 0.000 1.217 76 M CB 0.569 32.963 32.600 -0.344 0.000 1.245 76 M HN 0.690 nan 8.290 nan 0.000 0.552 77 Y N -2.573 117.610 120.300 -0.196 0.000 2.851 77 Y HA 0.495 5.046 4.550 0.001 0.000 0.359 77 Y C -1.395 174.340 175.900 -0.275 0.000 1.231 77 Y CA -2.007 55.922 58.100 -0.285 0.000 1.106 77 Y CB 0.524 38.823 38.460 -0.268 0.000 1.409 77 Y HN 0.014 nan 8.280 nan 0.000 0.454 78 M N 3.161 122.699 119.600 -0.103 0.000 2.122 78 M HA 0.499 4.979 4.480 0.001 0.000 0.269 78 M C -0.784 175.484 176.300 -0.053 0.000 0.954 78 M CA -0.424 54.827 55.300 -0.083 0.000 0.998 78 M CB 1.616 34.134 32.600 -0.137 0.000 1.755 78 M HN 0.966 nan 8.290 nan 0.000 0.459 79 S N 2.550 118.302 115.700 0.086 0.000 2.632 79 S HA 0.476 4.947 4.470 0.001 0.000 0.254 79 S C -0.065 174.568 174.600 0.054 0.000 1.291 79 S CA 0.193 58.457 58.200 0.107 0.000 0.974 79 S CB 0.896 64.174 63.200 0.131 0.000 1.016 79 S HN 0.845 nan 8.310 nan 0.000 0.579 80 S N 1.235 116.971 115.700 0.060 0.000 2.742 80 S HA 0.194 4.665 4.470 0.001 0.000 0.159 80 S C -1.863 172.764 174.600 0.045 0.000 0.676 80 S CA -0.772 57.454 58.200 0.042 0.000 0.897 80 S CB -0.934 62.283 63.200 0.029 0.000 1.530 80 S HN 0.715 nan 8.310 nan 0.000 0.465 81 N N 2.535 121.260 118.700 0.042 0.000 2.430 81 N HA 0.286 5.026 4.740 0.001 0.000 0.265 81 N C -0.782 174.751 175.510 0.038 0.000 1.100 81 N CA -0.156 52.917 53.050 0.038 0.000 0.961 81 N CB 1.467 39.971 38.487 0.029 0.000 1.075 81 N HN 0.397 nan 8.380 nan 0.000 0.478 82 S N 1.501 117.225 115.700 0.039 0.000 2.640 82 S HA 0.270 4.740 4.470 0.001 0.000 0.320 82 S C -0.649 173.976 174.600 0.043 0.000 1.097 82 S CA -0.941 57.283 58.200 0.040 0.000 1.092 82 S CB 1.446 64.667 63.200 0.035 0.000 0.988 82 S HN 0.361 nan 8.310 nan 0.000 0.470 83 D N 1.822 122.253 120.400 0.052 0.000 2.175 83 D HA 0.160 4.801 4.640 0.001 0.000 0.248 83 D C 1.052 177.386 176.300 0.056 0.000 1.047 83 D CA -0.193 53.838 54.000 0.052 0.000 0.883 83 D CB 1.744 42.579 40.800 0.058 0.000 1.180 83 D HN 0.532 nan 8.370 nan 0.000 0.438 84 S N -0.018 115.711 115.700 0.048 0.000 2.595 84 S HA -0.134 4.337 4.470 0.001 0.000 0.235 84 S C 1.457 176.086 174.600 0.048 0.000 0.974 84 S CA 1.138 59.365 58.200 0.046 0.000 0.942 84 S CB -0.383 62.842 63.200 0.041 0.000 0.766 84 S HN 0.558 nan 8.310 nan 0.000 0.536 85 T N -3.531 111.056 114.554 0.056 0.000 3.054 85 T HA 0.544 4.894 4.350 0.001 0.000 0.259 85 T C 1.702 176.439 174.700 0.062 0.000 1.092 85 T CA 0.771 62.907 62.100 0.059 0.000 1.121 85 T CB -0.108 68.802 68.868 0.071 0.000 0.912 85 T HN 0.956 nan 8.240 nan 0.000 0.489 86 G N 1.564 110.411 108.800 0.079 0.000 2.659 86 G HA2 -0.217 3.744 3.960 0.001 0.000 0.202 86 G HA3 -0.217 3.744 3.960 0.001 0.000 0.202 86 G C 0.536 175.504 174.900 0.114 0.000 1.186 86 G CA 0.206 45.376 45.100 0.118 0.000 0.783 86 G HN 1.259 nan 8.290 nan 0.000 0.521 87 T N -0.978 113.632 114.554 0.093 0.000 2.897 87 T HA 0.295 4.646 4.350 0.001 0.000 0.304 87 T C 0.189 174.930 174.700 0.070 0.000 1.051 87 T CA 0.955 63.104 62.100 0.081 0.000 1.132 87 T CB 1.618 70.536 68.868 0.083 0.000 1.066 87 T HN 1.829 nan 8.240 nan 0.000 0.518 88 V N 5.219 125.167 119.914 0.058 0.000 2.658 88 V HA 0.234 4.355 4.120 0.001 0.000 0.259 88 V C -0.332 175.784 176.094 0.036 0.000 0.933 88 V CA -0.809 61.518 62.300 0.045 0.000 0.871 88 V CB 1.069 32.916 31.823 0.039 0.000 1.062 88 V HN 1.055 nan 8.190 nan 0.000 0.479 89 Q N 4.878 124.701 119.800 0.038 0.000 2.392 89 Q HA 0.425 4.765 4.340 0.001 0.000 0.262 89 Q C -0.501 175.518 176.000 0.032 0.000 1.003 89 Q CA 0.282 56.105 55.803 0.035 0.000 0.888 89 Q CB 2.011 30.769 28.738 0.034 0.000 1.260 89 Q HN 0.698 nan 8.270 nan 0.000 0.435 90 I N 1.927 122.516 120.570 0.031 0.000 2.531 90 I HA 0.122 4.292 4.170 0.001 0.000 0.283 90 I C -0.775 175.364 176.117 0.037 0.000 1.083 90 I CA -0.413 60.904 61.300 0.029 0.000 1.071 90 I CB 2.040 40.049 38.000 0.016 0.000 1.210 90 I HN 0.435 nan 8.210 nan 0.000 0.450 91 T N 6.533 121.117 114.554 0.049 0.000 2.837 91 T HA 0.635 4.986 4.350 0.001 0.000 0.285 91 T C -0.335 174.389 174.700 0.041 0.000 0.984 91 T CA -0.503 61.635 62.100 0.063 0.000 1.049 91 T CB 1.480 70.400 68.868 0.086 0.000 0.947 91 T HN 0.158 nan 8.240 nan 0.000 0.472 92 L N 3.366 124.611 121.223 0.036 0.000 2.318 92 L HA 0.363 4.703 4.340 0.001 0.000 0.277 92 L C 0.613 177.433 176.870 -0.083 0.000 1.008 92 L CA -0.462 54.327 54.840 -0.086 0.000 0.846 92 L CB 1.218 43.234 42.059 -0.073 0.000 1.220 92 L HN 0.667 nan 8.230 nan 0.000 0.423 93 T N 2.249 116.617 114.554 -0.311 0.000 2.913 93 T HA 0.547 4.898 4.350 0.001 0.000 0.297 93 T C -0.252 174.233 174.700 -0.358 0.000 1.029 93 T CA 0.102 62.047 62.100 -0.258 0.000 1.104 93 T CB 0.596 69.155 68.868 -0.514 0.000 0.964 93 T HN 0.034 nan 8.240 nan 0.000 0.532 94 F N 0.252 120.113 119.950 -0.149 0.000 2.598 94 F HA 0.417 4.945 4.527 0.001 0.000 0.327 94 F C 0.646 176.416 175.800 -0.050 0.000 1.057 94 F CA -1.426 56.519 58.000 -0.092 0.000 0.957 94 F CB 0.864 39.831 39.000 -0.055 0.000 1.278 94 F HN 0.320 nan 8.300 nan 0.000 0.484 95 E N 0.423 120.717 120.200 0.156 0.000 2.442 95 E HA -0.006 4.345 4.350 0.001 0.000 0.262 95 E C -0.022 176.641 176.600 0.105 0.000 1.004 95 E CA -0.039 56.424 56.400 0.104 0.000 0.928 95 E CB 0.479 30.231 29.700 0.087 0.000 0.937 95 E HN 0.442 nan 8.360 nan 0.000 0.446 96 S N 0.693 116.444 115.700 0.085 0.000 2.563 96 S HA 0.258 4.729 4.470 0.001 0.000 0.284 96 S C 1.329 175.971 174.600 0.070 0.000 1.331 96 S CA 0.906 59.155 58.200 0.081 0.000 1.047 96 S CB 0.101 63.350 63.200 0.082 0.000 0.859 96 S HN 0.706 nan 8.310 nan 0.000 0.514 97 G N 2.854 111.691 108.800 0.061 0.000 2.189 97 G HA2 -0.268 3.692 3.960 0.001 0.000 0.267 97 G HA3 -0.268 3.692 3.960 0.001 0.000 0.267 97 G C 0.453 175.370 174.900 0.028 0.000 0.975 97 G CA 0.655 45.780 45.100 0.042 0.000 0.644 97 G HN 0.888 nan 8.290 nan 0.000 0.537 98 T N 0.805 115.383 114.554 0.041 0.000 2.791 98 T HA 0.235 4.586 4.350 0.001 0.000 0.323 98 T C 0.454 175.143 174.700 -0.017 0.000 1.082 98 T CA 0.591 62.709 62.100 0.030 0.000 1.084 98 T CB 0.447 69.364 68.868 0.081 0.000 0.992 98 T HN 0.239 nan 8.240 nan 0.000 0.547 99 D N 1.675 122.053 120.400 -0.036 0.000 2.429 99 D HA 0.162 4.803 4.640 0.001 0.000 0.253 99 D C 1.306 177.527 176.300 -0.131 0.000 1.294 99 D CA -0.015 53.944 54.000 -0.067 0.000 1.063 99 D CB 0.037 40.803 40.800 -0.057 0.000 1.096 99 D HN 0.603 nan 8.370 nan 0.000 0.516 100 A N 4.054 126.805 122.820 -0.115 0.000 1.985 100 A HA -0.272 4.049 4.320 0.001 0.000 0.223 100 A C 1.847 179.319 177.584 -0.186 0.000 1.189 100 A CA 1.645 53.593 52.037 -0.149 0.000 0.658 100 A CB -0.056 18.894 19.000 -0.082 0.000 0.820 100 A HN 0.510 nan 8.150 nan 0.000 0.464 101 D N -0.167 120.153 120.400 -0.134 0.000 2.106 101 D HA -0.074 4.566 4.640 0.001 0.000 0.203 101 D C 2.027 178.244 176.300 -0.138 0.000 0.977 101 D CA 1.525 55.456 54.000 -0.116 0.000 0.844 101 D CB -0.330 40.426 40.800 -0.074 0.000 1.002 101 D HN 0.486 nan 8.370 nan 0.000 0.461 102 I N 0.963 121.457 120.570 -0.126 0.000 2.830 102 I HA -0.046 4.124 4.170 0.001 0.000 0.263 102 I C 2.406 178.412 176.117 -0.184 0.000 1.230 102 I CA 0.355 61.588 61.300 -0.112 0.000 1.480 102 I CB -1.471 36.490 38.000 -0.065 0.000 1.095 102 I HN -0.186 nan 8.210 nan 0.000 0.455 103 A N 1.398 124.011 122.820 -0.345 0.000 1.873 103 A HA -0.287 4.033 4.320 0.001 0.000 0.218 103 A C 2.409 179.601 177.584 -0.655 0.000 1.193 103 A CA 2.119 53.653 52.037 -0.838 0.000 0.629 103 A CB -0.908 17.415 19.000 -1.128 0.000 0.826 103 A HN 0.533 nan 8.150 nan 0.000 0.447 104 Q N -0.331 119.239 119.800 -0.383 0.000 2.226 104 Q HA -0.105 4.236 4.340 0.001 0.000 0.204 104 Q C 1.946 177.886 176.000 -0.101 0.000 0.975 104 Q CA 1.726 57.413 55.803 -0.194 0.000 0.866 104 Q CB -0.132 28.526 28.738 -0.133 0.000 0.915 104 Q HN 0.488 nan 8.270 nan 0.000 0.440 105 V N 0.784 120.639 119.914 -0.098 0.000 2.302 105 V HA -0.228 3.893 4.120 0.001 0.000 0.243 105 V C 2.041 178.127 176.094 -0.012 0.000 1.036 105 V CA 1.715 63.987 62.300 -0.047 0.000 1.020 105 V CB -0.511 31.285 31.823 -0.046 0.000 0.657 105 V HN 0.366 nan 8.190 nan 0.000 0.453 106 Q N -0.329 119.473 119.800 0.004 0.000 2.443 106 Q HA -0.130 4.210 4.340 0.001 0.000 0.213 106 Q C 2.096 178.136 176.000 0.066 0.000 0.982 106 Q CA 1.071 56.901 55.803 0.045 0.000 0.894 106 Q CB -0.251 28.536 28.738 0.082 0.000 0.947 106 Q HN 0.517 nan 8.270 nan 0.000 0.480 107 V N 0.150 120.107 119.914 0.072 0.000 2.407 107 V HA -0.217 3.903 4.120 0.001 0.000 0.245 107 V C 2.170 178.283 176.094 0.033 0.000 1.041 107 V CA 1.595 63.938 62.300 0.071 0.000 1.040 107 V CB -0.289 31.592 31.823 0.098 0.000 0.671 107 V HN 0.278 nan 8.190 nan 0.000 0.455 108 Q N 1.364 121.174 119.800 0.016 0.000 2.030 108 Q HA -0.235 4.105 4.340 0.001 0.000 0.204 108 Q C 2.134 178.138 176.000 0.006 0.000 0.986 108 Q CA 2.365 58.172 55.803 0.006 0.000 0.843 108 Q CB -0.872 27.864 28.738 -0.003 0.000 0.904 108 Q HN 0.687 nan 8.270 nan 0.000 0.420 109 N N -0.071 118.634 118.700 0.008 0.000 2.036 109 N HA -0.204 4.537 4.740 0.001 0.000 0.195 109 N C 1.081 176.595 175.510 0.007 0.000 1.037 109 N CA 1.655 54.709 53.050 0.007 0.000 0.855 109 N CB -0.089 38.403 38.487 0.008 0.000 1.033 109 N HN 0.161 nan 8.380 nan 0.000 0.423 110 K N 0.505 120.912 120.400 0.011 0.000 2.459 110 K HA 0.044 4.364 4.320 0.001 0.000 0.193 110 K C 1.508 178.110 176.600 0.004 0.000 1.030 110 K CA -0.174 56.117 56.287 0.007 0.000 1.026 110 K CB 0.043 32.549 32.500 0.010 0.000 0.809 110 K HN 0.305 nan 8.250 nan 0.000 0.504 111 L N 0.730 121.957 121.223 0.006 0.000 2.341 111 L HA -0.042 4.298 4.340 0.001 0.000 0.214 111 L C 1.381 178.250 176.870 -0.001 0.000 1.115 111 L CA 1.288 56.129 54.840 0.002 0.000 0.820 111 L CB 0.082 42.143 42.059 0.004 0.000 0.944 111 L HN 0.093 nan 8.230 nan 0.000 0.452 112 Q N -0.320 119.480 119.800 -0.000 0.000 2.297 112 Q HA 0.101 4.442 4.340 0.001 0.000 0.203 112 Q C 2.049 178.048 176.000 -0.002 0.000 0.931 112 Q CA 0.678 56.481 55.803 -0.001 0.000 0.885 112 Q CB 0.071 28.809 28.738 0.000 0.000 0.991 112 Q HN 0.479 nan 8.270 nan 0.000 0.498 113 L N -0.295 120.927 121.223 -0.002 0.000 2.622 113 L HA 0.091 4.432 4.340 0.001 0.000 0.233 113 L C 1.641 178.507 176.870 -0.005 0.000 1.156 113 L CA 0.688 55.527 54.840 -0.003 0.000 0.866 113 L CB -0.315 41.743 42.059 -0.002 0.000 0.980 113 L HN 0.017 nan 8.230 nan 0.000 0.448 114 A N -1.446 121.371 122.820 -0.007 0.000 2.138 114 A HA 0.103 4.423 4.320 0.001 0.000 0.203 114 A C 2.151 179.727 177.584 -0.013 0.000 1.286 114 A CA -0.160 51.871 52.037 -0.011 0.000 0.929 114 A CB 0.054 19.047 19.000 -0.012 0.000 0.975 114 A HN 0.061 nan 8.150 nan 0.000 0.480 115 M N 0.664 120.258 119.600 -0.010 0.000 2.471 115 M HA -0.137 4.344 4.480 0.001 0.000 0.260 115 M C -1.252 175.041 176.300 -0.012 0.000 1.065 115 M CA 1.878 57.172 55.300 -0.010 0.000 1.075 115 M CB -2.076 30.521 32.600 -0.004 0.000 1.258 115 M HN 0.156 nan 8.290 nan 0.000 0.457 116 P HA 0.175 nan 4.420 nan 0.000 0.243 116 P C 0.778 178.072 177.300 -0.010 0.000 1.668 116 P CA 0.486 63.583 63.100 -0.006 0.000 0.898 116 P CB -0.522 31.178 31.700 -0.000 0.000 1.637 117 L N -1.514 119.698 121.223 -0.018 0.000 2.547 117 L HA 0.191 4.531 4.340 0.001 0.000 0.218 117 L C 0.999 177.846 176.870 -0.039 0.000 1.048 117 L CA 0.106 54.932 54.840 -0.023 0.000 0.859 117 L CB -0.269 41.776 42.059 -0.022 0.000 1.128 117 L HN -0.089 nan 8.230 nan 0.000 0.483 118 L N 0.869 122.061 121.223 -0.052 0.000 2.483 118 L HA 0.135 4.476 4.340 0.001 0.000 0.276 118 L C -2.078 174.742 176.870 -0.083 0.000 1.213 118 L CA -1.793 52.993 54.840 -0.091 0.000 0.843 118 L CB -0.759 41.242 42.059 -0.096 0.000 1.107 118 L HN -0.199 nan 8.230 nan 0.000 0.487 119 P HA -0.080 nan 4.420 nan 0.000 0.267 119 P C 0.271 177.566 177.300 -0.009 0.000 1.201 119 P CA -0.119 62.943 63.100 -0.064 0.000 0.775 119 P CB 0.454 32.090 31.700 -0.107 0.000 0.854 120 Q N 1.720 121.547 119.800 0.046 0.000 2.133 120 Q HA -0.308 4.033 4.340 0.001 0.000 0.208 120 Q C 1.076 177.138 176.000 0.104 0.000 0.991 120 Q CA 2.150 57.995 55.803 0.071 0.000 0.867 120 Q CB -0.076 28.712 28.738 0.084 0.000 0.911 120 Q HN 0.429 nan 8.270 nan 0.000 0.417 121 E N -0.206 120.089 120.200 0.159 0.000 2.077 121 E HA -0.149 4.202 4.350 0.001 0.000 0.193 121 E C 2.083 178.774 176.600 0.153 0.000 0.989 121 E CA 1.566 58.096 56.400 0.216 0.000 0.800 121 E CB -0.204 29.698 29.700 0.338 0.000 0.746 121 E HN 0.283 nan 8.360 nan 0.000 0.452 122 V N 1.043 121.009 119.914 0.086 0.000 2.407 122 V HA -0.298 3.823 4.120 0.001 0.000 0.248 122 V C 2.146 178.242 176.094 0.003 0.000 1.055 122 V CA 1.920 64.225 62.300 0.008 0.000 1.049 122 V CB -0.799 30.936 31.823 -0.147 0.000 0.662 122 V HN 0.231 nan 8.190 nan 0.000 0.455 123 Q N 0.793 120.598 119.800 0.009 0.000 2.046 123 Q HA -0.266 4.075 4.340 0.001 0.000 0.200 123 Q C 2.438 178.455 176.000 0.028 0.000 0.975 123 Q CA 1.965 57.777 55.803 0.014 0.000 0.836 123 Q CB -0.262 28.488 28.738 0.019 0.000 0.896 123 Q HN 0.894 nan 8.270 nan 0.000 0.428 124 Q N 0.164 119.999 119.800 0.058 0.000 2.311 124 Q HA -0.165 4.176 4.340 0.001 0.000 0.203 124 Q C 1.712 177.693 176.000 -0.032 0.000 0.954 124 Q CA 1.041 56.891 55.803 0.078 0.000 0.885 124 Q CB -0.031 28.820 28.738 0.188 0.000 0.963 124 Q HN 0.152 nan 8.270 nan 0.000 0.471 125 Q N 1.139 120.894 119.800 -0.074 0.000 2.472 125 Q HA 0.150 4.491 4.340 0.001 0.000 0.208 125 Q C -0.113 175.828 176.000 -0.098 0.000 0.958 125 Q CA 0.910 56.607 55.803 -0.177 0.000 0.932 125 Q CB 0.039 28.736 28.738 -0.069 0.000 1.007 125 Q HN 0.552 nan 8.270 nan 0.000 0.508 126 G N -0.336 108.436 108.800 -0.047 0.000 3.285 126 G HA2 -0.167 3.793 3.960 0.001 0.000 0.685 126 G HA3 -0.167 3.793 3.960 0.001 0.000 0.685 126 G C -0.560 174.332 174.900 -0.014 0.000 0.938 126 G CA -0.185 44.899 45.100 -0.026 0.000 0.778 126 G HN 0.188 nan 8.290 nan 0.000 0.515 127 V N 1.881 121.791 119.914 -0.007 0.000 2.953 127 V HA 0.787 4.907 4.120 0.001 0.000 0.304 127 V C 1.069 177.162 176.094 -0.001 0.000 1.073 127 V CA 0.376 62.674 62.300 -0.003 0.000 1.064 127 V CB 1.840 33.660 31.823 -0.004 0.000 1.047 127 V HN 1.932 nan 8.190 nan 0.000 0.478 128 S N 1.158 116.860 115.700 0.003 0.000 2.496 128 S HA 0.501 4.972 4.470 0.001 0.000 0.221 128 S C -1.083 173.521 174.600 0.006 0.000 1.260 128 S CA -0.639 57.562 58.200 0.003 0.000 1.181 128 S CB 0.820 64.022 63.200 0.003 0.000 1.136 128 S HN 0.395 nan 8.310 nan 0.000 0.467 129 V N 3.271 123.187 119.914 0.004 0.000 2.498 129 V HA 0.559 4.679 4.120 0.001 0.000 0.279 129 V C 0.176 176.270 176.094 -0.000 0.000 1.048 129 V CA -0.038 62.266 62.300 0.006 0.000 0.967 129 V CB 0.915 32.741 31.823 0.006 0.000 0.988 129 V HN 0.914 nan 8.190 nan 0.000 0.473 130 E N 2.347 122.547 120.200 0.001 0.000 2.446 130 E HA 0.456 4.807 4.350 0.001 0.000 0.276 130 E C -0.590 176.003 176.600 -0.011 0.000 0.969 130 E CA -0.925 55.471 56.400 -0.006 0.000 0.800 130 E CB 1.947 31.645 29.700 -0.003 0.000 1.341 130 E HN 0.709 nan 8.360 nan 0.000 0.460 131 K N 0.273 120.661 120.400 -0.021 0.000 2.965 131 K HA 0.383 4.703 4.320 0.001 0.000 0.216 131 K C 0.041 176.634 176.600 -0.011 0.000 1.164 131 K CA -0.330 55.939 56.287 -0.029 0.000 1.153 131 K CB 0.996 33.461 32.500 -0.058 0.000 1.045 131 K HN 0.215 nan 8.250 nan 0.000 0.460 132 S N 0.322 116.021 115.700 -0.000 0.000 2.580 132 S HA -0.019 4.452 4.470 0.001 0.000 0.261 132 S C 0.806 175.413 174.600 0.013 0.000 1.366 132 S CA -0.115 58.088 58.200 0.004 0.000 0.996 132 S CB 0.941 64.140 63.200 -0.002 0.000 0.902 132 S HN 0.586 nan 8.310 nan 0.000 0.566 133 S N 0.610 116.319 115.700 0.015 0.000 2.074 133 S HA 0.191 4.662 4.470 0.001 0.000 0.169 133 S C 1.120 175.734 174.600 0.023 0.000 1.394 133 S CA 0.799 59.017 58.200 0.030 0.000 1.971 133 S CB -0.145 63.080 63.200 0.042 0.000 0.449 133 S HN 0.794 nan 8.310 nan 0.000 0.364 134 S N -1.233 114.478 115.700 0.019 0.000 2.583 134 S HA 0.329 4.800 4.470 0.001 0.000 0.264 134 S C -0.989 173.606 174.600 -0.007 0.000 1.008 134 S CA 0.404 58.609 58.200 0.010 0.000 1.435 134 S CB -0.179 63.052 63.200 0.051 0.000 1.236 134 S HN 0.974 nan 8.310 nan 0.000 0.669 135 S N -0.065 115.630 115.700 -0.008 0.000 2.595 135 S HA 0.609 5.080 4.470 0.001 0.000 0.270 135 S C -1.115 173.487 174.600 0.003 0.000 1.145 135 S CA -0.812 57.409 58.200 0.035 0.000 0.825 135 S CB 0.117 63.471 63.200 0.256 0.000 1.107 135 S HN 0.141 nan 8.310 nan 0.000 0.461 136 F N 2.116 122.186 119.950 0.200 0.000 2.541 136 F HA 0.230 4.758 4.527 0.001 0.000 0.378 136 F C 1.543 177.392 175.800 0.081 0.000 1.068 136 F CA -0.557 57.466 58.000 0.039 0.000 1.199 136 F CB 0.529 39.365 39.000 -0.273 0.000 1.091 136 F HN 0.647 nan 8.300 nan 0.000 0.555 137 L N 5.102 126.469 121.223 0.241 0.000 1.982 137 L HA 0.112 4.453 4.340 0.001 0.000 0.206 137 L C 0.337 177.359 176.870 0.253 0.000 1.078 137 L CA 1.607 56.580 54.840 0.221 0.000 0.749 137 L CB -0.240 41.913 42.059 0.157 0.000 0.894 137 L HN 0.685 nan 8.230 nan 0.000 0.436 138 M N -2.216 117.496 119.600 0.187 0.000 2.682 138 M HA 0.638 5.118 4.480 0.001 0.000 0.272 138 M C -1.478 174.862 176.300 0.067 0.000 1.232 138 M CA -0.679 54.731 55.300 0.184 0.000 0.849 138 M CB 1.806 34.515 32.600 0.182 0.000 1.695 138 M HN -0.266 nan 8.290 nan 0.000 0.481 139 V N 1.351 121.285 119.914 0.032 0.000 2.715 139 V HA 0.833 4.953 4.120 0.001 0.000 0.310 139 V C -0.923 175.164 176.094 -0.012 0.000 1.054 139 V CA -0.766 61.513 62.300 -0.036 0.000 0.928 139 V CB 2.139 33.839 31.823 -0.206 0.000 1.007 139 V HN 0.768 nan 8.190 nan 0.000 0.437 140 V N 2.563 122.457 119.914 -0.034 0.000 2.305 140 V HA 0.583 4.704 4.120 0.001 0.000 0.275 140 V C 0.660 176.659 176.094 -0.158 0.000 1.020 140 V CA -0.510 61.776 62.300 -0.024 0.000 0.811 140 V CB 1.114 32.969 31.823 0.054 0.000 1.031 140 V HN 0.963 nan 8.190 nan 0.000 0.439 141 G N 3.199 111.806 108.800 -0.321 0.000 2.432 141 G HA2 0.552 4.513 3.960 0.001 0.000 0.257 141 G HA3 0.552 4.513 3.960 0.001 0.000 0.257 141 G C -0.662 174.027 174.900 -0.351 0.000 1.238 141 G CA -0.193 44.641 45.100 -0.444 0.000 0.838 141 G HN 0.567 nan 8.290 nan 0.000 0.547 142 V N 2.816 122.594 119.914 -0.228 0.000 2.789 142 V HA 0.713 4.833 4.120 0.001 0.000 0.311 142 V C 0.090 176.086 176.094 -0.163 0.000 1.073 142 V CA -0.581 61.602 62.300 -0.195 0.000 0.921 142 V CB 1.475 33.242 31.823 -0.093 0.000 1.009 142 V HN 0.884 nan 8.190 nan 0.000 0.426 143 I N 0.113 120.570 120.570 -0.187 0.000 3.279 143 I HA 0.673 4.843 4.170 0.001 0.000 0.315 143 I C -1.111 174.930 176.117 -0.126 0.000 1.225 143 I CA -0.874 60.356 61.300 -0.117 0.000 0.947 143 I CB 2.469 40.410 38.000 -0.099 0.000 1.293 143 I HN 0.474 nan 8.210 nan 0.000 0.468 144 N N 1.158 119.813 118.700 -0.075 0.000 2.444 144 N HA 0.388 5.129 4.740 0.001 0.000 0.262 144 N C 0.204 175.679 175.510 -0.058 0.000 0.974 144 N CA -0.272 52.729 53.050 -0.082 0.000 0.933 144 N CB 1.771 40.224 38.487 -0.057 0.000 1.137 144 N HN 0.795 nan 8.380 nan 0.000 0.498 145 T N 1.333 115.841 114.554 -0.076 0.000 2.590 145 T HA -0.157 4.194 4.350 0.001 0.000 0.257 145 T C 1.001 175.680 174.700 -0.034 0.000 1.080 145 T CA 1.547 63.616 62.100 -0.052 0.000 1.180 145 T CB -0.295 68.535 68.868 -0.063 0.000 0.865 145 T HN 0.697 nan 8.240 nan 0.000 0.403 146 D N 1.417 121.794 120.400 -0.039 0.000 2.310 146 D HA 0.059 4.699 4.640 0.001 0.000 0.212 146 D C 1.518 177.808 176.300 -0.016 0.000 0.965 146 D CA 0.887 54.873 54.000 -0.024 0.000 0.879 146 D CB -0.930 39.855 40.800 -0.025 0.000 0.921 146 D HN 0.649 nan 8.370 nan 0.000 0.510 147 G N 0.769 109.558 108.800 -0.019 0.000 2.198 147 G HA2 -0.309 3.652 3.960 0.001 0.000 0.257 147 G HA3 -0.309 3.652 3.960 0.001 0.000 0.257 147 G C 0.835 175.734 174.900 -0.002 0.000 1.042 147 G CA 0.925 46.020 45.100 -0.007 0.000 0.791 147 G HN 0.580 nan 8.290 nan 0.000 0.502 148 T N -2.543 112.006 114.554 -0.009 0.000 3.129 148 T HA 0.522 4.872 4.350 0.001 0.000 0.251 148 T C 1.087 175.794 174.700 0.013 0.000 1.117 148 T CA 1.117 63.218 62.100 0.002 0.000 1.034 148 T CB -0.111 68.755 68.868 -0.003 0.000 0.968 148 T HN 1.246 nan 8.240 nan 0.000 0.526 149 M N 0.132 119.737 119.600 0.008 0.000 2.716 149 M HA 0.680 5.160 4.480 0.001 0.000 0.278 149 M C -1.108 175.210 176.300 0.029 0.000 1.281 149 M CA -0.930 54.386 55.300 0.027 0.000 0.814 149 M CB 1.803 34.413 32.600 0.018 0.000 1.719 149 M HN 0.055 nan 8.290 nan 0.000 0.457 150 T N -2.239 112.343 114.554 0.048 0.000 2.858 150 T HA 0.382 4.733 4.350 0.001 0.000 0.285 150 T C 0.562 175.284 174.700 0.036 0.000 1.052 150 T CA -0.684 61.448 62.100 0.052 0.000 1.009 150 T CB 1.380 70.300 68.868 0.086 0.000 1.241 150 T HN 0.799 nan 8.240 nan 0.000 0.542 151 Q N 0.579 120.403 119.800 0.041 0.000 2.557 151 Q HA -0.006 4.335 4.340 0.001 0.000 0.217 151 Q C 0.702 176.706 176.000 0.007 0.000 0.978 151 Q CA 0.857 56.675 55.803 0.025 0.000 0.950 151 Q CB -0.234 28.522 28.738 0.030 0.000 0.991 151 Q HN 0.896 nan 8.270 nan 0.000 0.533 152 E N -0.529 119.670 120.200 -0.001 0.000 2.603 152 E HA 0.029 4.379 4.350 0.001 0.000 0.218 152 E C 0.840 177.268 176.600 -0.287 0.000 0.878 152 E CA -0.093 56.255 56.400 -0.087 0.000 1.348 152 E CB -0.189 29.508 29.700 -0.006 0.000 1.318 152 E HN 0.107 nan 8.360 nan 0.000 0.673 153 D N 1.388 121.707 120.400 -0.135 0.000 2.183 153 D HA 0.049 4.690 4.640 0.001 0.000 0.203 153 D C 1.903 178.127 176.300 -0.127 0.000 0.969 153 D CA 0.636 54.539 54.000 -0.160 0.000 0.842 153 D CB 0.263 41.127 40.800 0.106 0.000 0.957 153 D HN 0.169 nan 8.370 nan 0.000 0.484 154 I N 0.343 120.873 120.570 -0.067 0.000 2.233 154 I HA -0.205 3.965 4.170 0.001 0.000 0.243 154 I C 2.599 178.707 176.117 -0.015 0.000 1.093 154 I CA 0.451 61.739 61.300 -0.020 0.000 1.380 154 I CB -0.125 37.862 38.000 -0.021 0.000 1.067 154 I HN -0.138 nan 8.210 nan 0.000 0.413 155 S N 0.387 116.049 115.700 -0.064 0.000 2.369 155 S HA -0.330 4.140 4.470 0.001 0.000 0.225 155 S C 1.695 176.228 174.600 -0.112 0.000 1.043 155 S CA 2.239 60.399 58.200 -0.068 0.000 1.074 155 S CB -0.511 62.634 63.200 -0.093 0.000 0.962 155 S HN 0.546 nan 8.310 nan 0.000 0.433 156 D N -0.216 120.024 120.400 -0.267 0.000 2.120 156 D HA -0.225 4.416 4.640 0.001 0.000 0.191 156 D C 1.836 178.075 176.300 -0.102 0.000 0.994 156 D CA 1.813 55.638 54.000 -0.291 0.000 0.838 156 D CB -0.499 39.883 40.800 -0.698 0.000 0.976 156 D HN 0.457 nan 8.370 nan 0.000 0.447 157 Y N 0.289 120.523 120.300 -0.110 0.000 2.132 157 Y HA -0.295 4.256 4.550 0.001 0.000 0.280 157 Y C 2.156 178.067 175.900 0.018 0.000 1.193 157 Y CA 2.068 60.162 58.100 -0.010 0.000 1.157 157 Y CB -0.520 37.950 38.460 0.016 0.000 0.966 157 Y HN -0.002 nan 8.280 nan 0.000 0.511 158 V N 0.327 120.307 119.914 0.111 0.000 2.237 158 V HA -0.358 3.763 4.120 0.001 0.000 0.245 158 V C 2.685 178.745 176.094 -0.057 0.000 1.046 158 V CA 2.132 64.470 62.300 0.065 0.000 1.007 158 V CB -1.640 30.240 31.823 0.094 0.000 0.638 158 V HN 0.578 nan 8.190 nan 0.000 0.445 159 A N -0.558 122.227 122.820 -0.059 0.000 2.076 159 A HA -0.033 4.287 4.320 0.001 0.000 0.220 159 A C 2.190 179.720 177.584 -0.090 0.000 1.160 159 A CA 2.107 54.105 52.037 -0.065 0.000 0.653 159 A CB -0.496 18.468 19.000 -0.059 0.000 0.801 159 A HN 0.628 nan 8.150 nan 0.000 0.455 160 A N -1.489 121.247 122.820 -0.139 0.000 2.115 160 A HA 0.175 4.496 4.320 0.001 0.000 0.211 160 A C 1.683 179.143 177.584 -0.207 0.000 1.169 160 A CA 1.114 53.062 52.037 -0.148 0.000 0.787 160 A CB -0.023 18.901 19.000 -0.125 0.000 0.858 160 A HN 0.467 nan 8.150 nan 0.000 0.474 161 N N -1.570 116.934 118.700 -0.327 0.000 2.460 161 N HA 0.235 4.975 4.740 0.001 0.000 0.193 161 N C 1.511 176.923 175.510 -0.164 0.000 1.080 161 N CA 0.873 53.716 53.050 -0.346 0.000 0.869 161 N CB 0.211 38.225 38.487 -0.787 0.000 1.201 161 N HN 0.389 nan 8.380 nan 0.000 0.457 162 M N -0.818 118.721 119.600 -0.103 0.000 2.925 162 M HA 0.195 4.676 4.480 0.001 0.000 0.249 162 M C 1.778 178.081 176.300 0.004 0.000 1.439 162 M CA 0.386 55.689 55.300 0.005 0.000 1.217 162 M CB 0.081 32.745 32.600 0.107 0.000 1.245 162 M HN -0.110 nan 8.290 nan 0.000 0.552 163 K N 1.184 121.578 120.400 -0.010 0.000 2.148 163 K HA -0.167 4.154 4.320 0.001 0.000 0.204 163 K C 0.860 177.450 176.600 -0.017 0.000 1.050 163 K CA 1.668 57.950 56.287 -0.008 0.000 0.942 163 K CB 0.019 32.509 32.500 -0.017 0.000 0.724 163 K HN 0.107 nan 8.250 nan 0.000 0.446 164 D N -0.734 119.647 120.400 -0.032 0.000 2.352 164 D HA 0.060 4.700 4.640 0.001 0.000 0.232 164 D C 0.826 177.112 176.300 -0.024 0.000 1.055 164 D CA 0.504 54.485 54.000 -0.032 0.000 0.891 164 D CB 0.449 41.222 40.800 -0.045 0.000 0.897 164 D HN 0.398 nan 8.370 nan 0.000 0.529 165 A N -0.397 122.414 122.820 -0.016 0.000 1.988 165 A HA 0.103 4.424 4.320 0.001 0.000 0.201 165 A C 1.833 179.418 177.584 0.001 0.000 1.410 165 A CA -0.130 51.902 52.037 -0.008 0.000 0.832 165 A CB -0.067 18.931 19.000 -0.005 0.000 0.981 165 A HN 0.114 nan 8.150 nan 0.000 0.492 166 I N 2.269 122.844 120.570 0.009 0.000 2.145 166 I HA -0.282 3.888 4.170 0.001 0.000 0.244 166 I C 2.757 178.881 176.117 0.013 0.000 1.075 166 I CA 2.386 63.696 61.300 0.017 0.000 1.332 166 I CB -1.477 36.539 38.000 0.027 0.000 1.033 166 I HN 0.503 nan 8.210 nan 0.000 0.410 167 S N 0.426 116.129 115.700 0.005 0.000 2.442 167 S HA -0.138 4.332 4.470 0.001 0.000 0.236 167 S C 1.574 176.175 174.600 0.001 0.000 1.007 167 S CA 0.650 58.852 58.200 0.002 0.000 0.965 167 S CB -0.438 62.759 63.200 -0.005 0.000 0.773 167 S HN 0.436 nan 8.310 nan 0.000 0.504 168 R N 1.732 122.232 120.500 0.000 0.000 4.048 168 R HA 0.261 4.601 4.340 0.001 0.000 0.290 168 R C -0.790 175.511 176.300 0.002 0.000 1.519 168 R CA 0.008 56.108 56.100 -0.001 0.000 1.446 168 R CB 0.070 30.367 30.300 -0.005 0.000 1.455 168 R HN 0.265 nan 8.270 nan 0.000 0.706 169 T N -0.374 114.183 114.554 0.006 0.000 3.418 169 T HA 0.028 4.378 4.350 0.001 0.000 0.315 169 T C -0.002 174.703 174.700 0.009 0.000 1.447 169 T CA -0.321 61.784 62.100 0.008 0.000 1.641 169 T CB 0.866 69.742 68.868 0.013 0.000 0.904 169 T HN 0.240 nan 8.240 nan 0.000 0.640 170 S N 1.406 117.109 115.700 0.005 0.000 3.749 170 S HA -0.087 4.383 4.470 0.001 0.000 0.348 170 S C 1.080 175.683 174.600 0.006 0.000 1.045 170 S CA 1.411 59.614 58.200 0.005 0.000 1.051 170 S CB -1.405 61.799 63.200 0.006 0.000 0.898 170 S HN 2.233 nan 8.310 nan 0.000 0.472 171 G N -1.042 107.761 108.800 0.005 0.000 2.427 171 G HA2 -0.119 3.842 3.960 0.001 0.000 0.193 171 G HA3 -0.119 3.842 3.960 0.001 0.000 0.193 171 G C -0.280 174.628 174.900 0.013 0.000 1.086 171 G CA -0.234 44.870 45.100 0.006 0.000 0.818 171 G HN 1.431 nan 8.290 nan 0.000 0.490 172 V N 1.555 121.477 119.914 0.013 0.000 2.184 172 V HA 0.490 4.610 4.120 0.001 0.000 0.262 172 V C 2.090 178.192 176.094 0.013 0.000 1.209 172 V CA 0.544 62.855 62.300 0.019 0.000 1.070 172 V CB 0.112 31.948 31.823 0.021 0.000 1.244 172 V HN 0.800 nan 8.190 nan 0.000 0.477 173 G N 3.551 112.358 108.800 0.012 0.000 2.808 173 G HA2 -0.295 3.665 3.960 0.001 0.000 0.225 173 G HA3 -0.295 3.665 3.960 0.001 0.000 0.225 173 G C 0.460 175.361 174.900 0.002 0.000 1.210 173 G CA 1.612 46.715 45.100 0.005 0.000 0.777 173 G HN 0.741 nan 8.290 nan 0.000 0.640 174 D N -1.557 118.845 120.400 0.003 0.000 2.613 174 D HA 0.401 5.042 4.640 0.001 0.000 0.230 174 D C -0.808 175.493 176.300 0.000 0.000 1.365 174 D CA -0.646 53.352 54.000 -0.003 0.000 0.976 174 D CB 1.646 42.441 40.800 -0.008 0.000 1.415 174 D HN 0.123 nan 8.370 nan 0.000 0.589 175 V N 3.408 123.320 119.914 -0.004 0.000 2.465 175 V HA 0.432 4.553 4.120 0.001 0.000 0.279 175 V C 0.073 176.139 176.094 -0.048 0.000 1.045 175 V CA -0.412 61.883 62.300 -0.007 0.000 0.938 175 V CB 1.402 33.223 31.823 -0.003 0.000 0.986 175 V HN 0.580 nan 8.190 nan 0.000 0.467 176 Q N 3.940 123.688 119.800 -0.087 0.000 2.347 176 Q HA 0.404 4.745 4.340 0.001 0.000 0.262 176 Q C -0.952 174.797 176.000 -0.417 0.000 0.980 176 Q CA -0.298 55.367 55.803 -0.230 0.000 0.867 176 Q CB 1.401 29.996 28.738 -0.238 0.000 1.242 176 Q HN 0.650 nan 8.270 nan 0.000 0.453 177 L N 5.310 126.351 121.223 -0.304 0.000 2.331 177 L HA 0.338 4.678 4.340 0.001 0.000 0.278 177 L C -0.956 175.712 176.870 -0.337 0.000 1.106 177 L CA 0.124 54.821 54.840 -0.239 0.000 0.824 177 L CB 0.130 42.124 42.059 -0.107 0.000 1.142 177 L HN 0.776 nan 8.230 nan 0.000 0.443 178 F N 5.352 125.283 119.950 -0.032 0.000 2.567 178 F HA 0.440 4.968 4.527 0.001 0.000 0.352 178 F C 1.163 176.924 175.800 -0.065 0.000 1.229 178 F CA 0.803 58.760 58.000 -0.072 0.000 1.228 178 F CB 0.212 39.215 39.000 0.006 0.000 1.568 178 F HN 0.767 nan 8.300 nan 0.000 0.634 179 G N 0.635 109.455 108.800 0.033 0.000 2.204 179 G HA2 0.159 4.119 3.960 0.001 0.000 0.153 179 G HA3 0.159 4.119 3.960 0.001 0.000 0.153 179 G C -1.038 173.834 174.900 -0.047 0.000 1.295 179 G CA -0.338 44.756 45.100 -0.010 0.000 1.257 179 G HN 0.539 nan 8.290 nan 0.000 0.495 180 S N -0.647 115.012 115.700 -0.068 0.000 2.548 180 S HA 0.513 4.983 4.470 0.001 0.000 0.278 180 S C -0.529 174.020 174.600 -0.084 0.000 1.150 180 S CA 0.410 58.571 58.200 -0.065 0.000 0.907 180 S CB 1.495 64.652 63.200 -0.072 0.000 1.108 180 S HN 0.971 nan 8.310 nan 0.000 0.459 181 Q N 2.917 122.690 119.800 -0.046 0.000 2.386 181 Q HA 0.098 4.438 4.340 0.001 0.000 0.282 181 Q C -0.847 175.179 176.000 0.043 0.000 1.050 181 Q CA 0.160 55.941 55.803 -0.037 0.000 0.918 181 Q CB 0.243 28.978 28.738 -0.005 0.000 1.266 181 Q HN 0.687 nan 8.270 nan 0.000 0.423 182 Y N 0.808 121.122 120.300 0.024 0.000 2.652 182 Y HA 0.202 4.752 4.550 0.001 0.000 0.344 182 Y C 0.324 176.280 175.900 0.093 0.000 1.254 182 Y CA 0.378 58.507 58.100 0.049 0.000 1.480 182 Y CB 0.632 39.132 38.460 0.066 0.000 1.345 182 Y HN 0.663 nan 8.280 nan 0.000 0.617 183 A N 3.319 126.320 122.820 0.303 0.000 2.488 183 A HA 0.525 4.846 4.320 0.001 0.000 0.298 183 A C -1.011 176.569 177.584 -0.008 0.000 1.044 183 A CA -1.003 51.169 52.037 0.225 0.000 0.693 183 A CB 1.023 20.160 19.000 0.229 0.000 1.272 183 A HN 0.682 nan 8.150 nan 0.000 0.402 184 M N 3.012 122.486 119.600 -0.210 0.000 2.513 184 M HA 0.178 4.659 4.480 0.001 0.000 0.341 184 M C -0.040 175.953 176.300 -0.511 0.000 1.689 184 M CA 0.729 55.537 55.300 -0.820 0.000 1.202 184 M CB -0.447 31.092 32.600 -1.768 0.000 1.996 184 M HN 0.512 nan 8.290 nan 0.000 0.458 185 R N 6.015 126.219 120.500 -0.493 0.000 2.255 185 R HA 0.470 4.811 4.340 0.001 0.000 0.326 185 R C -0.996 174.952 176.300 -0.586 0.000 0.986 185 R CA -0.395 55.372 56.100 -0.555 0.000 0.847 185 R CB 0.765 30.572 30.300 -0.821 0.000 1.111 185 R HN 0.752 nan 8.270 nan 0.000 0.452 186 I N 3.271 123.631 120.570 -0.351 0.000 2.330 186 I HA 0.203 4.374 4.170 0.001 0.000 0.286 186 I C -0.100 176.062 176.117 0.074 0.000 1.025 186 I CA -0.413 60.803 61.300 -0.141 0.000 1.197 186 I CB 0.988 38.981 38.000 -0.010 0.000 1.358 186 I HN 0.401 nan 8.210 nan 0.000 0.467 187 W N 7.818 129.119 121.300 0.001 0.000 2.422 187 W HA 0.367 5.027 4.660 0.001 0.000 0.349 187 W C 0.107 176.632 176.519 0.010 0.000 1.062 187 W CA -0.979 56.369 57.345 0.005 0.000 1.497 187 W CB 0.630 30.087 29.460 -0.005 0.000 1.407 187 W HN 0.279 nan 8.180 nan 0.000 0.393 188 M N 3.427 123.206 119.600 0.297 0.000 2.219 188 M HA 0.024 4.505 4.480 0.001 0.000 0.353 188 M C 0.210 176.537 176.300 0.045 0.000 1.304 188 M CA 0.546 55.942 55.300 0.159 0.000 1.115 188 M CB 0.402 33.114 32.600 0.188 0.000 1.664 188 M HN 0.264 nan 8.290 nan 0.000 0.459 189 N N 4.743 123.379 118.700 -0.106 0.000 2.443 189 N HA 0.370 5.110 4.740 0.001 0.000 0.269 189 N C -2.342 172.860 175.510 -0.513 0.000 0.985 189 N CA -2.181 50.609 53.050 -0.434 0.000 0.921 189 N CB 1.770 40.111 38.487 -0.243 0.000 1.195 189 N HN 0.193 nan 8.380 nan 0.000 0.492 190 P HA 0.037 nan 4.420 nan 0.000 0.221 190 P C 0.792 177.827 177.300 -0.443 0.000 1.155 190 P CA 0.697 63.370 63.100 -0.711 0.000 0.812 190 P CB 0.540 31.405 31.700 -1.392 0.000 0.801 191 N N 0.912 119.341 118.700 -0.452 0.000 2.011 191 N HA -0.199 4.542 4.740 0.001 0.000 0.199 191 N C 1.562 176.995 175.510 -0.128 0.000 1.047 191 N CA 1.490 54.411 53.050 -0.215 0.000 0.863 191 N CB -0.977 37.438 38.487 -0.119 0.000 1.056 191 N HN 0.336 nan 8.380 nan 0.000 0.427 192 E N 0.129 120.231 120.200 -0.163 0.000 2.409 192 E HA -0.033 4.318 4.350 0.001 0.000 0.198 192 E C 1.689 178.186 176.600 -0.172 0.000 1.024 192 E CA 0.191 56.482 56.400 -0.181 0.000 0.861 192 E CB 0.065 29.600 29.700 -0.275 0.000 0.788 192 E HN 0.349 nan 8.360 nan 0.000 0.521 193 L N 0.131 121.291 121.223 -0.105 0.000 2.253 193 L HA -0.016 4.324 4.340 0.001 0.000 0.205 193 L C 2.282 179.189 176.870 0.061 0.000 1.078 193 L CA 0.404 55.238 54.840 -0.010 0.000 0.805 193 L CB -0.198 41.880 42.059 0.031 0.000 0.963 193 L HN 0.193 nan 8.230 nan 0.000 0.459 194 N N 0.324 119.021 118.700 -0.006 0.000 2.106 194 N HA -0.245 4.495 4.740 0.001 0.000 0.188 194 N C 1.830 177.330 175.510 -0.016 0.000 1.029 194 N CA 1.040 54.047 53.050 -0.073 0.000 0.848 194 N CB 0.268 38.576 38.487 -0.298 0.000 1.007 194 N HN 0.013 nan 8.380 nan 0.000 0.423 195 K N 0.247 120.695 120.400 0.080 0.000 2.026 195 K HA -0.065 4.256 4.320 0.001 0.000 0.208 195 K C 0.952 177.581 176.600 0.048 0.000 1.048 195 K CA 1.404 57.738 56.287 0.078 0.000 0.929 195 K CB -0.201 32.422 32.500 0.205 0.000 0.713 195 K HN 0.163 nan 8.250 nan 0.000 0.439 196 F N 0.965 120.890 119.950 -0.043 0.000 2.732 196 F HA 0.213 4.740 4.527 0.001 0.000 0.303 196 F C -0.272 175.524 175.800 -0.007 0.000 1.110 196 F CA -0.194 57.793 58.000 -0.022 0.000 1.355 196 F CB -0.461 38.529 39.000 -0.017 0.000 1.081 196 F HN 0.000 nan 8.300 nan 0.000 0.565 197 Q N 0.915 120.802 119.800 0.146 0.000 2.453 197 Q HA -0.150 4.190 4.340 0.001 0.000 0.350 197 Q C -1.298 174.776 176.000 0.123 0.000 1.447 197 Q CA 0.494 56.361 55.803 0.107 0.000 0.968 197 Q CB -1.312 27.468 28.738 0.070 0.000 1.175 197 Q HN 0.420 nan 8.270 nan 0.000 0.354 198 L N 0.424 121.727 121.223 0.134 0.000 2.464 198 L HA 0.608 4.948 4.340 0.001 0.000 0.266 198 L C 0.381 177.341 176.870 0.149 0.000 0.965 198 L CA -0.746 54.168 54.840 0.123 0.000 0.833 198 L CB 2.127 44.244 42.059 0.097 0.000 1.296 198 L HN 0.325 nan 8.230 nan 0.000 0.405 199 T N -1.381 113.262 114.554 0.149 0.000 2.918 199 T HA 0.367 4.718 4.350 0.001 0.000 0.283 199 T C -2.124 172.667 174.700 0.152 0.000 1.001 199 T CA -1.951 60.257 62.100 0.180 0.000 1.041 199 T CB 1.599 70.563 68.868 0.160 0.000 1.028 199 T HN 0.278 nan 8.240 nan 0.000 0.511 200 P HA -0.076 nan 4.420 nan 0.000 0.221 200 P C 1.664 179.022 177.300 0.097 0.000 1.145 200 P CA 0.370 63.544 63.100 0.124 0.000 0.795 200 P CB -0.238 31.524 31.700 0.104 0.000 0.775 201 V N 0.541 120.515 119.914 0.101 0.000 2.231 201 V HA -0.296 3.825 4.120 0.001 0.000 0.248 201 V C 2.121 178.254 176.094 0.065 0.000 1.054 201 V CA 2.219 64.567 62.300 0.079 0.000 1.015 201 V CB -1.218 30.652 31.823 0.078 0.000 0.638 201 V HN 0.167 nan 8.190 nan 0.000 0.444 202 D N 0.024 120.465 120.400 0.068 0.000 2.123 202 D HA -0.135 4.506 4.640 0.001 0.000 0.196 202 D C 2.174 178.499 176.300 0.042 0.000 0.992 202 D CA 1.623 55.655 54.000 0.052 0.000 0.833 202 D CB -0.106 40.729 40.800 0.058 0.000 0.954 202 D HN 0.373 nan 8.370 nan 0.000 0.455 203 V N 1.320 121.265 119.914 0.052 0.000 2.343 203 V HA -0.216 3.904 4.120 0.001 0.000 0.247 203 V C 2.537 178.654 176.094 0.040 0.000 1.051 203 V CA 1.072 63.398 62.300 0.044 0.000 1.036 203 V CB -0.330 31.530 31.823 0.060 0.000 0.654 203 V HN 0.167 nan 8.190 nan 0.000 0.451 204 I N 0.502 121.101 120.570 0.048 0.000 2.252 204 I HA -0.208 3.963 4.170 0.001 0.000 0.245 204 I C 2.568 178.699 176.117 0.024 0.000 1.102 204 I CA 1.933 63.258 61.300 0.042 0.000 1.385 204 I CB -0.614 37.418 38.000 0.054 0.000 1.064 204 I HN 0.363 nan 8.210 nan 0.000 0.414 205 T N 0.586 115.154 114.554 0.023 0.000 2.777 205 T HA -0.095 4.256 4.350 0.001 0.000 0.266 205 T C 2.060 176.758 174.700 -0.004 0.000 1.040 205 T CA 1.144 63.252 62.100 0.012 0.000 1.141 205 T CB -0.446 68.432 68.868 0.017 0.000 0.868 205 T HN 0.425 nan 8.240 nan 0.000 0.444 206 A N 1.119 123.935 122.820 -0.008 0.000 1.972 206 A HA 0.021 4.342 4.320 0.001 0.000 0.219 206 A C 2.294 179.842 177.584 -0.061 0.000 1.169 206 A CA 1.012 53.031 52.037 -0.030 0.000 0.635 206 A CB -0.837 18.147 19.000 -0.027 0.000 0.810 206 A HN 0.536 nan 8.150 nan 0.000 0.446 207 I N -0.797 119.745 120.570 -0.048 0.000 2.202 207 I HA -0.222 3.948 4.170 0.001 0.000 0.242 207 I C 2.301 178.381 176.117 -0.061 0.000 1.091 207 I CA 1.413 62.674 61.300 -0.065 0.000 1.368 207 I CB -0.207 37.794 38.000 0.003 0.000 1.058 207 I HN 0.232 nan 8.210 nan 0.000 0.410 208 K N 0.620 120.999 120.400 -0.034 0.000 2.362 208 K HA -0.049 4.272 4.320 0.001 0.000 0.200 208 K C 1.938 178.518 176.600 -0.033 0.000 1.046 208 K CA 0.982 57.252 56.287 -0.029 0.000 0.952 208 K CB 0.012 32.503 32.500 -0.014 0.000 0.753 208 K HN 0.332 nan 8.250 nan 0.000 0.466 209 A N 0.854 123.649 122.820 -0.041 0.000 1.859 209 A HA -0.070 4.250 4.320 0.001 0.000 0.212 209 A C 1.981 179.528 177.584 -0.061 0.000 1.238 209 A CA 0.676 52.688 52.037 -0.041 0.000 0.613 209 A CB -0.260 18.719 19.000 -0.035 0.000 0.904 209 A HN 0.126 nan 8.150 nan 0.000 0.457 210 Q N -0.490 119.255 119.800 -0.093 0.000 2.033 210 Q HA -0.063 4.278 4.340 0.001 0.000 0.196 210 Q C 0.560 176.471 176.000 -0.148 0.000 0.970 210 Q CA 1.009 56.739 55.803 -0.121 0.000 0.828 210 Q CB -0.053 28.594 28.738 -0.151 0.000 0.895 210 Q HN 0.628 nan 8.270 nan 0.000 0.440 211 N N 0.621 119.194 118.700 -0.211 0.000 2.739 211 N HA 0.277 5.017 4.740 0.001 0.000 0.266 211 N C -1.739 173.735 175.510 -0.060 0.000 1.168 211 N CA -0.019 52.919 53.050 -0.187 0.000 1.055 211 N CB 0.304 38.583 38.487 -0.347 0.000 1.393 211 N HN 0.210 nan 8.380 nan 0.000 0.514 212 A N 2.071 124.868 122.820 -0.039 0.000 2.566 212 A HA 0.361 4.682 4.320 0.001 0.000 0.297 212 A C -1.098 176.480 177.584 -0.009 0.000 1.059 212 A CA -0.880 51.148 52.037 -0.015 0.000 0.691 212 A CB 1.235 20.223 19.000 -0.021 0.000 1.282 212 A HN 0.423 nan 8.150 nan 0.000 0.401 213 Q N 0.883 120.682 119.800 -0.001 0.000 2.288 213 Q HA 0.484 4.825 4.340 0.001 0.000 0.254 213 Q C -0.496 175.502 176.000 -0.003 0.000 0.932 213 Q CA -0.132 55.670 55.803 -0.001 0.000 0.902 213 Q CB 1.777 30.516 28.738 0.002 0.000 1.203 213 Q HN 0.561 nan 8.270 nan 0.000 0.415 214 V N 1.079 120.991 119.914 -0.005 0.000 2.555 214 V HA 0.429 4.550 4.120 0.001 0.000 0.302 214 V C 0.110 176.202 176.094 -0.003 0.000 1.038 214 V CA -1.317 60.980 62.300 -0.005 0.000 0.887 214 V CB 1.470 33.289 31.823 -0.007 0.000 0.991 214 V HN 0.888 nan 8.190 nan 0.000 0.434 215 A N 3.304 126.123 122.820 -0.002 0.000 2.581 215 A HA 0.369 4.689 4.320 0.001 0.000 0.257 215 A C 1.109 178.691 177.584 -0.002 0.000 1.022 215 A CA 0.978 53.014 52.037 -0.002 0.000 0.812 215 A CB -0.272 18.727 19.000 -0.001 0.000 0.918 215 A HN 1.468 nan 8.150 nan 0.000 0.516 216 A N 3.203 126.022 122.820 -0.002 0.000 2.901 216 A HA 0.784 5.104 4.320 0.001 0.000 0.212 216 A C 1.427 179.010 177.584 -0.002 0.000 2.026 216 A CA 1.113 53.148 52.037 -0.003 0.000 0.806 216 A CB -0.534 18.464 19.000 -0.003 0.000 1.353 216 A HN 2.848 nan 8.150 nan 0.000 0.496 217 G N -2.295 106.504 108.800 -0.002 0.000 2.408 217 G HA2 0.354 4.315 3.960 0.001 0.000 0.682 217 G HA3 0.354 4.315 3.960 0.001 0.000 0.682 217 G C -1.324 173.575 174.900 -0.002 0.000 1.303 217 G CA -0.232 44.866 45.100 -0.002 0.000 0.966 217 G HN 0.840 nan 8.290 nan 0.000 0.560 218 Q N -0.719 119.080 119.800 -0.002 0.000 2.309 218 Q HA 0.579 4.920 4.340 0.001 0.000 0.273 218 Q C -0.050 175.949 176.000 -0.002 0.000 1.040 218 Q CA -0.887 54.915 55.803 -0.002 0.000 0.834 218 Q CB 2.585 31.322 28.738 -0.002 0.000 1.345 218 Q HN 0.627 nan 8.270 nan 0.000 0.414 219 L N 0.390 121.612 121.223 -0.002 0.000 2.476 219 L HA 0.367 4.708 4.340 0.001 0.000 0.255 219 L C 1.328 178.197 176.870 -0.002 0.000 1.218 219 L CA 0.389 55.227 54.840 -0.002 0.000 0.819 219 L CB 0.072 42.130 42.059 -0.002 0.000 1.119 219 L HN 1.023 nan 8.230 nan 0.000 0.485 220 G N 0.841 109.640 108.800 -0.002 0.000 2.296 220 G HA2 -0.231 3.730 3.960 0.001 0.000 0.282 220 G HA3 -0.231 3.730 3.960 0.001 0.000 0.282 220 G C 0.630 175.529 174.900 -0.001 0.000 1.014 220 G CA 0.150 45.249 45.100 -0.001 0.000 0.812 220 G HN 1.100 nan 8.290 nan 0.000 0.508 221 G N -0.601 108.198 108.800 -0.001 0.000 2.368 221 G HA2 0.440 4.400 3.960 0.001 0.000 0.233 221 G HA3 0.440 4.400 3.960 0.001 0.000 0.233 221 G C 0.511 175.410 174.900 -0.001 0.000 1.267 221 G CA 0.952 46.051 45.100 -0.001 0.000 0.873 221 G HN 1.231 nan 8.290 nan 0.000 0.539 222 T N 3.112 117.665 114.554 -0.001 0.000 2.743 222 T HA 0.533 4.884 4.350 0.001 0.000 0.293 222 T C -1.369 173.330 174.700 -0.001 0.000 0.945 222 T CA -1.432 60.667 62.100 -0.001 0.000 1.030 222 T CB 0.853 69.720 68.868 -0.001 0.000 0.912 222 T HN 0.531 nan 8.240 nan 0.000 0.483 223 P HA 0.561 nan 4.420 nan 0.000 0.282 223 P C -2.887 174.412 177.300 -0.001 0.000 1.249 223 P CA -1.535 61.565 63.100 -0.001 0.000 0.806 223 P CB 0.633 32.332 31.700 -0.001 0.000 0.984 224 P HA 0.198 nan 4.420 nan 0.000 0.290 224 P C -0.731 176.568 177.300 -0.001 0.000 1.283 224 P CA -0.735 62.365 63.100 -0.001 0.000 0.869 224 P CB 1.164 32.863 31.700 -0.001 0.000 1.100 225 V N -0.251 119.663 119.914 -0.001 0.000 2.387 225 V HA 0.271 4.392 4.120 0.001 0.000 0.260 225 V C 0.650 176.743 176.094 -0.001 0.000 1.054 225 V CA -0.875 61.424 62.300 -0.001 0.000 0.967 225 V CB -1.283 30.539 31.823 -0.001 0.000 1.036 225 V HN 0.589 nan 8.190 nan 0.000 0.481 226 K N 3.078 123.478 120.400 -0.001 0.000 2.239 226 K HA -0.195 4.125 4.320 0.001 0.000 0.548 226 K C 1.064 177.664 176.600 -0.001 0.000 2.173 226 K CA 0.981 57.268 56.287 -0.001 0.000 1.637 226 K CB -0.185 32.314 32.500 -0.001 0.000 1.787 226 K HN 1.616 nan 8.250 nan 0.000 0.739 227 G N 2.403 111.203 108.800 -0.001 0.000 2.863 227 G HA2 -0.253 3.707 3.960 0.001 0.000 0.334 227 G HA3 -0.253 3.707 3.960 0.001 0.000 0.334 227 G C 0.018 174.918 174.900 -0.001 0.000 0.227 227 G CA 0.857 45.957 45.100 -0.001 0.000 1.215 227 G HN 0.492 nan 8.290 nan 0.000 0.333 228 Q N 1.135 120.935 119.800 -0.001 0.000 2.221 228 Q HA 0.340 4.681 4.340 0.001 0.000 0.242 228 Q C 1.339 177.339 176.000 -0.001 0.000 0.940 228 Q CA -0.713 55.089 55.803 -0.001 0.000 0.896 228 Q CB 0.934 29.671 28.738 -0.001 0.000 1.226 228 Q HN 0.590 nan 8.270 nan 0.000 0.463 229 Q N 0.857 120.656 119.800 -0.001 0.000 2.204 229 Q HA 0.120 4.461 4.340 0.001 0.000 0.198 229 Q C -0.046 175.953 176.000 -0.001 0.000 0.946 229 Q CA 0.285 56.087 55.803 -0.001 0.000 0.859 229 Q CB 0.439 29.176 28.738 -0.001 0.000 0.946 229 Q HN 0.532 nan 8.270 nan 0.000 0.474 230 L N 0.452 121.674 121.223 -0.001 0.000 2.332 230 L HA 0.406 4.747 4.340 0.001 0.000 0.269 230 L C -0.971 175.898 176.870 -0.002 0.000 1.016 230 L CA -0.286 54.553 54.840 -0.001 0.000 0.809 230 L CB 1.792 43.850 42.059 -0.001 0.000 1.280 230 L HN -0.004 nan 8.230 nan 0.000 0.447 231 N N 2.566 121.265 118.700 -0.002 0.000 2.578 231 N HA 0.622 5.362 4.740 0.001 0.000 0.282 231 N C -2.200 173.308 175.510 -0.002 0.000 1.119 231 N CA -0.226 52.823 53.050 -0.002 0.000 0.948 231 N CB 1.741 40.227 38.487 -0.002 0.000 1.546 231 N HN 0.867 nan 8.380 nan 0.000 0.525 232 A N 2.278 125.097 122.820 -0.002 0.000 2.455 232 A HA 0.600 4.920 4.320 0.001 0.000 0.300 232 A C -0.537 177.046 177.584 -0.002 0.000 1.040 232 A CA -0.523 51.513 52.037 -0.002 0.000 0.697 232 A CB 1.603 20.602 19.000 -0.002 0.000 1.265 232 A HN 0.486 nan 8.150 nan 0.000 0.407 233 S N 1.000 116.698 115.700 -0.003 0.000 2.562 233 S HA 0.360 4.830 4.470 0.001 0.000 0.281 233 S C 0.177 174.775 174.600 -0.003 0.000 1.333 233 S CA 0.060 58.259 58.200 -0.003 0.000 1.052 233 S CB 0.113 63.311 63.200 -0.003 0.000 0.884 233 S HN 0.484 nan 8.310 nan 0.000 0.506 234 I N 3.762 124.331 120.570 -0.003 0.000 2.365 234 I HA 0.273 4.443 4.170 0.001 0.000 0.291 234 I C -0.258 175.857 176.117 -0.003 0.000 1.004 234 I CA -0.450 60.848 61.300 -0.003 0.000 1.311 234 I CB 0.753 38.751 38.000 -0.003 0.000 1.401 234 I HN 0.364 nan 8.210 nan 0.000 0.491 235 I N 5.431 125.999 120.570 -0.003 0.000 2.359 235 I HA 0.517 4.687 4.170 0.001 0.000 0.294 235 I C 0.559 176.673 176.117 -0.004 0.000 0.987 235 I CA -0.120 61.178 61.300 -0.004 0.000 1.225 235 I CB 1.176 39.174 38.000 -0.003 0.000 1.366 235 I HN 0.625 nan 8.210 nan 0.000 0.466 236 A N 5.957 128.774 122.820 -0.005 0.000 3.791 236 A HA 0.388 4.709 4.320 0.001 0.000 0.159 236 A C 0.123 177.703 177.584 -0.008 0.000 1.359 236 A CA -0.397 51.636 52.037 -0.006 0.000 0.899 236 A CB 0.239 19.235 19.000 -0.007 0.000 1.642 236 A HN 0.716 nan 8.150 nan 0.000 0.612 237 Q N 0.253 120.047 119.800 -0.010 0.000 2.349 237 Q HA 0.283 4.624 4.340 0.001 0.000 0.287 237 Q C -0.451 175.543 176.000 -0.010 0.000 1.044 237 Q CA 1.009 56.803 55.803 -0.014 0.000 0.918 237 Q CB 0.228 28.953 28.738 -0.020 0.000 1.242 237 Q HN 0.796 nan 8.270 nan 0.000 0.405 238 T N 1.503 116.052 114.554 -0.008 0.000 2.907 238 T HA 0.500 4.850 4.350 0.001 0.000 0.292 238 T C -0.262 174.443 174.700 0.008 0.000 1.043 238 T CA -1.153 60.947 62.100 0.001 0.000 1.003 238 T CB 1.426 70.298 68.868 0.006 0.000 1.084 238 T HN 0.558 nan 8.240 nan 0.000 0.483 239 R N 1.485 122.001 120.500 0.025 0.000 2.640 239 R HA 0.213 4.554 4.340 0.001 0.000 0.270 239 R C 0.096 176.458 176.300 0.103 0.000 1.024 239 R CA -0.159 55.979 56.100 0.063 0.000 1.085 239 R CB 0.005 30.352 30.300 0.078 0.000 0.963 239 R HN 0.635 nan 8.270 nan 0.000 0.426 240 L N 1.556 122.878 121.223 0.166 0.000 2.395 240 L HA 0.176 4.516 4.340 0.001 0.000 0.269 240 L C 1.474 178.572 176.870 0.379 0.000 1.133 240 L CA -0.058 54.911 54.840 0.216 0.000 0.812 240 L CB 0.806 42.925 42.059 0.100 0.000 1.125 240 L HN 0.668 nan 8.230 nan 0.000 0.452 241 T N -2.450 112.270 114.554 0.276 0.000 2.990 241 T HA 0.106 4.456 4.350 0.001 0.000 0.250 241 T C 0.350 175.207 174.700 0.261 0.000 1.041 241 T CA 0.014 62.266 62.100 0.253 0.000 1.010 241 T CB 0.205 69.152 68.868 0.132 0.000 1.003 241 T HN 0.654 nan 8.240 nan 0.000 0.499 242 S N -0.316 115.516 115.700 0.221 0.000 2.536 242 S HA 0.430 4.901 4.470 0.001 0.000 0.271 242 S C 0.672 175.307 174.600 0.059 0.000 1.134 242 S CA -0.588 57.677 58.200 0.108 0.000 0.897 242 S CB 1.580 64.827 63.200 0.079 0.000 1.094 242 S HN -0.103 nan 8.310 nan 0.000 0.473 243 T N 1.679 116.193 114.554 -0.067 0.000 2.635 243 T HA -0.272 4.078 4.350 0.001 0.000 0.265 243 T C 1.562 176.271 174.700 0.014 0.000 1.058 243 T CA 2.419 64.465 62.100 -0.091 0.000 1.162 243 T CB -0.708 68.088 68.868 -0.119 0.000 0.859 243 T HN 0.822 nan 8.240 nan 0.000 0.449 244 E N 0.545 120.756 120.200 0.018 0.000 2.055 244 E HA -0.250 4.101 4.350 0.001 0.000 0.209 244 E C 2.165 178.791 176.600 0.042 0.000 1.036 244 E CA 1.974 58.389 56.400 0.025 0.000 0.849 244 E CB -0.153 29.559 29.700 0.022 0.000 0.767 244 E HN 0.815 nan 8.360 nan 0.000 0.461 245 E N -1.079 119.159 120.200 0.064 0.000 2.482 245 E HA -0.112 4.238 4.350 0.001 0.000 0.196 245 E C 1.815 178.418 176.600 0.006 0.000 1.047 245 E CA 0.204 56.624 56.400 0.034 0.000 0.869 245 E CB -0.258 29.457 29.700 0.026 0.000 0.836 245 E HN 0.252 nan 8.360 nan 0.000 0.520 246 F N 1.896 121.801 119.950 -0.076 0.000 2.293 246 F HA 0.155 4.683 4.527 0.001 0.000 0.297 246 F C 2.432 178.180 175.800 -0.086 0.000 1.089 246 F CA 1.427 59.365 58.000 -0.103 0.000 1.377 246 F CB -0.133 38.760 39.000 -0.178 0.000 1.051 246 F HN 0.168 nan 8.300 nan 0.000 0.511 247 G N -0.715 108.133 108.800 0.079 0.000 2.484 247 G HA2 -0.185 3.776 3.960 0.001 0.000 0.218 247 G HA3 -0.185 3.776 3.960 0.001 0.000 0.218 247 G C 1.710 176.601 174.900 -0.015 0.000 1.130 247 G CA 0.333 45.445 45.100 0.021 0.000 0.784 247 G HN 0.239 nan 8.290 nan 0.000 0.543 248 K N -0.159 120.224 120.400 -0.028 0.000 2.148 248 K HA 0.091 4.412 4.320 0.001 0.000 0.204 248 K C 0.809 177.372 176.600 -0.061 0.000 1.050 248 K CA -0.135 56.128 56.287 -0.041 0.000 0.942 248 K CB -0.133 32.343 32.500 -0.039 0.000 0.724 248 K HN 0.302 nan 8.250 nan 0.000 0.446 249 I N 2.568 123.078 120.570 -0.100 0.000 3.163 249 I HA -0.215 3.955 4.170 0.001 0.000 0.332 249 I C 0.122 176.201 176.117 -0.064 0.000 1.205 249 I CA 0.084 61.317 61.300 -0.110 0.000 1.473 249 I CB -0.114 37.795 38.000 -0.152 0.000 1.300 249 I HN 0.091 nan 8.210 nan 0.000 0.532 250 L N 7.936 129.127 121.223 -0.052 0.000 2.272 250 L HA 0.366 4.706 4.340 0.001 0.000 0.289 250 L C 0.107 176.966 176.870 -0.019 0.000 1.032 250 L CA -0.048 54.775 54.840 -0.028 0.000 0.810 250 L CB 1.020 43.066 42.059 -0.021 0.000 1.205 250 L HN 0.545 nan 8.230 nan 0.000 0.422 251 L N 3.190 124.409 121.223 -0.006 0.000 2.255 251 L HA 0.355 4.696 4.340 0.001 0.000 0.196 251 L C 1.018 177.902 176.870 0.022 0.000 1.202 251 L CA 0.236 55.080 54.840 0.007 0.000 0.819 251 L CB -0.411 41.654 42.059 0.010 0.000 1.006 251 L HN 0.534 nan 8.230 nan 0.000 0.480 252 K N -0.393 120.032 120.400 0.042 0.000 2.419 252 K HA 0.521 4.841 4.320 0.001 0.000 0.246 252 K C -1.098 175.529 176.600 0.045 0.000 1.037 252 K CA -0.519 55.800 56.287 0.052 0.000 0.982 252 K CB 1.621 34.173 32.500 0.086 0.000 1.283 252 K HN -0.108 nan 8.250 nan 0.000 0.500 253 V N 2.198 122.136 119.914 0.040 0.000 2.464 253 V HA 0.116 4.236 4.120 0.001 0.000 0.255 253 V C -0.483 175.627 176.094 0.026 0.000 0.946 253 V CA -1.065 61.254 62.300 0.031 0.000 0.988 253 V CB 0.101 31.935 31.823 0.019 0.000 1.210 253 V HN 0.786 nan 8.190 nan 0.000 0.523 254 N N 1.666 120.387 118.700 0.034 0.000 2.121 254 N HA -0.129 4.611 4.740 0.001 0.000 0.260 254 N C 1.395 176.900 175.510 -0.008 0.000 1.229 254 N CA 0.836 53.892 53.050 0.009 0.000 0.830 254 N CB 0.554 39.036 38.487 -0.008 0.000 1.073 254 N HN 0.563 nan 8.380 nan 0.000 0.465 255 Q N 0.559 120.346 119.800 -0.022 0.000 2.266 255 Q HA -0.305 4.035 4.340 0.001 0.000 0.222 255 Q C 0.011 175.999 176.000 -0.019 0.000 1.078 255 Q CA 2.610 58.399 55.803 -0.025 0.000 0.964 255 Q CB -0.425 28.288 28.738 -0.041 0.000 1.094 255 Q HN 0.855 nan 8.270 nan 0.000 0.465 256 D N -2.062 118.324 120.400 -0.023 0.000 3.179 256 D HA 0.231 4.872 4.640 0.001 0.000 0.267 256 D C 0.998 177.293 176.300 -0.008 0.000 1.348 256 D CA 0.494 54.483 54.000 -0.017 0.000 0.897 256 D CB -0.039 40.747 40.800 -0.023 0.000 1.062 256 D HN 0.438 nan 8.370 nan 0.000 0.494 257 G N 1.373 110.171 108.800 -0.003 0.000 2.562 257 G HA2 -0.405 3.555 3.960 0.001 0.000 0.241 257 G HA3 -0.405 3.555 3.960 0.001 0.000 0.241 257 G C 0.661 175.566 174.900 0.008 0.000 1.120 257 G CA 0.788 45.889 45.100 0.002 0.000 0.673 257 G HN 0.893 nan 8.290 nan 0.000 0.519 258 S N 0.681 116.386 115.700 0.009 0.000 2.569 258 S HA 0.523 4.993 4.470 0.001 0.000 0.274 258 S C 0.410 175.031 174.600 0.035 0.000 1.353 258 S CA 0.496 58.708 58.200 0.020 0.000 1.023 258 S CB 0.950 64.162 63.200 0.020 0.000 0.876 258 S HN 0.802 nan 8.310 nan 0.000 0.540 259 R N 0.345 120.871 120.500 0.044 0.000 2.540 259 R HA 0.664 5.004 4.340 0.001 0.000 0.287 259 R C -1.272 175.078 176.300 0.083 0.000 0.980 259 R CA -0.849 55.281 56.100 0.050 0.000 0.966 259 R CB 1.454 31.772 30.300 0.030 0.000 1.106 259 R HN 0.475 nan 8.270 nan 0.000 0.480 260 V N 4.580 124.548 119.914 0.089 0.000 2.305 260 V HA 0.309 4.430 4.120 0.001 0.000 0.275 260 V C -0.340 175.765 176.094 0.019 0.000 1.020 260 V CA -0.588 61.772 62.300 0.100 0.000 0.811 260 V CB 0.529 32.475 31.823 0.206 0.000 1.031 260 V HN 0.529 nan 8.190 nan 0.000 0.439 261 L N 3.265 124.481 121.223 -0.012 0.000 2.400 261 L HA 0.452 4.792 4.340 0.001 0.000 0.264 261 L C 1.340 178.176 176.870 -0.057 0.000 1.061 261 L CA -0.738 54.084 54.840 -0.029 0.000 0.799 261 L CB 0.671 42.717 42.059 -0.021 0.000 1.240 261 L HN 0.396 nan 8.230 nan 0.000 0.461 262 L N 1.075 122.270 121.223 -0.047 0.000 2.012 262 L HA -0.157 4.184 4.340 0.001 0.000 0.210 262 L C 2.628 179.469 176.870 -0.049 0.000 1.073 262 L CA 1.750 56.564 54.840 -0.044 0.000 0.748 262 L CB -0.943 41.102 42.059 -0.022 0.000 0.891 262 L HN 0.628 nan 8.230 nan 0.000 0.431 263 R N -0.286 120.192 120.500 -0.037 0.000 2.174 263 R HA -0.217 4.124 4.340 0.001 0.000 0.253 263 R C 1.479 177.741 176.300 -0.064 0.000 1.165 263 R CA 1.993 58.073 56.100 -0.034 0.000 0.984 263 R CB -0.449 29.837 30.300 -0.023 0.000 0.873 263 R HN 0.578 nan 8.270 nan 0.000 0.456 264 D N -0.700 119.636 120.400 -0.108 0.000 2.333 264 D HA -0.059 4.582 4.640 0.001 0.000 0.208 264 D C 1.596 177.717 176.300 -0.298 0.000 0.984 264 D CA 1.057 54.943 54.000 -0.190 0.000 0.873 264 D CB 0.448 41.114 40.800 -0.223 0.000 0.935 264 D HN 0.314 nan 8.370 nan 0.000 0.521 265 V N -2.827 116.948 119.914 -0.232 0.000 3.604 265 V HA 0.624 4.745 4.120 0.001 0.000 0.277 265 V C 0.502 176.530 176.094 -0.111 0.000 1.399 265 V CA -0.167 61.995 62.300 -0.229 0.000 1.034 265 V CB 0.363 32.063 31.823 -0.204 0.000 0.824 265 V HN 0.053 nan 8.190 nan 0.000 0.439 266 A N 0.461 123.247 122.820 -0.056 0.000 2.517 266 A HA 0.663 4.983 4.320 0.001 0.000 0.297 266 A C -0.756 176.848 177.584 0.034 0.000 1.050 266 A CA -0.840 51.207 52.037 0.017 0.000 0.694 266 A CB 1.239 20.266 19.000 0.046 0.000 1.277 266 A HN 0.303 nan 8.150 nan 0.000 0.400 267 K N 2.106 122.560 120.400 0.090 0.000 2.349 267 K HA 0.386 4.707 4.320 0.001 0.000 0.289 267 K C -0.847 175.786 176.600 0.055 0.000 1.064 267 K CA -0.008 56.332 56.287 0.088 0.000 0.947 267 K CB 0.561 33.146 32.500 0.143 0.000 1.007 267 K HN 0.493 nan 8.250 nan 0.000 0.478 268 I N 2.489 123.050 120.570 -0.015 0.000 2.474 268 I HA 0.078 4.248 4.170 0.001 0.000 0.287 268 I C 0.136 176.162 176.117 -0.152 0.000 1.048 268 I CA 0.328 61.568 61.300 -0.100 0.000 1.383 268 I CB 0.891 38.848 38.000 -0.071 0.000 1.412 268 I HN 0.615 nan 8.210 nan 0.000 0.531 269 E N 5.000 125.029 120.200 -0.286 0.000 2.291 269 E HA 0.323 4.674 4.350 0.001 0.000 0.276 269 E C -1.651 174.725 176.600 -0.374 0.000 0.896 269 E CA -0.896 55.334 56.400 -0.283 0.000 0.774 269 E CB 1.579 31.125 29.700 -0.256 0.000 1.227 269 E HN 0.360 nan 8.360 nan 0.000 0.413 270 L N 4.585 125.599 121.223 -0.348 0.000 2.385 270 L HA 0.522 4.862 4.340 0.001 0.000 0.285 270 L C 0.027 176.580 176.870 -0.528 0.000 1.125 270 L CA 0.717 55.288 54.840 -0.450 0.000 0.890 270 L CB 0.242 42.041 42.059 -0.432 0.000 1.251 270 L HN 0.646 nan 8.230 nan 0.000 0.445 271 G N 2.475 111.082 108.800 -0.321 0.000 3.247 271 G HA2 0.659 4.620 3.960 0.001 0.000 0.226 271 G HA3 0.659 4.620 3.960 0.001 0.000 0.226 271 G C -0.433 174.636 174.900 0.281 0.000 1.220 271 G CA -0.258 44.841 45.100 -0.002 0.000 0.875 271 G HN 0.721 nan 8.290 nan 0.000 0.606 272 G N -1.241 107.678 108.800 0.198 0.000 2.477 272 G HA2 0.474 4.435 3.960 0.001 0.000 0.304 272 G HA3 0.474 4.435 3.960 0.001 0.000 0.304 272 G C 0.234 175.162 174.900 0.046 0.000 1.175 272 G CA -0.218 44.873 45.100 -0.015 0.000 0.907 272 G HN 0.489 nan 8.290 nan 0.000 0.509 273 E N -0.044 120.214 120.200 0.095 0.000 2.427 273 E HA -0.004 4.347 4.350 0.001 0.000 0.196 273 E C 0.284 176.939 176.600 0.092 0.000 1.028 273 E CA 0.440 57.001 56.400 0.267 0.000 0.864 273 E CB 0.062 29.954 29.700 0.319 0.000 0.813 273 E HN 0.599 nan 8.360 nan 0.000 0.514 274 N N -1.187 117.475 118.700 -0.064 0.000 3.521 274 N HA -0.025 4.716 4.740 0.001 0.000 0.228 274 N C -1.522 173.887 175.510 -0.168 0.000 1.328 274 N CA -0.602 52.453 53.050 0.008 0.000 0.907 274 N CB 0.037 38.547 38.487 0.038 0.000 1.487 274 N HN -0.149 nan 8.380 nan 0.000 0.503 275 Y N -0.290 120.062 120.300 0.087 0.000 2.578 275 Y HA 0.356 4.906 4.550 0.001 0.000 0.317 275 Y C -0.266 175.672 175.900 0.063 0.000 0.940 275 Y CA -0.519 57.633 58.100 0.086 0.000 1.174 275 Y CB 0.429 38.953 38.460 0.107 0.000 1.198 275 Y HN 0.522 nan 8.280 nan 0.000 0.597 276 D N -0.257 120.231 120.400 0.145 0.000 2.470 276 D HA 0.198 4.839 4.640 0.001 0.000 0.238 276 D C 0.016 176.374 176.300 0.098 0.000 1.054 276 D CA 0.503 54.574 54.000 0.118 0.000 0.896 276 D CB 0.872 41.740 40.800 0.113 0.000 1.118 276 D HN 0.165 nan 8.370 nan 0.000 0.497 277 I N 2.450 123.068 120.570 0.080 0.000 2.312 277 I HA 0.333 4.504 4.170 0.001 0.000 0.290 277 I C -0.620 175.516 176.117 0.032 0.000 1.008 277 I CA -0.600 60.743 61.300 0.071 0.000 1.226 277 I CB 0.910 38.952 38.000 0.070 0.000 1.371 277 I HN -0.060 nan 8.210 nan 0.000 0.468 278 I N 3.694 124.267 120.570 0.006 0.000 2.548 278 I HA 0.859 5.029 4.170 0.001 0.000 0.287 278 I C -0.610 175.439 176.117 -0.114 0.000 1.103 278 I CA -0.773 60.510 61.300 -0.028 0.000 1.049 278 I CB 1.919 39.919 38.000 -0.000 0.000 1.232 278 I HN 0.478 nan 8.210 nan 0.000 0.429 279 A N 4.910 127.634 122.820 -0.161 0.000 2.324 279 A HA 0.785 5.106 4.320 0.001 0.000 0.330 279 A C -0.410 176.997 177.584 -0.294 0.000 1.165 279 A CA -0.529 51.278 52.037 -0.384 0.000 0.813 279 A CB 1.060 19.716 19.000 -0.573 0.000 1.197 279 A HN 0.798 nan 8.150 nan 0.000 0.484 280 E N 1.806 121.782 120.200 -0.373 0.000 2.402 280 E HA 0.178 4.529 4.350 0.001 0.000 0.244 280 E C -1.663 174.869 176.600 -0.113 0.000 0.945 280 E CA -0.256 56.041 56.400 -0.171 0.000 0.774 280 E CB 1.534 31.156 29.700 -0.129 0.000 1.296 280 E HN 0.559 nan 8.360 nan 0.000 0.414 281 F N 4.107 124.024 119.950 -0.056 0.000 2.502 281 F HA 0.093 4.620 4.527 0.001 0.000 0.371 281 F C 0.674 176.497 175.800 0.037 0.000 1.083 281 F CA -0.344 57.724 58.000 0.112 0.000 1.174 281 F CB 0.133 39.273 39.000 0.233 0.000 1.096 281 F HN 0.368 nan 8.300 nan 0.000 0.545 282 N N 4.743 123.093 118.700 -0.583 0.000 2.708 282 N HA -0.234 4.506 4.740 0.001 0.000 0.251 282 N C 1.185 176.587 175.510 -0.180 0.000 1.017 282 N CA 1.298 54.086 53.050 -0.436 0.000 0.742 282 N CB -1.276 36.842 38.487 -0.615 0.000 0.943 282 N HN 1.219 nan 8.380 nan 0.000 0.539 283 G N -0.937 107.797 108.800 -0.110 0.000 2.328 283 G HA2 -0.418 3.542 3.960 0.001 0.000 0.256 283 G HA3 -0.418 3.542 3.960 0.001 0.000 0.256 283 G C 0.048 174.940 174.900 -0.013 0.000 1.014 283 G CA 0.858 45.928 45.100 -0.052 0.000 0.620 283 G HN 0.678 nan 8.290 nan 0.000 0.530 284 Q N 1.795 121.606 119.800 0.018 0.000 2.332 284 Q HA 0.433 4.773 4.340 0.001 0.000 0.263 284 Q C -2.207 173.835 176.000 0.070 0.000 0.979 284 Q CA -1.668 54.169 55.803 0.056 0.000 0.885 284 Q CB 0.770 29.564 28.738 0.095 0.000 1.218 284 Q HN 0.212 nan 8.270 nan 0.000 0.405 285 P HA -0.025 nan 4.420 nan 0.000 0.260 285 P C -1.636 175.697 177.300 0.054 0.000 1.172 285 P CA 0.565 63.685 63.100 0.033 0.000 0.760 285 P CB 0.586 32.302 31.700 0.026 0.000 0.773 286 A N 2.245 125.097 122.820 0.054 0.000 2.566 286 A HA 0.619 4.939 4.320 0.001 0.000 0.297 286 A C -0.683 176.967 177.584 0.110 0.000 1.059 286 A CA -0.432 51.666 52.037 0.101 0.000 0.691 286 A CB 1.473 20.611 19.000 0.231 0.000 1.282 286 A HN 0.362 nan 8.150 nan 0.000 0.401 287 S N -0.026 115.749 115.700 0.124 0.000 2.664 287 S HA 0.898 5.369 4.470 0.001 0.000 0.304 287 S C 0.140 174.898 174.600 0.263 0.000 1.099 287 S CA 0.210 58.512 58.200 0.171 0.000 1.003 287 S CB 1.606 64.860 63.200 0.090 0.000 1.092 287 S HN 2.013 nan 8.310 nan 0.000 0.525 288 G N 1.010 110.041 108.800 0.385 0.000 2.694 288 G HA2 0.644 4.604 3.960 0.001 0.000 0.290 288 G HA3 0.644 4.604 3.960 0.001 0.000 0.290 288 G C -2.010 173.091 174.900 0.336 0.000 1.386 288 G CA -0.732 44.594 45.100 0.378 0.000 0.872 288 G HN 0.709 nan 8.290 nan 0.000 0.475 289 L N 1.103 122.454 121.223 0.214 0.000 2.316 289 L HA 0.530 4.870 4.340 0.001 0.000 0.280 289 L C 0.720 177.691 176.870 0.168 0.000 1.006 289 L CA -0.825 54.091 54.840 0.128 0.000 0.836 289 L CB 2.111 44.217 42.059 0.079 0.000 1.221 289 L HN 0.661 nan 8.230 nan 0.000 0.418 290 G N 5.297 114.151 108.800 0.090 0.000 2.977 290 G HA2 0.427 4.388 3.960 0.001 0.000 0.306 290 G HA3 0.427 4.388 3.960 0.001 0.000 0.306 290 G C 0.251 175.275 174.900 0.207 0.000 0.885 290 G CA -0.422 44.809 45.100 0.219 0.000 1.649 290 G HN 0.512 nan 8.290 nan 0.000 0.514 291 I N 0.593 121.261 120.570 0.163 0.000 2.752 291 I HA 0.172 4.343 4.170 0.001 0.000 0.287 291 I C 0.489 176.693 176.117 0.144 0.000 1.188 291 I CA 0.420 61.794 61.300 0.123 0.000 1.427 291 I CB 0.577 38.637 38.000 0.099 0.000 1.365 291 I HN 0.156 nan 8.210 nan 0.000 0.585 292 K N 5.480 125.931 120.400 0.084 0.000 2.435 292 K HA 0.622 4.943 4.320 0.001 0.000 0.251 292 K C -0.957 175.672 176.600 0.047 0.000 0.954 292 K CA -0.907 55.412 56.287 0.054 0.000 0.820 292 K CB 2.582 35.078 32.500 -0.007 0.000 1.292 292 K HN 0.430 nan 8.250 nan 0.000 0.436 293 L N 1.071 122.325 121.223 0.051 0.000 2.456 293 L HA 0.452 4.793 4.340 0.001 0.000 0.257 293 L C -0.017 176.873 176.870 0.032 0.000 1.162 293 L CA -0.524 54.346 54.840 0.050 0.000 0.808 293 L CB 1.164 43.264 42.059 0.067 0.000 1.136 293 L HN 0.707 nan 8.230 nan 0.000 0.466 294 A N 0.683 123.520 122.820 0.028 0.000 2.431 294 A HA 0.436 4.757 4.320 0.001 0.000 0.318 294 A C -0.056 177.537 177.584 0.015 0.000 1.330 294 A CA -0.520 51.526 52.037 0.014 0.000 0.804 294 A CB 0.222 19.225 19.000 0.005 0.000 1.135 294 A HN 0.685 nan 8.150 nan 0.000 0.483 295 T N 1.473 116.038 114.554 0.017 0.000 2.657 295 T HA 0.260 4.610 4.350 0.001 0.000 0.245 295 T C 1.343 176.052 174.700 0.015 0.000 1.021 295 T CA 2.158 64.272 62.100 0.024 0.000 1.155 295 T CB -0.028 68.852 68.868 0.020 0.000 1.022 295 T HN 2.165 nan 8.240 nan 0.000 0.477 296 G N 1.303 110.120 108.800 0.028 0.000 2.255 296 G HA2 0.172 4.133 3.960 0.001 0.000 0.239 296 G HA3 0.172 4.133 3.960 0.001 0.000 0.239 296 G C -0.078 174.836 174.900 0.023 0.000 1.083 296 G CA -0.264 44.849 45.100 0.021 0.000 0.826 296 G HN 1.319 nan 8.290 nan 0.000 0.493 297 A N 0.106 122.948 122.820 0.037 0.000 2.335 297 A HA 0.725 5.045 4.320 0.001 0.000 0.304 297 A C 0.055 177.667 177.584 0.048 0.000 1.118 297 A CA -0.203 51.856 52.037 0.037 0.000 0.757 297 A CB 0.741 19.764 19.000 0.038 0.000 1.188 297 A HN 0.622 nan 8.150 nan 0.000 0.460 298 N N 2.529 121.253 118.700 0.039 0.000 2.438 298 N HA 0.254 4.995 4.740 0.001 0.000 0.267 298 N C 1.040 176.576 175.510 0.043 0.000 1.222 298 N CA 0.363 53.438 53.050 0.041 0.000 0.930 298 N CB 0.904 39.408 38.487 0.029 0.000 1.083 298 N HN 0.646 nan 8.380 nan 0.000 0.476 299 A N 4.038 126.891 122.820 0.054 0.000 2.030 299 A HA 0.028 4.348 4.320 0.001 0.000 0.215 299 A C 1.684 179.297 177.584 0.048 0.000 1.164 299 A CA 0.410 52.484 52.037 0.061 0.000 0.697 299 A CB 0.011 19.063 19.000 0.088 0.000 0.827 299 A HN 0.670 nan 8.150 nan 0.000 0.457 300 L N 0.005 121.248 121.223 0.034 0.000 2.551 300 L HA -0.009 4.332 4.340 0.001 0.000 0.228 300 L C 1.375 178.253 176.870 0.014 0.000 1.153 300 L CA 1.201 56.051 54.840 0.017 0.000 0.851 300 L CB -0.434 41.622 42.059 -0.004 0.000 0.959 300 L HN 0.222 nan 8.230 nan 0.000 0.451 301 D N -1.185 119.227 120.400 0.020 0.000 2.355 301 D HA -0.057 4.584 4.640 0.001 0.000 0.233 301 D C 2.153 178.466 176.300 0.022 0.000 0.997 301 D CA 1.441 55.451 54.000 0.018 0.000 0.920 301 D CB -0.015 40.796 40.800 0.018 0.000 1.063 301 D HN 0.132 nan 8.370 nan 0.000 0.465 302 T N 0.067 114.638 114.554 0.029 0.000 2.746 302 T HA -0.107 4.243 4.350 0.001 0.000 0.267 302 T C 1.872 176.593 174.700 0.034 0.000 1.039 302 T CA 1.446 63.565 62.100 0.032 0.000 1.142 302 T CB -0.316 68.575 68.868 0.038 0.000 0.866 302 T HN 0.144 nan 8.240 nan 0.000 0.444 303 A N 0.821 123.664 122.820 0.039 0.000 2.169 303 A HA 0.607 4.927 4.320 0.001 0.000 0.212 303 A C 2.411 180.007 177.584 0.020 0.000 1.153 303 A CA 0.871 52.930 52.037 0.038 0.000 0.756 303 A CB -0.563 18.468 19.000 0.052 0.000 0.813 303 A HN 0.496 nan 8.150 nan 0.000 0.471 304 A N -0.694 122.134 122.820 0.014 0.000 2.123 304 A HA 0.487 4.808 4.320 0.001 0.000 0.214 304 A C 1.623 179.211 177.584 0.005 0.000 1.152 304 A CA 1.008 53.047 52.037 0.003 0.000 0.728 304 A CB -0.296 18.704 19.000 0.001 0.000 0.814 304 A HN 0.945 nan 8.150 nan 0.000 0.464 305 A N -0.283 122.544 122.820 0.013 0.000 2.842 305 A HA 0.644 4.964 4.320 0.001 0.000 0.298 305 A C 0.242 177.838 177.584 0.020 0.000 1.293 305 A CA -0.112 51.933 52.037 0.014 0.000 0.959 305 A CB -0.470 18.538 19.000 0.013 0.000 1.119 305 A HN 0.330 nan 8.150 nan 0.000 0.564 306 I N -1.127 119.457 120.570 0.022 0.000 2.772 306 I HA 0.158 4.328 4.170 0.001 0.000 0.326 306 I C 0.792 176.932 176.117 0.039 0.000 1.461 306 I CA -0.443 60.878 61.300 0.034 0.000 0.815 306 I CB 0.047 38.072 38.000 0.043 0.000 1.942 306 I HN 0.512 nan 8.210 nan 0.000 0.579 307 R N 1.884 122.403 120.500 0.030 0.000 3.844 307 R HA -0.324 4.017 4.340 0.001 0.000 0.414 307 R C 1.328 177.642 176.300 0.023 0.000 0.248 307 R CA 2.213 58.325 56.100 0.021 0.000 1.320 307 R CB -1.051 29.252 30.300 0.005 0.000 0.937 307 R HN 0.496 nan 8.270 nan 0.000 0.585 308 A N 0.633 123.464 122.820 0.017 0.000 2.253 308 A HA 0.037 4.357 4.320 0.001 0.000 0.225 308 A C 0.840 178.435 177.584 0.018 0.000 1.521 308 A CA 1.583 53.629 52.037 0.015 0.000 1.494 308 A CB -0.366 18.641 19.000 0.011 0.000 0.804 308 A HN 0.506 nan 8.150 nan 0.000 0.614 309 E N -2.180 118.034 120.200 0.023 0.000 2.537 309 E HA 0.168 4.518 4.350 0.001 0.000 0.191 309 E C 0.812 177.429 176.600 0.028 0.000 0.987 309 E CA 0.159 56.574 56.400 0.024 0.000 1.607 309 E CB -0.013 29.703 29.700 0.027 0.000 2.499 309 E HN 0.353 nan 8.360 nan 0.000 1.073 310 L N 0.330 121.579 121.223 0.043 0.000 2.616 310 L HA 0.435 4.775 4.340 0.001 0.000 0.229 310 L C 1.466 178.356 176.870 0.033 0.000 1.110 310 L CA 0.865 55.739 54.840 0.057 0.000 0.884 310 L CB 0.406 42.532 42.059 0.112 0.000 1.115 310 L HN 0.138 nan 8.230 nan 0.000 0.481 311 A N -0.702 122.131 122.820 0.022 0.000 2.346 311 A HA 0.120 4.440 4.320 0.001 0.000 0.242 311 A C 1.624 179.197 177.584 -0.018 0.000 1.323 311 A CA 0.585 52.625 52.037 0.004 0.000 0.940 311 A CB -0.369 18.636 19.000 0.009 0.000 0.943 311 A HN 0.314 nan 8.150 nan 0.000 0.501 312 K N -1.788 118.595 120.400 -0.030 0.000 2.590 312 K HA 0.274 4.594 4.320 0.001 0.000 0.218 312 K C 0.819 177.383 176.600 -0.060 0.000 1.536 312 K CA 0.104 56.375 56.287 -0.027 0.000 1.013 312 K CB 0.313 32.820 32.500 0.012 0.000 1.265 312 K HN 0.478 nan 8.250 nan 0.000 0.603 313 M N 0.746 120.273 119.600 -0.122 0.000 2.428 313 M HA 0.108 4.588 4.480 0.001 0.000 0.239 313 M C 1.022 176.859 176.300 -0.773 0.000 1.121 313 M CA 0.609 55.748 55.300 -0.268 0.000 1.019 313 M CB 0.354 32.868 32.600 -0.143 0.000 1.485 313 M HN 0.079 nan 8.290 nan 0.000 0.484 314 E N 1.104 120.986 120.200 -0.530 0.000 2.158 314 E HA -0.102 4.249 4.350 0.001 0.000 0.191 314 E C -0.725 175.595 176.600 -0.466 0.000 0.982 314 E CA 0.916 57.029 56.400 -0.479 0.000 0.823 314 E CB -0.512 29.141 29.700 -0.079 0.000 0.766 314 E HN 0.448 nan 8.360 nan 0.000 0.468 315 P HA -0.056 nan 4.420 nan 0.000 0.228 315 P C 0.186 177.118 177.300 -0.614 0.000 1.166 315 P CA 0.767 63.479 63.100 -0.647 0.000 0.812 315 P CB 0.076 31.176 31.700 -1.001 0.000 0.857 316 F N -0.383 119.462 119.950 -0.175 0.000 2.611 316 F HA 0.333 4.861 4.527 0.001 0.000 0.321 316 F C 0.591 176.381 175.800 -0.015 0.000 1.208 316 F CA -0.986 56.971 58.000 -0.071 0.000 1.249 316 F CB -0.349 38.619 39.000 -0.053 0.000 1.514 316 F HN -0.256 nan 8.300 nan 0.000 0.561 317 F N 1.569 121.601 119.950 0.137 0.000 2.452 317 F HA 0.629 5.157 4.527 0.001 0.000 0.353 317 F C -1.690 174.075 175.800 -0.059 0.000 1.089 317 F CA -2.526 55.480 58.000 0.010 0.000 1.080 317 F CB 0.146 39.085 39.000 -0.102 0.000 1.399 317 F HN -0.043 nan 8.300 nan 0.000 0.492 318 P HA 0.334 nan 4.420 nan 0.000 0.286 318 P C -1.425 175.834 177.300 -0.068 0.000 1.292 318 P CA -0.696 62.372 63.100 -0.052 0.000 0.842 318 P CB 0.825 32.425 31.700 -0.167 0.000 1.207 319 S N -0.087 115.590 115.700 -0.039 0.000 2.571 319 S HA 0.371 4.841 4.470 0.001 0.000 0.297 319 S C 0.825 175.372 174.600 -0.088 0.000 1.234 319 S CA 0.895 59.071 58.200 -0.041 0.000 1.120 319 S CB -1.534 61.655 63.200 -0.017 0.000 0.923 319 S HN 0.986 nan 8.310 nan 0.000 0.504 320 G N 3.256 111.994 108.800 -0.102 0.000 2.684 320 G HA2 -0.128 3.832 3.960 0.001 0.000 0.229 320 G HA3 -0.128 3.832 3.960 0.001 0.000 0.229 320 G C -0.651 174.123 174.900 -0.209 0.000 0.927 320 G CA -0.652 44.371 45.100 -0.128 0.000 1.147 320 G HN 0.725 nan 8.290 nan 0.000 0.402 321 L N 2.399 123.436 121.223 -0.310 0.000 2.409 321 L HA 0.364 4.704 4.340 0.001 0.000 0.262 321 L C 0.255 176.811 176.870 -0.524 0.000 1.346 321 L CA -0.503 54.061 54.840 -0.459 0.000 0.848 321 L CB 0.742 42.382 42.059 -0.697 0.000 1.006 321 L HN 0.604 nan 8.230 nan 0.000 0.505 322 K N 1.858 122.059 120.400 -0.333 0.000 2.126 322 K HA 0.593 4.913 4.320 0.001 0.000 0.257 322 K C -0.284 176.126 176.600 -0.315 0.000 1.007 322 K CA -0.530 55.587 56.287 -0.283 0.000 0.928 322 K CB 1.401 33.785 32.500 -0.195 0.000 1.013 322 K HN 0.449 nan 8.250 nan 0.000 0.473 323 I N 1.634 122.030 120.570 -0.290 0.000 2.428 323 I HA 0.354 4.525 4.170 0.001 0.000 0.296 323 I C -0.289 175.456 176.117 -0.621 0.000 0.985 323 I CA -0.933 60.149 61.300 -0.363 0.000 1.260 323 I CB 1.642 39.515 38.000 -0.213 0.000 1.389 323 I HN 0.156 nan 8.210 nan 0.000 0.484 324 V N 6.169 125.622 119.914 -0.769 0.000 2.925 324 V HA 0.475 4.596 4.120 0.001 0.000 0.311 324 V C -1.564 174.025 176.094 -0.842 0.000 1.104 324 V CA -0.519 61.227 62.300 -0.925 0.000 0.954 324 V CB 2.282 33.558 31.823 -0.912 0.000 1.022 324 V HN 0.552 nan 8.190 nan 0.000 0.427 325 Y N 6.479 126.696 120.300 -0.139 0.000 2.478 325 Y HA 0.523 5.074 4.550 0.001 0.000 0.329 325 Y C -1.678 174.224 175.900 0.003 0.000 0.967 325 Y CA -1.806 56.254 58.100 -0.068 0.000 1.255 325 Y CB 1.251 39.704 38.460 -0.012 0.000 1.103 325 Y HN 0.559 nan 8.280 nan 0.000 0.497 326 P HA 0.020 nan 4.420 nan 0.000 0.244 326 P C -0.712 176.678 177.300 0.150 0.000 1.191 326 P CA 0.516 63.705 63.100 0.148 0.000 0.829 326 P CB 1.014 32.756 31.700 0.069 0.000 1.008 327 Y N 0.348 120.626 120.300 -0.036 0.000 2.317 327 Y HA 0.513 5.064 4.550 0.001 0.000 0.329 327 Y C -1.877 174.009 175.900 -0.024 0.000 1.101 327 Y CA -0.948 57.103 58.100 -0.081 0.000 1.228 327 Y CB 0.977 39.288 38.460 -0.248 0.000 1.123 327 Y HN -0.291 nan 8.280 nan 0.000 0.457 328 D N 2.969 123.428 120.400 0.100 0.000 2.788 328 D HA 0.237 4.878 4.640 0.001 0.000 0.247 328 D C 0.167 176.526 176.300 0.099 0.000 1.236 328 D CA -0.292 53.785 54.000 0.128 0.000 0.898 328 D CB 1.876 42.733 40.800 0.095 0.000 1.401 328 D HN 0.510 nan 8.370 nan 0.000 0.549 329 T N -0.579 114.066 114.554 0.151 0.000 3.244 329 T HA 0.153 4.504 4.350 0.001 0.000 0.254 329 T C 1.022 175.844 174.700 0.202 0.000 1.024 329 T CA -0.073 62.137 62.100 0.183 0.000 0.920 329 T CB 0.250 69.242 68.868 0.207 0.000 1.042 329 T HN 0.209 nan 8.240 nan 0.000 0.572 330 T N 2.216 116.860 114.554 0.152 0.000 3.056 330 T HA 0.183 4.533 4.350 0.001 0.000 0.241 330 T C -0.775 173.980 174.700 0.091 0.000 1.006 330 T CA 0.188 62.346 62.100 0.097 0.000 1.115 330 T CB -0.320 68.575 68.868 0.045 0.000 0.939 330 T HN 0.293 nan 8.240 nan 0.000 0.462 331 P HA -0.071 nan 4.420 nan 0.000 0.220 331 P C 1.245 178.645 177.300 0.166 0.000 1.148 331 P CA 0.891 64.067 63.100 0.127 0.000 0.803 331 P CB -0.083 31.724 31.700 0.177 0.000 0.782 332 F N 1.771 121.763 119.950 0.071 0.000 2.022 332 F HA -0.140 4.387 4.527 0.001 0.000 0.293 332 F C 2.086 177.860 175.800 -0.044 0.000 1.142 332 F CA 1.419 59.443 58.000 0.041 0.000 1.177 332 F CB -1.060 38.015 39.000 0.124 0.000 0.982 332 F HN -0.348 nan 8.300 nan 0.000 0.473 333 V N 0.493 120.297 119.914 -0.182 0.000 2.913 333 V HA -0.216 3.904 4.120 0.001 0.000 0.260 333 V C 1.834 177.770 176.094 -0.264 0.000 1.098 333 V CA 1.778 63.859 62.300 -0.365 0.000 1.121 333 V CB -1.023 30.705 31.823 -0.159 0.000 0.714 333 V HN 0.314 nan 8.190 nan 0.000 0.487 334 K N -0.577 119.732 120.400 -0.152 0.000 2.404 334 K HA 0.320 4.641 4.320 0.001 0.000 0.194 334 K C 1.497 178.032 176.600 -0.108 0.000 1.023 334 K CA 0.327 56.548 56.287 -0.110 0.000 1.094 334 K CB 0.325 32.788 32.500 -0.061 0.000 0.841 334 K HN 0.432 nan 8.250 nan 0.000 0.523 335 I N -0.555 119.914 120.570 -0.169 0.000 3.300 335 I HA -0.143 4.028 4.170 0.001 0.000 0.279 335 I C 2.307 178.277 176.117 -0.246 0.000 1.172 335 I CA 0.322 61.537 61.300 -0.142 0.000 1.431 335 I CB 0.095 37.985 38.000 -0.183 0.000 1.240 335 I HN 0.056 nan 8.210 nan 0.000 0.453 336 S N 1.403 116.814 115.700 -0.481 0.000 2.407 336 S HA -0.230 4.240 4.470 0.001 0.000 0.235 336 S C 1.929 176.306 174.600 -0.373 0.000 1.036 336 S CA 1.565 59.444 58.200 -0.535 0.000 1.013 336 S CB -0.213 62.487 63.200 -0.833 0.000 0.820 336 S HN 0.248 nan 8.310 nan 0.000 0.476 337 I N 1.562 121.957 120.570 -0.292 0.000 2.130 337 I HA -0.021 4.150 4.170 0.001 0.000 0.232 337 I C 2.265 178.304 176.117 -0.131 0.000 1.064 337 I CA 2.044 63.220 61.300 -0.206 0.000 1.338 337 I CB -1.131 36.776 38.000 -0.155 0.000 1.084 337 I HN 0.628 nan 8.210 nan 0.000 0.404 338 H N 0.713 119.698 119.070 -0.142 0.000 2.368 338 H HA -0.231 4.326 4.556 0.001 0.000 0.292 338 H C 1.572 176.841 175.328 -0.099 0.000 1.117 338 H CA 2.275 58.262 56.048 -0.102 0.000 1.231 338 H CB -0.268 29.437 29.762 -0.096 0.000 1.359 338 H HN 0.381 nan 8.280 nan 0.000 0.490 339 E N -0.028 119.865 120.200 -0.512 0.000 2.511 339 E HA 0.007 4.357 4.350 0.001 0.000 0.196 339 E C 1.639 178.079 176.600 -0.266 0.000 1.066 339 E CA 0.586 56.684 56.400 -0.504 0.000 0.871 339 E CB 0.510 30.004 29.700 -0.344 0.000 0.863 339 E HN 0.528 nan 8.360 nan 0.000 0.520 340 V N -0.761 119.029 119.914 -0.207 0.000 3.013 340 V HA -0.060 4.061 4.120 0.001 0.000 0.238 340 V C 2.236 178.285 176.094 -0.075 0.000 1.161 340 V CA 0.297 62.537 62.300 -0.100 0.000 1.170 340 V CB 0.130 31.879 31.823 -0.125 0.000 0.917 340 V HN -0.000 nan 8.190 nan 0.000 0.478 341 V N 1.128 120.991 119.914 -0.084 0.000 2.380 341 V HA -0.349 3.772 4.120 0.001 0.000 0.251 341 V C 2.489 178.547 176.094 -0.061 0.000 1.063 341 V CA 2.703 64.982 62.300 -0.036 0.000 1.055 341 V CB -0.638 31.183 31.823 -0.003 0.000 0.657 341 V HN 0.601 nan 8.190 nan 0.000 0.455 342 K N -0.491 119.818 120.400 -0.152 0.000 2.026 342 K HA -0.215 4.105 4.320 0.001 0.000 0.208 342 K C 2.229 178.779 176.600 -0.084 0.000 1.048 342 K CA 2.092 58.291 56.287 -0.146 0.000 0.929 342 K CB -0.418 31.907 32.500 -0.291 0.000 0.713 342 K HN 0.425 nan 8.250 nan 0.000 0.439 343 T N 1.462 115.966 114.554 -0.083 0.000 2.759 343 T HA -0.070 4.281 4.350 0.001 0.000 0.269 343 T C 1.284 175.972 174.700 -0.020 0.000 1.042 343 T CA 0.920 62.993 62.100 -0.044 0.000 1.140 343 T CB -0.001 68.852 68.868 -0.026 0.000 0.864 343 T HN 0.197 nan 8.240 nan 0.000 0.455 344 L N 1.359 122.578 121.223 -0.007 0.000 2.682 344 L HA 0.130 4.470 4.340 0.001 0.000 0.240 344 L C 0.952 177.831 176.870 0.015 0.000 1.178 344 L CA 0.251 55.100 54.840 0.015 0.000 0.970 344 L CB 0.058 42.141 42.059 0.039 0.000 1.179 344 L HN 0.211 nan 8.230 nan 0.000 0.435 345 V N -2.349 117.567 119.914 0.005 0.000 3.408 345 V HA 0.002 4.122 4.120 0.001 0.000 0.263 345 V C 1.827 177.930 176.094 0.014 0.000 1.503 345 V CA 0.071 62.380 62.300 0.014 0.000 1.046 345 V CB 0.690 32.520 31.823 0.011 0.000 0.851 345 V HN 0.301 nan 8.190 nan 0.000 0.435 346 E N 1.871 122.070 120.200 -0.001 0.000 2.106 346 E HA -0.086 4.264 4.350 0.001 0.000 0.192 346 E C 2.261 178.864 176.600 0.005 0.000 0.984 346 E CA 1.348 57.746 56.400 -0.003 0.000 0.806 346 E CB -0.220 29.469 29.700 -0.017 0.000 0.750 346 E HN 0.557 nan 8.360 nan 0.000 0.458 347 A N 0.963 123.783 122.820 -0.000 0.000 2.019 347 A HA -0.137 4.184 4.320 0.001 0.000 0.219 347 A C 2.102 179.703 177.584 0.028 0.000 1.164 347 A CA 0.962 52.999 52.037 0.001 0.000 0.644 347 A CB -0.431 18.563 19.000 -0.009 0.000 0.805 347 A HN 0.132 nan 8.150 nan 0.000 0.449 348 I N -1.289 119.306 120.570 0.042 0.000 2.296 348 I HA -0.128 4.043 4.170 0.001 0.000 0.242 348 I C 2.096 178.285 176.117 0.120 0.000 1.087 348 I CA 0.743 62.085 61.300 0.070 0.000 1.393 348 I CB -0.241 37.800 38.000 0.069 0.000 1.093 348 I HN 0.173 nan 8.210 nan 0.000 0.421 349 I N 0.713 121.344 120.570 0.102 0.000 2.335 349 I HA -0.280 3.891 4.170 0.001 0.000 0.251 349 I C 2.267 178.431 176.117 0.079 0.000 1.129 349 I CA 1.677 63.029 61.300 0.086 0.000 1.402 349 I CB -0.395 37.608 38.000 0.004 0.000 1.069 349 I HN 0.144 nan 8.210 nan 0.000 0.424 350 L N -1.361 119.900 121.223 0.062 0.000 2.217 350 L HA -0.133 4.207 4.340 0.001 0.000 0.211 350 L C 2.281 179.206 176.870 0.092 0.000 1.107 350 L CA 0.476 55.353 54.840 0.061 0.000 0.783 350 L CB -0.300 41.779 42.059 0.034 0.000 0.919 350 L HN 0.047 nan 8.230 nan 0.000 0.442 351 V N -1.184 118.791 119.914 0.101 0.000 2.379 351 V HA -0.221 3.900 4.120 0.001 0.000 0.243 351 V C 2.054 178.235 176.094 0.145 0.000 1.035 351 V CA 1.177 63.535 62.300 0.096 0.000 1.035 351 V CB -0.477 31.380 31.823 0.057 0.000 0.673 351 V HN 0.332 nan 8.190 nan 0.000 0.457 352 F N -0.036 119.902 119.950 -0.020 0.000 2.269 352 F HA -0.311 4.217 4.527 0.001 0.000 0.300 352 F C 1.726 177.509 175.800 -0.028 0.000 1.035 352 F CA 1.282 59.251 58.000 -0.051 0.000 1.373 352 F CB 0.184 39.137 39.000 -0.078 0.000 1.094 352 F HN 0.132 nan 8.300 nan 0.000 0.535 353 L N -2.176 119.210 121.223 0.272 0.000 2.379 353 L HA -0.033 4.307 4.340 0.001 0.000 0.190 353 L C 2.175 179.203 176.870 0.264 0.000 1.111 353 L CA 0.198 55.169 54.840 0.219 0.000 0.820 353 L CB -1.027 41.108 42.059 0.126 0.000 1.046 353 L HN -0.286 nan 8.230 nan 0.000 0.485 354 V N 0.335 120.381 119.914 0.220 0.000 2.720 354 V HA -0.268 3.852 4.120 0.001 0.000 0.256 354 V C 2.462 178.680 176.094 0.207 0.000 1.082 354 V CA 1.488 63.944 62.300 0.260 0.000 1.101 354 V CB -0.388 31.545 31.823 0.183 0.000 0.693 354 V HN 0.345 nan 8.190 nan 0.000 0.479 355 M N -1.082 118.597 119.600 0.133 0.000 2.132 355 M HA -0.090 4.391 4.480 0.001 0.000 0.263 355 M C 1.910 178.275 176.300 0.108 0.000 1.065 355 M CA 1.728 57.059 55.300 0.052 0.000 1.122 355 M CB -0.758 31.837 32.600 -0.009 0.000 1.365 355 M HN 0.455 nan 8.290 nan 0.000 0.411 356 Y N -0.256 120.070 120.300 0.043 0.000 2.084 356 Y HA -0.212 4.338 4.550 0.001 0.000 0.279 356 Y C 2.222 178.123 175.900 0.001 0.000 1.119 356 Y CA 2.117 60.213 58.100 -0.006 0.000 1.101 356 Y CB -0.651 37.815 38.460 0.011 0.000 0.989 356 Y HN 0.176 nan 8.280 nan 0.000 0.484 357 L N -0.632 120.802 121.223 0.353 0.000 2.064 357 L HA -0.413 3.928 4.340 0.001 0.000 0.234 357 L C 2.270 179.134 176.870 -0.011 0.000 1.103 357 L CA 2.457 57.425 54.840 0.215 0.000 0.824 357 L CB -0.727 41.507 42.059 0.293 0.000 0.919 357 L HN 0.326 nan 8.230 nan 0.000 0.447 358 F N -0.630 119.271 119.950 -0.083 0.000 2.102 358 F HA -0.210 4.318 4.527 0.001 0.000 0.298 358 F C 2.167 177.827 175.800 -0.233 0.000 1.105 358 F CA 1.668 59.558 58.000 -0.182 0.000 1.239 358 F CB -0.355 38.533 39.000 -0.186 0.000 0.991 358 F HN 0.053 nan 8.300 nan 0.000 0.474 359 L N -0.237 120.953 121.223 -0.055 0.000 2.477 359 L HA 0.042 4.382 4.340 0.001 0.000 0.220 359 L C 1.078 177.726 176.870 -0.369 0.000 1.106 359 L CA 0.383 55.120 54.840 -0.171 0.000 0.851 359 L CB -0.941 41.032 42.059 -0.143 0.000 0.994 359 L HN 0.264 nan 8.230 nan 0.000 0.462 360 Q N 0.937 120.345 119.800 -0.652 0.000 2.407 360 Q HA -0.298 4.042 4.340 0.001 0.000 0.277 360 Q C -0.226 175.143 176.000 -1.052 0.000 1.161 360 Q CA 1.218 56.281 55.803 -1.233 0.000 0.924 360 Q CB -2.317 25.868 28.738 -0.922 0.000 1.318 360 Q HN 0.713 nan 8.270 nan 0.000 0.513 361 N N -0.803 117.453 118.700 -0.741 0.000 2.533 361 N HA 0.199 4.940 4.740 0.001 0.000 0.289 361 N C -0.280 175.217 175.510 -0.022 0.000 1.103 361 N CA -0.503 52.391 53.050 -0.260 0.000 0.877 361 N CB 0.642 39.037 38.487 -0.153 0.000 1.419 361 N HN 0.091 nan 8.380 nan 0.000 0.517 362 F N 2.930 122.914 119.950 0.056 0.000 2.024 362 F HA -0.285 4.243 4.527 0.001 0.000 0.296 362 F C 2.472 178.296 175.800 0.041 0.000 1.137 362 F CA 2.145 60.240 58.000 0.159 0.000 1.200 362 F CB 0.145 39.257 39.000 0.187 0.000 0.954 362 F HN 0.619 nan 8.300 nan 0.000 0.497 363 R N 0.450 121.086 120.500 0.226 0.000 2.357 363 R HA 0.074 4.414 4.340 0.001 0.000 0.202 363 R C 1.425 177.745 176.300 0.033 0.000 1.047 363 R CA 0.879 57.048 56.100 0.114 0.000 1.034 363 R CB -0.646 29.715 30.300 0.100 0.000 0.875 363 R HN 0.304 nan 8.270 nan 0.000 0.473 364 A N 0.392 123.208 122.820 -0.007 0.000 1.963 364 A HA 0.038 4.358 4.320 0.001 0.000 0.207 364 A C 2.131 179.655 177.584 -0.100 0.000 1.243 364 A CA 0.760 52.765 52.037 -0.053 0.000 0.728 364 A CB -0.364 18.593 19.000 -0.071 0.000 0.895 364 A HN 0.265 nan 8.150 nan 0.000 0.467 365 T N 0.432 114.904 114.554 -0.137 0.000 2.833 365 T HA -0.055 4.295 4.350 0.001 0.000 0.269 365 T C 1.546 176.059 174.700 -0.312 0.000 1.054 365 T CA 1.307 63.275 62.100 -0.222 0.000 1.135 365 T CB -0.496 68.237 68.868 -0.226 0.000 0.869 365 T HN 0.338 nan 8.240 nan 0.000 0.466 366 L N 0.343 121.405 121.223 -0.268 0.000 2.549 366 L HA 0.050 4.390 4.340 0.001 0.000 0.229 366 L C 1.869 178.644 176.870 -0.160 0.000 1.158 366 L CA 0.378 55.065 54.840 -0.255 0.000 0.842 366 L CB -0.478 41.510 42.059 -0.117 0.000 0.952 366 L HN 0.343 nan 8.230 nan 0.000 0.452 367 I N 0.165 120.654 120.570 -0.136 0.000 2.185 367 I HA -0.101 4.069 4.170 0.001 0.000 0.235 367 I C -0.492 175.545 176.117 -0.133 0.000 1.069 367 I CA 0.771 62.004 61.300 -0.111 0.000 1.354 367 I CB -1.319 36.627 38.000 -0.089 0.000 1.093 367 I HN 0.104 nan 8.210 nan 0.000 0.411 368 P HA -0.043 nan 4.420 nan 0.000 0.239 368 P C 1.104 178.321 177.300 -0.139 0.000 1.184 368 P CA 1.179 64.203 63.100 -0.127 0.000 0.760 368 P CB -0.090 31.538 31.700 -0.120 0.000 0.884 369 T N -0.839 113.603 114.554 -0.187 0.000 2.837 369 T HA 0.092 4.442 4.350 0.001 0.000 0.248 369 T C 1.684 176.303 174.700 -0.135 0.000 1.033 369 T CA 0.457 62.434 62.100 -0.205 0.000 1.150 369 T CB -0.664 67.965 68.868 -0.398 0.000 0.865 369 T HN 0.034 nan 8.240 nan 0.000 0.425 370 I N 1.662 122.158 120.570 -0.124 0.000 2.502 370 I HA -0.232 3.938 4.170 0.001 0.000 0.258 370 I C 2.661 178.718 176.117 -0.099 0.000 1.172 370 I CA 0.713 61.965 61.300 -0.080 0.000 1.430 370 I CB -0.326 37.648 38.000 -0.044 0.000 1.086 370 I HN 0.220 nan 8.210 nan 0.000 0.440 371 A N 0.513 123.265 122.820 -0.113 0.000 1.858 371 A HA -0.180 4.140 4.320 0.001 0.000 0.216 371 A C 2.347 179.884 177.584 -0.079 0.000 1.190 371 A CA 1.938 53.909 52.037 -0.111 0.000 0.617 371 A CB -0.991 17.945 19.000 -0.107 0.000 0.827 371 A HN 0.222 nan 8.150 nan 0.000 0.443 372 V N 0.754 120.631 119.914 -0.061 0.000 2.218 372 V HA -0.284 3.837 4.120 0.001 0.000 0.251 372 V C 0.146 176.224 176.094 -0.026 0.000 1.057 372 V CA 2.828 65.108 62.300 -0.033 0.000 1.022 372 V CB -2.207 29.604 31.823 -0.020 0.000 0.645 372 V HN 0.374 nan 8.190 nan 0.000 0.451 373 P HA -0.163 nan 4.420 nan 0.000 0.214 373 P C 1.925 179.201 177.300 -0.040 0.000 1.169 373 P CA 1.973 65.052 63.100 -0.035 0.000 0.908 373 P CB -0.272 31.410 31.700 -0.031 0.000 0.791 374 V N -0.470 119.413 119.914 -0.053 0.000 2.252 374 V HA -0.247 3.873 4.120 0.001 0.000 0.249 374 V C 2.502 178.567 176.094 -0.049 0.000 1.056 374 V CA 2.306 64.568 62.300 -0.063 0.000 1.022 374 V CB -1.568 30.193 31.823 -0.103 0.000 0.641 374 V HN -0.038 nan 8.190 nan 0.000 0.445 375 V N -0.692 119.195 119.914 -0.046 0.000 2.358 375 V HA -0.227 3.894 4.120 0.001 0.000 0.246 375 V C 2.284 178.386 176.094 0.013 0.000 1.047 375 V CA 1.777 64.058 62.300 -0.032 0.000 1.035 375 V CB -0.605 31.193 31.823 -0.043 0.000 0.658 375 V HN 0.401 nan 8.190 nan 0.000 0.452 376 L N -0.633 120.613 121.223 0.037 0.000 1.955 376 L HA -0.195 4.145 4.340 0.001 0.000 0.213 376 L C 2.493 179.483 176.870 0.200 0.000 1.072 376 L CA 1.797 56.713 54.840 0.127 0.000 0.755 376 L CB -0.429 41.697 42.059 0.112 0.000 0.888 376 L HN 0.260 nan 8.230 nan 0.000 0.432 377 L N -0.692 120.551 121.223 0.034 0.000 2.021 377 L HA -0.257 4.084 4.340 0.001 0.000 0.215 377 L C 2.596 179.514 176.870 0.080 0.000 1.074 377 L CA 1.680 56.496 54.840 -0.040 0.000 0.760 377 L CB -1.402 40.600 42.059 -0.095 0.000 0.889 377 L HN 0.424 nan 8.230 nan 0.000 0.433 378 G N -0.872 107.955 108.800 0.045 0.000 2.469 378 G HA2 -0.271 3.689 3.960 0.001 0.000 0.219 378 G HA3 -0.271 3.689 3.960 0.001 0.000 0.219 378 G C 1.525 176.462 174.900 0.062 0.000 1.150 378 G CA 1.416 46.535 45.100 0.032 0.000 0.763 378 G HN 0.368 nan 8.290 nan 0.000 0.561 379 T N 1.298 115.906 114.554 0.089 0.000 2.622 379 T HA -0.155 4.196 4.350 0.001 0.000 0.266 379 T C 2.032 176.781 174.700 0.082 0.000 1.047 379 T CA 1.334 63.467 62.100 0.054 0.000 1.159 379 T CB -0.495 68.393 68.868 0.034 0.000 0.863 379 T HN 0.171 nan 8.240 nan 0.000 0.422 380 F N 1.896 121.831 119.950 -0.026 0.000 2.135 380 F HA -0.221 4.306 4.527 0.001 0.000 0.300 380 F C 2.638 178.437 175.800 -0.003 0.000 1.074 380 F CA 1.179 59.170 58.000 -0.015 0.000 1.262 380 F CB -0.929 38.060 39.000 -0.018 0.000 1.013 380 F HN 0.181 nan 8.300 nan 0.000 0.489 381 A N -0.407 122.518 122.820 0.174 0.000 1.840 381 A HA -0.098 4.223 4.320 0.001 0.000 0.214 381 A C 2.387 180.005 177.584 0.056 0.000 1.198 381 A CA 1.684 53.777 52.037 0.094 0.000 0.608 381 A CB -1.254 17.778 19.000 0.054 0.000 0.839 381 A HN 0.132 nan 8.150 nan 0.000 0.443 382 V N 0.377 120.300 119.914 0.015 0.000 2.324 382 V HA -0.302 3.818 4.120 0.001 0.000 0.250 382 V C 2.527 178.644 176.094 0.038 0.000 1.060 382 V CA 2.012 64.291 62.300 -0.036 0.000 1.042 382 V CB -0.870 30.881 31.823 -0.119 0.000 0.650 382 V HN 0.551 nan 8.190 nan 0.000 0.450 383 L N -0.473 120.788 121.223 0.064 0.000 1.929 383 L HA -0.283 4.057 4.340 0.001 0.000 0.229 383 L C 2.732 179.709 176.870 0.178 0.000 1.086 383 L CA 2.000 56.926 54.840 0.143 0.000 0.798 383 L CB -1.118 40.957 42.059 0.026 0.000 0.898 383 L HN 0.378 nan 8.230 nan 0.000 0.436 384 A N 0.006 122.895 122.820 0.114 0.000 1.879 384 A HA -0.352 3.968 4.320 0.001 0.000 0.234 384 A C 1.602 179.256 177.584 0.116 0.000 1.742 384 A CA 2.494 54.593 52.037 0.103 0.000 0.775 384 A CB -1.404 17.650 19.000 0.091 0.000 0.849 384 A HN 0.567 nan 8.150 nan 0.000 0.487 385 A N -2.657 120.234 122.820 0.119 0.000 3.037 385 A HA 0.575 4.895 4.320 0.001 0.000 0.272 385 A C 0.308 178.052 177.584 0.266 0.000 1.723 385 A CA 0.245 52.364 52.037 0.137 0.000 1.413 385 A CB -0.667 18.391 19.000 0.096 0.000 1.112 385 A HN 0.797 nan 8.150 nan 0.000 0.606 386 F N -0.613 119.343 119.950 0.010 0.000 1.746 386 F HA 0.386 4.914 4.527 0.001 0.000 0.248 386 F C 1.455 177.200 175.800 -0.092 0.000 1.206 386 F CA 0.376 58.373 58.000 -0.005 0.000 1.313 386 F CB 0.308 39.342 39.000 0.057 0.000 1.848 386 F HN 0.493 nan 8.300 nan 0.000 0.333 387 G N -0.011 108.733 108.800 -0.093 0.000 4.589 387 G HA2 0.124 4.085 3.960 0.001 0.000 0.218 387 G HA3 0.124 4.085 3.960 0.001 0.000 0.218 387 G C -0.729 173.885 174.900 -0.476 0.000 0.678 387 G CA -0.290 44.579 45.100 -0.385 0.000 0.859 387 G HN 0.082 nan 8.290 nan 0.000 0.650 388 F N 1.955 121.931 119.950 0.043 0.000 2.557 388 F HA 0.787 5.315 4.527 0.001 0.000 0.336 388 F C 0.613 176.410 175.800 -0.004 0.000 1.058 388 F CA -0.883 57.127 58.000 0.017 0.000 0.988 388 F CB 2.110 41.120 39.000 0.017 0.000 1.275 388 F HN 0.050 nan 8.300 nan 0.000 0.488 389 S N 0.268 116.101 115.700 0.221 0.000 2.548 389 S HA 0.626 5.096 4.470 0.001 0.000 0.286 389 S C -0.750 173.848 174.600 -0.003 0.000 1.098 389 S CA -0.920 57.327 58.200 0.079 0.000 0.930 389 S CB 1.431 64.666 63.200 0.059 0.000 1.070 389 S HN 0.475 nan 8.310 nan 0.000 0.480 390 I N 3.526 124.060 120.570 -0.060 0.000 2.821 390 I HA 0.017 4.187 4.170 0.001 0.000 0.294 390 I C 0.331 176.362 176.117 -0.145 0.000 1.210 390 I CA 0.760 61.973 61.300 -0.145 0.000 1.430 390 I CB -0.575 37.353 38.000 -0.120 0.000 1.356 390 I HN 0.928 nan 8.210 nan 0.000 0.563 391 N N 1.683 120.255 118.700 -0.213 0.000 3.106 391 N HA 0.269 5.009 4.740 0.001 0.000 0.253 391 N C 0.098 175.402 175.510 -0.344 0.000 1.506 391 N CA -0.634 52.267 53.050 -0.249 0.000 0.876 391 N CB 0.498 38.881 38.487 -0.174 0.000 1.452 391 N HN 0.285 nan 8.380 nan 0.000 0.542 392 T N 0.314 114.618 114.554 -0.417 0.000 2.569 392 T HA -0.116 4.234 4.350 0.001 0.000 0.263 392 T C 1.689 176.124 174.700 -0.441 0.000 1.074 392 T CA 1.906 63.708 62.100 -0.497 0.000 1.176 392 T CB -0.650 67.954 68.868 -0.439 0.000 0.863 392 T HN 0.409 nan 8.240 nan 0.000 0.410 393 L N 1.277 122.373 121.223 -0.212 0.000 2.021 393 L HA -0.203 4.137 4.340 0.001 0.000 0.215 393 L C 3.078 179.433 176.870 -0.859 0.000 1.074 393 L CA 1.990 56.546 54.840 -0.474 0.000 0.760 393 L CB -1.239 40.580 42.059 -0.401 0.000 0.889 393 L HN 0.533 nan 8.230 nan 0.000 0.433 394 T N -4.444 109.771 114.554 -0.564 0.000 2.951 394 T HA -0.122 4.228 4.350 0.001 0.000 0.268 394 T C 1.861 176.336 174.700 -0.375 0.000 1.073 394 T CA 0.619 62.425 62.100 -0.491 0.000 1.134 394 T CB -0.110 68.524 68.868 -0.391 0.000 0.884 394 T HN 0.040 nan 8.240 nan 0.000 0.479 395 M N 0.329 119.707 119.600 -0.370 0.000 2.254 395 M HA 0.255 4.735 4.480 0.001 0.000 0.265 395 M C 1.903 178.136 176.300 -0.112 0.000 1.066 395 M CA 0.814 55.941 55.300 -0.287 0.000 1.123 395 M CB -1.151 31.231 32.600 -0.363 0.000 1.388 395 M HN 0.354 nan 8.290 nan 0.000 0.425 396 F N -0.275 119.630 119.950 -0.074 0.000 2.098 396 F HA -0.092 4.436 4.527 0.001 0.000 0.294 396 F C 2.477 178.382 175.800 0.174 0.000 1.107 396 F CA 0.709 58.768 58.000 0.097 0.000 1.234 396 F CB -0.923 38.276 39.000 0.331 0.000 1.002 396 F HN 0.242 nan 8.300 nan 0.000 0.472 397 G N 0.736 109.760 108.800 0.374 0.000 2.597 397 G HA2 -0.350 3.611 3.960 0.001 0.000 0.222 397 G HA3 -0.350 3.611 3.960 0.001 0.000 0.222 397 G C 1.539 176.544 174.900 0.176 0.000 1.135 397 G CA 1.290 46.583 45.100 0.322 0.000 0.759 397 G HN 0.117 nan 8.290 nan 0.000 0.595 398 M N 0.234 119.880 119.600 0.076 0.000 2.065 398 M HA -0.092 4.388 4.480 0.001 0.000 0.259 398 M C 2.863 179.227 176.300 0.107 0.000 1.069 398 M CA 1.127 56.461 55.300 0.057 0.000 1.110 398 M CB -1.440 31.168 32.600 0.012 0.000 1.328 398 M HN 0.183 nan 8.290 nan 0.000 0.405 399 V N 0.092 120.089 119.914 0.139 0.000 2.295 399 V HA -0.226 3.895 4.120 0.001 0.000 0.246 399 V C 2.490 178.662 176.094 0.130 0.000 1.049 399 V CA 1.368 63.736 62.300 0.113 0.000 1.024 399 V CB -0.976 30.914 31.823 0.112 0.000 0.648 399 V HN 0.342 nan 8.190 nan 0.000 0.447 400 L N 0.308 121.646 121.223 0.192 0.000 2.450 400 L HA -0.045 4.296 4.340 0.001 0.000 0.224 400 L C 2.232 179.262 176.870 0.268 0.000 1.149 400 L CA 1.417 56.403 54.840 0.244 0.000 0.816 400 L CB -0.502 41.723 42.059 0.276 0.000 0.932 400 L HN 0.348 nan 8.230 nan 0.000 0.449 401 A N -1.108 121.825 122.820 0.188 0.000 2.348 401 A HA 0.212 4.533 4.320 0.001 0.000 0.224 401 A C 1.965 179.610 177.584 0.102 0.000 1.227 401 A CA -0.124 51.975 52.037 0.103 0.000 0.885 401 A CB -0.331 18.691 19.000 0.037 0.000 0.933 401 A HN 0.326 nan 8.150 nan 0.000 0.506 402 I N 0.134 120.808 120.570 0.175 0.000 2.423 402 I HA -0.197 3.973 4.170 0.001 0.000 0.254 402 I C 2.561 178.795 176.117 0.194 0.000 1.151 402 I CA 1.041 62.443 61.300 0.170 0.000 1.421 402 I CB -0.532 37.570 38.000 0.169 0.000 1.079 402 I HN 0.335 nan 8.210 nan 0.000 0.431 403 G N 1.693 110.659 108.800 0.277 0.000 2.552 403 G HA2 -0.226 3.735 3.960 0.001 0.000 0.216 403 G HA3 -0.226 3.735 3.960 0.001 0.000 0.216 403 G C 1.329 176.133 174.900 -0.161 0.000 1.240 403 G CA 0.601 45.605 45.100 -0.161 0.000 0.796 403 G HN 0.259 nan 8.290 nan 0.000 0.568 404 L N 0.594 121.740 121.223 -0.128 0.000 2.711 404 L HA 0.296 4.637 4.340 0.001 0.000 0.242 404 L C 2.055 178.862 176.870 -0.106 0.000 1.153 404 L CA 0.362 55.117 54.840 -0.140 0.000 0.898 404 L CB -0.012 41.930 42.059 -0.195 0.000 1.044 404 L HN 0.299 nan 8.230 nan 0.000 0.437 405 L N -2.823 118.358 121.223 -0.070 0.000 2.435 405 L HA 0.051 4.391 4.340 0.001 0.000 0.195 405 L C 2.164 179.000 176.870 -0.057 0.000 1.072 405 L CA 0.331 55.137 54.840 -0.056 0.000 0.833 405 L CB 0.011 42.054 42.059 -0.027 0.000 1.081 405 L HN -0.116 nan 8.230 nan 0.000 0.485 406 V N 1.449 121.341 119.914 -0.036 0.000 2.241 406 V HA -0.486 3.635 4.120 0.001 0.000 0.256 406 V C 2.088 178.136 176.094 -0.077 0.000 1.060 406 V CA 2.705 64.981 62.300 -0.041 0.000 1.065 406 V CB -0.810 31.007 31.823 -0.011 0.000 0.685 406 V HN 0.580 nan 8.190 nan 0.000 0.467 407 D N 0.198 120.540 120.400 -0.098 0.000 2.095 407 D HA -0.172 4.469 4.640 0.001 0.000 0.192 407 D C 1.700 177.945 176.300 -0.091 0.000 0.990 407 D CA 1.630 55.567 54.000 -0.105 0.000 0.836 407 D CB -0.626 40.104 40.800 -0.117 0.000 0.979 407 D HN 0.744 nan 8.370 nan 0.000 0.447 408 D N 0.335 120.686 120.400 -0.082 0.000 2.354 408 D HA -0.103 4.538 4.640 0.001 0.000 0.216 408 D C 1.499 177.758 176.300 -0.069 0.000 0.970 408 D CA 1.057 55.016 54.000 -0.068 0.000 0.905 408 D CB -0.362 40.400 40.800 -0.064 0.000 0.903 408 D HN 0.281 nan 8.370 nan 0.000 0.508 409 A N 0.499 123.272 122.820 -0.078 0.000 1.862 409 A HA 0.096 4.417 4.320 0.001 0.000 0.211 409 A C 2.223 179.757 177.584 -0.084 0.000 1.220 409 A CA 0.299 52.286 52.037 -0.083 0.000 0.616 409 A CB -0.781 18.167 19.000 -0.087 0.000 0.878 409 A HN 0.171 nan 8.150 nan 0.000 0.453 410 I N 0.200 120.715 120.570 -0.092 0.000 2.113 410 I HA -0.301 3.869 4.170 0.001 0.000 0.242 410 I C 2.301 178.362 176.117 -0.094 0.000 1.064 410 I CA 1.806 63.044 61.300 -0.104 0.000 1.320 410 I CB -0.068 37.858 38.000 -0.123 0.000 1.028 410 I HN 0.186 nan 8.210 nan 0.000 0.406 411 V N -0.225 119.637 119.914 -0.086 0.000 2.667 411 V HA -0.179 3.941 4.120 0.001 0.000 0.252 411 V C 2.208 178.276 176.094 -0.042 0.000 1.065 411 V CA 1.087 63.342 62.300 -0.074 0.000 1.083 411 V CB -0.176 31.599 31.823 -0.080 0.000 0.692 411 V HN 0.256 nan 8.190 nan 0.000 0.468 412 V N -0.311 119.579 119.914 -0.040 0.000 2.323 412 V HA -0.172 3.949 4.120 0.001 0.000 0.244 412 V C 2.414 178.490 176.094 -0.030 0.000 1.041 412 V CA 1.694 63.979 62.300 -0.025 0.000 1.025 412 V CB -0.294 31.508 31.823 -0.034 0.000 0.656 412 V HN 0.391 nan 8.190 nan 0.000 0.451 413 V N 0.083 119.967 119.914 -0.049 0.000 2.237 413 V HA -0.252 3.868 4.120 0.001 0.000 0.245 413 V C 2.657 178.725 176.094 -0.044 0.000 1.046 413 V CA 2.267 64.536 62.300 -0.052 0.000 1.007 413 V CB -0.693 31.088 31.823 -0.071 0.000 0.638 413 V HN 0.603 nan 8.190 nan 0.000 0.445 414 E N 0.699 120.868 120.200 -0.052 0.000 2.097 414 E HA -0.307 4.044 4.350 0.001 0.000 0.196 414 E C 2.058 178.651 176.600 -0.013 0.000 1.000 414 E CA 1.880 58.256 56.400 -0.041 0.000 0.804 414 E CB -0.434 29.231 29.700 -0.060 0.000 0.740 414 E HN 0.573 nan 8.360 nan 0.000 0.454 415 N N 0.041 118.738 118.700 -0.005 0.000 2.060 415 N HA -0.167 4.573 4.740 0.001 0.000 0.195 415 N C 1.864 177.391 175.510 0.028 0.000 1.028 415 N CA 1.841 54.909 53.050 0.030 0.000 0.861 415 N CB -0.274 38.242 38.487 0.047 0.000 1.029 415 N HN 0.056 nan 8.380 nan 0.000 0.428 416 V N 1.003 120.922 119.914 0.007 0.000 2.548 416 V HA -0.087 4.033 4.120 0.001 0.000 0.249 416 V C 2.015 178.107 176.094 -0.004 0.000 1.055 416 V CA 1.191 63.492 62.300 0.001 0.000 1.065 416 V CB -0.437 31.382 31.823 -0.008 0.000 0.681 416 V HN 0.269 nan 8.190 nan 0.000 0.462 417 E N 0.589 120.784 120.200 -0.008 0.000 2.058 417 E HA -0.225 4.125 4.350 0.001 0.000 0.194 417 E C 2.260 178.863 176.600 0.004 0.000 0.997 417 E CA 1.162 57.555 56.400 -0.011 0.000 0.801 417 E CB -0.459 29.235 29.700 -0.010 0.000 0.746 417 E HN 0.458 nan 8.360 nan 0.000 0.450 418 R N 0.844 121.361 120.500 0.029 0.000 2.083 418 R HA -0.110 4.230 4.340 0.001 0.000 0.237 418 R C 2.372 178.694 176.300 0.037 0.000 1.137 418 R CA 1.435 57.569 56.100 0.057 0.000 0.951 418 R CB -0.277 30.068 30.300 0.075 0.000 0.851 418 R HN 0.071 nan 8.270 nan 0.000 0.434 419 V N 0.970 120.902 119.914 0.029 0.000 2.407 419 V HA -0.248 3.872 4.120 0.001 0.000 0.248 419 V C 2.346 178.437 176.094 -0.004 0.000 1.055 419 V CA 1.665 63.975 62.300 0.018 0.000 1.049 419 V CB -0.369 31.464 31.823 0.016 0.000 0.662 419 V HN 0.376 nan 8.190 nan 0.000 0.455 420 M N -0.569 119.022 119.600 -0.016 0.000 2.558 420 M HA 0.096 4.577 4.480 0.001 0.000 0.255 420 M C 2.078 178.338 176.300 -0.067 0.000 1.113 420 M CA 1.121 56.401 55.300 -0.035 0.000 1.097 420 M CB -0.218 32.361 32.600 -0.034 0.000 1.426 420 M HN 0.400 nan 8.290 nan 0.000 0.488 421 A N 0.080 122.853 122.820 -0.079 0.000 2.123 421 A HA -0.009 4.311 4.320 0.001 0.000 0.214 421 A C 1.658 179.174 177.584 -0.115 0.000 1.152 421 A CA 0.900 52.830 52.037 -0.177 0.000 0.728 421 A CB -0.017 18.869 19.000 -0.191 0.000 0.814 421 A HN 0.431 nan 8.150 nan 0.000 0.464 422 E N -0.885 119.295 120.200 -0.035 0.000 2.343 422 E HA 0.065 4.416 4.350 0.001 0.000 0.223 422 E C 1.684 178.279 176.600 -0.008 0.000 0.977 422 E CA -0.031 56.369 56.400 -0.001 0.000 1.027 422 E CB -0.035 29.685 29.700 0.033 0.000 1.769 422 E HN 0.445 nan 8.360 nan 0.000 0.531 423 E N -0.081 120.117 120.200 -0.003 0.000 2.001 423 E HA -0.078 4.273 4.350 0.001 0.000 0.195 423 E C 0.253 176.846 176.600 -0.013 0.000 1.002 423 E CA 1.179 57.576 56.400 -0.005 0.000 0.819 423 E CB 0.074 29.771 29.700 -0.004 0.000 0.769 423 E HN 0.427 nan 8.360 nan 0.000 0.454 424 G N 0.445 109.235 108.800 -0.016 0.000 2.398 424 G HA2 -0.066 3.894 3.960 0.001 0.000 0.221 424 G HA3 -0.066 3.894 3.960 0.001 0.000 0.221 424 G C -0.635 174.256 174.900 -0.015 0.000 1.112 424 G CA -0.513 44.576 45.100 -0.019 0.000 0.823 424 G HN 0.021 nan 8.290 nan 0.000 0.487 425 L N 1.048 122.263 121.223 -0.014 0.000 2.265 425 L HA 0.432 4.772 4.340 0.001 0.000 0.289 425 L C -1.922 174.941 176.870 -0.011 0.000 1.033 425 L CA -2.192 52.641 54.840 -0.012 0.000 0.814 425 L CB 1.583 43.636 42.059 -0.010 0.000 1.203 425 L HN -0.082 nan 8.230 nan 0.000 0.423 426 P HA -0.035 nan 4.420 nan 0.000 0.261 426 P C -1.867 175.430 177.300 -0.005 0.000 1.173 426 P CA -0.707 62.389 63.100 -0.007 0.000 0.760 426 P CB 0.086 31.783 31.700 -0.005 0.000 0.783 427 P HA -0.307 nan 4.420 nan 0.000 0.226 427 P C 1.384 178.685 177.300 0.001 0.000 1.154 427 P CA 2.065 65.165 63.100 -0.002 0.000 0.918 427 P CB -0.104 31.598 31.700 0.003 0.000 0.790 428 K N -0.476 119.926 120.400 0.004 0.000 1.971 428 K HA -0.194 4.126 4.320 0.001 0.000 0.221 428 K C 2.070 178.668 176.600 -0.002 0.000 1.050 428 K CA 1.670 57.960 56.287 0.005 0.000 0.967 428 K CB -0.655 31.848 32.500 0.006 0.000 0.733 428 K HN 0.224 nan 8.250 nan 0.000 0.445 429 E N 0.501 120.697 120.200 -0.006 0.000 2.114 429 E HA -0.240 4.110 4.350 0.001 0.000 0.199 429 E C 2.044 178.638 176.600 -0.011 0.000 1.008 429 E CA 1.340 57.733 56.400 -0.011 0.000 0.810 429 E CB -0.371 29.321 29.700 -0.012 0.000 0.739 429 E HN 0.381 nan 8.360 nan 0.000 0.456 430 A N 1.345 124.160 122.820 -0.008 0.000 1.917 430 A HA -0.209 4.112 4.320 0.001 0.000 0.219 430 A C 2.494 180.076 177.584 -0.003 0.000 1.182 430 A CA 2.360 54.394 52.037 -0.005 0.000 0.633 430 A CB -1.017 17.980 19.000 -0.005 0.000 0.819 430 A HN 0.294 nan 8.150 nan 0.000 0.448 431 T N 0.350 114.902 114.554 -0.003 0.000 2.674 431 T HA -0.177 4.174 4.350 0.001 0.000 0.265 431 T C 1.995 176.692 174.700 -0.005 0.000 1.039 431 T CA 1.779 63.879 62.100 -0.001 0.000 1.150 431 T CB -0.349 68.520 68.868 0.002 0.000 0.864 431 T HN 0.829 nan 8.240 nan 0.000 0.427 432 R N 1.331 121.824 120.500 -0.011 0.000 2.148 432 R HA 0.072 4.412 4.340 0.001 0.000 0.227 432 R C 2.185 178.470 176.300 -0.025 0.000 1.103 432 R CA 1.310 57.397 56.100 -0.021 0.000 0.983 432 R CB -0.233 30.049 30.300 -0.030 0.000 0.874 432 R HN 0.168 nan 8.270 nan 0.000 0.451 433 K N 1.343 121.731 120.400 -0.020 0.000 2.217 433 K HA -0.035 4.285 4.320 0.001 0.000 0.202 433 K C 2.018 178.608 176.600 -0.016 0.000 1.051 433 K CA 1.522 57.796 56.287 -0.022 0.000 0.952 433 K CB 0.092 32.583 32.500 -0.016 0.000 0.736 433 K HN 0.380 nan 8.250 nan 0.000 0.453 434 S N -1.043 114.655 115.700 -0.003 0.000 2.441 434 S HA 0.017 4.487 4.470 0.001 0.000 0.224 434 S C 1.879 176.487 174.600 0.014 0.000 1.043 434 S CA 0.236 58.446 58.200 0.017 0.000 0.948 434 S CB -0.086 63.129 63.200 0.025 0.000 0.810 434 S HN 0.089 nan 8.310 nan 0.000 0.504 435 M N 1.737 121.337 119.600 -0.000 0.000 2.216 435 M HA 0.213 4.693 4.480 0.001 0.000 0.264 435 M C 2.358 178.647 176.300 -0.019 0.000 1.080 435 M CA 1.440 56.739 55.300 -0.002 0.000 1.153 435 M CB -1.841 30.758 32.600 -0.001 0.000 1.356 435 M HN 0.562 nan 8.290 nan 0.000 0.432 436 G N -0.416 108.364 108.800 -0.033 0.000 2.740 436 G HA2 -0.179 3.782 3.960 0.001 0.000 0.208 436 G HA3 -0.179 3.782 3.960 0.001 0.000 0.208 436 G C 1.355 176.213 174.900 -0.070 0.000 1.148 436 G CA 0.361 45.431 45.100 -0.050 0.000 0.795 436 G HN 0.455 nan 8.290 nan 0.000 0.526 437 Q N -0.219 119.539 119.800 -0.072 0.000 2.189 437 Q HA 0.207 4.547 4.340 0.001 0.000 0.223 437 Q C 1.545 177.461 176.000 -0.139 0.000 0.828 437 Q CA 0.118 55.842 55.803 -0.132 0.000 0.967 437 Q CB 0.608 29.273 28.738 -0.122 0.000 1.139 437 Q HN 0.741 nan 8.270 nan 0.000 0.497 438 I N -3.480 117.070 120.570 -0.033 0.000 4.453 438 I HA 0.205 4.375 4.170 0.001 0.000 0.342 438 I C 1.591 177.715 176.117 0.012 0.000 1.341 438 I CA -0.282 61.041 61.300 0.038 0.000 1.217 438 I CB 0.148 38.237 38.000 0.148 0.000 1.545 438 I HN -0.137 nan 8.210 nan 0.000 0.557 439 Q N 2.608 122.398 119.800 -0.018 0.000 1.900 439 Q HA -0.200 4.141 4.340 0.001 0.000 0.219 439 Q C 2.045 178.030 176.000 -0.025 0.000 1.012 439 Q CA 3.191 58.982 55.803 -0.020 0.000 0.876 439 Q CB -0.489 28.231 28.738 -0.030 0.000 0.952 439 Q HN 0.638 nan 8.270 nan 0.000 0.419 440 G N -0.022 108.753 108.800 -0.042 0.000 2.432 440 G HA2 -0.201 3.759 3.960 0.001 0.000 0.219 440 G HA3 -0.201 3.759 3.960 0.001 0.000 0.219 440 G C 1.489 176.354 174.900 -0.059 0.000 1.135 440 G CA 1.153 46.220 45.100 -0.056 0.000 0.767 440 G HN 0.578 nan 8.290 nan 0.000 0.550 441 A N 0.881 123.678 122.820 -0.038 0.000 1.892 441 A HA -0.023 4.297 4.320 0.001 0.000 0.218 441 A C 2.413 179.992 177.584 -0.010 0.000 1.188 441 A CA 1.495 53.525 52.037 -0.011 0.000 0.631 441 A CB -0.448 18.595 19.000 0.072 0.000 0.822 441 A HN 0.362 nan 8.150 nan 0.000 0.447 442 L N -0.452 120.768 121.223 -0.005 0.000 2.156 442 L HA -0.097 4.243 4.340 0.001 0.000 0.208 442 L C 2.240 179.092 176.870 -0.030 0.000 1.095 442 L CA 0.841 55.671 54.840 -0.016 0.000 0.770 442 L CB -0.565 41.485 42.059 -0.015 0.000 0.914 442 L HN 0.241 nan 8.230 nan 0.000 0.439 443 V N 0.224 120.118 119.914 -0.033 0.000 3.141 443 V HA -0.064 4.056 4.120 0.001 0.000 0.265 443 V C 2.427 178.493 176.094 -0.047 0.000 1.126 443 V CA 1.365 63.643 62.300 -0.037 0.000 1.141 443 V CB -0.799 31.004 31.823 -0.032 0.000 0.743 443 V HN 0.512 nan 8.190 nan 0.000 0.492 444 G N 1.870 110.636 108.800 -0.056 0.000 2.454 444 G HA2 -0.196 3.764 3.960 0.001 0.000 0.214 444 G HA3 -0.196 3.764 3.960 0.001 0.000 0.214 444 G C 1.376 176.251 174.900 -0.042 0.000 1.217 444 G CA 0.991 46.050 45.100 -0.070 0.000 0.799 444 G HN 0.675 nan 8.290 nan 0.000 0.538 445 I N 0.138 120.690 120.570 -0.031 0.000 3.164 445 I HA 0.289 4.460 4.170 0.001 0.000 0.278 445 I C 2.291 178.386 176.117 -0.038 0.000 1.320 445 I CA 0.717 62.003 61.300 -0.023 0.000 1.422 445 I CB -0.312 37.674 38.000 -0.024 0.000 1.066 445 I HN 0.103 nan 8.210 nan 0.000 0.503 446 A N 0.179 122.975 122.820 -0.041 0.000 1.975 446 A HA 0.102 4.423 4.320 0.001 0.000 0.215 446 A C 2.181 179.744 177.584 -0.035 0.000 1.170 446 A CA 1.616 53.624 52.037 -0.048 0.000 0.656 446 A CB -0.307 18.666 19.000 -0.044 0.000 0.821 446 A HN 0.495 nan 8.150 nan 0.000 0.449 447 M N -1.097 118.492 119.600 -0.019 0.000 2.718 447 M HA 0.130 4.610 4.480 0.001 0.000 0.259 447 M C 1.693 178.008 176.300 0.025 0.000 1.240 447 M CA 1.009 56.310 55.300 0.001 0.000 1.210 447 M CB 0.194 32.793 32.600 -0.001 0.000 1.281 447 M HN 0.063 nan 8.290 nan 0.000 0.515 448 V N 0.832 120.760 119.914 0.023 0.000 2.594 448 V HA -0.208 3.912 4.120 0.001 0.000 0.253 448 V C 1.928 178.071 176.094 0.081 0.000 1.069 448 V CA 1.415 63.746 62.300 0.052 0.000 1.082 448 V CB -1.053 30.798 31.823 0.048 0.000 0.680 448 V HN 0.476 nan 8.190 nan 0.000 0.469 449 L N -1.264 119.999 121.223 0.067 0.000 2.554 449 L HA 0.195 4.536 4.340 0.001 0.000 0.225 449 L C 2.190 179.167 176.870 0.178 0.000 1.104 449 L CA 0.625 55.534 54.840 0.115 0.000 0.866 449 L CB -0.227 41.850 42.059 0.030 0.000 1.047 449 L HN 0.231 nan 8.230 nan 0.000 0.468 450 S N 0.221 115.974 115.700 0.089 0.000 2.524 450 S HA 0.164 4.634 4.470 0.001 0.000 0.216 450 S C 1.990 176.694 174.600 0.172 0.000 0.987 450 S CA 0.713 58.987 58.200 0.123 0.000 0.909 450 S CB 0.197 63.415 63.200 0.029 0.000 0.781 450 S HN 0.400 nan 8.310 nan 0.000 0.521 451 A N 0.844 123.749 122.820 0.141 0.000 2.067 451 A HA 0.033 4.354 4.320 0.001 0.000 0.219 451 A C 2.050 179.699 177.584 0.108 0.000 1.158 451 A CA 1.484 53.592 52.037 0.119 0.000 0.661 451 A CB -0.535 18.527 19.000 0.104 0.000 0.801 451 A HN 0.621 nan 8.150 nan 0.000 0.452 452 V N -4.965 115.024 119.914 0.126 0.000 2.825 452 V HA 0.106 4.226 4.120 0.001 0.000 0.246 452 V C 2.093 178.147 176.094 -0.067 0.000 1.068 452 V CA 0.816 63.117 62.300 0.003 0.000 1.088 452 V CB -1.114 30.676 31.823 -0.056 0.000 0.733 452 V HN 0.288 nan 8.190 nan 0.000 0.468 453 F N 0.921 120.859 119.950 -0.020 0.000 2.149 453 F HA 0.036 4.564 4.527 0.001 0.000 0.294 453 F C 2.480 178.274 175.800 -0.010 0.000 1.095 453 F CA 1.836 59.828 58.000 -0.013 0.000 1.276 453 F CB -0.570 38.425 39.000 -0.008 0.000 1.023 453 F HN -0.089 nan 8.300 nan 0.000 0.480 454 V N 0.999 121.012 119.914 0.166 0.000 2.219 454 V HA -0.270 3.851 4.120 0.001 0.000 0.248 454 V C -0.344 175.723 176.094 -0.045 0.000 1.053 454 V CA 2.356 64.681 62.300 0.042 0.000 1.009 454 V CB -1.792 30.068 31.823 0.061 0.000 0.636 454 V HN 0.161 nan 8.190 nan 0.000 0.445 455 P HA -0.171 nan 4.420 nan 0.000 0.217 455 P C 1.677 179.001 177.300 0.040 0.000 1.148 455 P CA 1.521 64.662 63.100 0.069 0.000 0.834 455 P CB -0.154 31.580 31.700 0.057 0.000 0.783 456 M N -1.891 117.738 119.600 0.049 0.000 2.619 456 M HA 0.091 4.572 4.480 0.001 0.000 0.251 456 M C 1.838 178.315 176.300 0.296 0.000 1.106 456 M CA 0.646 56.068 55.300 0.203 0.000 1.086 456 M CB -1.544 31.196 32.600 0.232 0.000 1.465 456 M HN -0.098 nan 8.290 nan 0.000 0.506 457 A N -0.186 122.670 122.820 0.059 0.000 1.968 457 A HA -0.010 4.310 4.320 0.001 0.000 0.217 457 A C 1.264 178.848 177.584 0.001 0.000 1.169 457 A CA 0.620 52.647 52.037 -0.018 0.000 0.638 457 A CB -0.735 18.117 19.000 -0.245 0.000 0.812 457 A HN 0.441 nan 8.150 nan 0.000 0.446 458 F N -0.422 119.629 119.950 0.169 0.000 2.833 458 F HA 0.311 4.838 4.527 0.001 0.000 0.327 458 F C 0.133 175.957 175.800 0.040 0.000 1.184 458 F CA -0.700 57.358 58.000 0.098 0.000 1.328 458 F CB -0.431 38.592 39.000 0.037 0.000 1.440 458 F HN 0.055 nan 8.300 nan 0.000 0.569 459 F N 0.364 120.398 119.950 0.140 0.000 2.370 459 F HA 0.554 5.082 4.527 0.001 0.000 0.324 459 F C 1.019 176.875 175.800 0.093 0.000 1.116 459 F CA -0.464 57.565 58.000 0.049 0.000 1.123 459 F CB 0.982 39.950 39.000 -0.053 0.000 1.238 459 F HN 0.034 nan 8.300 nan 0.000 0.536 460 G N 1.220 110.170 108.800 0.251 0.000 2.379 460 G HA2 0.507 4.468 3.960 0.001 0.000 0.327 460 G HA3 0.507 4.468 3.960 0.001 0.000 0.327 460 G C -0.005 175.004 174.900 0.183 0.000 1.145 460 G CA 0.062 45.260 45.100 0.163 0.000 0.905 460 G HN 1.153 nan 8.290 nan 0.000 0.466 461 G N 1.070 109.948 108.800 0.130 0.000 2.509 461 G HA2 -0.232 3.729 3.960 0.001 0.000 0.259 461 G HA3 -0.232 3.729 3.960 0.001 0.000 0.259 461 G C 1.606 176.578 174.900 0.119 0.000 1.169 461 G CA 0.895 46.053 45.100 0.097 0.000 0.953 461 G HN 1.634 nan 8.290 nan 0.000 0.563 462 S N -0.437 115.310 115.700 0.078 0.000 2.370 462 S HA -0.124 4.346 4.470 0.001 0.000 0.226 462 S C 2.473 177.158 174.600 0.142 0.000 1.033 462 S CA 2.926 61.164 58.200 0.062 0.000 1.011 462 S CB -0.766 62.400 63.200 -0.057 0.000 0.852 462 S HN 1.305 nan 8.310 nan 0.000 0.457 463 T N 0.797 115.460 114.554 0.182 0.000 3.035 463 T HA 0.118 4.469 4.350 0.001 0.000 0.268 463 T C 1.802 176.690 174.700 0.313 0.000 1.109 463 T CA 0.808 63.096 62.100 0.312 0.000 1.119 463 T CB -0.883 68.123 68.868 0.230 0.000 0.900 463 T HN 0.501 nan 8.240 nan 0.000 0.503 464 G N 2.139 111.117 108.800 0.297 0.000 2.771 464 G HA2 -0.134 3.826 3.960 0.001 0.000 0.214 464 G HA3 -0.134 3.826 3.960 0.001 0.000 0.214 464 G C 1.861 176.945 174.900 0.305 0.000 1.331 464 G CA 0.989 46.282 45.100 0.323 0.000 0.812 464 G HN 0.563 nan 8.290 nan 0.000 0.628 465 A N 0.258 123.232 122.820 0.256 0.000 1.978 465 A HA -0.047 4.273 4.320 0.001 0.000 0.220 465 A C 2.394 180.094 177.584 0.194 0.000 1.170 465 A CA 1.693 53.885 52.037 0.259 0.000 0.636 465 A CB -0.349 18.801 19.000 0.249 0.000 0.810 465 A HN 0.355 nan 8.150 nan 0.000 0.448 466 I N -1.751 118.928 120.570 0.182 0.000 2.151 466 I HA -0.269 3.901 4.170 0.001 0.000 0.243 466 I C 2.331 178.475 176.117 0.046 0.000 1.080 466 I CA 1.696 63.053 61.300 0.096 0.000 1.339 466 I CB -1.610 36.465 38.000 0.125 0.000 1.039 466 I HN 0.430 nan 8.210 nan 0.000 0.409 467 Y N 0.541 120.858 120.300 0.029 0.000 2.337 467 Y HA -0.064 4.487 4.550 0.001 0.000 0.293 467 Y C 2.811 178.757 175.900 0.076 0.000 1.123 467 Y CA 1.100 59.214 58.100 0.024 0.000 1.201 467 Y CB -0.294 38.125 38.460 -0.068 0.000 1.011 467 Y HN 0.042 nan 8.280 nan 0.000 0.545 468 R N 0.044 120.678 120.500 0.224 0.000 2.148 468 R HA -0.159 4.182 4.340 0.001 0.000 0.227 468 R C 2.015 178.219 176.300 -0.160 0.000 1.103 468 R CA 0.947 57.133 56.100 0.144 0.000 0.983 468 R CB 0.120 30.604 30.300 0.307 0.000 0.874 468 R HN 0.336 nan 8.270 nan 0.000 0.451 469 Q N -0.033 119.607 119.800 -0.266 0.000 1.921 469 Q HA -0.204 4.137 4.340 0.001 0.000 0.208 469 Q C 2.013 177.787 176.000 -0.377 0.000 0.994 469 Q CA 1.751 57.221 55.803 -0.554 0.000 0.857 469 Q CB -0.836 27.631 28.738 -0.452 0.000 0.925 469 Q HN 0.297 nan 8.270 nan 0.000 0.421 470 F N 1.549 121.387 119.950 -0.187 0.000 2.011 470 F HA -0.224 4.303 4.527 0.001 0.000 0.296 470 F C 2.698 178.492 175.800 -0.010 0.000 1.144 470 F CA 1.610 59.553 58.000 -0.095 0.000 1.185 470 F CB -0.691 38.228 39.000 -0.135 0.000 0.961 470 F HN 0.075 nan 8.300 nan 0.000 0.485 471 S N -0.583 115.266 115.700 0.248 0.000 2.693 471 S HA -0.109 4.362 4.470 0.001 0.000 0.243 471 S C 1.267 175.958 174.600 0.153 0.000 0.973 471 S CA 0.765 59.106 58.200 0.235 0.000 0.969 471 S CB -0.721 62.593 63.200 0.191 0.000 0.771 471 S HN 0.431 nan 8.310 nan 0.000 0.542 472 I N -1.438 119.173 120.570 0.069 0.000 4.547 472 I HA 0.007 4.178 4.170 0.001 0.000 0.303 472 I C 1.796 177.898 176.117 -0.026 0.000 1.188 472 I CA 0.396 61.717 61.300 0.036 0.000 1.320 472 I CB -0.139 37.918 38.000 0.096 0.000 1.495 472 I HN 0.163 nan 8.210 nan 0.000 0.462 473 T N 1.892 116.382 114.554 -0.107 0.000 2.737 473 T HA -0.159 4.192 4.350 0.001 0.000 0.269 473 T C 1.721 176.380 174.700 -0.067 0.000 1.040 473 T CA 1.885 63.905 62.100 -0.132 0.000 1.142 473 T CB -0.277 68.459 68.868 -0.221 0.000 0.861 473 T HN 0.280 nan 8.240 nan 0.000 0.456 474 I N 0.453 121.021 120.570 -0.003 0.000 2.277 474 I HA -0.080 4.090 4.170 0.001 0.000 0.243 474 I C 2.492 178.511 176.117 -0.164 0.000 1.094 474 I CA 0.525 61.794 61.300 -0.052 0.000 1.393 474 I CB -0.505 37.507 38.000 0.022 0.000 1.078 474 I HN 0.047 nan 8.210 nan 0.000 0.417 475 V N 1.403 121.243 119.914 -0.122 0.000 2.282 475 V HA -0.335 3.786 4.120 0.001 0.000 0.249 475 V C 2.654 178.673 176.094 -0.125 0.000 1.057 475 V CA 2.514 64.733 62.300 -0.136 0.000 1.032 475 V CB -1.005 30.801 31.823 -0.029 0.000 0.645 475 V HN 0.570 nan 8.190 nan 0.000 0.447 476 S N 1.370 117.009 115.700 -0.101 0.000 2.344 476 S HA -0.224 4.247 4.470 0.001 0.000 0.217 476 S C 2.235 176.774 174.600 -0.102 0.000 1.033 476 S CA 1.375 59.508 58.200 -0.111 0.000 1.017 476 S CB -1.095 62.041 63.200 -0.108 0.000 0.941 476 S HN 0.668 nan 8.310 nan 0.000 0.430 477 A N 2.373 125.140 122.820 -0.090 0.000 1.971 477 A HA -0.223 4.097 4.320 0.001 0.000 0.222 477 A C 2.235 179.758 177.584 -0.101 0.000 1.182 477 A CA 2.241 54.232 52.037 -0.076 0.000 0.649 477 A CB -0.928 18.036 19.000 -0.060 0.000 0.818 477 A HN 0.635 nan 8.150 nan 0.000 0.458 478 M N -0.521 118.992 119.600 -0.146 0.000 2.074 478 M HA -0.094 4.386 4.480 0.001 0.000 0.259 478 M C 2.293 178.517 176.300 -0.127 0.000 1.079 478 M CA 2.075 57.272 55.300 -0.171 0.000 1.119 478 M CB -0.429 32.016 32.600 -0.259 0.000 1.297 478 M HN 0.388 nan 8.290 nan 0.000 0.416 479 A N 0.298 123.048 122.820 -0.117 0.000 2.125 479 A HA -0.082 4.239 4.320 0.001 0.000 0.219 479 A C 1.888 179.421 177.584 -0.086 0.000 1.156 479 A CA 1.153 53.134 52.037 -0.093 0.000 0.671 479 A CB -0.879 18.070 19.000 -0.084 0.000 0.794 479 A HN 0.658 nan 8.150 nan 0.000 0.459 480 L N -0.209 120.961 121.223 -0.089 0.000 2.567 480 L HA -0.010 4.330 4.340 0.001 0.000 0.225 480 L C 2.497 179.317 176.870 -0.083 0.000 1.119 480 L CA 0.920 55.711 54.840 -0.082 0.000 0.871 480 L CB 0.024 42.039 42.059 -0.073 0.000 1.036 480 L HN 0.544 nan 8.230 nan 0.000 0.459 481 S N -1.627 114.022 115.700 -0.085 0.000 2.503 481 S HA -0.002 4.468 4.470 0.001 0.000 0.217 481 S C 1.688 176.238 174.600 -0.084 0.000 0.999 481 S CA 0.193 58.342 58.200 -0.085 0.000 0.914 481 S CB 0.024 63.173 63.200 -0.085 0.000 0.782 481 S HN 0.099 nan 8.310 nan 0.000 0.520 482 V N 2.005 121.871 119.914 -0.081 0.000 2.302 482 V HA 0.042 4.163 4.120 0.001 0.000 0.243 482 V C 2.490 178.545 176.094 -0.065 0.000 1.036 482 V CA 1.100 63.358 62.300 -0.069 0.000 1.020 482 V CB -0.604 31.181 31.823 -0.064 0.000 0.657 482 V HN 0.431 nan 8.190 nan 0.000 0.453 483 L N -0.321 120.860 121.223 -0.070 0.000 2.362 483 L HA -0.056 4.284 4.340 0.001 0.000 0.219 483 L C 2.273 179.077 176.870 -0.110 0.000 1.134 483 L CA 1.356 56.152 54.840 -0.073 0.000 0.807 483 L CB -0.750 41.267 42.059 -0.070 0.000 0.927 483 L HN 0.245 nan 8.230 nan 0.000 0.447 484 V N 0.121 119.966 119.914 -0.116 0.000 2.273 484 V HA -0.082 4.038 4.120 0.001 0.000 0.242 484 V C 2.499 178.512 176.094 -0.136 0.000 1.035 484 V CA 1.427 63.641 62.300 -0.145 0.000 1.013 484 V CB -0.447 31.297 31.823 -0.132 0.000 0.652 484 V HN 0.432 nan 8.190 nan 0.000 0.452 485 A N -1.167 121.590 122.820 -0.105 0.000 2.248 485 A HA -0.004 4.316 4.320 0.001 0.000 0.210 485 A C 2.005 179.550 177.584 -0.066 0.000 1.174 485 A CA 1.100 53.085 52.037 -0.088 0.000 0.750 485 A CB -0.395 18.559 19.000 -0.076 0.000 0.780 485 A HN 0.528 nan 8.150 nan 0.000 0.478 486 L N -1.960 119.225 121.223 -0.064 0.000 2.408 486 L HA 0.273 4.614 4.340 0.001 0.000 0.215 486 L C 1.932 178.792 176.870 -0.016 0.000 1.081 486 L CA 0.580 55.405 54.840 -0.025 0.000 0.840 486 L CB 0.194 42.249 42.059 -0.007 0.000 1.002 486 L HN 0.387 nan 8.230 nan 0.000 0.468 487 I N -2.363 118.140 120.570 -0.112 0.000 4.033 487 I HA -0.041 4.130 4.170 0.001 0.000 0.296 487 I C 1.539 177.466 176.117 -0.316 0.000 1.210 487 I CA 0.198 61.349 61.300 -0.250 0.000 1.341 487 I CB 0.724 38.417 38.000 -0.512 0.000 1.369 487 I HN 0.052 nan 8.210 nan 0.000 0.453 488 L N -0.070 120.973 121.223 -0.300 0.000 2.269 488 L HA 0.126 4.467 4.340 0.001 0.000 0.200 488 L C 2.196 178.908 176.870 -0.264 0.000 1.069 488 L CA 1.866 56.505 54.840 -0.336 0.000 0.804 488 L CB -0.553 41.266 42.059 -0.399 0.000 0.987 488 L HN 0.036 nan 8.230 nan 0.000 0.468 489 T N 1.983 116.415 114.554 -0.202 0.000 2.580 489 T HA -0.108 4.243 4.350 0.001 0.000 0.265 489 T C -0.717 173.919 174.700 -0.106 0.000 1.063 489 T CA 2.207 64.215 62.100 -0.153 0.000 1.170 489 T CB -1.542 67.254 68.868 -0.121 0.000 0.863 489 T HN 0.353 nan 8.240 nan 0.000 0.418 490 P HA -0.072 nan 4.420 nan 0.000 0.217 490 P C 1.399 178.689 177.300 -0.016 0.000 1.148 490 P CA 1.555 64.636 63.100 -0.031 0.000 0.828 490 P CB -0.250 31.447 31.700 -0.005 0.000 0.783 491 A N 0.180 122.985 122.820 -0.024 0.000 1.902 491 A HA -0.144 4.176 4.320 0.001 0.000 0.217 491 A C 2.435 180.011 177.584 -0.014 0.000 1.181 491 A CA 1.466 53.508 52.037 0.008 0.000 0.623 491 A CB -1.580 17.420 19.000 0.000 0.000 0.818 491 A HN 0.133 nan 8.150 nan 0.000 0.443 492 L N -0.646 120.526 121.223 -0.084 0.000 2.093 492 L HA -0.228 4.112 4.340 0.001 0.000 0.208 492 L C 2.632 179.497 176.870 -0.009 0.000 1.085 492 L CA 1.166 55.977 54.840 -0.049 0.000 0.755 492 L CB -0.859 41.127 42.059 -0.121 0.000 0.904 492 L HN 0.480 nan 8.230 nan 0.000 0.435 493 C N 0.141 119.425 119.300 -0.027 0.000 2.410 493 C HA -0.157 4.303 4.460 0.001 0.000 0.281 493 C C 3.072 178.064 174.990 0.004 0.000 1.318 493 C CA 0.692 59.700 59.018 -0.016 0.000 1.776 493 C CB -1.322 26.404 27.740 -0.023 0.000 1.942 493 C HN 0.604 nan 8.230 nan 0.000 0.508 494 A N 0.409 123.239 122.820 0.017 0.000 1.970 494 A HA -0.046 4.275 4.320 0.001 0.000 0.216 494 A C 2.133 179.742 177.584 0.042 0.000 1.170 494 A CA 2.167 54.222 52.037 0.030 0.000 0.645 494 A CB -0.547 18.479 19.000 0.043 0.000 0.816 494 A HN 0.587 nan 8.150 nan 0.000 0.447 495 T N 0.265 114.854 114.554 0.059 0.000 2.967 495 T HA 0.032 4.383 4.350 0.001 0.000 0.238 495 T C 1.915 176.654 174.700 0.065 0.000 1.024 495 T CA 1.143 63.291 62.100 0.081 0.000 1.234 495 T CB -0.371 68.582 68.868 0.141 0.000 0.931 495 T HN 0.553 nan 8.240 nan 0.000 0.417 496 M N 0.815 120.458 119.600 0.071 0.000 2.561 496 M HA 0.333 4.813 4.480 0.001 0.000 0.238 496 M C 0.164 176.484 176.300 0.034 0.000 1.131 496 M CA 0.229 55.566 55.300 0.060 0.000 1.046 496 M CB -0.517 32.132 32.600 0.081 0.000 1.532 496 M HN 0.063 nan 8.290 nan 0.000 0.497 497 L N 3.282 124.517 121.223 0.020 0.000 2.407 497 L HA 0.282 4.623 4.340 0.001 0.000 0.282 497 L C 0.039 176.910 176.870 0.001 0.000 1.110 497 L CA 0.260 55.101 54.840 0.002 0.000 0.863 497 L CB 0.073 42.127 42.059 -0.007 0.000 1.207 497 L HN 0.210 nan 8.230 nan 0.000 0.454 498 K N 7.462 127.861 120.400 -0.002 0.000 2.368 498 K HA 0.290 4.610 4.320 0.001 0.000 0.282 498 K C -2.141 174.452 176.600 -0.012 0.000 1.035 498 K CA -1.483 54.803 56.287 -0.003 0.000 0.973 498 K CB 0.580 33.079 32.500 -0.002 0.000 0.957 498 K HN 0.448 nan 8.250 nan 0.000 0.474 499 P HA -0.001 nan 4.420 nan 0.000 0.267 499 P C -0.679 176.609 177.300 -0.021 0.000 1.200 499 P CA 0.430 63.522 63.100 -0.014 0.000 0.772 499 P CB 0.560 32.254 31.700 -0.010 0.000 0.855 500 I N 1.098 121.651 120.570 -0.028 0.000 2.499 500 I HA 0.341 4.511 4.170 0.001 0.000 0.288 500 I C 0.356 176.447 176.117 -0.044 0.000 1.048 500 I CA -1.185 60.092 61.300 -0.039 0.000 1.062 500 I CB 2.010 39.980 38.000 -0.050 0.000 1.238 500 I HN 0.344 nan 8.210 nan 0.000 0.426 501 A N 7.084 129.879 122.820 -0.042 0.000 2.587 501 A HA 0.097 4.418 4.320 0.001 0.000 0.233 501 A C 0.317 177.867 177.584 -0.058 0.000 1.049 501 A CA -0.036 51.977 52.037 -0.041 0.000 0.754 501 A CB 0.037 19.018 19.000 -0.033 0.000 0.977 501 A HN 0.617 nan 8.150 nan 0.000 0.509 502 K N 2.378 122.751 120.400 -0.045 0.000 2.361 502 K HA 0.288 4.609 4.320 0.001 0.000 0.283 502 K C 0.537 177.102 176.600 -0.058 0.000 1.078 502 K CA 0.742 57.001 56.287 -0.047 0.000 1.041 502 K CB -1.016 31.467 32.500 -0.028 0.000 0.932 502 K HN 1.984 nan 8.250 nan 0.000 0.462 503 G N 3.118 111.861 108.800 -0.095 0.000 2.531 503 G HA2 -0.238 3.723 3.960 0.001 0.000 0.283 503 G HA3 -0.238 3.723 3.960 0.001 0.000 0.283 503 G C -0.203 174.613 174.900 -0.140 0.000 1.068 503 G CA 0.250 45.282 45.100 -0.114 0.000 1.273 503 G HN 0.746 nan 8.290 nan 0.000 0.532 504 D N -0.086 120.147 120.400 -0.280 0.000 3.061 504 D HA 0.175 4.816 4.640 0.001 0.000 0.243 504 D C 1.769 177.978 176.300 -0.151 0.000 1.572 504 D CA 1.175 55.069 54.000 -0.178 0.000 1.269 504 D CB 0.183 40.910 40.800 -0.123 0.000 1.023 504 D HN 0.519 nan 8.370 nan 0.000 0.280 505 H N -0.995 118.083 119.070 0.013 0.000 4.188 505 H HA -0.145 4.412 4.556 0.001 0.000 0.157 505 H C 1.034 176.371 175.328 0.014 0.000 0.845 505 H CA 1.354 57.412 56.048 0.017 0.000 1.246 505 H CB -1.910 27.874 29.762 0.037 0.000 0.933 505 H HN 0.558 nan 8.280 nan 0.000 0.413 506 G N 1.708 110.560 108.800 0.087 0.000 2.372 506 G HA2 -0.299 3.662 3.960 0.001 0.000 0.297 506 G HA3 -0.299 3.662 3.960 0.001 0.000 0.297 506 G C -0.143 174.806 174.900 0.082 0.000 1.005 506 G CA 0.901 46.041 45.100 0.066 0.000 1.173 506 G HN 0.656 nan 8.290 nan 0.000 0.511 507 E N -0.474 119.771 120.200 0.076 0.000 2.299 507 E HA 0.425 4.775 4.350 0.001 0.000 0.272 507 E C 1.557 178.149 176.600 -0.015 0.000 1.043 507 E CA 0.808 57.232 56.400 0.041 0.000 0.895 507 E CB 0.399 30.117 29.700 0.031 0.000 1.011 507 E HN 1.208 nan 8.360 nan 0.000 0.432 508 G N 4.406 113.178 108.800 -0.047 0.000 2.412 508 G HA2 -0.424 3.537 3.960 0.001 0.000 0.252 508 G HA3 -0.424 3.537 3.960 0.001 0.000 0.252 508 G C 0.830 175.714 174.900 -0.027 0.000 1.038 508 G CA 0.541 45.549 45.100 -0.153 0.000 0.628 508 G HN 0.525 nan 8.290 nan 0.000 0.531 509 K N 0.509 120.928 120.400 0.031 0.000 3.000 509 K HA 0.217 4.538 4.320 0.001 0.000 0.265 509 K C 1.037 177.712 176.600 0.126 0.000 1.260 509 K CA 0.308 56.637 56.287 0.069 0.000 1.209 509 K CB -0.171 32.358 32.500 0.048 0.000 1.484 509 K HN 0.257 nan 8.250 nan 0.000 0.283 510 K N -1.390 119.126 120.400 0.194 0.000 2.864 510 K HA 0.100 4.421 4.320 0.001 0.000 0.192 510 K C 1.058 177.867 176.600 0.349 0.000 1.576 510 K CA 0.940 57.385 56.287 0.263 0.000 1.283 510 K CB 0.704 33.392 32.500 0.313 0.000 1.778 510 K HN 0.399 nan 8.250 nan 0.000 0.611 511 G N 1.343 110.414 108.800 0.451 0.000 2.900 511 G HA2 -0.381 3.579 3.960 0.001 0.000 0.223 511 G HA3 -0.381 3.579 3.960 0.001 0.000 0.223 511 G C 1.184 176.296 174.900 0.354 0.000 1.293 511 G CA 0.629 46.034 45.100 0.508 0.000 0.792 511 G HN 0.179 nan 8.290 nan 0.000 0.527 512 F N 0.144 120.170 119.950 0.127 0.000 2.009 512 F HA 0.345 4.873 4.527 0.000 0.000 0.293 512 F C 2.433 178.118 175.800 -0.192 0.000 1.156 512 F CA 2.211 60.142 58.000 -0.115 0.000 1.168 512 F CB -0.316 38.578 39.000 -0.177 0.000 0.981 512 F HN 0.165 nan 8.300 nan 0.000 0.475 513 F N -0.930 119.197 119.950 0.295 0.000 2.749 513 F HA 0.224 4.752 4.527 0.001 0.000 0.300 513 F C 2.168 178.161 175.800 0.321 0.000 1.103 513 F CA 0.408 58.506 58.000 0.164 0.000 1.342 513 F CB -0.631 38.381 39.000 0.020 0.000 1.098 513 F HN -0.036 nan 8.300 nan 0.000 0.586 514 G N -0.429 108.649 108.800 0.464 0.000 2.403 514 G HA2 -0.233 3.728 3.960 0.001 0.000 0.216 514 G HA3 -0.233 3.728 3.960 0.001 0.000 0.216 514 G C 0.967 176.026 174.900 0.266 0.000 1.154 514 G CA 0.264 45.545 45.100 0.301 0.000 0.784 514 G HN 0.372 nan 8.290 nan 0.000 0.538 515 W N -0.390 121.043 121.300 0.222 0.000 2.825 515 W HA 0.333 4.993 4.660 0.001 0.000 0.243 515 W C 1.624 178.238 176.519 0.157 0.000 1.293 515 W CA -0.420 57.016 57.345 0.152 0.000 1.403 515 W CB -0.274 29.245 29.460 0.099 0.000 1.134 515 W HN 0.109 nan 8.180 nan 0.000 0.666 516 F N -0.166 119.938 119.950 0.258 0.000 2.530 516 F HA 0.012 4.539 4.527 0.000 0.000 0.292 516 F C 1.972 177.857 175.800 0.141 0.000 1.109 516 F CA 0.806 58.924 58.000 0.196 0.000 1.450 516 F CB -0.378 38.782 39.000 0.267 0.000 1.114 516 F HN -0.192 nan 8.300 nan 0.000 0.560 517 N N -0.076 118.805 118.700 0.302 0.000 2.395 517 N HA 0.008 4.749 4.740 0.001 0.000 0.175 517 N C 1.803 177.402 175.510 0.149 0.000 1.029 517 N CA 0.462 53.619 53.050 0.179 0.000 0.897 517 N CB -0.141 38.433 38.487 0.145 0.000 0.991 517 N HN 0.238 nan 8.380 nan 0.000 0.441 518 R N 0.670 121.235 120.500 0.108 0.000 2.120 518 R HA 0.089 4.430 4.340 0.001 0.000 0.234 518 R C 1.875 178.216 176.300 0.068 0.000 1.123 518 R CA 0.921 57.049 56.100 0.046 0.000 0.975 518 R CB -0.112 30.169 30.300 -0.031 0.000 0.866 518 R HN 0.233 nan 8.270 nan 0.000 0.446 519 M N -0.829 118.826 119.600 0.092 0.000 2.549 519 M HA -0.054 4.427 4.480 0.001 0.000 0.260 519 M C 1.330 177.700 176.300 0.117 0.000 1.076 519 M CA 1.331 56.678 55.300 0.078 0.000 1.090 519 M CB -0.284 32.337 32.600 0.035 0.000 1.418 519 M HN 0.123 nan 8.290 nan 0.000 0.486 520 F N 1.292 121.238 119.950 -0.006 0.000 2.484 520 F HA 0.068 4.596 4.527 0.001 0.000 0.268 520 F C 2.387 178.182 175.800 -0.007 0.000 0.965 520 F CA 0.695 58.689 58.000 -0.011 0.000 1.119 520 F CB -0.023 38.950 39.000 -0.044 0.000 1.153 520 F HN -0.037 nan 8.300 nan 0.000 0.689 521 E N 1.164 121.548 120.200 0.307 0.000 2.147 521 E HA -0.232 4.119 4.350 0.001 0.000 0.199 521 E C 1.901 178.503 176.600 0.003 0.000 1.005 521 E CA 1.883 58.361 56.400 0.130 0.000 0.810 521 E CB -0.209 29.498 29.700 0.011 0.000 0.736 521 E HN 0.387 nan 8.360 nan 0.000 0.460 522 K N -0.434 119.964 120.400 -0.002 0.000 2.062 522 K HA -0.044 4.277 4.320 0.001 0.000 0.205 522 K C 2.307 178.895 176.600 -0.019 0.000 1.051 522 K CA 1.293 57.553 56.287 -0.045 0.000 0.941 522 K CB -0.173 32.298 32.500 -0.048 0.000 0.719 522 K HN 0.225 nan 8.250 nan 0.000 0.440 523 S N 0.270 115.974 115.700 0.008 0.000 2.447 523 S HA -0.113 4.357 4.470 0.001 0.000 0.233 523 S C 2.039 176.634 174.600 -0.008 0.000 1.006 523 S CA 1.546 59.778 58.200 0.053 0.000 0.957 523 S CB -0.297 62.903 63.200 0.000 0.000 0.773 523 S HN 0.162 nan 8.310 nan 0.000 0.507 524 T N 0.570 115.037 114.554 -0.145 0.000 3.023 524 T HA -0.033 4.317 4.350 0.001 0.000 0.266 524 T C 1.557 176.300 174.700 0.072 0.000 1.093 524 T CA 1.297 63.325 62.100 -0.120 0.000 1.129 524 T CB -0.494 68.201 68.868 -0.288 0.000 0.899 524 T HN 0.786 nan 8.240 nan 0.000 0.491 525 H N -0.463 118.578 119.070 -0.047 0.000 2.357 525 H HA 0.003 4.559 4.556 0.001 0.000 0.301 525 H C 2.080 177.389 175.328 -0.032 0.000 1.082 525 H CA 2.046 58.055 56.048 -0.065 0.000 1.342 525 H CB -0.214 29.454 29.762 -0.157 0.000 1.389 525 H HN 0.563 nan 8.280 nan 0.000 0.511 526 H N -1.686 117.444 119.070 0.101 0.000 2.387 526 H HA -0.162 4.395 4.556 0.001 0.000 0.299 526 H C 1.780 177.106 175.328 -0.003 0.000 1.090 526 H CA 1.240 57.311 56.048 0.038 0.000 1.332 526 H CB -0.103 29.698 29.762 0.066 0.000 1.386 526 H HN 0.441 nan 8.280 nan 0.000 0.516 527 Y N 0.814 121.143 120.300 0.048 0.000 2.070 527 Y HA -0.310 4.240 4.550 0.001 0.000 0.280 527 Y C 2.849 178.733 175.900 -0.027 0.000 1.148 527 Y CA 2.069 60.184 58.100 0.024 0.000 1.125 527 Y CB -0.821 37.636 38.460 -0.005 0.000 0.975 527 Y HN 0.066 nan 8.280 nan 0.000 0.492 528 T N -0.489 113.972 114.554 -0.155 0.000 2.821 528 T HA -0.166 4.185 4.350 0.001 0.000 0.267 528 T C 1.571 176.091 174.700 -0.301 0.000 1.046 528 T CA 1.829 63.754 62.100 -0.292 0.000 1.139 528 T CB -0.568 68.238 68.868 -0.103 0.000 0.871 528 T HN 0.455 nan 8.240 nan 0.000 0.454 529 D N 0.815 121.038 120.400 -0.296 0.000 2.221 529 D HA -0.068 4.572 4.640 0.001 0.000 0.204 529 D C 2.397 178.581 176.300 -0.193 0.000 0.982 529 D CA 1.592 55.449 54.000 -0.239 0.000 0.857 529 D CB -0.237 40.436 40.800 -0.210 0.000 0.934 529 D HN 0.638 nan 8.370 nan 0.000 0.475 530 S N -0.874 114.691 115.700 -0.225 0.000 2.486 530 S HA 0.007 4.477 4.470 0.001 0.000 0.220 530 S C 1.946 176.326 174.600 -0.368 0.000 1.011 530 S CA 0.002 58.048 58.200 -0.256 0.000 0.921 530 S CB 0.037 63.101 63.200 -0.227 0.000 0.785 530 S HN 0.059 nan 8.310 nan 0.000 0.517 531 V N 2.012 121.663 119.914 -0.439 0.000 3.041 531 V HA 0.141 4.262 4.120 0.001 0.000 0.260 531 V C 2.545 178.458 176.094 -0.303 0.000 1.105 531 V CA 1.357 63.394 62.300 -0.437 0.000 1.125 531 V CB -1.176 30.322 31.823 -0.541 0.000 0.730 531 V HN 0.643 nan 8.190 nan 0.000 0.479 532 G N 0.337 108.987 108.800 -0.250 0.000 2.572 532 G HA2 0.012 3.973 3.960 0.001 0.000 0.216 532 G HA3 0.012 3.973 3.960 0.001 0.000 0.216 532 G C 1.466 176.264 174.900 -0.170 0.000 1.133 532 G CA 0.727 45.722 45.100 -0.175 0.000 0.791 532 G HN 0.567 nan 8.290 nan 0.000 0.538 533 G N 1.214 109.887 108.800 -0.211 0.000 2.539 533 G HA2 0.074 4.035 3.960 0.001 0.000 0.215 533 G HA3 0.074 4.035 3.960 0.001 0.000 0.215 533 G C 1.685 176.457 174.900 -0.214 0.000 1.141 533 G CA 0.876 45.868 45.100 -0.180 0.000 0.806 533 G HN 0.494 nan 8.290 nan 0.000 0.533 534 I N -0.944 119.405 120.570 -0.368 0.000 2.406 534 I HA 0.143 4.313 4.170 0.001 0.000 0.249 534 I C 2.293 178.237 176.117 -0.289 0.000 1.122 534 I CA 0.898 61.882 61.300 -0.527 0.000 1.431 534 I CB -0.448 36.959 38.000 -0.988 0.000 1.087 534 I HN -0.036 nan 8.210 nan 0.000 0.424 535 L N 0.233 121.320 121.223 -0.227 0.000 2.456 535 L HA -0.001 4.340 4.340 0.001 0.000 0.224 535 L C 2.691 179.515 176.870 -0.077 0.000 1.148 535 L CA 0.867 55.627 54.840 -0.133 0.000 0.825 535 L CB -0.439 41.554 42.059 -0.110 0.000 0.937 535 L HN 0.241 nan 8.230 nan 0.000 0.450 536 R N -0.122 120.333 120.500 -0.075 0.000 2.052 536 R HA -0.028 4.312 4.340 0.001 0.000 0.226 536 R C 1.425 177.715 176.300 -0.016 0.000 1.145 536 R CA 1.346 57.422 56.100 -0.040 0.000 0.952 536 R CB -0.386 29.891 30.300 -0.039 0.000 0.847 536 R HN 0.287 nan 8.270 nan 0.000 0.431 537 S N 1.192 116.891 115.700 -0.001 0.000 4.069 537 S HA 0.087 4.558 4.470 0.001 0.000 0.192 537 S C 0.680 175.329 174.600 0.082 0.000 1.441 537 S CA -0.411 57.820 58.200 0.052 0.000 0.994 537 S CB 0.442 63.702 63.200 0.100 0.000 1.456 537 S HN 0.142 nan 8.310 nan 0.000 0.458 538 T N 1.192 115.766 114.554 0.032 0.000 2.915 538 T HA -0.005 4.346 4.350 0.001 0.000 0.269 538 T C 2.018 176.759 174.700 0.068 0.000 1.071 538 T CA 1.282 63.396 62.100 0.024 0.000 1.132 538 T CB -0.478 68.397 68.868 0.011 0.000 0.878 538 T HN 0.661 nan 8.240 nan 0.000 0.479 539 G N 1.299 110.141 108.800 0.069 0.000 2.404 539 G HA2 -0.155 3.805 3.960 0.001 0.000 0.214 539 G HA3 -0.155 3.805 3.960 0.001 0.000 0.214 539 G C 1.584 176.534 174.900 0.084 0.000 1.189 539 G CA 0.111 45.255 45.100 0.072 0.000 0.789 539 G HN 0.349 nan 8.290 nan 0.000 0.533 540 R N -0.902 119.633 120.500 0.057 0.000 2.159 540 R HA -0.083 4.257 4.340 0.001 0.000 0.237 540 R C 2.103 178.340 176.300 -0.106 0.000 1.131 540 R CA 1.127 57.203 56.100 -0.040 0.000 0.982 540 R CB -0.224 30.005 30.300 -0.118 0.000 0.868 540 R HN 0.529 nan 8.270 nan 0.000 0.453 541 Y N -0.659 119.630 120.300 -0.017 0.000 2.397 541 Y HA -0.087 4.464 4.550 0.001 0.000 0.292 541 Y C 1.947 177.942 175.900 0.159 0.000 1.115 541 Y CA 0.411 58.506 58.100 -0.007 0.000 1.208 541 Y CB -0.166 38.141 38.460 -0.256 0.000 1.046 541 Y HN 0.008 nan 8.280 nan 0.000 0.552 542 L N -0.591 120.790 121.223 0.263 0.000 2.081 542 L HA -0.200 4.141 4.340 0.001 0.000 0.212 542 L C 1.946 179.010 176.870 0.324 0.000 1.080 542 L CA 1.434 56.447 54.840 0.288 0.000 0.754 542 L CB -0.431 41.742 42.059 0.191 0.000 0.893 542 L HN 0.031 nan 8.230 nan 0.000 0.433 543 V N -0.871 119.166 119.914 0.205 0.000 2.871 543 V HA -0.184 3.936 4.120 0.001 0.000 0.256 543 V C 2.240 178.422 176.094 0.147 0.000 1.082 543 V CA 1.227 63.617 62.300 0.150 0.000 1.105 543 V CB -0.137 31.730 31.823 0.074 0.000 0.713 543 V HN 0.417 nan 8.190 nan 0.000 0.473 544 L N -0.771 120.563 121.223 0.185 0.000 2.141 544 L HA -0.159 4.181 4.340 0.001 0.000 0.209 544 L C 2.289 179.309 176.870 0.250 0.000 1.094 544 L CA 1.835 56.791 54.840 0.194 0.000 0.763 544 L CB -0.434 41.769 42.059 0.239 0.000 0.908 544 L HN 0.498 nan 8.230 nan 0.000 0.437 545 Y N -0.665 119.779 120.300 0.241 0.000 2.133 545 Y HA -0.253 4.298 4.550 0.001 0.000 0.287 545 Y C 2.223 178.182 175.900 0.098 0.000 1.134 545 Y CA 1.806 60.006 58.100 0.166 0.000 1.133 545 Y CB -0.285 38.358 38.460 0.305 0.000 0.987 545 Y HN 0.070 nan 8.280 nan 0.000 0.502 546 L N 0.116 121.337 121.223 -0.004 0.000 2.079 546 L HA -0.262 4.078 4.340 0.001 0.000 0.210 546 L C 2.408 179.193 176.870 -0.141 0.000 1.081 546 L CA 1.509 56.262 54.840 -0.145 0.000 0.752 546 L CB -0.475 41.612 42.059 0.048 0.000 0.896 546 L HN 0.382 nan 8.230 nan 0.000 0.433 547 I N -0.668 119.866 120.570 -0.059 0.000 2.163 547 I HA -0.364 3.807 4.170 0.001 0.000 0.243 547 I C 2.308 178.377 176.117 -0.081 0.000 1.085 547 I CA 1.591 62.861 61.300 -0.049 0.000 1.347 547 I CB -0.221 37.773 38.000 -0.010 0.000 1.044 547 I HN 0.173 nan 8.210 nan 0.000 0.408 548 I N -0.172 120.331 120.570 -0.112 0.000 2.194 548 I HA -0.306 3.865 4.170 0.001 0.000 0.246 548 I C 2.413 178.431 176.117 -0.166 0.000 1.093 548 I CA 1.357 62.578 61.300 -0.131 0.000 1.355 548 I CB -0.369 37.531 38.000 -0.166 0.000 1.046 548 I HN 0.024 nan 8.210 nan 0.000 0.413 549 V N 0.061 119.804 119.914 -0.285 0.000 2.261 549 V HA -0.240 3.881 4.120 0.001 0.000 0.246 549 V C 2.414 178.448 176.094 -0.099 0.000 1.047 549 V CA 1.772 63.930 62.300 -0.237 0.000 1.015 549 V CB -0.629 30.987 31.823 -0.345 0.000 0.642 549 V HN 0.247 nan 8.190 nan 0.000 0.446 550 V N 1.255 121.120 119.914 -0.080 0.000 2.287 550 V HA -0.218 3.903 4.120 0.001 0.000 0.248 550 V C 2.708 178.820 176.094 0.029 0.000 1.053 550 V CA 2.291 64.579 62.300 -0.020 0.000 1.027 550 V CB -1.789 30.014 31.823 -0.034 0.000 0.646 550 V HN 0.593 nan 8.190 nan 0.000 0.447 551 G N -0.581 108.222 108.800 0.006 0.000 2.529 551 G HA2 -0.391 3.569 3.960 0.001 0.000 0.219 551 G HA3 -0.391 3.569 3.960 0.001 0.000 0.219 551 G C 1.635 176.598 174.900 0.105 0.000 1.177 551 G CA 1.484 46.618 45.100 0.056 0.000 0.773 551 G HN 0.420 nan 8.290 nan 0.000 0.573 552 M N 0.891 120.515 119.600 0.039 0.000 2.073 552 M HA -0.122 4.358 4.480 0.001 0.000 0.258 552 M C 2.838 179.204 176.300 0.111 0.000 1.070 552 M CA 2.230 57.558 55.300 0.047 0.000 1.103 552 M CB -0.377 32.214 32.600 -0.016 0.000 1.321 552 M HN 0.304 nan 8.290 nan 0.000 0.405 553 A N -0.568 122.317 122.820 0.108 0.000 1.883 553 A HA -0.264 4.056 4.320 0.001 0.000 0.217 553 A C 1.964 179.665 177.584 0.196 0.000 1.186 553 A CA 1.862 54.001 52.037 0.169 0.000 0.624 553 A CB -1.481 17.590 19.000 0.118 0.000 0.822 553 A HN 0.752 nan 8.150 nan 0.000 0.444 554 Y N 0.264 120.594 120.300 0.049 0.000 2.114 554 Y HA -0.225 4.326 4.550 0.001 0.000 0.282 554 Y C 2.033 177.956 175.900 0.038 0.000 1.165 554 Y CA 1.950 60.067 58.100 0.029 0.000 1.148 554 Y CB -0.385 38.083 38.460 0.013 0.000 0.972 554 Y HN 0.238 nan 8.280 nan 0.000 0.504 555 L N -1.478 119.774 121.223 0.049 0.000 2.046 555 L HA -0.219 4.121 4.340 0.001 0.000 0.208 555 L C 2.313 179.197 176.870 0.023 0.000 1.077 555 L CA 1.320 56.149 54.840 -0.019 0.000 0.747 555 L CB -0.621 41.476 42.059 0.063 0.000 0.896 555 L HN 0.303 nan 8.230 nan 0.000 0.432 556 F N 0.033 119.950 119.950 -0.054 0.000 2.269 556 F HA -0.144 4.384 4.527 0.001 0.000 0.301 556 F C 1.862 177.619 175.800 -0.072 0.000 1.082 556 F CA 1.244 59.220 58.000 -0.039 0.000 1.360 556 F CB -0.129 38.859 39.000 -0.020 0.000 1.041 556 F HN -0.175 nan 8.300 nan 0.000 0.512 557 V N 0.140 119.901 119.914 -0.255 0.000 3.650 557 V HA 0.064 4.185 4.120 0.001 0.000 0.271 557 V C 2.136 178.050 176.094 -0.300 0.000 1.281 557 V CA 0.437 62.524 62.300 -0.356 0.000 1.120 557 V CB -0.498 31.186 31.823 -0.233 0.000 0.856 557 V HN 0.148 nan 8.190 nan 0.000 0.443 558 R N 0.071 120.394 120.500 -0.295 0.000 2.140 558 R HA 0.255 4.595 4.340 0.001 0.000 0.213 558 R C 0.874 177.065 176.300 -0.181 0.000 1.059 558 R CA 0.204 56.147 56.100 -0.262 0.000 1.000 558 R CB -0.056 30.050 30.300 -0.323 0.000 0.910 558 R HN 0.371 nan 8.270 nan 0.000 0.455 559 L N 3.424 124.546 121.223 -0.167 0.000 2.456 559 L HA 0.087 4.427 4.340 0.001 0.000 0.272 559 L C -1.828 174.960 176.870 -0.137 0.000 1.189 559 L CA -1.407 53.351 54.840 -0.137 0.000 0.846 559 L CB 0.229 42.209 42.059 -0.132 0.000 1.111 559 L HN -0.040 nan 8.230 nan 0.000 0.475 560 P HA 0.232 nan 4.420 nan 0.000 0.280 560 P C -1.152 176.121 177.300 -0.045 0.000 1.272 560 P CA -0.653 62.405 63.100 -0.071 0.000 0.819 560 P CB 0.959 32.630 31.700 -0.048 0.000 1.122 561 S N 0.325 116.014 115.700 -0.018 0.000 2.404 561 S HA 0.416 4.887 4.470 0.001 0.000 0.309 561 S C 0.062 174.700 174.600 0.062 0.000 1.076 561 S CA -0.148 58.067 58.200 0.025 0.000 1.095 561 S CB -0.263 62.951 63.200 0.024 0.000 0.972 561 S HN 0.317 nan 8.310 nan 0.000 0.484 562 S N 1.574 117.326 115.700 0.086 0.000 2.747 562 S HA 0.664 5.135 4.470 0.001 0.000 0.300 562 S C 0.023 174.747 174.600 0.206 0.000 1.121 562 S CA -0.585 57.692 58.200 0.129 0.000 0.995 562 S CB 1.036 64.294 63.200 0.096 0.000 1.113 562 S HN 0.689 nan 8.310 nan 0.000 0.547 563 F N 0.644 120.631 119.950 0.061 0.000 2.480 563 F HA 0.623 5.151 4.527 0.001 0.000 0.258 563 F C -0.608 175.215 175.800 0.040 0.000 0.941 563 F CA 0.056 58.085 58.000 0.048 0.000 1.085 563 F CB 0.050 39.072 39.000 0.037 0.000 1.222 563 F HN 0.399 nan 8.300 nan 0.000 0.724 564 L N 1.767 122.864 121.223 -0.210 0.000 2.482 564 L HA 0.507 4.847 4.340 0.001 0.000 0.269 564 L C -2.672 174.283 176.870 0.142 0.000 0.967 564 L CA -1.728 52.995 54.840 -0.196 0.000 0.851 564 L CB 1.588 43.371 42.059 -0.461 0.000 1.242 564 L HN 0.004 nan 8.230 nan 0.000 0.404 565 P HA 0.182 nan 4.420 nan 0.000 0.271 565 P C -1.313 176.095 177.300 0.180 0.000 1.216 565 P CA -0.327 62.875 63.100 0.170 0.000 0.776 565 P CB 0.386 32.171 31.700 0.142 0.000 0.881 566 D N 1.677 122.166 120.400 0.149 0.000 2.458 566 D HA 0.060 4.701 4.640 0.001 0.000 0.243 566 D C 0.388 176.772 176.300 0.140 0.000 1.146 566 D CA 0.360 54.444 54.000 0.141 0.000 0.877 566 D CB 0.309 41.175 40.800 0.111 0.000 1.176 566 D HN 0.289 nan 8.370 nan 0.000 0.461 567 E N 1.264 121.556 120.200 0.154 0.000 2.232 567 E HA 0.163 4.513 4.350 0.001 0.000 0.265 567 E C -0.361 176.308 176.600 0.115 0.000 1.001 567 E CA -0.706 55.796 56.400 0.169 0.000 0.870 567 E CB 1.233 31.080 29.700 0.245 0.000 1.175 567 E HN 0.452 nan 8.360 nan 0.000 0.407 568 D N 0.890 121.384 120.400 0.157 0.000 2.308 568 D HA 0.019 4.660 4.640 0.001 0.000 0.251 568 D C -0.040 176.340 176.300 0.134 0.000 1.127 568 D CA 0.187 54.240 54.000 0.089 0.000 0.876 568 D CB 1.008 41.865 40.800 0.095 0.000 1.176 568 D HN 0.307 nan 8.370 nan 0.000 0.446 569 Q N 1.939 121.695 119.800 -0.074 0.000 2.245 569 Q HA 0.220 4.560 4.340 0.001 0.000 0.236 569 Q C 1.188 177.086 176.000 -0.170 0.000 0.842 569 Q CA 0.272 55.980 55.803 -0.159 0.000 0.945 569 Q CB 1.062 29.593 28.738 -0.344 0.000 1.122 569 Q HN 0.825 nan 8.270 nan 0.000 0.506 570 G N 0.825 109.375 108.800 -0.415 0.000 2.225 570 G HA2 -0.243 3.717 3.960 0.001 0.000 0.254 570 G HA3 -0.243 3.717 3.960 0.001 0.000 0.254 570 G C 0.091 174.880 174.900 -0.185 0.000 0.988 570 G CA 0.323 45.141 45.100 -0.470 0.000 0.625 570 G HN 0.208 nan 8.290 nan 0.000 0.527 571 V N 1.523 121.352 119.914 -0.142 0.000 2.488 571 V HA 0.709 4.830 4.120 0.001 0.000 0.293 571 V C -0.209 175.826 176.094 -0.098 0.000 1.027 571 V CA -0.284 61.895 62.300 -0.201 0.000 0.862 571 V CB 1.056 32.629 31.823 -0.417 0.000 1.008 571 V HN 0.857 nan 8.190 nan 0.000 0.428 572 F N 3.844 123.676 119.950 -0.196 0.000 2.691 572 F HA 0.990 5.517 4.527 0.001 0.000 0.334 572 F C -0.690 175.115 175.800 0.008 0.000 1.107 572 F CA -1.344 56.612 58.000 -0.073 0.000 0.991 572 F CB 2.151 41.145 39.000 -0.010 0.000 1.400 572 F HN 0.433 nan 8.300 nan 0.000 0.503 573 M N 0.610 120.194 119.600 -0.027 0.000 2.622 573 M HA 0.664 5.145 4.480 0.001 0.000 0.276 573 M C -1.258 174.991 176.300 -0.086 0.000 1.265 573 M CA -0.756 54.479 55.300 -0.108 0.000 0.850 573 M CB 2.097 34.846 32.600 0.248 0.000 1.720 573 M HN 0.748 nan 8.290 nan 0.000 0.465 574 T N 1.717 116.180 114.554 -0.151 0.000 2.916 574 T HA 0.819 5.169 4.350 0.001 0.000 0.298 574 T C -1.284 173.271 174.700 -0.242 0.000 1.031 574 T CA -0.840 61.132 62.100 -0.214 0.000 0.993 574 T CB 1.339 70.270 68.868 0.105 0.000 1.045 574 T HN 0.830 nan 8.240 nan 0.000 0.454 575 M N 3.004 122.382 119.600 -0.370 0.000 2.508 575 M HA 0.867 5.347 4.480 0.001 0.000 0.327 575 M C -1.459 174.666 176.300 -0.292 0.000 1.160 575 M CA -0.932 54.208 55.300 -0.267 0.000 0.980 575 M CB 2.053 34.538 32.600 -0.192 0.000 1.693 575 M HN 0.220 nan 8.290 nan 0.000 0.452 576 V N 2.122 121.910 119.914 -0.209 0.000 2.407 576 V HA 0.514 4.634 4.120 0.001 0.000 0.291 576 V C -0.750 175.254 176.094 -0.150 0.000 1.018 576 V CA -0.285 61.895 62.300 -0.200 0.000 0.842 576 V CB 1.508 33.227 31.823 -0.174 0.000 0.996 576 V HN 0.943 nan 8.190 nan 0.000 0.426 577 Q N 3.607 123.318 119.800 -0.149 0.000 2.394 577 Q HA 0.844 5.184 4.340 0.001 0.000 0.273 577 Q C -1.639 174.325 176.000 -0.061 0.000 1.089 577 Q CA -0.299 55.450 55.803 -0.090 0.000 0.812 577 Q CB 2.375 31.065 28.738 -0.081 0.000 1.353 577 Q HN 0.699 nan 8.270 nan 0.000 0.438 578 L N 2.714 123.914 121.223 -0.038 0.000 2.376 578 L HA 0.636 4.977 4.340 0.001 0.000 0.258 578 L C -2.199 174.663 176.870 -0.014 0.000 1.013 578 L CA -2.176 52.647 54.840 -0.029 0.000 0.822 578 L CB 2.464 44.502 42.059 -0.034 0.000 1.388 578 L HN 0.614 nan 8.230 nan 0.000 0.413 579 P HA -0.000 nan 4.420 nan 0.000 0.248 579 P C -0.316 176.976 177.300 -0.014 0.000 1.254 579 P CA -0.024 63.070 63.100 -0.010 0.000 1.252 579 P CB -0.191 31.499 31.700 -0.016 0.000 1.465 580 A N 3.298 126.115 122.820 -0.005 0.000 2.624 580 A HA 0.287 4.608 4.320 0.001 0.000 0.231 580 A C 1.648 179.226 177.584 -0.010 0.000 1.034 580 A CA 0.843 52.878 52.037 -0.002 0.000 0.754 580 A CB -0.994 18.012 19.000 0.010 0.000 0.953 580 A HN 0.840 nan 8.150 nan 0.000 0.509 581 G N 0.156 108.954 108.800 -0.004 0.000 2.147 581 G HA2 0.181 4.141 3.960 0.001 0.000 0.244 581 G HA3 0.181 4.141 3.960 0.001 0.000 0.244 581 G C 0.464 175.354 174.900 -0.016 0.000 1.005 581 G CA 0.656 45.753 45.100 -0.005 0.000 0.713 581 G HN 2.278 nan 8.290 nan 0.000 0.515 582 A N 0.008 122.817 122.820 -0.018 0.000 2.293 582 A HA 0.862 5.183 4.320 0.001 0.000 0.302 582 A C 0.956 178.532 177.584 -0.014 0.000 1.119 582 A CA 0.810 52.833 52.037 -0.022 0.000 0.823 582 A CB 0.534 19.518 19.000 -0.027 0.000 1.097 582 A HN 1.857 nan 8.150 nan 0.000 0.491 583 T N -0.673 113.872 114.554 -0.016 0.000 2.900 583 T HA 0.084 4.434 4.350 0.001 0.000 0.307 583 T C 1.069 175.764 174.700 -0.008 0.000 1.065 583 T CA 0.560 62.654 62.100 -0.009 0.000 1.105 583 T CB 0.690 69.549 68.868 -0.013 0.000 0.979 583 T HN 0.778 nan 8.240 nan 0.000 0.544 584 Q N 0.742 120.544 119.800 0.003 0.000 2.197 584 Q HA -0.294 4.047 4.340 0.001 0.000 0.211 584 Q C 1.934 177.930 176.000 -0.006 0.000 0.993 584 Q CA 2.373 58.181 55.803 0.008 0.000 0.883 584 Q CB -0.164 28.590 28.738 0.028 0.000 0.916 584 Q HN 0.964 nan 8.270 nan 0.000 0.418 585 E N -0.123 120.071 120.200 -0.010 0.000 2.072 585 E HA -0.160 4.190 4.350 0.001 0.000 0.190 585 E C 2.014 178.597 176.600 -0.027 0.000 0.982 585 E CA 0.431 56.820 56.400 -0.018 0.000 0.803 585 E CB 0.071 29.760 29.700 -0.019 0.000 0.755 585 E HN 0.386 nan 8.360 nan 0.000 0.453 586 R N 0.035 120.518 120.500 -0.028 0.000 2.127 586 R HA -0.084 4.256 4.340 0.001 0.000 0.238 586 R C 2.301 178.576 176.300 -0.043 0.000 1.134 586 R CA 1.661 57.741 56.100 -0.035 0.000 0.975 586 R CB -0.526 29.755 30.300 -0.032 0.000 0.865 586 R HN 0.222 nan 8.270 nan 0.000 0.447 587 T N 0.962 115.492 114.554 -0.040 0.000 2.821 587 T HA -0.154 4.196 4.350 0.001 0.000 0.267 587 T C 1.770 176.433 174.700 -0.061 0.000 1.046 587 T CA 1.210 63.280 62.100 -0.051 0.000 1.139 587 T CB -0.126 68.719 68.868 -0.038 0.000 0.871 587 T HN 0.134 nan 8.240 nan 0.000 0.454 588 Q N 1.390 121.160 119.800 -0.050 0.000 2.167 588 Q HA -0.005 4.336 4.340 0.001 0.000 0.202 588 Q C 2.205 178.170 176.000 -0.059 0.000 0.970 588 Q CA 1.284 57.055 55.803 -0.054 0.000 0.855 588 Q CB -0.245 28.469 28.738 -0.039 0.000 0.911 588 Q HN 0.236 nan 8.270 nan 0.000 0.438 589 K N -0.372 119.994 120.400 -0.057 0.000 2.209 589 K HA -0.085 4.235 4.320 0.001 0.000 0.204 589 K C 1.570 178.121 176.600 -0.081 0.000 1.048 589 K CA 1.164 57.414 56.287 -0.062 0.000 0.940 589 K CB 0.049 32.515 32.500 -0.056 0.000 0.729 589 K HN 0.212 nan 8.250 nan 0.000 0.451 590 V N 1.564 121.421 119.914 -0.094 0.000 2.273 590 V HA -0.216 3.904 4.120 0.001 0.000 0.242 590 V C 2.529 178.533 176.094 -0.149 0.000 1.035 590 V CA 1.240 63.460 62.300 -0.132 0.000 1.013 590 V CB -0.545 31.194 31.823 -0.139 0.000 0.652 590 V HN 0.208 nan 8.190 nan 0.000 0.452 591 L N 0.517 121.664 121.223 -0.127 0.000 2.089 591 L HA -0.258 4.083 4.340 0.001 0.000 0.213 591 L C 2.467 179.294 176.870 -0.072 0.000 1.079 591 L CA 1.962 56.733 54.840 -0.115 0.000 0.758 591 L CB -0.957 41.033 42.059 -0.115 0.000 0.891 591 L HN 0.422 nan 8.230 nan 0.000 0.433 592 N N -0.003 118.662 118.700 -0.060 0.000 2.104 592 N HA -0.182 4.558 4.740 0.001 0.000 0.190 592 N C 1.752 177.265 175.510 0.004 0.000 1.024 592 N CA 1.186 54.221 53.050 -0.024 0.000 0.853 592 N CB -0.146 38.319 38.487 -0.037 0.000 1.008 592 N HN 0.358 nan 8.380 nan 0.000 0.424 593 E N -0.089 120.084 120.200 -0.045 0.000 2.110 593 E HA -0.107 4.244 4.350 0.001 0.000 0.193 593 E C 1.766 178.400 176.600 0.057 0.000 0.988 593 E CA 0.760 57.144 56.400 -0.027 0.000 0.804 593 E CB 0.028 29.676 29.700 -0.088 0.000 0.745 593 E HN 0.146 nan 8.360 nan 0.000 0.458 594 V N 1.141 121.018 119.914 -0.061 0.000 2.231 594 V HA -0.217 3.904 4.120 0.001 0.000 0.240 594 V C 2.350 178.567 176.094 0.206 0.000 1.039 594 V CA 2.199 64.472 62.300 -0.044 0.000 0.998 594 V CB -0.878 30.799 31.823 -0.244 0.000 0.639 594 V HN 0.306 nan 8.190 nan 0.000 0.451 595 T N -0.892 113.764 114.554 0.170 0.000 2.751 595 T HA -0.353 3.998 4.350 0.001 0.000 0.268 595 T C 1.701 176.519 174.700 0.197 0.000 1.045 595 T CA 2.355 64.572 62.100 0.194 0.000 1.142 595 T CB -0.558 68.348 68.868 0.063 0.000 0.851 595 T HN 0.686 nan 8.240 nan 0.000 0.474 596 H N 0.093 119.220 119.070 0.094 0.000 2.253 596 H HA -0.140 4.416 4.556 0.001 0.000 0.296 596 H C 2.076 177.467 175.328 0.105 0.000 1.074 596 H CA 2.032 58.129 56.048 0.081 0.000 1.263 596 H CB -0.637 29.166 29.762 0.069 0.000 1.363 596 H HN 0.407 nan 8.280 nan 0.000 0.489 597 Y N 0.084 120.440 120.300 0.092 0.000 2.102 597 Y HA -0.374 4.177 4.550 0.001 0.000 0.280 597 Y C 1.850 177.674 175.900 -0.126 0.000 1.178 597 Y CA 2.132 60.200 58.100 -0.053 0.000 1.146 597 Y CB -0.845 37.586 38.460 -0.049 0.000 0.968 597 Y HN 0.327 nan 8.280 nan 0.000 0.504 598 Y N -0.485 119.834 120.300 0.031 0.000 2.352 598 Y HA -0.117 4.433 4.550 0.001 0.000 0.292 598 Y C 2.021 177.831 175.900 -0.149 0.000 1.136 598 Y CA 1.304 59.355 58.100 -0.082 0.000 1.227 598 Y CB -0.432 38.068 38.460 0.067 0.000 0.991 598 Y HN 0.172 nan 8.280 nan 0.000 0.545 599 L N -1.582 119.637 121.223 -0.008 0.000 2.640 599 L HA 0.064 4.404 4.340 0.001 0.000 0.230 599 L C 1.520 178.277 176.870 -0.188 0.000 1.123 599 L CA 0.256 55.043 54.840 -0.088 0.000 0.900 599 L CB -0.033 41.986 42.059 -0.066 0.000 1.146 599 L HN 0.113 nan 8.230 nan 0.000 0.484 600 T N -1.071 113.309 114.554 -0.291 0.000 3.356 600 T HA 0.014 4.364 4.350 0.001 0.000 0.220 600 T C 1.649 176.201 174.700 -0.245 0.000 0.963 600 T CA 0.295 62.203 62.100 -0.320 0.000 1.540 600 T CB 0.074 68.670 68.868 -0.454 0.000 1.320 600 T HN 0.055 nan 8.240 nan 0.000 0.448 601 K N 1.029 121.243 120.400 -0.310 0.000 2.062 601 K HA 0.059 4.379 4.320 0.001 0.000 0.205 601 K C 1.556 177.990 176.600 -0.278 0.000 1.051 601 K CA 0.910 57.035 56.287 -0.271 0.000 0.941 601 K CB -0.053 32.278 32.500 -0.281 0.000 0.719 601 K HN 0.166 nan 8.250 nan 0.000 0.440 602 E N 1.131 121.095 120.200 -0.392 0.000 2.296 602 E HA -0.012 4.338 4.350 0.001 0.000 0.196 602 E C 0.967 177.493 176.600 -0.123 0.000 1.143 602 E CA 0.058 56.313 56.400 -0.242 0.000 1.145 602 E CB 0.152 29.706 29.700 -0.244 0.000 1.215 602 E HN -0.044 nan 8.360 nan 0.000 0.447 603 K N 0.756 121.082 120.400 -0.124 0.000 2.026 603 K HA -0.088 4.233 4.320 0.001 0.000 0.208 603 K C 1.219 177.784 176.600 -0.057 0.000 1.048 603 K CA 0.931 57.170 56.287 -0.081 0.000 0.929 603 K CB -0.275 32.176 32.500 -0.081 0.000 0.713 603 K HN 0.351 nan 8.250 nan 0.000 0.439 604 N N 0.849 119.514 118.700 -0.060 0.000 2.161 604 N HA -0.275 4.466 4.740 0.001 0.000 0.199 604 N C 1.355 176.844 175.510 -0.035 0.000 0.990 604 N CA 2.356 55.380 53.050 -0.043 0.000 0.902 604 N CB -0.439 38.021 38.487 -0.045 0.000 1.074 604 N HN 0.471 nan 8.380 nan 0.000 0.556 605 N N -0.274 118.405 118.700 -0.036 0.000 2.545 605 N HA 0.094 4.835 4.740 0.001 0.000 0.190 605 N C -0.151 175.346 175.510 -0.022 0.000 1.043 605 N CA -0.162 52.868 53.050 -0.033 0.000 0.879 605 N CB 0.496 38.960 38.487 -0.038 0.000 1.210 605 N HN -0.133 nan 8.380 nan 0.000 0.437 606 V N 2.571 122.484 119.914 -0.001 0.000 2.493 606 V HA -0.055 4.065 4.120 0.001 0.000 0.292 606 V C 1.265 177.345 176.094 -0.025 0.000 1.016 606 V CA 0.680 62.984 62.300 0.006 0.000 1.097 606 V CB 0.901 32.755 31.823 0.051 0.000 0.947 606 V HN 0.289 nan 8.190 nan 0.000 0.479 607 E N 4.238 124.420 120.200 -0.031 0.000 2.038 607 E HA 0.019 4.369 4.350 0.001 0.000 0.190 607 E C 0.469 177.039 176.600 -0.050 0.000 0.967 607 E CA 1.068 57.455 56.400 -0.021 0.000 0.816 607 E CB 0.358 30.062 29.700 0.006 0.000 0.784 607 E HN 0.790 nan 8.360 nan 0.000 0.456 608 S N 0.010 115.670 115.700 -0.067 0.000 2.649 608 S HA 0.524 4.995 4.470 0.001 0.000 0.274 608 S C -0.925 173.585 174.600 -0.151 0.000 1.176 608 S CA -1.044 57.058 58.200 -0.164 0.000 0.988 608 S CB 1.569 64.703 63.200 -0.109 0.000 1.071 608 S HN 0.064 nan 8.310 nan 0.000 0.478 609 V N 3.045 122.830 119.914 -0.214 0.000 2.607 609 V HA 0.521 4.642 4.120 0.001 0.000 0.289 609 V C -0.610 175.458 176.094 -0.043 0.000 1.053 609 V CA -0.431 61.777 62.300 -0.154 0.000 0.996 609 V CB 0.833 32.575 31.823 -0.135 0.000 0.995 609 V HN 0.883 nan 8.190 nan 0.000 0.476 610 F N 4.316 124.201 119.950 -0.108 0.000 2.564 610 F HA 0.723 5.250 4.527 0.001 0.000 0.361 610 F C 0.314 175.970 175.800 -0.240 0.000 1.161 610 F CA -0.769 57.193 58.000 -0.062 0.000 1.198 610 F CB 0.331 39.388 39.000 0.096 0.000 1.424 610 F HN 0.549 nan 8.300 nan 0.000 0.517 611 A N 4.146 126.695 122.820 -0.452 0.000 2.328 611 A HA 0.683 5.004 4.320 0.001 0.000 0.284 611 A C -1.014 176.183 177.584 -0.646 0.000 1.160 611 A CA -0.444 51.310 52.037 -0.471 0.000 0.818 611 A CB 0.624 19.467 19.000 -0.262 0.000 1.087 611 A HN 0.432 nan 8.150 nan 0.000 0.504 612 V N 3.469 123.014 119.914 -0.616 0.000 2.384 612 V HA 0.237 4.358 4.120 0.001 0.000 0.287 612 V C 0.174 176.143 176.094 -0.207 0.000 1.020 612 V CA -0.739 61.269 62.300 -0.487 0.000 0.850 612 V CB 1.331 32.803 31.823 -0.586 0.000 0.987 612 V HN 0.994 nan 8.190 nan 0.000 0.436 613 N N 3.178 121.797 118.700 -0.135 0.000 2.472 613 N HA 0.512 5.253 4.740 0.001 0.000 0.277 613 N C 0.706 176.236 175.510 0.034 0.000 1.081 613 N CA 0.830 53.850 53.050 -0.051 0.000 0.973 613 N CB 1.023 39.479 38.487 -0.052 0.000 1.105 613 N HN 1.123 nan 8.380 nan 0.000 0.470 614 G N 2.864 111.699 108.800 0.058 0.000 2.326 614 G HA2 -0.226 3.734 3.960 0.001 0.000 0.286 614 G HA3 -0.226 3.734 3.960 0.001 0.000 0.286 614 G C -0.651 174.386 174.900 0.230 0.000 1.096 614 G CA 0.294 45.459 45.100 0.107 0.000 1.003 614 G HN 0.658 nan 8.290 nan 0.000 0.503 615 F N -0.161 119.816 119.950 0.044 0.000 2.683 615 F HA 0.543 5.070 4.527 0.001 0.000 0.333 615 F C -0.011 175.861 175.800 0.121 0.000 1.160 615 F CA 0.010 58.073 58.000 0.105 0.000 1.099 615 F CB 0.965 40.064 39.000 0.166 0.000 1.344 615 F HN 0.497 nan 8.300 nan 0.000 0.534 616 G N 3.730 112.231 108.800 -0.498 0.000 2.452 616 G HA2 0.367 4.328 3.960 0.001 0.000 0.324 616 G HA3 0.367 4.328 3.960 0.001 0.000 0.324 616 G C -0.861 173.832 174.900 -0.345 0.000 1.214 616 G CA -0.649 44.266 45.100 -0.307 0.000 0.947 616 G HN 0.710 nan 8.290 nan 0.000 0.478 617 F N 2.077 121.913 119.950 -0.190 0.000 2.772 617 F HA 0.290 4.818 4.527 0.001 0.000 0.302 617 F C 1.650 177.458 175.800 0.013 0.000 1.225 617 F CA 0.599 58.599 58.000 -0.000 0.000 1.429 617 F CB 0.255 39.382 39.000 0.211 0.000 1.104 617 F HN 0.464 nan 8.300 nan 0.000 0.550 618 A N -0.946 121.849 122.820 -0.041 0.000 2.011 618 A HA 0.721 5.041 4.320 0.001 0.000 0.204 618 A C 1.085 178.609 177.584 -0.101 0.000 1.520 618 A CA 0.633 52.629 52.037 -0.068 0.000 0.819 618 A CB -0.439 18.560 19.000 -0.002 0.000 1.087 618 A HN 0.377 nan 8.150 nan 0.000 0.526 619 G N -1.200 107.538 108.800 -0.104 0.000 2.349 619 G HA2 0.465 4.425 3.960 0.001 0.000 0.294 619 G HA3 0.465 4.425 3.960 0.001 0.000 0.294 619 G C -1.146 173.716 174.900 -0.063 0.000 1.380 619 G CA -0.796 44.256 45.100 -0.079 0.000 0.811 619 G HN 0.388 nan 8.290 nan 0.000 0.519 620 R N -1.080 119.429 120.500 0.014 0.000 2.801 620 R HA 0.597 4.938 4.340 0.001 0.000 0.273 620 R C 0.877 177.212 176.300 0.058 0.000 1.080 620 R CA 1.668 57.813 56.100 0.075 0.000 1.197 620 R CB 0.743 31.123 30.300 0.133 0.000 1.109 620 R HN 1.498 nan 8.270 nan 0.000 0.535 621 G N -0.498 108.349 108.800 0.079 0.000 2.351 621 G HA2 -0.043 3.917 3.960 0.001 0.000 0.279 621 G HA3 -0.043 3.917 3.960 0.001 0.000 0.279 621 G C -0.894 174.045 174.900 0.065 0.000 1.297 621 G CA -0.627 44.509 45.100 0.061 0.000 0.886 621 G HN 0.509 nan 8.290 nan 0.000 0.493 622 Q N 0.158 119.985 119.800 0.045 0.000 2.171 622 Q HA 0.187 4.527 4.340 0.001 0.000 0.218 622 Q C 0.609 176.620 176.000 0.018 0.000 0.822 622 Q CA 0.196 56.022 55.803 0.038 0.000 0.987 622 Q CB 0.262 29.020 28.738 0.034 0.000 1.144 622 Q HN 0.561 nan 8.270 nan 0.000 0.494 623 N N -0.442 118.265 118.700 0.011 0.000 2.451 623 N HA 0.040 4.781 4.740 0.001 0.000 0.271 623 N C -0.901 174.598 175.510 -0.018 0.000 1.410 623 N CA -0.168 52.877 53.050 -0.008 0.000 0.884 623 N CB 0.934 39.415 38.487 -0.010 0.000 1.332 623 N HN -0.127 nan 8.380 nan 0.000 0.498 624 T N -1.895 112.654 114.554 -0.008 0.000 2.848 624 T HA 0.772 5.123 4.350 0.001 0.000 0.285 624 T C -0.008 174.682 174.700 -0.017 0.000 0.995 624 T CA -0.854 61.234 62.100 -0.019 0.000 0.970 624 T CB 2.122 70.984 68.868 -0.011 0.000 0.976 624 T HN 0.205 nan 8.240 nan 0.000 0.441 625 G N 1.447 110.216 108.800 -0.052 0.000 2.662 625 G HA2 0.650 4.611 3.960 0.001 0.000 0.302 625 G HA3 0.650 4.611 3.960 0.001 0.000 0.302 625 G C -1.707 173.139 174.900 -0.091 0.000 1.389 625 G CA -0.714 44.342 45.100 -0.073 0.000 0.998 625 G HN 0.842 nan 8.290 nan 0.000 0.502 626 I N 1.630 122.129 120.570 -0.117 0.000 2.436 626 I HA 0.715 4.885 4.170 0.001 0.000 0.289 626 I C 0.069 175.951 176.117 -0.393 0.000 1.010 626 I CA -0.745 60.438 61.300 -0.195 0.000 1.098 626 I CB 1.925 39.854 38.000 -0.118 0.000 1.266 626 I HN 0.622 nan 8.210 nan 0.000 0.434 627 A N 7.562 130.218 122.820 -0.273 0.000 2.399 627 A HA 0.571 4.891 4.320 0.001 0.000 0.327 627 A C -1.188 176.325 177.584 -0.117 0.000 1.367 627 A CA -0.388 51.499 52.037 -0.251 0.000 0.842 627 A CB -0.181 18.743 19.000 -0.126 0.000 1.142 627 A HN 0.458 nan 8.150 nan 0.000 0.495 628 F N 2.614 122.506 119.950 -0.097 0.000 2.471 628 F HA 0.320 4.847 4.527 0.001 0.000 0.365 628 F C 0.638 176.343 175.800 -0.157 0.000 1.095 628 F CA -0.568 57.412 58.000 -0.033 0.000 1.174 628 F CB 0.305 39.406 39.000 0.168 0.000 1.105 628 F HN 0.293 nan 8.300 nan 0.000 0.535 629 V N 1.900 121.663 119.914 -0.250 0.000 3.134 629 V HA 0.669 4.790 4.120 0.001 0.000 0.313 629 V C 0.138 176.080 176.094 -0.253 0.000 1.069 629 V CA -0.729 61.284 62.300 -0.478 0.000 1.048 629 V CB 1.763 32.886 31.823 -1.168 0.000 1.119 629 V HN 0.740 nan 8.190 nan 0.000 0.461 630 S N 0.680 116.276 115.700 -0.173 0.000 2.546 630 S HA 0.780 5.250 4.470 0.001 0.000 0.274 630 S C -1.204 173.361 174.600 -0.057 0.000 1.121 630 S CA -0.603 57.547 58.200 -0.083 0.000 0.887 630 S CB 1.218 64.419 63.200 0.001 0.000 1.094 630 S HN 0.548 nan 8.310 nan 0.000 0.474 631 L N 2.680 123.867 121.223 -0.060 0.000 2.298 631 L HA 0.628 4.968 4.340 0.001 0.000 0.268 631 L C 0.447 177.259 176.870 -0.096 0.000 1.010 631 L CA -1.115 53.680 54.840 -0.075 0.000 0.812 631 L CB 1.032 43.021 42.059 -0.116 0.000 1.331 631 L HN 0.600 nan 8.230 nan 0.000 0.450 632 K N -0.183 120.163 120.400 -0.091 0.000 2.136 632 K HA 0.056 4.376 4.320 0.001 0.000 0.237 632 K C -0.664 175.876 176.600 -0.100 0.000 1.048 632 K CA -0.347 55.906 56.287 -0.057 0.000 0.880 632 K CB 0.245 32.729 32.500 -0.026 0.000 1.105 632 K HN 0.444 nan 8.250 nan 0.000 0.507 633 D N 0.214 120.621 120.400 0.011 0.000 2.551 633 D HA 0.055 4.695 4.640 0.001 0.000 0.223 633 D C -0.280 176.164 176.300 0.239 0.000 1.144 633 D CA 0.188 54.271 54.000 0.139 0.000 1.025 633 D CB -0.235 40.688 40.800 0.206 0.000 1.085 633 D HN 0.451 nan 8.370 nan 0.000 0.506 634 W N 1.928 123.260 121.300 0.053 0.000 1.950 634 W HA -0.501 4.160 4.660 0.001 0.000 0.313 634 W C 2.317 178.862 176.519 0.043 0.000 1.846 634 W CA 1.746 59.124 57.345 0.054 0.000 2.129 634 W CB -1.951 27.551 29.460 0.071 0.000 0.935 634 W HN 0.359 nan 8.180 nan 0.000 0.454 635 A N 0.093 123.102 122.820 0.315 0.000 2.009 635 A HA -0.247 4.073 4.320 0.001 0.000 0.222 635 A C 1.203 178.854 177.584 0.112 0.000 1.175 635 A CA 2.544 54.686 52.037 0.175 0.000 0.651 635 A CB -1.090 17.995 19.000 0.141 0.000 0.815 635 A HN 0.620 nan 8.150 nan 0.000 0.459 636 D N -1.189 119.268 120.400 0.095 0.000 2.352 636 D HA 0.206 4.846 4.640 0.001 0.000 0.236 636 D C 0.384 176.698 176.300 0.024 0.000 1.148 636 D CA 0.207 54.237 54.000 0.050 0.000 0.844 636 D CB 0.106 40.929 40.800 0.039 0.000 0.933 636 D HN 0.342 nan 8.370 nan 0.000 0.507 637 R N 0.528 121.049 120.500 0.035 0.000 2.684 637 R HA 0.117 4.457 4.340 0.001 0.000 0.252 637 R C -1.899 174.423 176.300 0.037 0.000 1.628 637 R CA -0.930 55.176 56.100 0.011 0.000 1.622 637 R CB 1.206 31.485 30.300 -0.036 0.000 1.418 637 R HN 0.028 nan 8.270 nan 0.000 0.697 638 P HA -0.158 nan 4.420 nan 0.000 0.214 638 P C 0.763 178.088 177.300 0.043 0.000 1.163 638 P CA 1.262 64.389 63.100 0.046 0.000 0.889 638 P CB 0.426 32.145 31.700 0.033 0.000 0.790 639 G N -0.744 108.072 108.800 0.026 0.000 2.753 639 G HA2 0.205 4.165 3.960 0.001 0.000 0.285 639 G HA3 0.205 4.165 3.960 0.001 0.000 0.285 639 G C 0.832 175.741 174.900 0.015 0.000 1.344 639 G CA -0.350 44.763 45.100 0.021 0.000 1.050 639 G HN -0.046 nan 8.290 nan 0.000 0.532 640 E N 0.540 120.747 120.200 0.011 0.000 2.153 640 E HA -0.161 4.190 4.350 0.001 0.000 0.194 640 E C 2.158 178.753 176.600 -0.009 0.000 0.988 640 E CA 1.326 57.729 56.400 0.005 0.000 0.811 640 E CB -0.163 29.540 29.700 0.005 0.000 0.746 640 E HN 0.789 nan 8.360 nan 0.000 0.466 641 E N 1.521 121.714 120.200 -0.010 0.000 2.265 641 E HA -0.186 4.164 4.350 0.001 0.000 0.196 641 E C 0.804 177.386 176.600 -0.029 0.000 0.996 641 E CA 1.095 57.484 56.400 -0.018 0.000 0.832 641 E CB -0.523 29.169 29.700 -0.015 0.000 0.756 641 E HN 0.389 nan 8.360 nan 0.000 0.491 642 N N 0.228 118.911 118.700 -0.028 0.000 2.299 642 N HA 0.050 4.791 4.740 0.001 0.000 0.187 642 N C -0.080 175.390 175.510 -0.067 0.000 1.099 642 N CA -0.121 52.903 53.050 -0.043 0.000 0.867 642 N CB 0.427 38.895 38.487 -0.031 0.000 0.974 642 N HN 0.017 nan 8.380 nan 0.000 0.477 643 K N 0.804 121.173 120.400 -0.052 0.000 2.218 643 K HA 0.176 4.496 4.320 0.001 0.000 0.276 643 K C 0.940 177.476 176.600 -0.108 0.000 1.022 643 K CA -0.343 55.906 56.287 -0.064 0.000 0.946 643 K CB 2.019 34.514 32.500 -0.008 0.000 1.000 643 K HN -0.200 nan 8.250 nan 0.000 0.468 644 V N 2.235 122.053 119.914 -0.160 0.000 2.277 644 V HA -0.327 3.794 4.120 0.001 0.000 0.255 644 V C 2.332 178.314 176.094 -0.187 0.000 1.074 644 V CA 1.867 64.010 62.300 -0.261 0.000 1.058 644 V CB -0.412 31.259 31.823 -0.253 0.000 0.656 644 V HN 0.808 nan 8.190 nan 0.000 0.449 645 E N -0.150 119.996 120.200 -0.090 0.000 2.086 645 E HA -0.319 4.031 4.350 0.001 0.000 0.205 645 E C 2.311 178.879 176.600 -0.053 0.000 1.027 645 E CA 2.154 58.527 56.400 -0.046 0.000 0.830 645 E CB -0.495 29.198 29.700 -0.013 0.000 0.751 645 E HN 0.610 nan 8.360 nan 0.000 0.456 646 A N 0.784 123.571 122.820 -0.055 0.000 1.855 646 A HA -0.144 4.176 4.320 0.001 0.000 0.215 646 A C 2.442 179.996 177.584 -0.049 0.000 1.191 646 A CA 1.435 53.446 52.037 -0.043 0.000 0.613 646 A CB -0.734 18.246 19.000 -0.033 0.000 0.829 646 A HN 0.250 nan 8.150 nan 0.000 0.442 647 I N 0.393 120.916 120.570 -0.079 0.000 2.069 647 I HA -0.329 3.842 4.170 0.001 0.000 0.237 647 I C 2.957 179.056 176.117 -0.031 0.000 1.053 647 I CA 2.227 63.496 61.300 -0.053 0.000 1.311 647 I CB -1.014 36.916 38.000 -0.117 0.000 1.030 647 I HN 0.558 nan 8.210 nan 0.000 0.398 648 T N -0.701 113.787 114.554 -0.110 0.000 2.684 648 T HA -0.299 4.051 4.350 0.001 0.000 0.267 648 T C 1.829 176.529 174.700 -0.000 0.000 1.036 648 T CA 1.698 63.787 62.100 -0.017 0.000 1.148 648 T CB -0.600 68.257 68.868 -0.017 0.000 0.863 648 T HN 0.242 nan 8.240 nan 0.000 0.436 649 M N 2.009 121.599 119.600 -0.016 0.000 2.084 649 M HA -0.144 4.336 4.480 0.001 0.000 0.259 649 M C 2.673 178.944 176.300 -0.049 0.000 1.072 649 M CA 2.373 57.663 55.300 -0.017 0.000 1.107 649 M CB -0.215 32.376 32.600 -0.016 0.000 1.299 649 M HN 0.400 nan 8.290 nan 0.000 0.413 650 R N 0.103 120.572 120.500 -0.052 0.000 2.193 650 R HA -0.046 4.295 4.340 0.001 0.000 0.229 650 R C 1.856 178.046 176.300 -0.183 0.000 1.110 650 R CA 1.369 57.425 56.100 -0.073 0.000 0.988 650 R CB -0.901 29.386 30.300 -0.023 0.000 0.871 650 R HN 0.405 nan 8.270 nan 0.000 0.458 651 A N 1.333 124.019 122.820 -0.224 0.000 1.858 651 A HA -0.135 4.186 4.320 0.001 0.000 0.216 651 A C 2.231 179.349 177.584 -0.776 0.000 1.190 651 A CA 1.993 53.641 52.037 -0.648 0.000 0.617 651 A CB -1.114 17.675 19.000 -0.352 0.000 0.827 651 A HN 0.469 nan 8.150 nan 0.000 0.443 652 T N -0.676 113.702 114.554 -0.294 0.000 2.720 652 T HA -0.158 4.193 4.350 0.001 0.000 0.268 652 T C 1.937 176.565 174.700 -0.119 0.000 1.037 652 T CA 1.488 63.534 62.100 -0.090 0.000 1.144 652 T CB -0.241 68.653 68.868 0.044 0.000 0.864 652 T HN 0.477 nan 8.240 nan 0.000 0.444 653 R N 0.496 120.907 120.500 -0.150 0.000 2.357 653 R HA 0.138 4.478 4.340 0.001 0.000 0.202 653 R C 2.025 178.241 176.300 -0.141 0.000 1.047 653 R CA 0.645 56.680 56.100 -0.108 0.000 1.034 653 R CB -0.107 30.143 30.300 -0.083 0.000 0.875 653 R HN 0.418 nan 8.270 nan 0.000 0.473 654 A N -0.472 122.180 122.820 -0.280 0.000 1.963 654 A HA 0.100 4.420 4.320 0.001 0.000 0.207 654 A C 1.336 178.830 177.584 -0.149 0.000 1.243 654 A CA -0.059 51.806 52.037 -0.285 0.000 0.728 654 A CB -0.164 18.513 19.000 -0.539 0.000 0.895 654 A HN 0.145 nan 8.150 nan 0.000 0.467 655 F N 2.026 121.837 119.950 -0.231 0.000 2.000 655 F HA -0.150 4.377 4.527 0.001 0.000 0.295 655 F C 3.020 178.774 175.800 -0.076 0.000 1.159 655 F CA 1.608 59.512 58.000 -0.160 0.000 1.171 655 F CB -1.193 37.721 39.000 -0.144 0.000 0.971 655 F HN 0.310 nan 8.300 nan 0.000 0.479 656 S N -0.601 115.207 115.700 0.181 0.000 2.453 656 S HA -0.176 4.294 4.470 0.001 0.000 0.231 656 S C 1.755 176.387 174.600 0.054 0.000 1.005 656 S CA 0.863 59.128 58.200 0.109 0.000 0.949 656 S CB -0.631 62.645 63.200 0.126 0.000 0.774 656 S HN 0.364 nan 8.310 nan 0.000 0.510 657 Q N 2.028 121.847 119.800 0.031 0.000 2.291 657 Q HA 0.069 4.410 4.340 0.001 0.000 0.206 657 Q C 0.389 176.396 176.000 0.012 0.000 0.976 657 Q CA 1.065 56.874 55.803 0.010 0.000 0.875 657 Q CB -0.396 28.336 28.738 -0.009 0.000 0.927 657 Q HN 0.867 nan 8.270 nan 0.000 0.450 658 I N -1.300 119.282 120.570 0.020 0.000 2.583 658 I HA 0.596 4.767 4.170 0.001 0.000 0.276 658 I C -0.882 175.247 176.117 0.020 0.000 1.089 658 I CA -1.126 60.184 61.300 0.016 0.000 1.103 658 I CB 1.302 39.308 38.000 0.010 0.000 1.209 658 I HN -0.249 nan 8.210 nan 0.000 0.484 659 K N 3.228 123.638 120.400 0.016 0.000 2.579 659 K HA 0.339 4.659 4.320 0.001 0.000 0.284 659 K C -0.186 176.415 176.600 0.002 0.000 0.990 659 K CA -0.420 55.871 56.287 0.008 0.000 0.880 659 K CB 2.185 34.697 32.500 0.020 0.000 1.488 659 K HN 0.547 nan 8.250 nan 0.000 0.425 660 D N -0.083 120.310 120.400 -0.010 0.000 2.379 660 D HA 0.185 4.826 4.640 0.001 0.000 0.218 660 D C 0.055 176.352 176.300 -0.005 0.000 1.006 660 D CA 0.246 54.241 54.000 -0.009 0.000 0.893 660 D CB 0.486 41.275 40.800 -0.018 0.000 1.019 660 D HN 0.382 nan 8.370 nan 0.000 0.503 661 A N 0.323 123.136 122.820 -0.012 0.000 2.346 661 A HA 0.648 4.969 4.320 0.001 0.000 0.313 661 A C -0.197 177.392 177.584 0.008 0.000 1.140 661 A CA -0.685 51.347 52.037 -0.010 0.000 0.826 661 A CB 1.347 20.327 19.000 -0.033 0.000 1.332 661 A HN 0.086 nan 8.150 nan 0.000 0.457 662 M N 2.142 121.755 119.600 0.021 0.000 2.261 662 M HA 0.351 4.832 4.480 0.001 0.000 0.349 662 M C -0.987 175.303 176.300 -0.016 0.000 1.305 662 M CA -0.043 55.306 55.300 0.082 0.000 1.240 662 M CB -0.330 32.357 32.600 0.145 0.000 1.394 662 M HN 0.280 nan 8.290 nan 0.000 0.438 663 V N 5.974 125.894 119.914 0.010 0.000 2.577 663 V HA 0.696 4.817 4.120 0.001 0.000 0.303 663 V C -0.818 175.314 176.094 0.063 0.000 1.042 663 V CA -0.671 61.532 62.300 -0.161 0.000 0.872 663 V CB 2.001 33.689 31.823 -0.225 0.000 0.998 663 V HN 0.674 nan 8.190 nan 0.000 0.423 664 F N 2.129 122.096 119.950 0.028 0.000 2.641 664 F HA 0.949 5.477 4.527 0.001 0.000 0.308 664 F C -0.216 175.574 175.800 -0.016 0.000 1.105 664 F CA -1.259 56.796 58.000 0.092 0.000 0.964 664 F CB 1.411 40.471 39.000 0.100 0.000 1.294 664 F HN 0.569 nan 8.300 nan 0.000 0.442 665 A N 2.687 125.676 122.820 0.281 0.000 2.312 665 A HA 0.902 5.222 4.320 0.001 0.000 0.326 665 A C -1.143 176.555 177.584 0.191 0.000 1.172 665 A CA -0.675 51.447 52.037 0.141 0.000 0.821 665 A CB 0.448 19.722 19.000 0.456 0.000 1.166 665 A HN 0.950 nan 8.150 nan 0.000 0.493 666 F N -0.027 120.142 119.950 0.365 0.000 2.629 666 F HA 0.660 5.188 4.527 0.001 0.000 0.316 666 F C -0.294 175.671 175.800 0.275 0.000 1.081 666 F CA -1.498 56.667 58.000 0.275 0.000 0.954 666 F CB 1.353 40.501 39.000 0.247 0.000 1.337 666 F HN 0.450 nan 8.300 nan 0.000 0.474 667 N N 1.829 120.811 118.700 0.471 0.000 2.488 667 N HA 0.306 5.047 4.740 0.001 0.000 0.274 667 N C -0.897 174.772 175.510 0.266 0.000 1.111 667 N CA -0.672 52.570 53.050 0.320 0.000 0.974 667 N CB 0.990 39.565 38.487 0.147 0.000 1.089 667 N HN 0.801 nan 8.380 nan 0.000 0.465 668 L N 2.219 123.587 121.223 0.241 0.000 2.534 668 L HA 0.463 4.804 4.340 0.001 0.000 0.271 668 L C -1.976 174.950 176.870 0.094 0.000 1.178 668 L CA -1.489 53.425 54.840 0.123 0.000 0.907 668 L CB -0.660 41.492 42.059 0.154 0.000 1.164 668 L HN 0.389 nan 8.230 nan 0.000 0.482 669 P HA -0.042 nan 4.420 nan 0.000 0.266 669 P C -0.099 177.276 177.300 0.125 0.000 1.180 669 P CA 0.338 63.488 63.100 0.084 0.000 0.765 669 P CB 0.389 32.129 31.700 0.066 0.000 0.806 670 A N 4.506 127.414 122.820 0.147 0.000 2.580 670 A HA 0.184 4.505 4.320 0.001 0.000 0.244 670 A C 0.428 178.109 177.584 0.162 0.000 1.045 670 A CA 0.301 52.443 52.037 0.175 0.000 0.761 670 A CB -1.179 17.944 19.000 0.204 0.000 0.962 670 A HN 0.630 nan 8.150 nan 0.000 0.512 671 I N 0.788 121.472 120.570 0.190 0.000 8.455 671 I HA -0.192 3.978 4.170 0.001 0.000 0.126 671 I C 0.297 176.535 176.117 0.202 0.000 1.855 671 I CA -0.371 61.051 61.300 0.203 0.000 2.041 671 I CB -1.313 36.683 38.000 -0.007 0.000 3.831 671 I HN 0.485 nan 8.210 nan 0.000 0.170 672 V N 6.254 126.314 119.914 0.243 0.000 2.681 672 V HA -0.068 4.052 4.120 0.001 0.000 0.306 672 V C 1.341 177.554 176.094 0.197 0.000 1.077 672 V CA 1.855 64.293 62.300 0.230 0.000 1.224 672 V CB 0.881 32.855 31.823 0.251 0.000 0.879 672 V HN 1.180 nan 8.190 nan 0.000 0.494 673 E N 3.599 123.912 120.200 0.189 0.000 4.798 673 E HA -0.326 4.024 4.350 0.001 0.000 0.165 673 E C 0.758 177.435 176.600 0.129 0.000 1.032 673 E CA 1.827 58.320 56.400 0.155 0.000 2.424 673 E CB -1.737 28.045 29.700 0.136 0.000 1.697 673 E HN 0.588 nan 8.360 nan 0.000 0.529 674 L N 1.666 122.962 121.223 0.120 0.000 2.885 674 L HA 0.227 4.568 4.340 0.001 0.000 0.258 674 L C 1.165 178.071 176.870 0.060 0.000 1.146 674 L CA 1.212 56.101 54.840 0.081 0.000 0.922 674 L CB -0.753 41.355 42.059 0.081 0.000 1.138 674 L HN 0.436 nan 8.230 nan 0.000 0.431 675 G N -0.428 108.423 108.800 0.085 0.000 2.991 675 G HA2 0.053 4.013 3.960 0.001 0.000 0.262 675 G HA3 0.053 4.013 3.960 0.001 0.000 0.262 675 G C 0.901 175.829 174.900 0.047 0.000 0.765 675 G CA 0.466 45.610 45.100 0.073 0.000 2.051 675 G HN 0.482 nan 8.290 nan 0.000 0.602 676 T N -3.067 111.487 114.554 0.000 0.000 3.252 676 T HA 0.572 4.923 4.350 0.001 0.000 0.286 676 T C 1.370 176.032 174.700 -0.063 0.000 1.013 676 T CA 0.649 62.737 62.100 -0.020 0.000 0.914 676 T CB 0.933 69.778 68.868 -0.039 0.000 1.131 676 T HN 0.283 nan 8.240 nan 0.000 0.529 677 A N 1.018 123.815 122.820 -0.039 0.000 2.026 677 A HA 0.384 4.704 4.320 0.001 0.000 0.198 677 A C 1.346 178.946 177.584 0.026 0.000 1.390 677 A CA 0.124 52.143 52.037 -0.031 0.000 0.915 677 A CB -0.049 18.946 19.000 -0.007 0.000 0.974 677 A HN 0.452 nan 8.150 nan 0.000 0.477 678 T N 1.658 116.234 114.554 0.038 0.000 3.945 678 T HA 0.491 4.842 4.350 0.001 0.000 0.306 678 T C 0.821 175.551 174.700 0.051 0.000 1.475 678 T CA 0.722 62.850 62.100 0.047 0.000 1.177 678 T CB -0.455 68.437 68.868 0.039 0.000 1.272 678 T HN 1.342 nan 8.240 nan 0.000 0.930 679 G N 2.687 111.534 108.800 0.078 0.000 2.846 679 G HA2 -0.031 3.929 3.960 0.001 0.000 0.225 679 G HA3 -0.031 3.929 3.960 0.001 0.000 0.225 679 G C -0.643 174.398 174.900 0.236 0.000 1.285 679 G CA -0.172 45.008 45.100 0.132 0.000 1.055 679 G HN 0.833 nan 8.290 nan 0.000 0.579 680 F N 0.068 120.073 119.950 0.093 0.000 2.715 680 F HA 0.837 5.364 4.527 0.001 0.000 0.318 680 F C -1.342 174.589 175.800 0.218 0.000 1.141 680 F CA -0.464 57.626 58.000 0.151 0.000 0.950 680 F CB 2.025 41.138 39.000 0.188 0.000 1.374 680 F HN 0.711 nan 8.300 nan 0.000 0.477 681 D N 0.938 121.640 120.400 0.503 0.000 2.613 681 D HA 0.340 4.980 4.640 0.001 0.000 0.230 681 D C -2.137 174.451 176.300 0.480 0.000 1.365 681 D CA -0.010 54.165 54.000 0.293 0.000 0.976 681 D CB 1.190 42.084 40.800 0.157 0.000 1.415 681 D HN 0.643 nan 8.370 nan 0.000 0.589 682 F N 2.372 122.428 119.950 0.176 0.000 2.458 682 F HA 0.647 5.174 4.527 0.001 0.000 0.330 682 F C -0.102 175.565 175.800 -0.221 0.000 1.082 682 F CA -0.504 57.414 58.000 -0.135 0.000 0.995 682 F CB 1.714 40.670 39.000 -0.072 0.000 1.170 682 F HN 0.278 nan 8.300 nan 0.000 0.478 683 E N 2.807 122.696 120.200 -0.518 0.000 2.312 683 E HA 0.588 4.938 4.350 0.001 0.000 0.267 683 E C -2.093 174.391 176.600 -0.194 0.000 0.894 683 E CA -0.772 55.448 56.400 -0.300 0.000 0.773 683 E CB 1.987 31.354 29.700 -0.555 0.000 1.241 683 E HN 0.543 nan 8.360 nan 0.000 0.432 684 L N 4.107 125.329 121.223 -0.001 0.000 2.372 684 L HA 0.566 4.907 4.340 0.001 0.000 0.274 684 L C -1.548 175.332 176.870 0.017 0.000 0.988 684 L CA -0.191 54.690 54.840 0.070 0.000 0.833 684 L CB 1.279 43.416 42.059 0.131 0.000 1.236 684 L HN 0.561 nan 8.230 nan 0.000 0.410 685 I N 3.091 123.659 120.570 -0.003 0.000 2.404 685 I HA 0.257 4.428 4.170 0.001 0.000 0.293 685 I C -0.358 175.762 176.117 0.004 0.000 0.992 685 I CA -0.657 60.644 61.300 0.003 0.000 1.149 685 I CB 1.821 39.814 38.000 -0.011 0.000 1.315 685 I HN 0.529 nan 8.210 nan 0.000 0.446 686 D N 5.612 126.020 120.400 0.013 0.000 2.600 686 D HA 0.028 4.669 4.640 0.001 0.000 0.226 686 D C 0.407 176.708 176.300 0.002 0.000 1.119 686 D CA 0.172 54.178 54.000 0.010 0.000 1.051 686 D CB 0.308 41.120 40.800 0.021 0.000 1.106 686 D HN 0.422 nan 8.370 nan 0.000 0.491 687 Q N 1.485 121.281 119.800 -0.007 0.000 2.239 687 Q HA 0.286 4.626 4.340 0.001 0.000 0.219 687 Q C 0.388 176.382 176.000 -0.010 0.000 0.901 687 Q CA -0.116 55.678 55.803 -0.014 0.000 0.949 687 Q CB 0.635 29.355 28.738 -0.029 0.000 1.038 687 Q HN 0.523 nan 8.270 nan 0.000 0.458 688 A N -1.351 121.466 122.820 -0.004 0.000 2.716 688 A HA 0.434 4.754 4.320 0.001 0.000 0.252 688 A C 0.982 178.567 177.584 0.002 0.000 1.144 688 A CA 0.190 52.226 52.037 -0.002 0.000 0.995 688 A CB 0.362 19.361 19.000 -0.002 0.000 1.252 688 A HN 0.313 nan 8.150 nan 0.000 0.593 689 G N 0.159 108.962 108.800 0.005 0.000 2.176 689 G HA2 -0.261 3.699 3.960 0.001 0.000 0.252 689 G HA3 -0.261 3.699 3.960 0.001 0.000 0.252 689 G C 0.674 175.581 174.900 0.013 0.000 1.024 689 G CA 0.537 45.643 45.100 0.009 0.000 0.755 689 G HN 0.660 nan 8.290 nan 0.000 0.507 690 L N 0.204 121.433 121.223 0.011 0.000 2.551 690 L HA 0.359 4.699 4.340 0.001 0.000 0.228 690 L C 1.887 178.768 176.870 0.018 0.000 1.153 690 L CA 0.781 55.627 54.840 0.010 0.000 0.851 690 L CB -0.626 41.434 42.059 0.002 0.000 0.959 690 L HN 1.234 nan 8.230 nan 0.000 0.451 691 G N -0.446 108.374 108.800 0.032 0.000 2.846 691 G HA2 -0.370 3.590 3.960 0.001 0.000 0.660 691 G HA3 -0.370 3.590 3.960 0.001 0.000 0.660 691 G C 0.293 175.240 174.900 0.078 0.000 1.464 691 G CA 0.327 45.463 45.100 0.061 0.000 0.891 691 G HN 0.488 nan 8.290 nan 0.000 0.552 692 H N -0.116 118.964 119.070 0.017 0.000 2.353 692 H HA -0.023 4.533 4.556 0.001 0.000 0.300 692 H C 2.311 177.648 175.328 0.016 0.000 1.090 692 H CA 2.426 58.486 56.048 0.020 0.000 1.327 692 H CB 0.022 29.800 29.762 0.028 0.000 1.383 692 H HN 0.661 nan 8.280 nan 0.000 0.508 693 E N 0.058 120.289 120.200 0.051 0.000 2.204 693 E HA -0.152 4.198 4.350 0.001 0.000 0.195 693 E C 1.900 178.438 176.600 -0.103 0.000 0.990 693 E CA 0.963 57.352 56.400 -0.018 0.000 0.821 693 E CB 0.095 29.847 29.700 0.087 0.000 0.750 693 E HN 0.541 nan 8.360 nan 0.000 0.477 694 K N 0.067 120.420 120.400 -0.077 0.000 2.305 694 K HA 0.048 4.368 4.320 0.001 0.000 0.199 694 K C 1.967 178.506 176.600 -0.101 0.000 1.047 694 K CA 0.215 56.459 56.287 -0.071 0.000 0.976 694 K CB 0.243 32.722 32.500 -0.035 0.000 0.765 694 K HN 0.118 nan 8.250 nan 0.000 0.474 695 L N 0.940 122.074 121.223 -0.149 0.000 2.209 695 L HA -0.090 4.250 4.340 0.001 0.000 0.207 695 L C 1.691 178.454 176.870 -0.178 0.000 1.094 695 L CA 1.187 55.947 54.840 -0.134 0.000 0.790 695 L CB -0.416 41.585 42.059 -0.097 0.000 0.932 695 L HN 0.287 nan 8.230 nan 0.000 0.447 696 T N -1.626 112.730 114.554 -0.330 0.000 2.720 696 T HA -0.306 4.045 4.350 0.001 0.000 0.268 696 T C 1.702 176.324 174.700 -0.130 0.000 1.037 696 T CA 1.346 63.300 62.100 -0.244 0.000 1.144 696 T CB -0.265 68.425 68.868 -0.297 0.000 0.864 696 T HN 0.336 nan 8.240 nan 0.000 0.444 697 Q N 0.588 120.311 119.800 -0.128 0.000 2.084 697 Q HA -0.024 4.316 4.340 0.001 0.000 0.202 697 Q C 2.605 178.568 176.000 -0.062 0.000 0.978 697 Q CA 1.342 57.095 55.803 -0.082 0.000 0.844 697 Q CB -0.303 28.389 28.738 -0.076 0.000 0.898 697 Q HN 0.643 nan 8.270 nan 0.000 0.426 698 A N 0.575 123.359 122.820 -0.061 0.000 1.929 698 A HA -0.140 4.181 4.320 0.001 0.000 0.216 698 A C 1.983 179.542 177.584 -0.042 0.000 1.176 698 A CA 1.068 53.080 52.037 -0.042 0.000 0.628 698 A CB -0.433 18.548 19.000 -0.031 0.000 0.816 698 A HN 0.242 nan 8.150 nan 0.000 0.444 699 R N -0.278 120.195 120.500 -0.046 0.000 2.152 699 R HA -0.146 4.194 4.340 0.001 0.000 0.232 699 R C 1.655 177.930 176.300 -0.042 0.000 1.117 699 R CA 1.346 57.421 56.100 -0.041 0.000 0.981 699 R CB -0.276 30.006 30.300 -0.031 0.000 0.870 699 R HN 0.536 nan 8.270 nan 0.000 0.451 700 N N 0.799 119.474 118.700 -0.041 0.000 2.013 700 N HA -0.240 4.500 4.740 0.001 0.000 0.195 700 N C 1.608 177.097 175.510 -0.035 0.000 1.051 700 N CA 1.429 54.457 53.050 -0.035 0.000 0.851 700 N CB -0.357 38.108 38.487 -0.038 0.000 1.044 700 N HN 0.252 nan 8.380 nan 0.000 0.422 701 Q N 0.011 119.789 119.800 -0.037 0.000 2.181 701 Q HA -0.126 4.214 4.340 0.001 0.000 0.205 701 Q C 2.112 178.089 176.000 -0.038 0.000 0.980 701 Q CA 0.910 56.693 55.803 -0.034 0.000 0.862 701 Q CB -0.154 28.567 28.738 -0.029 0.000 0.905 701 Q HN 0.362 nan 8.270 nan 0.000 0.429 702 L N 0.215 121.407 121.223 -0.051 0.000 1.961 702 L HA -0.233 4.108 4.340 0.001 0.000 0.210 702 L C 2.277 179.111 176.870 -0.061 0.000 1.072 702 L CA 1.225 56.020 54.840 -0.074 0.000 0.749 702 L CB -0.332 41.651 42.059 -0.127 0.000 0.889 702 L HN 0.280 nan 8.230 nan 0.000 0.432 703 L N -0.447 120.743 121.223 -0.055 0.000 2.051 703 L HA -0.281 4.060 4.340 0.001 0.000 0.214 703 L C 2.738 179.595 176.870 -0.022 0.000 1.076 703 L CA 1.464 56.285 54.840 -0.032 0.000 0.758 703 L CB -1.174 40.871 42.059 -0.023 0.000 0.890 703 L HN 0.399 nan 8.230 nan 0.000 0.433 704 A N -0.751 122.053 122.820 -0.027 0.000 1.969 704 A HA -0.163 4.158 4.320 0.001 0.000 0.218 704 A C 2.041 179.604 177.584 -0.035 0.000 1.169 704 A CA 1.376 53.396 52.037 -0.028 0.000 0.635 704 A CB -0.261 18.722 19.000 -0.028 0.000 0.810 704 A HN 0.461 nan 8.150 nan 0.000 0.445 705 E N -1.405 118.775 120.200 -0.033 0.000 2.501 705 E HA 0.344 4.694 4.350 0.001 0.000 0.201 705 E C 1.284 177.883 176.600 -0.003 0.000 1.016 705 E CA 0.369 56.747 56.400 -0.037 0.000 0.920 705 E CB 0.360 30.044 29.700 -0.026 0.000 1.023 705 E HN 0.573 nan 8.360 nan 0.000 0.474 706 A N 0.366 123.195 122.820 0.015 0.000 2.085 706 A HA 0.295 4.616 4.320 0.001 0.000 0.208 706 A C 2.054 179.687 177.584 0.081 0.000 1.191 706 A CA 0.597 52.686 52.037 0.087 0.000 0.799 706 A CB 0.236 19.256 19.000 0.035 0.000 0.877 706 A HN 0.183 nan 8.150 nan 0.000 0.473 707 A N -0.024 122.806 122.820 0.017 0.000 2.235 707 A HA 0.048 4.369 4.320 0.001 0.000 0.208 707 A C 1.825 179.383 177.584 -0.043 0.000 1.172 707 A CA 1.298 53.337 52.037 0.004 0.000 0.786 707 A CB -0.407 18.591 19.000 -0.004 0.000 0.804 707 A HN 0.463 nan 8.150 nan 0.000 0.479 708 K N -0.018 120.309 120.400 -0.120 0.000 2.217 708 K HA -0.084 4.237 4.320 0.001 0.000 0.202 708 K C -0.210 176.183 176.600 -0.345 0.000 1.051 708 K CA 0.743 56.872 56.287 -0.263 0.000 0.952 708 K CB -0.084 32.187 32.500 -0.383 0.000 0.736 708 K HN 0.698 nan 8.250 nan 0.000 0.453 709 H N 0.854 119.918 119.070 -0.010 0.000 2.700 709 H HA 0.162 4.718 4.556 0.001 0.000 0.269 709 H C -2.229 173.099 175.328 -0.000 0.000 1.222 709 H CA -2.103 53.940 56.048 -0.008 0.000 1.254 709 H CB 1.301 31.055 29.762 -0.012 0.000 1.413 709 H HN 0.156 nan 8.280 nan 0.000 0.507 710 P HA 0.020 nan 4.420 nan 0.000 0.256 710 P C 0.575 177.909 177.300 0.056 0.000 1.384 710 P CA 0.260 63.395 63.100 0.059 0.000 0.879 710 P CB 0.205 31.922 31.700 0.028 0.000 1.403 711 D N -1.675 118.769 120.400 0.073 0.000 2.440 711 D HA 0.130 4.770 4.640 0.001 0.000 0.216 711 D C 0.910 177.229 176.300 0.033 0.000 1.150 711 D CA -0.176 53.853 54.000 0.048 0.000 0.832 711 D CB 0.264 41.089 40.800 0.042 0.000 0.992 711 D HN 0.035 nan 8.370 nan 0.000 0.502 712 M N 0.413 120.034 119.600 0.035 0.000 2.075 712 M HA 0.225 4.706 4.480 0.001 0.000 0.358 712 M C -1.618 174.690 176.300 0.014 0.000 0.855 712 M CA 0.179 55.477 55.300 -0.002 0.000 1.148 712 M CB 1.057 33.622 32.600 -0.059 0.000 2.163 712 M HN 0.044 nan 8.290 nan 0.000 0.734 713 L N -1.224 120.031 121.223 0.054 0.000 2.592 713 L HA 0.677 5.017 4.340 0.001 0.000 0.258 713 L C -1.307 175.630 176.870 0.113 0.000 0.926 713 L CA -0.531 54.371 54.840 0.104 0.000 0.885 713 L CB 0.624 42.753 42.059 0.117 0.000 1.380 713 L HN -0.058 nan 8.230 nan 0.000 0.415 714 T N -0.938 113.687 114.554 0.118 0.000 2.910 714 T HA 0.626 4.976 4.350 0.001 0.000 0.287 714 T C 0.676 175.427 174.700 0.085 0.000 1.050 714 T CA -0.152 61.999 62.100 0.084 0.000 1.011 714 T CB 1.700 70.598 68.868 0.049 0.000 1.195 714 T HN 0.773 nan 8.240 nan 0.000 0.540 715 S N -0.357 115.371 115.700 0.046 0.000 3.361 715 S HA -0.152 4.319 4.470 0.001 0.000 0.288 715 S C 0.505 175.116 174.600 0.018 0.000 1.269 715 S CA 0.618 58.830 58.200 0.020 0.000 0.976 715 S CB -1.817 61.382 63.200 -0.002 0.000 1.162 715 S HN 1.162 nan 8.310 nan 0.000 0.643 716 V N 0.722 120.669 119.914 0.055 0.000 2.399 716 V HA 0.405 4.525 4.120 0.001 0.000 0.245 716 V C 0.601 176.706 176.094 0.018 0.000 1.089 716 V CA 0.338 62.672 62.300 0.057 0.000 1.196 716 V CB -0.770 31.102 31.823 0.082 0.000 1.221 716 V HN 0.368 nan 8.190 nan 0.000 0.482 717 R N 4.660 125.161 120.500 0.003 0.000 2.740 717 R HA 0.601 4.941 4.340 0.001 0.000 0.273 717 R C -2.909 173.399 176.300 0.012 0.000 0.998 717 R CA -1.887 54.220 56.100 0.013 0.000 0.900 717 R CB 2.925 33.242 30.300 0.028 0.000 1.223 717 R HN 0.383 nan 8.270 nan 0.000 0.466 718 P HA 0.078 nan 4.420 nan 0.000 0.277 718 P C -1.178 176.148 177.300 0.042 0.000 1.240 718 P CA -0.431 62.688 63.100 0.030 0.000 0.798 718 P CB 0.832 32.553 31.700 0.034 0.000 0.979 719 N N 0.088 118.813 118.700 0.041 0.000 2.361 719 N HA 0.457 5.197 4.740 0.001 0.000 0.302 719 N C 0.664 176.202 175.510 0.047 0.000 1.074 719 N CA 0.549 53.628 53.050 0.048 0.000 0.850 719 N CB 1.586 40.096 38.487 0.038 0.000 1.228 719 N HN 0.751 nan 8.380 nan 0.000 0.491 720 G N 2.044 110.873 108.800 0.048 0.000 3.185 720 G HA2 -0.156 3.804 3.960 0.001 0.000 0.242 720 G HA3 -0.156 3.804 3.960 0.001 0.000 0.242 720 G C -1.239 173.686 174.900 0.042 0.000 1.754 720 G CA 0.023 45.147 45.100 0.039 0.000 1.225 720 G HN 0.580 nan 8.290 nan 0.000 0.539 721 L N 0.065 121.317 121.223 0.049 0.000 2.491 721 L HA 0.844 5.184 4.340 0.001 0.000 0.254 721 L C -0.395 176.514 176.870 0.065 0.000 1.048 721 L CA -0.716 54.154 54.840 0.050 0.000 0.855 721 L CB 1.990 44.075 42.059 0.043 0.000 1.466 721 L HN 0.746 nan 8.230 nan 0.000 0.409 722 E N -0.476 119.763 120.200 0.065 0.000 2.281 722 E HA 0.362 4.712 4.350 0.001 0.000 0.257 722 E C -1.439 175.221 176.600 0.099 0.000 0.971 722 E CA -0.692 55.757 56.400 0.082 0.000 0.839 722 E CB 1.210 30.952 29.700 0.070 0.000 1.238 722 E HN 0.460 nan 8.360 nan 0.000 0.412 723 D N 0.947 121.430 120.400 0.138 0.000 2.357 723 D HA 0.116 4.756 4.640 0.001 0.000 0.265 723 D C -0.420 175.985 176.300 0.175 0.000 1.334 723 D CA 0.381 54.496 54.000 0.190 0.000 0.984 723 D CB 0.064 41.027 40.800 0.272 0.000 1.077 723 D HN 0.371 nan 8.370 nan 0.000 0.514 724 T N 0.751 115.351 114.554 0.076 0.000 2.816 724 T HA 0.551 4.901 4.350 0.001 0.000 0.282 724 T C -2.492 172.113 174.700 -0.159 0.000 0.993 724 T CA -1.758 60.321 62.100 -0.035 0.000 0.994 724 T CB 1.476 70.327 68.868 -0.029 0.000 1.025 724 T HN -0.032 nan 8.240 nan 0.000 0.529 725 P HA 0.446 nan 4.420 nan 0.000 0.282 725 P C -1.265 176.022 177.300 -0.021 0.000 1.259 725 P CA -0.696 62.130 63.100 -0.457 0.000 0.826 725 P CB 0.570 31.823 31.700 -0.745 0.000 1.064 726 Q N 0.275 120.202 119.800 0.211 0.000 2.305 726 Q HA 0.413 4.753 4.340 0.001 0.000 0.271 726 Q C -1.386 174.853 176.000 0.397 0.000 1.046 726 Q CA -0.624 55.368 55.803 0.315 0.000 0.798 726 Q CB 1.989 30.812 28.738 0.142 0.000 1.286 726 Q HN 0.331 nan 8.270 nan 0.000 0.435 727 F N 2.955 122.929 119.950 0.041 0.000 2.471 727 F HA 0.242 4.770 4.527 0.001 0.000 0.365 727 F C -0.089 175.550 175.800 -0.267 0.000 1.095 727 F CA -0.015 57.718 58.000 -0.445 0.000 1.174 727 F CB 0.421 39.060 39.000 -0.602 0.000 1.105 727 F HN 0.267 nan 8.300 nan 0.000 0.535 728 K N 7.280 127.311 120.400 -0.615 0.000 2.274 728 K HA 0.556 4.876 4.320 0.001 0.000 0.262 728 K C -1.457 174.806 176.600 -0.562 0.000 0.961 728 K CA -0.368 55.668 56.287 -0.419 0.000 0.833 728 K CB 0.686 33.055 32.500 -0.218 0.000 1.102 728 K HN 0.649 nan 8.250 nan 0.000 0.436 729 I N 3.572 123.916 120.570 -0.376 0.000 2.354 729 I HA 0.210 4.380 4.170 0.001 0.000 0.286 729 I C -0.717 175.323 176.117 -0.129 0.000 1.007 729 I CA -0.878 60.256 61.300 -0.275 0.000 1.167 729 I CB 1.502 39.388 38.000 -0.189 0.000 1.320 729 I HN 0.643 nan 8.210 nan 0.000 0.458 730 D N 7.774 128.111 120.400 -0.105 0.000 2.373 730 D HA 0.278 4.918 4.640 0.001 0.000 0.227 730 D C -0.263 176.032 176.300 -0.008 0.000 1.091 730 D CA -0.452 53.516 54.000 -0.053 0.000 0.840 730 D CB 0.982 41.746 40.800 -0.059 0.000 1.060 730 D HN 0.159 nan 8.370 nan 0.000 0.502 731 I N 3.474 124.044 120.570 0.001 0.000 2.421 731 I HA 0.038 4.209 4.170 0.001 0.000 0.291 731 I C 0.792 176.901 176.117 -0.013 0.000 1.089 731 I CA -0.260 61.044 61.300 0.008 0.000 1.354 731 I CB 0.199 38.170 38.000 -0.049 0.000 1.413 731 I HN 0.395 nan 8.210 nan 0.000 0.513 732 D N 7.482 127.894 120.400 0.019 0.000 2.429 732 D HA -0.040 4.601 4.640 0.001 0.000 0.253 732 D C 1.276 177.559 176.300 -0.028 0.000 1.294 732 D CA 0.074 54.078 54.000 0.006 0.000 1.063 732 D CB 0.717 41.538 40.800 0.034 0.000 1.096 732 D HN 0.406 nan 8.370 nan 0.000 0.516 733 Q N 2.582 122.350 119.800 -0.052 0.000 1.998 733 Q HA -0.238 4.103 4.340 0.001 0.000 0.209 733 Q C 1.589 177.555 176.000 -0.056 0.000 1.002 733 Q CA 1.545 57.303 55.803 -0.074 0.000 0.858 733 Q CB -0.070 28.634 28.738 -0.057 0.000 0.932 733 Q HN 0.666 nan 8.270 nan 0.000 0.416 734 E N 0.501 120.681 120.200 -0.032 0.000 2.086 734 E HA -0.239 4.112 4.350 0.001 0.000 0.205 734 E C 2.147 178.739 176.600 -0.013 0.000 1.027 734 E CA 1.438 57.826 56.400 -0.020 0.000 0.830 734 E CB -0.102 29.591 29.700 -0.011 0.000 0.751 734 E HN 0.275 nan 8.360 nan 0.000 0.456 735 K N 0.007 120.407 120.400 -0.000 0.000 1.985 735 K HA -0.132 4.188 4.320 0.001 0.000 0.210 735 K C 2.244 178.856 176.600 0.019 0.000 1.047 735 K CA 1.082 57.381 56.287 0.021 0.000 0.932 735 K CB -0.224 32.303 32.500 0.046 0.000 0.716 735 K HN 0.072 nan 8.250 nan 0.000 0.439 736 A N 1.302 124.115 122.820 -0.013 0.000 1.940 736 A HA -0.254 4.066 4.320 0.001 0.000 0.219 736 A C 2.051 179.569 177.584 -0.109 0.000 1.176 736 A CA 1.533 53.504 52.037 -0.109 0.000 0.631 736 A CB -0.510 18.265 19.000 -0.376 0.000 0.814 736 A HN 0.360 nan 8.150 nan 0.000 0.446 737 Q N -1.116 118.632 119.800 -0.087 0.000 2.119 737 Q HA -0.071 4.270 4.340 0.001 0.000 0.201 737 Q C 2.379 178.359 176.000 -0.034 0.000 0.972 737 Q CA 1.156 56.920 55.803 -0.065 0.000 0.847 737 Q CB -0.295 28.411 28.738 -0.054 0.000 0.903 737 Q HN 0.702 nan 8.270 nan 0.000 0.433 738 A N 0.380 123.189 122.820 -0.018 0.000 1.969 738 A HA -0.117 4.203 4.320 0.001 0.000 0.218 738 A C 1.860 179.448 177.584 0.007 0.000 1.169 738 A CA 0.863 52.898 52.037 -0.003 0.000 0.635 738 A CB -0.402 18.600 19.000 0.003 0.000 0.810 738 A HN 0.326 nan 8.150 nan 0.000 0.445 739 L N -0.949 120.283 121.223 0.016 0.000 2.552 739 L HA 0.112 4.453 4.340 0.001 0.000 0.227 739 L C 1.477 178.360 176.870 0.021 0.000 1.146 739 L CA 0.597 55.457 54.840 0.033 0.000 0.858 739 L CB -0.208 41.894 42.059 0.072 0.000 0.969 739 L HN 0.583 nan 8.230 nan 0.000 0.451 740 G N 0.558 109.357 108.800 -0.002 0.000 2.289 740 G HA2 -0.214 3.746 3.960 0.001 0.000 0.280 740 G HA3 -0.214 3.746 3.960 0.001 0.000 0.280 740 G C -0.292 174.600 174.900 -0.013 0.000 1.089 740 G CA 0.117 45.212 45.100 -0.008 0.000 0.939 740 G HN 0.103 nan 8.290 nan 0.000 0.499 741 V N 0.143 120.029 119.914 -0.045 0.000 2.487 741 V HA 0.671 4.791 4.120 0.001 0.000 0.298 741 V C 0.893 176.913 176.094 -0.123 0.000 1.028 741 V CA -0.244 62.014 62.300 -0.069 0.000 0.860 741 V CB 1.819 33.597 31.823 -0.075 0.000 0.991 741 V HN 0.589 nan 8.190 nan 0.000 0.427 742 S N 2.855 118.504 115.700 -0.085 0.000 2.533 742 S HA 0.198 4.669 4.470 0.001 0.000 0.282 742 S C 1.163 175.688 174.600 -0.126 0.000 1.304 742 S CA -0.440 57.711 58.200 -0.082 0.000 1.063 742 S CB 0.252 63.429 63.200 -0.038 0.000 0.881 742 S HN 0.476 nan 8.310 nan 0.000 0.493 743 I N 5.101 125.597 120.570 -0.124 0.000 2.315 743 I HA -0.086 4.084 4.170 0.001 0.000 0.248 743 I C 2.174 178.241 176.117 -0.082 0.000 1.117 743 I CA 0.923 62.139 61.300 -0.140 0.000 1.404 743 I CB -0.698 37.237 38.000 -0.109 0.000 1.071 743 I HN 0.512 nan 8.210 nan 0.000 0.419 744 N N 1.032 119.705 118.700 -0.045 0.000 2.094 744 N HA -0.200 4.541 4.740 0.001 0.000 0.191 744 N C 1.492 177.005 175.510 0.006 0.000 1.023 744 N CA 1.536 54.580 53.050 -0.010 0.000 0.857 744 N CB -0.383 38.104 38.487 0.000 0.000 1.013 744 N HN 0.378 nan 8.380 nan 0.000 0.426 745 D N 0.133 120.529 120.400 -0.007 0.000 2.077 745 D HA -0.025 4.615 4.640 0.001 0.000 0.196 745 D C 2.058 178.385 176.300 0.045 0.000 0.986 745 D CA 0.653 54.667 54.000 0.024 0.000 0.829 745 D CB -0.308 40.501 40.800 0.015 0.000 0.983 745 D HN 0.220 nan 8.370 nan 0.000 0.453 746 I N 0.966 121.509 120.570 -0.045 0.000 2.113 746 I HA -0.335 3.836 4.170 0.001 0.000 0.242 746 I C 2.064 178.285 176.117 0.173 0.000 1.064 746 I CA 1.066 62.336 61.300 -0.049 0.000 1.320 746 I CB -0.385 37.376 38.000 -0.399 0.000 1.028 746 I HN 0.030 nan 8.210 nan 0.000 0.406 747 N N 0.605 119.352 118.700 0.079 0.000 2.043 747 N HA -0.172 4.568 4.740 0.001 0.000 0.193 747 N C 1.990 177.563 175.510 0.105 0.000 1.037 747 N CA 2.425 55.532 53.050 0.095 0.000 0.851 747 N CB -0.887 37.627 38.487 0.045 0.000 1.027 747 N HN 0.507 nan 8.380 nan 0.000 0.422 748 T N -1.242 113.365 114.554 0.089 0.000 2.759 748 T HA -0.147 4.203 4.350 0.001 0.000 0.269 748 T C 1.980 176.734 174.700 0.089 0.000 1.042 748 T CA 2.003 64.152 62.100 0.081 0.000 1.140 748 T CB -0.999 67.914 68.868 0.075 0.000 0.864 748 T HN 0.396 nan 8.240 nan 0.000 0.455 749 T N -0.468 114.173 114.554 0.144 0.000 3.055 749 T HA 0.177 4.527 4.350 0.001 0.000 0.265 749 T C 1.752 176.468 174.700 0.027 0.000 1.111 749 T CA 0.670 62.854 62.100 0.141 0.000 1.118 749 T CB -0.372 68.671 68.868 0.291 0.000 0.909 749 T HN 0.333 nan 8.240 nan 0.000 0.501 750 L N 1.408 122.685 121.223 0.091 0.000 2.145 750 L HA 0.476 4.816 4.340 0.001 0.000 0.201 750 L C 2.658 179.548 176.870 0.034 0.000 1.075 750 L CA 1.661 56.485 54.840 -0.025 0.000 0.773 750 L CB -1.067 40.968 42.059 -0.040 0.000 0.936 750 L HN 0.250 nan 8.230 nan 0.000 0.451 751 G N -0.334 108.483 108.800 0.028 0.000 2.491 751 G HA2 -0.328 3.632 3.960 0.001 0.000 0.218 751 G HA3 -0.328 3.632 3.960 0.001 0.000 0.218 751 G C 1.512 176.419 174.900 0.012 0.000 1.180 751 G CA 0.863 45.972 45.100 0.014 0.000 0.774 751 G HN 0.612 nan 8.290 nan 0.000 0.562 752 A N 0.342 123.166 122.820 0.006 0.000 2.119 752 A HA 0.539 4.860 4.320 0.001 0.000 0.216 752 A C 2.576 180.114 177.584 -0.077 0.000 1.152 752 A CA 1.750 53.790 52.037 0.005 0.000 0.708 752 A CB -0.288 18.734 19.000 0.036 0.000 0.805 752 A HN 0.675 nan 8.150 nan 0.000 0.460 753 A N -1.471 121.223 122.820 -0.210 0.000 1.887 753 A HA 0.104 4.424 4.320 0.001 0.000 0.212 753 A C 1.740 179.033 177.584 -0.484 0.000 1.198 753 A CA 0.987 52.698 52.037 -0.543 0.000 0.628 753 A CB -0.541 17.705 19.000 -1.257 0.000 0.847 753 A HN 0.664 nan 8.150 nan 0.000 0.449 754 W N -1.147 119.973 121.300 -0.299 0.000 2.872 754 W HA 0.342 5.002 4.660 0.001 0.000 0.266 754 W C 2.069 178.515 176.519 -0.122 0.000 1.276 754 W CA 0.569 57.793 57.345 -0.202 0.000 1.471 754 W CB 0.211 29.543 29.460 -0.213 0.000 1.071 754 W HN 0.352 nan 8.180 nan 0.000 0.619 755 G N -0.735 108.114 108.800 0.082 0.000 2.759 755 G HA2 0.445 4.406 3.960 0.001 0.000 0.208 755 G HA3 0.445 4.406 3.960 0.001 0.000 0.208 755 G C 0.622 175.523 174.900 0.002 0.000 1.076 755 G CA 0.320 45.436 45.100 0.026 0.000 0.789 755 G HN 0.343 nan 8.290 nan 0.000 0.546 756 G N -0.838 107.975 108.800 0.021 0.000 2.705 756 G HA2 0.248 4.208 3.960 0.001 0.000 0.686 756 G HA3 0.248 4.208 3.960 0.001 0.000 0.686 756 G C -0.515 174.445 174.900 0.099 0.000 1.285 756 G CA 0.027 45.163 45.100 0.062 0.000 0.800 756 G HN 1.046 nan 8.290 nan 0.000 0.611 757 S N -0.414 115.404 115.700 0.198 0.000 2.526 757 S HA 0.657 5.128 4.470 0.001 0.000 0.293 757 S C -0.573 174.307 174.600 0.467 0.000 1.092 757 S CA -0.548 57.808 58.200 0.260 0.000 0.980 757 S CB 1.280 64.583 63.200 0.171 0.000 1.048 757 S HN 1.381 nan 8.310 nan 0.000 0.483 758 Y N 5.030 125.538 120.300 0.346 0.000 2.377 758 Y HA 0.439 4.989 4.550 0.001 0.000 0.330 758 Y C 0.467 176.438 175.900 0.119 0.000 1.108 758 Y CA 0.349 58.601 58.100 0.253 0.000 1.308 758 Y CB 0.402 39.013 38.460 0.251 0.000 1.216 758 Y HN 0.471 nan 8.280 nan 0.000 0.518 759 V N 3.536 123.220 119.914 -0.384 0.000 5.082 759 V HA 0.244 4.364 4.120 0.001 0.000 0.154 759 V C 0.383 176.209 176.094 -0.447 0.000 0.918 759 V CA -0.690 61.444 62.300 -0.276 0.000 1.435 759 V CB -0.399 31.367 31.823 -0.095 0.000 2.319 759 V HN 0.677 nan 8.190 nan 0.000 0.393 760 N N 0.727 119.258 118.700 -0.280 0.000 2.538 760 N HA 0.292 5.033 4.740 0.001 0.000 0.292 760 N C -1.394 173.996 175.510 -0.201 0.000 1.262 760 N CA -0.321 52.614 53.050 -0.190 0.000 0.976 760 N CB 0.952 39.425 38.487 -0.023 0.000 1.161 760 N HN 0.547 nan 8.380 nan 0.000 0.598 761 D N 1.550 121.922 120.400 -0.047 0.000 2.446 761 D HA 0.160 4.800 4.640 0.001 0.000 0.251 761 D C -0.243 176.123 176.300 0.111 0.000 1.137 761 D CA -0.234 53.778 54.000 0.019 0.000 0.890 761 D CB 0.624 41.426 40.800 0.004 0.000 1.071 761 D HN 0.375 nan 8.370 nan 0.000 0.528 762 F N 0.087 120.041 119.950 0.007 0.000 2.435 762 F HA 0.500 5.028 4.527 0.001 0.000 0.316 762 F C -0.231 175.580 175.800 0.018 0.000 1.220 762 F CA -0.667 57.376 58.000 0.072 0.000 1.241 762 F CB 0.577 39.637 39.000 0.101 0.000 1.234 762 F HN 0.057 nan 8.300 nan 0.000 0.569 763 I N 1.802 122.204 120.570 -0.280 0.000 2.464 763 I HA 0.155 4.326 4.170 0.001 0.000 0.277 763 I C -1.267 174.646 176.117 -0.340 0.000 1.040 763 I CA -0.481 60.583 61.300 -0.392 0.000 1.153 763 I CB 1.120 39.036 38.000 -0.141 0.000 1.274 763 I HN 0.607 nan 8.210 nan 0.000 0.469 764 D N 6.261 126.305 120.400 -0.593 0.000 2.339 764 D HA 0.305 4.946 4.640 0.001 0.000 0.241 764 D C 0.745 176.988 176.300 -0.095 0.000 1.183 764 D CA 0.010 53.897 54.000 -0.188 0.000 0.859 764 D CB 0.435 41.180 40.800 -0.092 0.000 1.067 764 D HN 0.465 nan 8.370 nan 0.000 0.484 765 R N 2.634 123.121 120.500 -0.022 0.000 3.922 765 R HA -0.196 4.145 4.340 0.001 0.000 0.447 765 R C 0.943 177.225 176.300 -0.029 0.000 1.035 765 R CA 0.675 56.772 56.100 -0.005 0.000 1.289 765 R CB -1.963 28.350 30.300 0.021 0.000 1.906 765 R HN 0.779 nan 8.270 nan 0.000 0.540 766 G N 0.408 109.174 108.800 -0.057 0.000 2.151 766 G HA2 -0.219 3.741 3.960 0.001 0.000 0.140 766 G HA3 -0.219 3.741 3.960 0.001 0.000 0.140 766 G C -0.227 174.627 174.900 -0.077 0.000 1.020 766 G CA -0.020 45.045 45.100 -0.058 0.000 0.688 766 G HN 0.351 nan 8.290 nan 0.000 0.500 767 R N 0.391 120.824 120.500 -0.112 0.000 2.510 767 R HA 0.542 4.883 4.340 0.001 0.000 0.287 767 R C 0.171 176.352 176.300 -0.198 0.000 1.084 767 R CA -0.146 55.879 56.100 -0.124 0.000 0.934 767 R CB 1.895 32.132 30.300 -0.105 0.000 1.201 767 R HN 0.854 nan 8.270 nan 0.000 0.431 768 V N 2.218 122.028 119.914 -0.174 0.000 2.740 768 V HA 0.363 4.483 4.120 0.001 0.000 0.303 768 V C -0.690 175.262 176.094 -0.236 0.000 1.054 768 V CA 0.276 62.440 62.300 -0.228 0.000 1.106 768 V CB 0.718 32.468 31.823 -0.121 0.000 0.957 768 V HN 0.845 nan 8.190 nan 0.000 0.486 769 K N 3.524 123.701 120.400 -0.372 0.000 2.439 769 K HA 0.595 4.915 4.320 0.001 0.000 0.260 769 K C -1.082 175.503 176.600 -0.024 0.000 1.032 769 K CA -1.076 55.099 56.287 -0.187 0.000 0.882 769 K CB 2.060 34.455 32.500 -0.174 0.000 1.420 769 K HN 0.718 nan 8.250 nan 0.000 0.455 770 K N 0.796 121.241 120.400 0.076 0.000 2.144 770 K HA 0.360 4.681 4.320 0.001 0.000 0.270 770 K C -0.598 175.946 176.600 -0.092 0.000 1.005 770 K CA -0.759 55.531 56.287 0.005 0.000 0.932 770 K CB 1.127 33.620 32.500 -0.012 0.000 1.021 770 K HN 0.131 nan 8.250 nan 0.000 0.462 771 V N 3.313 123.081 119.914 -0.243 0.000 2.347 771 V HA 0.191 4.312 4.120 0.001 0.000 0.280 771 V C -1.148 174.765 176.094 -0.302 0.000 1.021 771 V CA -0.782 61.368 62.300 -0.249 0.000 0.847 771 V CB 0.034 31.790 31.823 -0.111 0.000 0.990 771 V HN 0.537 nan 8.190 nan 0.000 0.444 772 Y N 3.321 123.603 120.300 -0.031 0.000 2.334 772 Y HA 0.532 5.083 4.550 0.001 0.000 0.336 772 Y C 0.123 176.012 175.900 -0.018 0.000 0.960 772 Y CA -0.869 57.245 58.100 0.023 0.000 1.164 772 Y CB 1.955 40.460 38.460 0.075 0.000 1.155 772 Y HN 0.369 nan 8.280 nan 0.000 0.478 773 V N 6.134 126.182 119.914 0.223 0.000 2.407 773 V HA 0.538 4.659 4.120 0.001 0.000 0.278 773 V C -0.237 175.988 176.094 0.218 0.000 1.037 773 V CA -0.453 61.950 62.300 0.172 0.000 0.900 773 V CB 1.294 33.194 31.823 0.128 0.000 0.983 773 V HN 0.861 nan 8.190 nan 0.000 0.459 774 M N 4.329 124.099 119.600 0.283 0.000 2.426 774 M HA 0.327 4.808 4.480 0.001 0.000 0.289 774 M C -0.282 176.172 176.300 0.257 0.000 1.168 774 M CA -0.324 55.132 55.300 0.259 0.000 0.933 774 M CB 2.180 35.000 32.600 0.367 0.000 1.750 774 M HN 0.643 nan 8.290 nan 0.000 0.494 775 S N 2.817 118.535 115.700 0.030 0.000 2.573 775 S HA -0.011 4.460 4.470 0.001 0.000 0.297 775 S C 0.081 174.643 174.600 -0.065 0.000 1.280 775 S CA 0.400 58.630 58.200 0.050 0.000 1.061 775 S CB 0.330 63.480 63.200 -0.084 0.000 0.812 775 S HN 0.788 nan 8.310 nan 0.000 0.500 776 E N 2.764 122.972 120.200 0.013 0.000 2.461 776 E HA 0.101 4.451 4.350 0.001 0.000 0.263 776 E C 1.489 177.882 176.600 -0.345 0.000 1.143 776 E CA 0.342 56.611 56.400 -0.219 0.000 0.994 776 E CB 0.390 30.139 29.700 0.082 0.000 0.973 776 E HN 0.828 nan 8.360 nan 0.000 0.457 777 A N 4.530 126.991 122.820 -0.599 0.000 1.849 777 A HA -0.283 4.037 4.320 0.001 0.000 0.217 777 A C 1.857 179.232 177.584 -0.348 0.000 1.202 777 A CA 2.530 54.263 52.037 -0.507 0.000 0.629 777 A CB -0.669 18.033 19.000 -0.496 0.000 0.834 777 A HN 0.784 nan 8.150 nan 0.000 0.447 778 K N -1.207 118.964 120.400 -0.381 0.000 2.160 778 K HA -0.196 4.125 4.320 0.001 0.000 0.206 778 K C 0.869 177.193 176.600 -0.460 0.000 1.047 778 K CA 1.735 57.744 56.287 -0.463 0.000 0.930 778 K CB -0.586 31.550 32.500 -0.607 0.000 0.720 778 K HN 0.616 nan 8.250 nan 0.000 0.450 779 Y N 2.081 122.251 120.300 -0.217 0.000 2.547 779 Y HA 0.162 4.712 4.550 0.001 0.000 0.325 779 Y C 0.649 176.388 175.900 -0.269 0.000 1.165 779 Y CA -0.351 57.623 58.100 -0.209 0.000 1.300 779 Y CB -0.115 38.191 38.460 -0.256 0.000 1.126 779 Y HN 0.181 nan 8.280 nan 0.000 0.513 780 R N -1.926 118.412 120.500 -0.269 0.000 2.481 780 R HA 0.242 4.582 4.340 0.001 0.000 0.396 780 R C -0.287 175.939 176.300 -0.123 0.000 0.950 780 R CA -0.011 55.710 56.100 -0.631 0.000 1.095 780 R CB -0.551 29.244 30.300 -0.843 0.000 1.472 780 R HN 0.148 nan 8.270 nan 0.000 0.628 781 M N 0.196 119.797 119.600 0.002 0.000 2.730 781 M HA 0.382 4.862 4.480 0.001 0.000 0.258 781 M C 0.279 176.622 176.300 0.072 0.000 1.279 781 M CA 0.503 55.820 55.300 0.029 0.000 1.183 781 M CB 0.256 32.826 32.600 -0.049 0.000 1.291 781 M HN 0.200 nan 8.290 nan 0.000 0.518 782 L N -1.074 120.196 121.223 0.078 0.000 2.376 782 L HA 0.341 4.681 4.340 0.001 0.000 0.258 782 L C -1.737 175.063 176.870 -0.117 0.000 1.013 782 L CA -1.911 52.919 54.840 -0.017 0.000 0.822 782 L CB 1.993 44.048 42.059 -0.006 0.000 1.388 782 L HN -0.192 nan 8.230 nan 0.000 0.413 783 P HA -0.243 nan 4.420 nan 0.000 0.214 783 P C 0.660 177.863 177.300 -0.161 0.000 1.164 783 P CA 1.543 64.297 63.100 -0.576 0.000 0.942 783 P CB 0.122 31.644 31.700 -0.296 0.000 0.791 784 D N -1.035 119.353 120.400 -0.021 0.000 2.354 784 D HA -0.138 4.502 4.640 0.001 0.000 0.216 784 D C 1.027 177.392 176.300 0.109 0.000 0.970 784 D CA 0.793 54.825 54.000 0.053 0.000 0.905 784 D CB -0.467 40.359 40.800 0.043 0.000 0.903 784 D HN 0.293 nan 8.370 nan 0.000 0.508 785 D N 0.641 121.137 120.400 0.159 0.000 2.403 785 D HA -0.095 4.546 4.640 0.001 0.000 0.227 785 D C 2.066 178.663 176.300 0.497 0.000 0.995 785 D CA 0.072 54.236 54.000 0.275 0.000 0.928 785 D CB 0.325 41.318 40.800 0.323 0.000 0.887 785 D HN 0.286 nan 8.370 nan 0.000 0.529 786 I N 0.734 121.561 120.570 0.428 0.000 2.133 786 I HA -0.135 4.036 4.170 0.001 0.000 0.238 786 I C 2.348 178.683 176.117 0.363 0.000 1.074 786 I CA 1.042 62.613 61.300 0.452 0.000 1.342 786 I CB -1.398 36.706 38.000 0.173 0.000 1.053 786 I HN -0.037 nan 8.210 nan 0.000 0.404 787 G N 0.840 109.756 108.800 0.194 0.000 3.135 787 G HA2 -0.114 3.846 3.960 0.001 0.000 0.208 787 G HA3 -0.114 3.846 3.960 0.001 0.000 0.208 787 G C 0.711 175.675 174.900 0.106 0.000 1.212 787 G CA 0.126 45.289 45.100 0.104 0.000 0.928 787 G HN 0.367 nan 8.290 nan 0.000 0.500 788 D N -0.724 119.718 120.400 0.069 0.000 2.366 788 D HA 0.035 4.675 4.640 0.001 0.000 0.205 788 D C 0.237 176.515 176.300 -0.036 0.000 1.022 788 D CA -0.143 53.820 54.000 -0.061 0.000 0.868 788 D CB 0.200 40.793 40.800 -0.346 0.000 0.953 788 D HN 0.452 nan 8.370 nan 0.000 0.514 789 W N 0.878 122.308 121.300 0.217 0.000 2.331 789 W HA 0.368 5.029 4.660 0.001 0.000 0.306 789 W C -0.313 176.405 176.519 0.332 0.000 1.162 789 W CA -0.643 56.855 57.345 0.254 0.000 1.232 789 W CB 0.447 29.952 29.460 0.075 0.000 1.235 789 W HN -0.212 nan 8.180 nan 0.000 0.479 790 Y N 2.162 122.740 120.300 0.463 0.000 2.409 790 Y HA 0.578 5.128 4.550 0.001 0.000 0.343 790 Y C 0.079 176.181 175.900 0.337 0.000 0.973 790 Y CA -1.173 57.124 58.100 0.327 0.000 1.064 790 Y CB 1.589 40.148 38.460 0.165 0.000 1.207 790 Y HN -0.009 nan 8.280 nan 0.000 0.452 791 V N 3.164 123.304 119.914 0.377 0.000 2.815 791 V HA 0.528 4.649 4.120 0.001 0.000 0.314 791 V C -0.425 175.800 176.094 0.219 0.000 1.064 791 V CA -1.315 61.154 62.300 0.282 0.000 0.952 791 V CB 1.864 33.814 31.823 0.212 0.000 1.020 791 V HN 0.686 nan 8.190 nan 0.000 0.439 792 R N 1.368 121.966 120.500 0.164 0.000 2.368 792 R HA 0.740 5.081 4.340 0.001 0.000 0.302 792 R C -0.185 176.167 176.300 0.086 0.000 1.002 792 R CA -0.071 56.103 56.100 0.123 0.000 0.929 792 R CB 1.439 31.803 30.300 0.107 0.000 1.073 792 R HN 0.965 nan 8.270 nan 0.000 0.464 793 A N 2.628 125.493 122.820 0.075 0.000 2.326 793 A HA 0.571 4.892 4.320 0.001 0.000 0.303 793 A C 0.850 178.455 177.584 0.035 0.000 1.164 793 A CA 0.113 52.181 52.037 0.051 0.000 0.929 793 A CB 0.588 19.622 19.000 0.057 0.000 1.363 793 A HN 0.874 nan 8.150 nan 0.000 0.498 794 A N -0.674 122.160 122.820 0.024 0.000 1.972 794 A HA -0.105 4.215 4.320 0.001 0.000 0.219 794 A C 1.423 179.019 177.584 0.019 0.000 1.169 794 A CA 2.365 54.412 52.037 0.017 0.000 0.635 794 A CB -1.009 17.996 19.000 0.009 0.000 0.810 794 A HN 0.887 nan 8.150 nan 0.000 0.446 795 D N -2.020 118.394 120.400 0.023 0.000 2.154 795 D HA 0.341 4.981 4.640 0.001 0.000 0.211 795 D C 1.189 177.505 176.300 0.026 0.000 0.977 795 D CA 1.124 55.138 54.000 0.023 0.000 0.869 795 D CB -0.485 40.329 40.800 0.023 0.000 1.022 795 D HN 0.742 nan 8.370 nan 0.000 0.461 796 G N -0.241 108.580 108.800 0.035 0.000 2.519 796 G HA2 0.240 4.201 3.960 0.001 0.000 0.229 796 G HA3 0.240 4.201 3.960 0.001 0.000 0.229 796 G C -1.100 173.827 174.900 0.045 0.000 1.333 796 G CA -0.450 44.673 45.100 0.039 0.000 0.939 796 G HN 0.477 nan 8.290 nan 0.000 0.501 797 Q N -0.093 119.741 119.800 0.058 0.000 2.418 797 Q HA 0.843 5.183 4.340 0.001 0.000 0.282 797 Q C -0.032 176.034 176.000 0.110 0.000 1.044 797 Q CA -1.272 54.574 55.803 0.071 0.000 0.813 797 Q CB 1.121 29.891 28.738 0.054 0.000 1.428 797 Q HN 0.070 nan 8.270 nan 0.000 0.402 798 M N 0.941 120.628 119.600 0.145 0.000 2.202 798 M HA 0.630 5.110 4.480 0.001 0.000 0.316 798 M C -0.359 176.123 176.300 0.303 0.000 1.138 798 M CA -0.724 54.730 55.300 0.256 0.000 1.151 798 M CB 0.562 33.345 32.600 0.305 0.000 1.422 798 M HN 0.635 nan 8.290 nan 0.000 0.471 799 V N 0.867 120.968 119.914 0.312 0.000 2.851 799 V HA 0.475 4.595 4.120 0.001 0.000 0.307 799 V C -2.521 173.304 176.094 -0.448 0.000 1.129 799 V CA -1.507 60.822 62.300 0.049 0.000 0.932 799 V CB 2.202 34.075 31.823 0.083 0.000 1.024 799 V HN 0.681 nan 8.190 nan 0.000 0.426 800 P HA 0.331 nan 4.420 nan 0.000 0.277 800 P C 0.528 177.319 177.300 -0.849 0.000 1.240 800 P CA -0.208 62.269 63.100 -1.037 0.000 0.798 800 P CB 1.105 32.409 31.700 -0.659 0.000 0.979 801 F N 1.042 120.538 119.950 -0.758 0.000 2.171 801 F HA -0.221 4.306 4.527 0.001 0.000 0.300 801 F C 2.638 177.976 175.800 -0.771 0.000 1.090 801 F CA 2.356 59.814 58.000 -0.904 0.000 1.293 801 F CB -0.501 38.394 39.000 -0.175 0.000 1.013 801 F HN 0.311 nan 8.300 nan 0.000 0.486 802 S N -0.137 115.406 115.700 -0.262 0.000 2.442 802 S HA -0.144 4.327 4.470 0.001 0.000 0.236 802 S C 2.135 176.614 174.600 -0.202 0.000 1.007 802 S CA 0.662 58.769 58.200 -0.154 0.000 0.965 802 S CB -0.785 62.371 63.200 -0.073 0.000 0.773 802 S HN 0.286 nan 8.310 nan 0.000 0.504 803 A N 1.764 124.382 122.820 -0.337 0.000 1.972 803 A HA 0.157 4.477 4.320 0.001 0.000 0.219 803 A C 1.657 179.160 177.584 -0.136 0.000 1.169 803 A CA 1.122 53.022 52.037 -0.228 0.000 0.635 803 A CB -0.778 18.083 19.000 -0.231 0.000 0.810 803 A HN 0.947 nan 8.150 nan 0.000 0.446 804 F N -1.080 118.826 119.950 -0.073 0.000 2.764 804 F HA 0.503 5.030 4.527 0.001 0.000 0.310 804 F C 0.162 175.926 175.800 -0.061 0.000 1.124 804 F CA -0.213 57.736 58.000 -0.084 0.000 1.252 804 F CB 0.008 38.926 39.000 -0.137 0.000 1.010 804 F HN 0.099 nan 8.300 nan 0.000 0.518 805 S N -0.124 115.658 115.700 0.136 0.000 2.548 805 S HA 0.655 5.126 4.470 0.001 0.000 0.286 805 S C -0.691 173.928 174.600 0.032 0.000 1.098 805 S CA -0.545 57.742 58.200 0.145 0.000 0.930 805 S CB 1.847 65.177 63.200 0.217 0.000 1.070 805 S HN 0.270 nan 8.310 nan 0.000 0.480 806 S N 0.998 116.694 115.700 -0.008 0.000 2.687 806 S HA 0.800 5.271 4.470 0.001 0.000 0.283 806 S C -0.551 173.950 174.600 -0.164 0.000 1.170 806 S CA -0.113 58.046 58.200 -0.069 0.000 1.008 806 S CB 0.863 64.022 63.200 -0.068 0.000 1.026 806 S HN 1.788 nan 8.310 nan 0.000 0.541 807 S N 2.713 118.274 115.700 -0.233 0.000 2.680 807 S HA 0.522 4.992 4.470 0.001 0.000 0.262 807 S C -0.977 173.345 174.600 -0.463 0.000 1.138 807 S CA -1.095 56.805 58.200 -0.500 0.000 1.072 807 S CB 0.494 63.403 63.200 -0.485 0.000 1.097 807 S HN 0.938 nan 8.310 nan 0.000 0.468 808 R N 1.607 121.816 120.500 -0.485 0.000 2.740 808 R HA 0.554 4.895 4.340 0.001 0.000 0.282 808 R C -1.487 174.673 176.300 -0.234 0.000 0.969 808 R CA -0.994 54.949 56.100 -0.262 0.000 0.918 808 R CB 1.258 31.493 30.300 -0.107 0.000 1.175 808 R HN 0.626 nan 8.270 nan 0.000 0.464 809 W N 3.382 124.663 121.300 -0.032 0.000 2.433 809 W HA 0.135 4.795 4.660 0.001 0.000 0.331 809 W C 0.372 176.909 176.519 0.029 0.000 1.110 809 W CA -0.071 57.281 57.345 0.011 0.000 1.450 809 W CB 0.793 30.279 29.460 0.044 0.000 1.348 809 W HN 0.709 nan 8.180 nan 0.000 0.415 810 E N 1.315 121.729 120.200 0.356 0.000 2.573 810 E HA 0.521 4.872 4.350 0.001 0.000 0.218 810 E C -1.076 175.692 176.600 0.280 0.000 0.777 810 E CA -0.870 55.729 56.400 0.332 0.000 0.970 810 E CB 1.279 31.119 29.700 0.232 0.000 1.666 810 E HN 0.329 nan 8.360 nan 0.000 0.384 811 Y N -1.265 119.102 120.300 0.112 0.000 2.833 811 Y HA 0.699 5.250 4.550 0.001 0.000 0.323 811 Y C 0.484 176.427 175.900 0.071 0.000 1.220 811 Y CA -0.091 58.063 58.100 0.091 0.000 1.174 811 Y CB 2.323 40.825 38.460 0.070 0.000 1.404 811 Y HN 0.804 nan 8.280 nan 0.000 0.607 812 G N -0.267 108.684 108.800 0.251 0.000 2.321 812 G HA2 0.334 4.294 3.960 0.001 0.000 0.298 812 G HA3 0.334 4.294 3.960 0.001 0.000 0.298 812 G C -1.957 172.988 174.900 0.075 0.000 1.385 812 G CA -0.767 44.396 45.100 0.105 0.000 0.856 812 G HN 0.477 nan 8.290 nan 0.000 0.584 813 S N 0.266 115.938 115.700 -0.047 0.000 2.478 813 S HA 0.740 5.211 4.470 0.001 0.000 0.312 813 S C -1.398 173.193 174.600 -0.016 0.000 1.094 813 S CA -1.308 56.874 58.200 -0.030 0.000 1.081 813 S CB 2.090 65.213 63.200 -0.129 0.000 1.007 813 S HN 0.442 nan 8.310 nan 0.000 0.475 814 P HA 0.110 nan 4.420 nan 0.000 0.235 814 P C 0.040 177.356 177.300 0.027 0.000 1.177 814 P CA 0.296 63.411 63.100 0.026 0.000 0.785 814 P CB 0.083 31.803 31.700 0.033 0.000 0.885 815 R N 0.836 121.353 120.500 0.029 0.000 2.487 815 R HA 0.373 4.713 4.340 0.001 0.000 0.288 815 R C -0.855 175.468 176.300 0.038 0.000 1.394 815 R CA -0.337 55.784 56.100 0.035 0.000 1.155 815 R CB -0.292 30.034 30.300 0.042 0.000 1.156 815 R HN -0.078 nan 8.270 nan 0.000 0.553 816 L N 3.827 125.063 121.223 0.022 0.000 2.278 816 L HA 0.405 4.745 4.340 0.001 0.000 0.287 816 L C 0.185 177.086 176.870 0.052 0.000 1.072 816 L CA -0.408 54.450 54.840 0.030 0.000 0.819 816 L CB 1.230 43.285 42.059 -0.006 0.000 1.176 816 L HN 0.562 nan 8.230 nan 0.000 0.435 817 E N 3.452 123.697 120.200 0.075 0.000 2.267 817 E HA 0.683 5.034 4.350 0.001 0.000 0.258 817 E C -0.829 175.816 176.600 0.075 0.000 1.074 817 E CA -0.787 55.655 56.400 0.071 0.000 0.915 817 E CB 1.292 31.036 29.700 0.073 0.000 1.186 817 E HN 0.419 nan 8.360 nan 0.000 0.439 818 R N 0.948 121.495 120.500 0.077 0.000 2.678 818 R HA 0.160 4.501 4.340 0.001 0.000 0.267 818 R C -1.852 174.507 176.300 0.099 0.000 1.173 818 R CA -0.646 55.499 56.100 0.074 0.000 1.061 818 R CB 0.858 31.183 30.300 0.041 0.000 1.262 818 R HN 0.535 nan 8.270 nan 0.000 0.427 819 Y N 3.941 124.224 120.300 -0.028 0.000 2.402 819 Y HA 0.273 4.824 4.550 0.001 0.000 0.332 819 Y C -0.224 175.646 175.900 -0.050 0.000 0.960 819 Y CA -0.614 57.456 58.100 -0.049 0.000 1.228 819 Y CB 0.839 39.240 38.460 -0.098 0.000 1.120 819 Y HN 0.716 nan 8.280 nan 0.000 0.491 820 N N 4.562 122.960 118.700 -0.504 0.000 2.780 820 N HA -0.181 4.560 4.740 0.001 0.000 0.247 820 N C 0.760 176.168 175.510 -0.171 0.000 1.076 820 N CA 1.390 54.206 53.050 -0.389 0.000 0.688 820 N CB -1.188 37.006 38.487 -0.488 0.000 0.957 820 N HN 1.288 nan 8.380 nan 0.000 0.551 821 G N -1.632 107.102 108.800 -0.111 0.000 2.579 821 G HA2 -0.332 3.629 3.960 0.001 0.000 0.222 821 G HA3 -0.332 3.629 3.960 0.001 0.000 0.222 821 G C 0.098 174.981 174.900 -0.027 0.000 1.201 821 G CA 0.342 45.406 45.100 -0.059 0.000 0.710 821 G HN 0.381 nan 8.290 nan 0.000 0.516 822 L N 2.846 124.057 121.223 -0.021 0.000 2.395 822 L HA 0.498 4.839 4.340 0.001 0.000 0.269 822 L C -1.901 174.986 176.870 0.029 0.000 1.133 822 L CA -2.056 52.786 54.840 0.003 0.000 0.812 822 L CB 0.828 42.887 42.059 0.000 0.000 1.125 822 L HN 0.017 nan 8.230 nan 0.000 0.452 823 P HA 0.084 nan 4.420 nan 0.000 0.269 823 P C -0.982 176.355 177.300 0.062 0.000 1.209 823 P CA -0.133 63.002 63.100 0.059 0.000 0.776 823 P CB 0.908 32.649 31.700 0.070 0.000 0.876 824 S N 1.560 117.306 115.700 0.075 0.000 2.570 824 S HA 0.753 5.224 4.470 0.001 0.000 0.270 824 S C -1.045 173.593 174.600 0.064 0.000 1.149 824 S CA -0.906 57.333 58.200 0.065 0.000 0.837 824 S CB 1.206 64.457 63.200 0.085 0.000 1.124 824 S HN 0.222 nan 8.310 nan 0.000 0.465 825 M N 2.117 121.746 119.600 0.049 0.000 2.067 825 M HA 0.382 4.862 4.480 0.001 0.000 0.286 825 M C -0.398 175.933 176.300 0.052 0.000 0.922 825 M CA -0.219 55.113 55.300 0.052 0.000 0.937 825 M CB 1.791 34.417 32.600 0.043 0.000 1.550 825 M HN 0.917 nan 8.290 nan 0.000 0.433 826 E N 3.426 123.649 120.200 0.039 0.000 2.390 826 E HA 0.448 4.799 4.350 0.001 0.000 0.261 826 E C -1.350 175.281 176.600 0.051 0.000 1.076 826 E CA 0.029 56.446 56.400 0.029 0.000 0.905 826 E CB 1.101 30.808 29.700 0.012 0.000 0.984 826 E HN 0.629 nan 8.360 nan 0.000 0.427 827 I N 3.288 123.900 120.570 0.070 0.000 2.730 827 I HA 0.255 4.426 4.170 0.001 0.000 0.298 827 I C -1.141 174.953 176.117 -0.039 0.000 1.089 827 I CA -0.971 60.358 61.300 0.049 0.000 1.041 827 I CB 1.900 39.963 38.000 0.104 0.000 1.235 827 I HN 0.436 nan 8.210 nan 0.000 0.423 828 L N 4.885 126.039 121.223 -0.115 0.000 2.529 828 L HA 0.592 4.932 4.340 0.001 0.000 0.258 828 L C -0.123 176.577 176.870 -0.284 0.000 1.032 828 L CA -0.007 54.703 54.840 -0.217 0.000 0.899 828 L CB 0.720 42.737 42.059 -0.069 0.000 1.174 828 L HN 0.764 nan 8.230 nan 0.000 0.458 829 G N 2.054 110.462 108.800 -0.652 0.000 3.015 829 G HA2 0.769 4.730 3.960 0.001 0.000 0.281 829 G HA3 0.769 4.730 3.960 0.001 0.000 0.281 829 G C -1.196 173.452 174.900 -0.419 0.000 1.386 829 G CA -0.228 44.624 45.100 -0.413 0.000 0.959 829 G HN 0.381 nan 8.290 nan 0.000 0.522 830 Q N -1.406 118.428 119.800 0.055 0.000 2.528 830 Q HA 0.612 4.953 4.340 0.001 0.000 0.289 830 Q C -0.685 175.490 176.000 0.291 0.000 1.091 830 Q CA -1.036 54.880 55.803 0.189 0.000 0.797 830 Q CB 2.637 31.423 28.738 0.081 0.000 1.466 830 Q HN 0.722 nan 8.270 nan 0.000 0.436 831 A N 1.109 124.063 122.820 0.223 0.000 2.527 831 A HA 0.569 4.889 4.320 0.001 0.000 0.313 831 A C 0.101 177.732 177.584 0.078 0.000 1.410 831 A CA -0.142 51.978 52.037 0.137 0.000 1.060 831 A CB -0.635 18.421 19.000 0.092 0.000 1.137 831 A HN 0.678 nan 8.150 nan 0.000 0.542 832 A N 4.367 127.229 122.820 0.069 0.000 2.608 832 A HA 0.296 4.616 4.320 0.001 0.000 0.239 832 A C -1.538 176.060 177.584 0.024 0.000 1.018 832 A CA -0.296 51.767 52.037 0.044 0.000 0.766 832 A CB -0.435 18.588 19.000 0.038 0.000 0.928 832 A HN 0.622 nan 8.150 nan 0.000 0.512 833 P HA 0.063 nan 4.420 nan 0.000 0.297 833 P C 0.930 178.229 177.300 -0.002 0.000 1.544 833 P CA 1.506 64.611 63.100 0.008 0.000 0.798 833 P CB -0.266 31.439 31.700 0.008 0.000 1.757 834 G N -1.440 107.357 108.800 -0.006 0.000 2.310 834 G HA2 0.072 4.033 3.960 0.001 0.000 0.185 834 G HA3 0.072 4.033 3.960 0.001 0.000 0.185 834 G C 0.037 174.922 174.900 -0.023 0.000 1.460 834 G CA -0.043 45.048 45.100 -0.016 0.000 0.660 834 G HN 0.091 nan 8.290 nan 0.000 1.081 835 K N 0.754 121.142 120.400 -0.020 0.000 2.318 835 K HA 0.738 5.059 4.320 0.001 0.000 0.249 835 K C -0.114 176.471 176.600 -0.025 0.000 0.942 835 K CA -0.369 55.900 56.287 -0.030 0.000 0.808 835 K CB 2.107 34.584 32.500 -0.037 0.000 1.189 835 K HN 0.093 nan 8.250 nan 0.000 0.428 836 S N -0.129 115.550 115.700 -0.036 0.000 2.641 836 S HA 0.093 4.564 4.470 0.001 0.000 0.261 836 S C 0.886 175.460 174.600 -0.044 0.000 1.257 836 S CA -0.183 57.999 58.200 -0.031 0.000 0.983 836 S CB 0.485 63.662 63.200 -0.038 0.000 0.990 836 S HN 0.630 nan 8.310 nan 0.000 0.572 837 T N 1.655 116.186 114.554 -0.039 0.000 2.915 837 T HA -0.002 4.349 4.350 0.001 0.000 0.269 837 T C 1.710 176.309 174.700 -0.168 0.000 1.071 837 T CA 1.225 63.279 62.100 -0.078 0.000 1.132 837 T CB -0.718 68.132 68.868 -0.031 0.000 0.878 837 T HN 0.756 nan 8.240 nan 0.000 0.479 838 G N 0.423 109.144 108.800 -0.131 0.000 2.625 838 G HA2 -0.090 3.870 3.960 0.001 0.000 0.214 838 G HA3 -0.090 3.870 3.960 0.001 0.000 0.214 838 G C 1.228 176.045 174.900 -0.138 0.000 1.132 838 G CA 0.482 45.496 45.100 -0.143 0.000 0.782 838 G HN 0.498 nan 8.290 nan 0.000 0.538 839 E N -1.233 118.889 120.200 -0.131 0.000 2.444 839 E HA 0.263 4.613 4.350 0.001 0.000 0.209 839 E C 2.471 178.986 176.600 -0.141 0.000 0.806 839 E CA 0.310 56.639 56.400 -0.118 0.000 1.240 839 E CB 0.275 29.922 29.700 -0.087 0.000 1.238 839 E HN 0.236 nan 8.360 nan 0.000 0.591 840 A N 1.546 124.273 122.820 -0.155 0.000 2.121 840 A HA -0.115 4.206 4.320 0.001 0.000 0.218 840 A C 2.049 179.421 177.584 -0.354 0.000 1.154 840 A CA 0.955 52.868 52.037 -0.206 0.000 0.679 840 A CB -0.468 18.450 19.000 -0.136 0.000 0.795 840 A HN 0.280 nan 8.150 nan 0.000 0.458 841 M N -0.869 118.525 119.600 -0.344 0.000 2.156 841 M HA -0.094 4.387 4.480 0.001 0.000 0.264 841 M C 1.858 178.141 176.300 -0.029 0.000 1.067 841 M CA 2.252 57.340 55.300 -0.352 0.000 1.131 841 M CB -0.184 32.017 32.600 -0.665 0.000 1.368 841 M HN 0.496 nan 8.290 nan 0.000 0.416 842 E N -0.043 120.097 120.200 -0.099 0.000 2.230 842 E HA -0.063 4.288 4.350 0.001 0.000 0.192 842 E C 1.557 178.112 176.600 -0.075 0.000 0.987 842 E CA 0.233 56.598 56.400 -0.058 0.000 0.841 842 E CB 0.189 29.842 29.700 -0.079 0.000 0.783 842 E HN 0.402 nan 8.360 nan 0.000 0.481 843 L N 1.025 122.180 121.223 -0.114 0.000 2.645 843 L HA 0.109 4.449 4.340 0.001 0.000 0.235 843 L C 0.819 177.604 176.870 -0.142 0.000 1.150 843 L CA 0.732 55.479 54.840 -0.156 0.000 0.911 843 L CB -0.039 41.897 42.059 -0.206 0.000 1.077 843 L HN 0.314 nan 8.230 nan 0.000 0.438 844 M N -2.394 117.156 119.600 -0.083 0.000 2.114 844 M HA 0.102 4.583 4.480 0.001 0.000 0.325 844 M C 1.378 177.688 176.300 0.016 0.000 0.946 844 M CA 0.182 55.429 55.300 -0.089 0.000 1.137 844 M CB 0.365 32.899 32.600 -0.110 0.000 2.041 844 M HN 0.102 nan 8.290 nan 0.000 0.692 845 E N 0.695 120.938 120.200 0.070 0.000 2.478 845 E HA -0.127 4.224 4.350 0.001 0.000 0.198 845 E C 1.400 177.864 176.600 -0.226 0.000 1.046 845 E CA 0.891 57.190 56.400 -0.168 0.000 0.870 845 E CB 0.360 29.962 29.700 -0.162 0.000 0.818 845 E HN 0.538 nan 8.360 nan 0.000 0.527 846 Q N -0.832 118.904 119.800 -0.107 0.000 2.477 846 Q HA 0.140 4.480 4.340 0.001 0.000 0.252 846 Q C 1.988 177.963 176.000 -0.041 0.000 0.869 846 Q CA -0.107 55.655 55.803 -0.069 0.000 0.969 846 Q CB 0.482 29.184 28.738 -0.059 0.000 1.144 846 Q HN 0.170 nan 8.270 nan 0.000 0.577 847 L N 0.594 121.784 121.223 -0.056 0.000 2.261 847 L HA -0.126 4.215 4.340 0.001 0.000 0.216 847 L C 2.198 179.046 176.870 -0.037 0.000 1.114 847 L CA 0.970 55.788 54.840 -0.037 0.000 0.777 847 L CB -0.357 41.676 42.059 -0.043 0.000 0.910 847 L HN 0.211 nan 8.230 nan 0.000 0.440 848 A N -0.313 122.485 122.820 -0.037 0.000 2.119 848 A HA -0.146 4.175 4.320 0.001 0.000 0.217 848 A C 2.493 180.122 177.584 0.073 0.000 1.153 848 A CA 1.487 53.543 52.037 0.031 0.000 0.692 848 A CB -0.400 18.700 19.000 0.166 0.000 0.799 848 A HN 0.499 nan 8.150 nan 0.000 0.458 849 S N -0.564 115.170 115.700 0.056 0.000 2.446 849 S HA -0.045 4.426 4.470 0.001 0.000 0.225 849 S C 1.687 176.309 174.600 0.036 0.000 1.016 849 S CA 1.217 59.455 58.200 0.063 0.000 0.943 849 S CB -0.208 63.027 63.200 0.058 0.000 0.786 849 S HN 0.375 nan 8.310 nan 0.000 0.508 850 K N 0.837 121.249 120.400 0.021 0.000 2.519 850 K HA 0.224 4.545 4.320 0.001 0.000 0.196 850 K C 0.402 177.007 176.600 0.009 0.000 1.041 850 K CA 0.156 56.451 56.287 0.012 0.000 0.954 850 K CB -0.512 31.992 32.500 0.007 0.000 0.774 850 K HN 0.479 nan 8.250 nan 0.000 0.480 851 L N 1.844 123.076 121.223 0.014 0.000 2.453 851 L HA 0.212 4.553 4.340 0.001 0.000 0.261 851 L C -1.636 175.241 176.870 0.011 0.000 1.179 851 L CA -2.219 52.626 54.840 0.009 0.000 0.813 851 L CB 0.093 42.161 42.059 0.015 0.000 1.110 851 L HN 0.114 nan 8.230 nan 0.000 0.466 852 P HA -0.069 nan 4.420 nan 0.000 0.268 852 P C -0.725 176.579 177.300 0.007 0.000 1.189 852 P CA 0.025 63.127 63.100 0.002 0.000 0.771 852 P CB -0.078 31.619 31.700 -0.005 0.000 0.822 853 T N 0.907 115.464 114.554 0.005 0.000 2.784 853 T HA 0.409 4.759 4.350 0.001 0.000 0.291 853 T C 1.328 176.030 174.700 0.004 0.000 0.942 853 T CA 0.663 62.766 62.100 0.006 0.000 1.161 853 T CB 0.269 69.139 68.868 0.004 0.000 0.885 853 T HN 0.807 nan 8.240 nan 0.000 0.534 854 G N 2.440 111.243 108.800 0.005 0.000 2.481 854 G HA2 -0.195 3.765 3.960 0.001 0.000 0.200 854 G HA3 -0.195 3.765 3.960 0.001 0.000 0.200 854 G C 0.051 174.952 174.900 0.001 0.000 1.012 854 G CA -0.436 44.664 45.100 0.001 0.000 0.676 854 G HN 0.769 nan 8.290 nan 0.000 0.488 855 V N 1.927 121.846 119.914 0.008 0.000 2.686 855 V HA 0.637 4.758 4.120 0.001 0.000 0.295 855 V C 1.066 177.175 176.094 0.025 0.000 1.055 855 V CA 0.656 62.965 62.300 0.015 0.000 1.050 855 V CB 1.149 32.983 31.823 0.019 0.000 0.984 855 V HN 0.955 nan 8.190 nan 0.000 0.482 856 G N 2.586 111.396 108.800 0.016 0.000 2.658 856 G HA2 0.675 4.636 3.960 0.001 0.000 0.292 856 G HA3 0.675 4.636 3.960 0.001 0.000 0.292 856 G C -1.439 173.472 174.900 0.019 0.000 1.320 856 G CA -0.714 44.382 45.100 -0.006 0.000 0.933 856 G HN 0.763 nan 8.290 nan 0.000 0.476 857 Y N -0.668 119.575 120.300 -0.095 0.000 2.496 857 Y HA 0.827 5.377 4.550 0.001 0.000 0.331 857 Y C -0.744 174.848 175.900 -0.514 0.000 1.140 857 Y CA -1.519 56.395 58.100 -0.311 0.000 1.166 857 Y CB 2.380 40.727 38.460 -0.188 0.000 1.249 857 Y HN 0.561 nan 8.280 nan 0.000 0.479 858 D N 0.734 120.668 120.400 -0.776 0.000 2.720 858 D HA 0.273 4.913 4.640 0.001 0.000 0.239 858 D C -2.313 173.402 176.300 -0.975 0.000 1.218 858 D CA -0.530 53.048 54.000 -0.702 0.000 0.748 858 D CB 0.998 41.504 40.800 -0.491 0.000 1.387 858 D HN 0.640 nan 8.370 nan 0.000 0.438 859 W N 1.277 122.332 121.300 -0.409 0.000 2.520 859 W HA 0.628 5.288 4.660 0.001 0.000 0.323 859 W C 0.008 176.214 176.519 -0.521 0.000 1.062 859 W CA -0.664 56.463 57.345 -0.363 0.000 1.215 859 W CB 2.240 31.637 29.460 -0.104 0.000 1.340 859 W HN 0.167 nan 8.180 nan 0.000 0.516 860 T N 1.643 116.056 114.554 -0.236 0.000 2.993 860 T HA 0.586 4.936 4.350 0.001 0.000 0.312 860 T C 0.288 174.889 174.700 -0.165 0.000 1.115 860 T CA 0.549 62.357 62.100 -0.486 0.000 1.027 860 T CB 0.610 68.979 68.868 -0.832 0.000 1.116 860 T HN 1.240 nan 8.240 nan 0.000 0.464 861 G N 4.480 113.249 108.800 -0.053 0.000 2.512 861 G HA2 -0.308 3.652 3.960 0.001 0.000 0.254 861 G HA3 -0.308 3.652 3.960 0.001 0.000 0.254 861 G C 1.206 176.224 174.900 0.196 0.000 1.199 861 G CA 0.900 46.100 45.100 0.167 0.000 0.941 861 G HN 1.697 nan 8.290 nan 0.000 0.569 862 M N 0.147 119.832 119.600 0.142 0.000 2.252 862 M HA -0.053 4.428 4.480 0.001 0.000 0.255 862 M C 1.343 177.705 176.300 0.103 0.000 1.085 862 M CA 3.120 58.484 55.300 0.107 0.000 1.059 862 M CB -0.422 32.226 32.600 0.080 0.000 1.375 862 M HN 1.690 nan 8.290 nan 0.000 0.409 863 S N -1.079 114.711 115.700 0.151 0.000 2.112 863 S HA 0.290 4.761 4.470 0.001 0.000 0.151 863 S C -0.364 174.336 174.600 0.167 0.000 1.723 863 S CA -0.925 57.346 58.200 0.119 0.000 1.263 863 S CB 0.204 63.488 63.200 0.140 0.000 1.194 863 S HN 0.576 nan 8.310 nan 0.000 0.419 864 Y N 1.634 121.945 120.300 0.020 0.000 2.437 864 Y HA 0.468 5.018 4.550 0.001 0.000 0.266 864 Y C 0.454 176.361 175.900 0.012 0.000 1.077 864 Y CA -0.011 58.113 58.100 0.039 0.000 1.235 864 Y CB 0.181 38.704 38.460 0.105 0.000 1.303 864 Y HN 0.459 nan 8.280 nan 0.000 0.536 865 Q N 0.782 120.534 119.800 -0.079 0.000 2.177 865 Q HA 0.295 4.636 4.340 0.001 0.000 0.183 865 Q C 0.449 176.388 176.000 -0.102 0.000 1.040 865 Q CA 0.441 56.155 55.803 -0.148 0.000 1.089 865 Q CB 0.776 29.458 28.738 -0.093 0.000 1.130 865 Q HN 0.201 nan 8.270 nan 0.000 0.575 866 E N -0.667 119.489 120.200 -0.072 0.000 2.572 866 E HA 0.231 4.582 4.350 0.001 0.000 0.220 866 E C -0.733 175.866 176.600 -0.003 0.000 0.945 866 E CA -0.206 56.165 56.400 -0.049 0.000 1.070 866 E CB 0.628 30.298 29.700 -0.050 0.000 1.090 866 E HN 0.297 nan 8.360 nan 0.000 0.506 867 R N -0.838 119.679 120.500 0.027 0.000 3.847 867 R HA -0.206 4.134 4.340 0.001 0.000 0.489 867 R C 0.513 176.919 176.300 0.176 0.000 0.241 867 R CA 0.671 56.818 56.100 0.078 0.000 1.532 867 R CB -1.500 28.821 30.300 0.036 0.000 1.049 867 R HN 0.153 nan 8.270 nan 0.000 0.543 868 L N 0.518 121.866 121.223 0.208 0.000 2.448 868 L HA 0.058 4.398 4.340 0.001 0.000 0.184 868 L C 1.076 178.083 176.870 0.229 0.000 1.310 868 L CA 0.638 55.650 54.840 0.286 0.000 2.940 868 L CB -0.469 41.740 42.059 0.249 0.000 2.857 868 L HN 0.534 nan 8.230 nan 0.000 1.053 869 S N -0.396 115.425 115.700 0.201 0.000 2.549 869 S HA 0.352 4.822 4.470 0.001 0.000 0.283 869 S C 0.661 175.299 174.600 0.064 0.000 1.320 869 S CA 0.432 58.717 58.200 0.142 0.000 1.058 869 S CB 0.759 64.042 63.200 0.140 0.000 0.882 869 S HN 0.784 nan 8.310 nan 0.000 0.498 870 G N 2.435 111.255 108.800 0.033 0.000 2.231 870 G HA2 -0.215 3.745 3.960 0.001 0.000 0.206 870 G HA3 -0.215 3.745 3.960 0.001 0.000 0.206 870 G C 0.425 175.324 174.900 -0.000 0.000 0.996 870 G CA 0.386 45.484 45.100 -0.004 0.000 0.645 870 G HN 0.647 nan 8.290 nan 0.000 0.498 871 N N -0.826 117.886 118.700 0.020 0.000 3.400 871 N HA 0.108 4.848 4.740 0.001 0.000 0.246 871 N C 1.454 176.967 175.510 0.005 0.000 1.034 871 N CA 1.184 54.237 53.050 0.005 0.000 1.158 871 N CB -0.058 38.428 38.487 -0.001 0.000 1.349 871 N HN 0.202 nan 8.380 nan 0.000 0.865 872 Q N -0.087 119.718 119.800 0.009 0.000 2.113 872 Q HA 0.397 4.737 4.340 0.001 0.000 0.225 872 Q C 0.706 176.669 176.000 -0.063 0.000 0.786 872 Q CA 0.471 56.252 55.803 -0.038 0.000 0.989 872 Q CB 0.524 29.213 28.738 -0.082 0.000 1.174 872 Q HN 0.338 nan 8.270 nan 0.000 0.470 873 A N 2.295 125.152 122.820 0.061 0.000 1.873 873 A HA 0.019 4.340 4.320 0.001 0.000 0.215 873 A C -0.721 177.042 177.584 0.298 0.000 1.186 873 A CA 1.122 53.289 52.037 0.217 0.000 0.616 873 A CB -1.209 18.072 19.000 0.467 0.000 0.823 873 A HN 0.400 nan 8.150 nan 0.000 0.442 874 P HA 0.015 nan 4.420 nan 0.000 0.252 874 P C 0.981 178.335 177.300 0.089 0.000 1.265 874 P CA 1.257 64.422 63.100 0.109 0.000 0.775 874 P CB 0.095 31.808 31.700 0.021 0.000 1.128 875 S N -1.836 113.899 115.700 0.059 0.000 2.497 875 S HA 0.123 4.593 4.470 0.001 0.000 0.218 875 S C 1.563 176.173 174.600 0.016 0.000 1.023 875 S CA -0.026 58.187 58.200 0.022 0.000 0.913 875 S CB -0.790 62.401 63.200 -0.015 0.000 0.800 875 S HN 0.038 nan 8.310 nan 0.000 0.505 876 L N -0.511 120.714 121.223 0.004 0.000 2.145 876 L HA 0.181 4.521 4.340 0.001 0.000 0.201 876 L C 2.320 179.215 176.870 0.041 0.000 1.075 876 L CA 0.963 55.791 54.840 -0.020 0.000 0.773 876 L CB -0.729 41.242 42.059 -0.147 0.000 0.936 876 L HN 0.235 nan 8.230 nan 0.000 0.451 877 Y N 0.713 121.006 120.300 -0.011 0.000 2.132 877 Y HA -0.391 4.159 4.550 0.001 0.000 0.280 877 Y C 2.677 178.577 175.900 0.001 0.000 1.193 877 Y CA 1.775 59.875 58.100 0.001 0.000 1.157 877 Y CB -0.488 37.975 38.460 0.006 0.000 0.966 877 Y HN 0.200 nan 8.280 nan 0.000 0.511 878 A N 0.076 122.998 122.820 0.171 0.000 1.865 878 A HA -0.219 4.102 4.320 0.001 0.000 0.217 878 A C 2.187 179.816 177.584 0.075 0.000 1.191 878 A CA 2.105 54.199 52.037 0.095 0.000 0.623 878 A CB -1.092 17.944 19.000 0.060 0.000 0.826 878 A HN 0.507 nan 8.150 nan 0.000 0.444 879 I N -0.491 120.116 120.570 0.062 0.000 2.830 879 I HA -0.139 4.031 4.170 0.001 0.000 0.263 879 I C 2.507 178.663 176.117 0.066 0.000 1.230 879 I CA 0.760 62.096 61.300 0.060 0.000 1.480 879 I CB -0.100 37.930 38.000 0.050 0.000 1.095 879 I HN 0.243 nan 8.210 nan 0.000 0.455 880 S N 0.817 116.544 115.700 0.044 0.000 2.345 880 S HA 0.012 4.483 4.470 0.001 0.000 0.219 880 S C 1.686 176.326 174.600 0.067 0.000 1.031 880 S CA 1.130 59.346 58.200 0.027 0.000 0.984 880 S CB -0.043 63.117 63.200 -0.066 0.000 0.874 880 S HN 0.350 nan 8.310 nan 0.000 0.451 881 L N 0.765 122.036 121.223 0.080 0.000 2.611 881 L HA 0.298 4.638 4.340 0.001 0.000 0.229 881 L C 1.390 178.334 176.870 0.125 0.000 1.137 881 L CA 0.014 54.918 54.840 0.107 0.000 0.901 881 L CB -0.223 41.893 42.059 0.096 0.000 1.098 881 L HN 0.271 nan 8.230 nan 0.000 0.456 882 I N -1.040 119.599 120.570 0.115 0.000 2.296 882 I HA -0.169 4.002 4.170 0.001 0.000 0.242 882 I C 2.277 178.519 176.117 0.208 0.000 1.087 882 I CA 0.871 62.251 61.300 0.133 0.000 1.393 882 I CB 0.088 38.146 38.000 0.096 0.000 1.093 882 I HN 0.033 nan 8.210 nan 0.000 0.421 883 V N 0.121 120.133 119.914 0.164 0.000 2.871 883 V HA -0.110 4.010 4.120 0.001 0.000 0.256 883 V C 2.237 178.426 176.094 0.158 0.000 1.082 883 V CA 1.032 63.428 62.300 0.159 0.000 1.105 883 V CB 0.424 32.321 31.823 0.123 0.000 0.713 883 V HN 0.174 nan 8.190 nan 0.000 0.473 884 V N -0.092 119.920 119.914 0.165 0.000 2.295 884 V HA -0.260 3.861 4.120 0.001 0.000 0.246 884 V C 2.173 178.382 176.094 0.191 0.000 1.049 884 V CA 2.782 65.176 62.300 0.157 0.000 1.024 884 V CB -0.761 31.152 31.823 0.149 0.000 0.648 884 V HN 0.709 nan 8.190 nan 0.000 0.447 885 F N 0.234 120.246 119.950 0.103 0.000 2.202 885 F HA -0.171 4.357 4.527 0.001 0.000 0.301 885 F C 1.941 177.809 175.800 0.113 0.000 1.082 885 F CA 1.600 59.671 58.000 0.119 0.000 1.313 885 F CB -0.133 38.958 39.000 0.150 0.000 1.024 885 F HN 0.059 nan 8.300 nan 0.000 0.495 886 L N -1.198 120.154 121.223 0.214 0.000 2.376 886 L HA -0.201 4.140 4.340 0.001 0.000 0.219 886 L C 2.356 179.230 176.870 0.006 0.000 1.133 886 L CA 0.416 55.328 54.840 0.120 0.000 0.816 886 L CB -0.845 41.324 42.059 0.183 0.000 0.933 886 L HN 0.311 nan 8.230 nan 0.000 0.449 887 C N -0.490 118.810 119.300 0.001 0.000 2.519 887 C HA 0.014 4.475 4.460 0.001 0.000 0.281 887 C C 2.640 177.571 174.990 -0.097 0.000 1.331 887 C CA 0.027 59.027 59.018 -0.031 0.000 1.725 887 C CB -0.348 27.395 27.740 0.006 0.000 2.079 887 C HN 0.411 nan 8.230 nan 0.000 0.496 888 L N 1.245 122.410 121.223 -0.097 0.000 1.994 888 L HA -0.111 4.229 4.340 0.001 0.000 0.208 888 L C 2.930 179.720 176.870 -0.133 0.000 1.071 888 L CA 1.719 56.524 54.840 -0.058 0.000 0.745 888 L CB -0.996 41.112 42.059 0.082 0.000 0.892 888 L HN 0.304 nan 8.230 nan 0.000 0.431 889 A N 0.345 122.970 122.820 -0.327 0.000 1.958 889 A HA -0.283 4.037 4.320 0.001 0.000 0.221 889 A C 2.554 179.894 177.584 -0.406 0.000 1.178 889 A CA 2.063 53.831 52.037 -0.449 0.000 0.642 889 A CB -0.845 17.744 19.000 -0.685 0.000 0.816 889 A HN 0.446 nan 8.150 nan 0.000 0.453 890 A N -1.055 121.571 122.820 -0.322 0.000 1.917 890 A HA -0.105 4.216 4.320 0.001 0.000 0.219 890 A C 2.130 179.566 177.584 -0.246 0.000 1.182 890 A CA 1.925 53.808 52.037 -0.255 0.000 0.633 890 A CB -0.478 18.419 19.000 -0.172 0.000 0.819 890 A HN 0.598 nan 8.150 nan 0.000 0.448 891 L N -2.743 118.300 121.223 -0.299 0.000 2.249 891 L HA 0.115 4.456 4.340 0.001 0.000 0.207 891 L C 1.627 178.249 176.870 -0.413 0.000 1.090 891 L CA 1.343 55.947 54.840 -0.395 0.000 0.802 891 L CB -0.227 41.488 42.059 -0.572 0.000 0.947 891 L HN 0.456 nan 8.230 nan 0.000 0.453 892 Y N -0.613 119.597 120.300 -0.152 0.000 2.457 892 Y HA 0.185 4.736 4.550 0.001 0.000 0.263 892 Y C 0.749 176.557 175.900 -0.154 0.000 1.164 892 Y CA -0.658 57.371 58.100 -0.118 0.000 1.274 892 Y CB 0.033 38.430 38.460 -0.104 0.000 1.097 892 Y HN 0.053 nan 8.280 nan 0.000 0.523 893 E N 0.481 120.611 120.200 -0.117 0.000 2.403 893 E HA -0.238 4.113 4.350 0.001 0.000 0.241 893 E C -0.290 176.184 176.600 -0.210 0.000 1.201 893 E CA 1.017 57.307 56.400 -0.184 0.000 0.721 893 E CB -1.490 28.154 29.700 -0.094 0.000 1.245 893 E HN 0.247 nan 8.360 nan 0.000 0.392 894 S N -2.183 113.338 115.700 -0.298 0.000 2.537 894 S HA 0.457 4.927 4.470 0.001 0.000 0.270 894 S C -0.006 174.307 174.600 -0.478 0.000 1.142 894 S CA -0.643 57.366 58.200 -0.319 0.000 0.870 894 S CB 0.725 63.870 63.200 -0.092 0.000 1.112 894 S HN 0.260 nan 8.310 nan 0.000 0.466 895 W N 1.890 123.103 121.300 -0.145 0.000 2.576 895 W HA 0.120 4.781 4.660 0.001 0.000 0.270 895 W C 1.466 177.714 176.519 -0.453 0.000 1.255 895 W CA 0.326 57.546 57.345 -0.209 0.000 1.314 895 W CB 0.036 29.482 29.460 -0.023 0.000 1.101 895 W HN 0.681 nan 8.180 nan 0.000 0.595 896 S N -0.137 115.501 115.700 -0.103 0.000 2.560 896 S HA 0.464 4.935 4.470 0.001 0.000 0.227 896 S C 0.332 174.825 174.600 -0.178 0.000 1.280 896 S CA -0.326 57.789 58.200 -0.142 0.000 1.260 896 S CB -0.598 62.702 63.200 0.166 0.000 1.002 896 S HN 0.263 nan 8.310 nan 0.000 0.509 897 I N -0.069 120.293 120.570 -0.346 0.000 4.676 897 I HA 0.171 4.342 4.170 0.001 0.000 0.306 897 I C -1.389 174.515 176.117 -0.354 0.000 1.178 897 I CA -0.934 60.186 61.300 -0.300 0.000 1.335 897 I CB 0.588 38.430 38.000 -0.264 0.000 1.541 897 I HN 0.125 nan 8.210 nan 0.000 0.469 898 P HA -0.151 nan 4.420 nan 0.000 0.220 898 P C 1.498 178.796 177.300 -0.003 0.000 1.144 898 P CA 1.610 64.587 63.100 -0.206 0.000 0.800 898 P CB -0.215 31.298 31.700 -0.312 0.000 0.772 899 F N 0.632 120.640 119.950 0.098 0.000 2.102 899 F HA -0.180 4.347 4.527 0.001 0.000 0.298 899 F C 2.950 178.691 175.800 -0.098 0.000 1.105 899 F CA 1.087 59.115 58.000 0.045 0.000 1.239 899 F CB -1.241 37.781 39.000 0.036 0.000 0.991 899 F HN -0.003 nan 8.300 nan 0.000 0.474 900 S N 0.370 116.126 115.700 0.094 0.000 2.372 900 S HA -0.248 4.222 4.470 0.001 0.000 0.227 900 S C 2.182 176.804 174.600 0.037 0.000 1.044 900 S CA 1.769 60.008 58.200 0.065 0.000 1.050 900 S CB -0.793 62.501 63.200 0.157 0.000 0.901 900 S HN 0.286 nan 8.310 nan 0.000 0.447 901 V N 0.766 120.696 119.914 0.028 0.000 2.453 901 V HA 0.012 4.133 4.120 0.001 0.000 0.247 901 V C 2.170 178.296 176.094 0.054 0.000 1.048 901 V CA 2.117 64.459 62.300 0.070 0.000 1.049 901 V CB -0.531 31.342 31.823 0.084 0.000 0.672 901 V HN 0.612 nan 8.190 nan 0.000 0.457 902 M N -0.395 119.235 119.600 0.050 0.000 2.175 902 M HA 0.000 4.481 4.480 0.001 0.000 0.264 902 M C 2.000 178.277 176.300 -0.039 0.000 1.063 902 M CA 1.644 56.983 55.300 0.065 0.000 1.119 902 M CB -0.314 32.387 32.600 0.168 0.000 1.377 902 M HN 0.339 nan 8.290 nan 0.000 0.415 903 L N 0.054 121.117 121.223 -0.267 0.000 2.642 903 L HA -0.134 4.206 4.340 0.001 0.000 0.236 903 L C 1.827 178.547 176.870 -0.250 0.000 1.169 903 L CA 0.158 54.689 54.840 -0.515 0.000 0.851 903 L CB -0.565 40.640 42.059 -1.425 0.000 0.968 903 L HN 0.160 nan 8.230 nan 0.000 0.453 904 V N -2.113 117.803 119.914 0.004 0.000 2.878 904 V HA -0.133 3.988 4.120 0.001 0.000 0.250 904 V C 2.372 178.557 176.094 0.152 0.000 1.075 904 V CA 0.532 62.976 62.300 0.239 0.000 1.096 904 V CB 0.257 32.220 31.823 0.233 0.000 0.724 904 V HN 0.160 nan 8.190 nan 0.000 0.467 905 V N 0.937 120.905 119.914 0.091 0.000 2.242 905 V HA -0.298 3.823 4.120 0.001 0.000 0.257 905 V C 0.330 176.456 176.094 0.054 0.000 1.073 905 V CA 3.214 65.551 62.300 0.061 0.000 1.058 905 V CB -1.743 30.107 31.823 0.046 0.000 0.664 905 V HN 0.506 nan 8.190 nan 0.000 0.451 906 P HA -0.140 nan 4.420 nan 0.000 0.216 906 P C 1.734 179.055 177.300 0.036 0.000 1.150 906 P CA 1.266 64.386 63.100 0.034 0.000 0.843 906 P CB -0.136 31.581 31.700 0.029 0.000 0.787 907 L N -1.242 120.034 121.223 0.089 0.000 2.187 907 L HA -0.106 4.235 4.340 0.001 0.000 0.213 907 L C 2.466 179.351 176.870 0.026 0.000 1.100 907 L CA 2.183 57.050 54.840 0.046 0.000 0.765 907 L CB -1.586 40.520 42.059 0.078 0.000 0.904 907 L HN 0.053 nan 8.230 nan 0.000 0.437 908 G N -1.631 107.188 108.800 0.032 0.000 2.459 908 G HA2 -0.029 3.931 3.960 0.001 0.000 0.213 908 G HA3 -0.029 3.931 3.960 0.001 0.000 0.213 908 G C 1.542 176.451 174.900 0.014 0.000 1.155 908 G CA 0.563 45.676 45.100 0.021 0.000 0.811 908 G HN 0.174 nan 8.290 nan 0.000 0.534 909 V N 1.425 121.341 119.914 0.002 0.000 2.255 909 V HA -0.151 3.969 4.120 0.001 0.000 0.247 909 V C 2.498 178.608 176.094 0.028 0.000 1.051 909 V CA 1.438 63.737 62.300 -0.001 0.000 1.018 909 V CB -0.440 31.356 31.823 -0.045 0.000 0.641 909 V HN 0.331 nan 8.190 nan 0.000 0.445 910 I N 0.982 121.556 120.570 0.008 0.000 3.164 910 I HA -0.048 4.123 4.170 0.001 0.000 0.278 910 I C 1.764 177.880 176.117 -0.002 0.000 1.320 910 I CA 1.161 62.463 61.300 0.005 0.000 1.422 910 I CB -0.739 37.250 38.000 -0.019 0.000 1.066 910 I HN 0.202 nan 8.210 nan 0.000 0.503 911 G N -0.704 108.103 108.800 0.012 0.000 2.662 911 G HA2 0.056 4.017 3.960 0.001 0.000 0.207 911 G HA3 0.056 4.017 3.960 0.001 0.000 0.207 911 G C 1.681 176.605 174.900 0.040 0.000 1.154 911 G CA 0.393 45.498 45.100 0.009 0.000 0.837 911 G HN 0.434 nan 8.290 nan 0.000 0.580 912 A N 0.886 123.756 122.820 0.083 0.000 1.948 912 A HA 0.020 4.340 4.320 0.001 0.000 0.220 912 A C 2.385 180.111 177.584 0.237 0.000 1.177 912 A CA 1.310 53.451 52.037 0.174 0.000 0.636 912 A CB -0.521 18.577 19.000 0.163 0.000 0.815 912 A HN 0.338 nan 8.150 nan 0.000 0.449 913 L N -0.863 120.471 121.223 0.185 0.000 2.131 913 L HA -0.182 4.158 4.340 0.001 0.000 0.210 913 L C 2.515 179.401 176.870 0.028 0.000 1.092 913 L CA 0.804 55.725 54.840 0.135 0.000 0.759 913 L CB -0.460 41.674 42.059 0.125 0.000 0.903 913 L HN 0.414 nan 8.230 nan 0.000 0.435 914 L N -0.702 120.508 121.223 -0.022 0.000 1.973 914 L HA -0.164 4.176 4.340 0.001 0.000 0.208 914 L C 2.926 179.761 176.870 -0.058 0.000 1.073 914 L CA 1.165 55.919 54.840 -0.143 0.000 0.746 914 L CB -0.845 41.053 42.059 -0.268 0.000 0.891 914 L HN 0.203 nan 8.230 nan 0.000 0.433 915 A N 0.369 123.189 122.820 -0.000 0.000 1.909 915 A HA -0.372 3.948 4.320 0.001 0.000 0.221 915 A C 2.460 180.076 177.584 0.053 0.000 1.223 915 A CA 2.742 54.813 52.037 0.057 0.000 0.658 915 A CB -1.132 17.916 19.000 0.079 0.000 0.831 915 A HN 0.489 nan 8.150 nan 0.000 0.462 916 A N -1.968 120.855 122.820 0.005 0.000 1.933 916 A HA -0.020 4.300 4.320 0.001 0.000 0.218 916 A C 2.302 179.850 177.584 -0.061 0.000 1.175 916 A CA 2.316 54.284 52.037 -0.114 0.000 0.628 916 A CB -1.049 17.718 19.000 -0.389 0.000 0.814 916 A HN 0.505 nan 8.150 nan 0.000 0.444 917 T N -0.809 113.749 114.554 0.007 0.000 2.706 917 T HA -0.006 4.344 4.350 0.001 0.000 0.255 917 T C 1.602 176.427 174.700 0.210 0.000 1.048 917 T CA 1.262 63.410 62.100 0.080 0.000 1.153 917 T CB -0.407 68.519 68.868 0.095 0.000 0.865 917 T HN 0.302 nan 8.240 nan 0.000 0.414 918 F N 1.634 121.576 119.950 -0.013 0.000 2.095 918 F HA 0.097 4.625 4.527 0.001 0.000 0.298 918 F C 1.551 177.347 175.800 -0.007 0.000 1.104 918 F CA 0.564 58.562 58.000 -0.002 0.000 1.232 918 F CB -0.401 38.606 39.000 0.011 0.000 0.987 918 F HN -0.052 nan 8.300 nan 0.000 0.475 919 R N 0.298 120.902 120.500 0.174 0.000 2.390 919 R HA 0.330 4.670 4.340 0.001 0.000 0.291 919 R C 0.212 176.533 176.300 0.036 0.000 1.070 919 R CA -0.038 56.105 56.100 0.073 0.000 1.014 919 R CB 0.585 30.920 30.300 0.058 0.000 1.007 919 R HN 0.217 nan 8.270 nan 0.000 0.466 920 G N 5.688 114.495 108.800 0.011 0.000 2.369 920 G HA2 0.117 4.078 3.960 0.001 0.000 0.287 920 G HA3 0.117 4.078 3.960 0.001 0.000 0.287 920 G C -0.309 174.585 174.900 -0.010 0.000 1.009 920 G CA -0.121 44.978 45.100 -0.003 0.000 1.393 920 G HN 0.319 nan 8.290 nan 0.000 0.432 921 L N 1.070 122.276 121.223 -0.029 0.000 2.311 921 L HA 0.874 5.214 4.340 0.001 0.000 0.245 921 L C 0.099 176.917 176.870 -0.088 0.000 1.181 921 L CA -0.476 54.331 54.840 -0.054 0.000 1.167 921 L CB 1.773 43.788 42.059 -0.074 0.000 1.646 921 L HN 0.496 nan 8.230 nan 0.000 0.491 922 T N 0.009 114.474 114.554 -0.149 0.000 2.827 922 T HA 0.225 4.576 4.350 0.001 0.000 0.328 922 T C -1.528 173.027 174.700 -0.242 0.000 1.598 922 T CA -0.597 61.414 62.100 -0.149 0.000 1.043 922 T CB 1.155 69.996 68.868 -0.045 0.000 1.447 922 T HN 0.541 nan 8.240 nan 0.000 0.491 923 N N 2.969 121.565 118.700 -0.173 0.000 2.437 923 N HA 0.378 5.119 4.740 0.001 0.000 0.243 923 N C -0.919 174.669 175.510 0.130 0.000 1.041 923 N CA -0.001 53.027 53.050 -0.038 0.000 0.940 923 N CB 0.584 39.107 38.487 0.061 0.000 1.133 923 N HN 0.814 nan 8.380 nan 0.000 0.506 924 D N 0.351 120.874 120.400 0.206 0.000 2.744 924 D HA 0.206 4.846 4.640 0.001 0.000 0.304 924 D C 0.994 177.335 176.300 0.068 0.000 1.179 924 D CA -0.746 53.329 54.000 0.125 0.000 1.024 924 D CB 0.512 41.361 40.800 0.081 0.000 1.453 924 D HN -0.003 nan 8.370 nan 0.000 0.529 925 V N -0.596 119.210 119.914 -0.180 0.000 2.214 925 V HA -0.315 3.805 4.120 0.001 0.000 0.247 925 V C 2.027 177.862 176.094 -0.433 0.000 1.051 925 V CA 1.921 63.965 62.300 -0.427 0.000 1.003 925 V CB -1.129 30.209 31.823 -0.807 0.000 0.635 925 V HN 0.606 nan 8.190 nan 0.000 0.447 926 Y N -0.876 119.264 120.300 -0.268 0.000 2.132 926 Y HA -0.348 4.203 4.550 0.001 0.000 0.280 926 Y C 2.304 178.054 175.900 -0.249 0.000 1.193 926 Y CA 2.484 60.407 58.100 -0.295 0.000 1.157 926 Y CB -0.686 37.694 38.460 -0.133 0.000 0.966 926 Y HN 0.287 nan 8.280 nan 0.000 0.511 927 F N 0.934 120.847 119.950 -0.061 0.000 2.084 927 F HA -0.235 4.292 4.527 0.001 0.000 0.296 927 F C 2.319 178.078 175.800 -0.068 0.000 1.111 927 F CA 1.753 59.724 58.000 -0.049 0.000 1.224 927 F CB -0.716 38.289 39.000 0.008 0.000 0.991 927 F HN 0.013 nan 8.300 nan 0.000 0.471 928 Q N -0.104 119.634 119.800 -0.104 0.000 2.135 928 Q HA -0.190 4.150 4.340 0.001 0.000 0.204 928 Q C 2.329 178.145 176.000 -0.306 0.000 0.981 928 Q CA 1.989 57.709 55.803 -0.138 0.000 0.856 928 Q CB -0.541 28.302 28.738 0.175 0.000 0.902 928 Q HN 0.384 nan 8.270 nan 0.000 0.425 929 V N 0.399 120.049 119.914 -0.441 0.000 2.233 929 V HA -0.244 3.876 4.120 0.001 0.000 0.247 929 V C 2.296 178.118 176.094 -0.453 0.000 1.050 929 V CA 2.125 64.067 62.300 -0.596 0.000 1.010 929 V CB -1.295 29.856 31.823 -1.119 0.000 0.637 929 V HN 0.539 nan 8.190 nan 0.000 0.444 930 G N -0.752 107.810 108.800 -0.396 0.000 2.450 930 G HA2 -0.252 3.709 3.960 0.001 0.000 0.220 930 G HA3 -0.252 3.709 3.960 0.001 0.000 0.220 930 G C 1.650 176.360 174.900 -0.317 0.000 1.130 930 G CA 1.083 46.020 45.100 -0.271 0.000 0.760 930 G HN 0.468 nan 8.290 nan 0.000 0.557 931 L N -0.183 120.719 121.223 -0.535 0.000 1.994 931 L HA 0.013 4.354 4.340 0.001 0.000 0.208 931 L C 2.837 179.527 176.870 -0.300 0.000 1.071 931 L CA 1.084 55.626 54.840 -0.497 0.000 0.745 931 L CB -0.226 41.441 42.059 -0.654 0.000 0.892 931 L HN 0.207 nan 8.230 nan 0.000 0.431 932 L N -0.413 120.601 121.223 -0.348 0.000 2.013 932 L HA -0.293 4.047 4.340 0.001 0.000 0.212 932 L C 2.530 179.188 176.870 -0.352 0.000 1.073 932 L CA 2.161 56.742 54.840 -0.432 0.000 0.753 932 L CB -1.002 40.654 42.059 -0.670 0.000 0.890 932 L HN 0.338 nan 8.230 nan 0.000 0.432 933 T N -1.252 113.167 114.554 -0.224 0.000 2.665 933 T HA -0.216 4.135 4.350 0.001 0.000 0.268 933 T C 1.787 176.513 174.700 0.043 0.000 1.035 933 T CA 2.064 64.210 62.100 0.077 0.000 1.151 933 T CB -0.491 68.459 68.868 0.136 0.000 0.862 933 T HN 0.460 nan 8.240 nan 0.000 0.438 934 T N 2.137 116.675 114.554 -0.025 0.000 2.867 934 T HA 0.050 4.400 4.350 0.001 0.000 0.268 934 T C 1.874 176.565 174.700 -0.016 0.000 1.057 934 T CA 0.454 62.545 62.100 -0.015 0.000 1.136 934 T CB -0.229 68.627 68.868 -0.020 0.000 0.874 934 T HN 0.204 nan 8.240 nan 0.000 0.466 935 I N 1.993 122.542 120.570 -0.035 0.000 2.454 935 I HA -0.043 4.128 4.170 0.001 0.000 0.254 935 I C 2.658 178.795 176.117 0.033 0.000 1.156 935 I CA 1.015 62.309 61.300 -0.011 0.000 1.433 935 I CB -1.717 36.258 38.000 -0.042 0.000 1.082 935 I HN 0.334 nan 8.210 nan 0.000 0.432 936 G N 0.778 109.620 108.800 0.070 0.000 2.425 936 G HA2 -0.122 3.838 3.960 0.001 0.000 0.213 936 G HA3 -0.122 3.838 3.960 0.001 0.000 0.213 936 G C 1.774 176.696 174.900 0.035 0.000 1.201 936 G CA 0.150 45.324 45.100 0.123 0.000 0.799 936 G HN 0.283 nan 8.290 nan 0.000 0.534 937 L N 1.253 122.464 121.223 -0.020 0.000 2.043 937 L HA -0.161 4.179 4.340 0.001 0.000 0.212 937 L C 3.211 180.056 176.870 -0.043 0.000 1.075 937 L CA 1.517 56.302 54.840 -0.092 0.000 0.752 937 L CB -0.413 41.535 42.059 -0.185 0.000 0.891 937 L HN 0.158 nan 8.230 nan 0.000 0.432 938 S N -0.350 115.346 115.700 -0.006 0.000 2.365 938 S HA -0.262 4.208 4.470 0.001 0.000 0.225 938 S C 2.158 176.786 174.600 0.047 0.000 1.039 938 S CA 1.450 59.665 58.200 0.026 0.000 1.033 938 S CB -0.465 62.760 63.200 0.042 0.000 0.887 938 S HN 0.551 nan 8.310 nan 0.000 0.447 939 A N 1.581 124.433 122.820 0.052 0.000 1.874 939 A HA -0.018 4.303 4.320 0.001 0.000 0.214 939 A C 1.968 179.582 177.584 0.051 0.000 1.189 939 A CA 1.796 53.875 52.037 0.070 0.000 0.615 939 A CB -0.584 18.466 19.000 0.083 0.000 0.830 939 A HN 0.348 nan 8.150 nan 0.000 0.443 940 K N 0.946 121.358 120.400 0.020 0.000 2.052 940 K HA -0.240 4.080 4.320 0.001 0.000 0.215 940 K C 1.611 178.199 176.600 -0.019 0.000 1.053 940 K CA 2.440 58.721 56.287 -0.010 0.000 0.934 940 K CB -0.561 31.908 32.500 -0.052 0.000 0.717 940 K HN 0.483 nan 8.250 nan 0.000 0.450 941 N N 0.131 118.813 118.700 -0.029 0.000 2.043 941 N HA -0.150 4.591 4.740 0.001 0.000 0.193 941 N C 1.657 177.161 175.510 -0.010 0.000 1.037 941 N CA 1.860 54.887 53.050 -0.038 0.000 0.851 941 N CB -0.823 37.641 38.487 -0.038 0.000 1.027 941 N HN 0.379 nan 8.380 nan 0.000 0.422 942 A N 1.128 123.969 122.820 0.035 0.000 1.855 942 A HA -0.043 4.277 4.320 0.001 0.000 0.215 942 A C 2.350 179.974 177.584 0.067 0.000 1.191 942 A CA 0.989 53.068 52.037 0.069 0.000 0.613 942 A CB -0.924 18.152 19.000 0.126 0.000 0.829 942 A HN 0.216 nan 8.150 nan 0.000 0.442 943 I N -0.078 120.548 120.570 0.094 0.000 2.121 943 I HA -0.389 3.782 4.170 0.001 0.000 0.243 943 I C 2.473 178.676 176.117 0.142 0.000 1.047 943 I CA 1.709 63.103 61.300 0.157 0.000 1.308 943 I CB -0.384 37.698 38.000 0.137 0.000 1.015 943 I HN 0.378 nan 8.210 nan 0.000 0.410 944 L N 0.071 121.325 121.223 0.052 0.000 1.944 944 L HA -0.289 4.052 4.340 0.001 0.000 0.218 944 L C 2.515 179.370 176.870 -0.025 0.000 1.075 944 L CA 1.850 56.685 54.840 -0.007 0.000 0.767 944 L CB -0.714 41.256 42.059 -0.149 0.000 0.890 944 L HN 0.201 nan 8.230 nan 0.000 0.434 945 I N -0.565 119.954 120.570 -0.086 0.000 2.181 945 I HA -0.361 3.810 4.170 0.001 0.000 0.247 945 I C 2.411 178.458 176.117 -0.117 0.000 1.081 945 I CA 1.496 62.737 61.300 -0.099 0.000 1.340 945 I CB -0.361 37.599 38.000 -0.068 0.000 1.036 945 I HN 0.099 nan 8.210 nan 0.000 0.417 946 V N 0.575 120.443 119.914 -0.077 0.000 2.223 946 V HA -0.301 3.819 4.120 0.001 0.000 0.244 946 V C 2.495 178.593 176.094 0.007 0.000 1.045 946 V CA 2.250 64.453 62.300 -0.162 0.000 1.000 946 V CB -0.822 30.985 31.823 -0.027 0.000 0.635 946 V HN 0.479 nan 8.190 nan 0.000 0.445 947 E N 0.542 120.900 120.200 0.263 0.000 2.086 947 E HA -0.281 4.069 4.350 0.001 0.000 0.205 947 E C 1.853 178.598 176.600 0.243 0.000 1.027 947 E CA 2.207 58.806 56.400 0.331 0.000 0.830 947 E CB -0.535 29.346 29.700 0.301 0.000 0.751 947 E HN 0.463 nan 8.360 nan 0.000 0.456 948 F N 0.603 120.536 119.950 -0.028 0.000 2.102 948 F HA 0.018 4.546 4.527 0.001 0.000 0.298 948 F C 2.507 178.256 175.800 -0.084 0.000 1.105 948 F CA 1.127 59.100 58.000 -0.046 0.000 1.239 948 F CB -1.266 37.706 39.000 -0.046 0.000 0.991 948 F HN 0.200 nan 8.300 nan 0.000 0.474 949 A N -0.152 122.667 122.820 -0.002 0.000 1.903 949 A HA -0.342 3.979 4.320 0.001 0.000 0.219 949 A C 2.204 179.756 177.584 -0.052 0.000 1.191 949 A CA 2.375 54.290 52.037 -0.203 0.000 0.638 949 A CB -0.886 17.631 19.000 -0.805 0.000 0.823 949 A HN 0.282 nan 8.150 nan 0.000 0.451 950 K N 0.128 120.542 120.400 0.024 0.000 1.977 950 K HA -0.235 4.085 4.320 0.001 0.000 0.218 950 K C 1.751 178.393 176.600 0.071 0.000 1.051 950 K CA 2.279 58.668 56.287 0.171 0.000 0.953 950 K CB -0.758 31.892 32.500 0.250 0.000 0.727 950 K HN 0.495 nan 8.250 nan 0.000 0.445 951 D N -0.260 120.145 120.400 0.007 0.000 2.230 951 D HA -0.228 4.412 4.640 0.001 0.000 0.189 951 D C 1.615 177.880 176.300 -0.058 0.000 1.006 951 D CA 2.440 56.391 54.000 -0.081 0.000 0.853 951 D CB -0.225 40.426 40.800 -0.248 0.000 0.959 951 D HN 0.324 nan 8.370 nan 0.000 0.449 952 L N -0.501 120.698 121.223 -0.039 0.000 2.633 952 L HA 0.002 4.342 4.340 0.001 0.000 0.235 952 L C 2.197 179.072 176.870 0.007 0.000 1.163 952 L CA 0.192 55.022 54.840 -0.016 0.000 0.859 952 L CB -0.298 41.765 42.059 0.008 0.000 0.973 952 L HN 0.299 nan 8.230 nan 0.000 0.451 953 M N -1.346 118.270 119.600 0.026 0.000 2.567 953 M HA 0.008 4.488 4.480 0.001 0.000 0.261 953 M C 0.959 177.268 176.300 0.015 0.000 1.180 953 M CA 0.762 56.085 55.300 0.037 0.000 1.143 953 M CB 0.240 32.892 32.600 0.087 0.000 1.319 953 M HN 0.141 nan 8.290 nan 0.000 0.490 954 D N 0.258 120.663 120.400 0.008 0.000 2.652 954 D HA 0.037 4.678 4.640 0.001 0.000 0.261 954 D C 1.521 177.808 176.300 -0.022 0.000 1.024 954 D CA 0.875 54.871 54.000 -0.006 0.000 0.958 954 D CB 0.003 40.803 40.800 0.001 0.000 1.113 954 D HN 0.089 nan 8.370 nan 0.000 0.471 955 K N 0.451 120.831 120.400 -0.034 0.000 2.432 955 K HA 0.049 4.369 4.320 0.001 0.000 0.196 955 K C 0.754 177.330 176.600 -0.040 0.000 1.038 955 K CA 0.726 56.986 56.287 -0.045 0.000 0.986 955 K CB 0.427 32.886 32.500 -0.068 0.000 0.782 955 K HN 0.205 nan 8.250 nan 0.000 0.485 956 E N -1.163 119.018 120.200 -0.031 0.000 2.702 956 E HA 0.064 4.414 4.350 0.001 0.000 0.225 956 E C 0.069 176.660 176.600 -0.014 0.000 0.942 956 E CA 0.111 56.497 56.400 -0.024 0.000 1.210 956 E CB 1.466 31.151 29.700 -0.025 0.000 1.143 956 E HN 0.292 nan 8.360 nan 0.000 0.544 957 G N 3.039 111.833 108.800 -0.011 0.000 2.272 957 G HA2 -0.309 3.651 3.960 0.001 0.000 0.280 957 G HA3 -0.309 3.651 3.960 0.001 0.000 0.280 957 G C -0.035 174.863 174.900 -0.003 0.000 1.067 957 G CA 0.799 45.894 45.100 -0.009 0.000 0.902 957 G HN 0.044 nan 8.290 nan 0.000 0.500 958 K N -0.177 120.226 120.400 0.005 0.000 2.095 958 K HA 0.572 4.893 4.320 0.001 0.000 0.252 958 K C 1.385 177.995 176.600 0.017 0.000 0.977 958 K CA -0.121 56.172 56.287 0.010 0.000 0.900 958 K CB 0.877 33.386 32.500 0.014 0.000 1.060 958 K HN 0.327 nan 8.250 nan 0.000 0.449 959 G N 1.277 110.086 108.800 0.014 0.000 2.720 959 G HA2 -0.091 3.869 3.960 0.001 0.000 0.237 959 G HA3 -0.091 3.869 3.960 0.001 0.000 0.237 959 G C 0.803 175.728 174.900 0.040 0.000 1.239 959 G CA -0.270 44.840 45.100 0.017 0.000 0.847 959 G HN 0.590 nan 8.290 nan 0.000 0.593 960 L N 1.310 122.560 121.223 0.046 0.000 1.989 960 L HA -0.074 4.267 4.340 0.001 0.000 0.211 960 L C 2.591 179.519 176.870 0.096 0.000 1.071 960 L CA 1.719 56.614 54.840 0.092 0.000 0.749 960 L CB -0.543 41.555 42.059 0.065 0.000 0.890 960 L HN 0.521 nan 8.230 nan 0.000 0.431 961 I N -0.246 120.356 120.570 0.052 0.000 2.286 961 I HA -0.212 3.958 4.170 0.001 0.000 0.245 961 I C 2.330 178.458 176.117 0.019 0.000 1.104 961 I CA 1.212 62.530 61.300 0.031 0.000 1.397 961 I CB -0.455 37.549 38.000 0.007 0.000 1.072 961 I HN 0.358 nan 8.210 nan 0.000 0.417 962 E N -0.033 120.178 120.200 0.018 0.000 2.533 962 E HA -0.081 4.269 4.350 0.001 0.000 0.201 962 E C 1.564 178.176 176.600 0.020 0.000 1.097 962 E CA 0.620 57.028 56.400 0.012 0.000 0.887 962 E CB 0.121 29.827 29.700 0.010 0.000 0.855 962 E HN 0.535 nan 8.360 nan 0.000 0.540 963 A N -0.608 122.230 122.820 0.030 0.000 2.083 963 A HA -0.007 4.313 4.320 0.001 0.000 0.209 963 A C 2.177 179.764 177.584 0.005 0.000 1.969 963 A CA 0.632 52.686 52.037 0.029 0.000 0.933 963 A CB -0.761 18.270 19.000 0.052 0.000 1.304 963 A HN 0.374 nan 8.150 nan 0.000 0.621 964 T N 0.521 115.072 114.554 -0.005 0.000 2.684 964 T HA -0.287 4.063 4.350 0.001 0.000 0.267 964 T C 1.807 176.485 174.700 -0.037 0.000 1.032 964 T CA 1.971 64.031 62.100 -0.067 0.000 1.155 964 T CB -1.045 67.816 68.868 -0.011 0.000 0.857 964 T HN 0.253 nan 8.240 nan 0.000 0.457 965 L N 1.261 122.472 121.223 -0.021 0.000 1.956 965 L HA -0.148 4.193 4.340 0.001 0.000 0.216 965 L C 2.879 179.753 176.870 0.008 0.000 1.073 965 L CA 2.028 56.852 54.840 -0.025 0.000 0.762 965 L CB -0.798 41.239 42.059 -0.037 0.000 0.889 965 L HN 0.191 nan 8.230 nan 0.000 0.433 966 D N -0.147 120.265 120.400 0.021 0.000 2.221 966 D HA -0.150 4.491 4.640 0.001 0.000 0.204 966 D C 2.104 178.443 176.300 0.065 0.000 0.982 966 D CA 1.375 55.403 54.000 0.048 0.000 0.857 966 D CB -0.044 40.787 40.800 0.053 0.000 0.934 966 D HN 0.384 nan 8.370 nan 0.000 0.475 967 A N 0.297 123.145 122.820 0.047 0.000 1.897 967 A HA -0.082 4.239 4.320 0.001 0.000 0.215 967 A C 2.350 179.927 177.584 -0.011 0.000 1.181 967 A CA 0.779 52.839 52.037 0.039 0.000 0.620 967 A CB -0.681 18.321 19.000 0.004 0.000 0.821 967 A HN 0.177 nan 8.150 nan 0.000 0.443 968 V N -0.155 119.769 119.914 0.018 0.000 2.970 968 V HA -0.107 4.013 4.120 0.001 0.000 0.260 968 V C 2.493 178.688 176.094 0.168 0.000 1.100 968 V CA 1.968 64.320 62.300 0.087 0.000 1.122 968 V CB -0.615 31.275 31.823 0.111 0.000 0.721 968 V HN 0.597 nan 8.190 nan 0.000 0.483 969 R N 0.230 120.801 120.500 0.119 0.000 2.087 969 R HA 0.036 4.377 4.340 0.001 0.000 0.213 969 R C 2.331 178.674 176.300 0.072 0.000 1.137 969 R CA 1.612 57.787 56.100 0.125 0.000 1.022 969 R CB -0.528 29.836 30.300 0.106 0.000 0.920 969 R HN 0.602 nan 8.270 nan 0.000 0.451 970 M N 0.179 119.816 119.600 0.061 0.000 2.358 970 M HA -0.027 4.453 4.480 0.001 0.000 0.264 970 M C -0.003 176.292 176.300 -0.007 0.000 1.064 970 M CA 1.574 56.913 55.300 0.064 0.000 1.093 970 M CB 0.120 32.788 32.600 0.114 0.000 1.401 970 M HN -0.143 nan 8.290 nan 0.000 0.440 971 R N 1.568 122.010 120.500 -0.097 0.000 2.547 971 R HA 0.294 4.635 4.340 0.001 0.000 0.280 971 R C 0.323 176.553 176.300 -0.116 0.000 1.630 971 R CA -0.279 55.725 56.100 -0.160 0.000 1.470 971 R CB 1.166 31.243 30.300 -0.372 0.000 1.178 971 R HN 0.312 nan 8.270 nan 0.000 0.591 972 L N 1.560 122.749 121.223 -0.057 0.000 2.445 972 L HA 0.234 4.574 4.340 0.001 0.000 0.207 972 L C 1.977 178.829 176.870 -0.030 0.000 1.053 972 L CA 1.363 56.138 54.840 -0.108 0.000 0.841 972 L CB -0.402 41.527 42.059 -0.217 0.000 1.074 972 L HN 0.526 nan 8.230 nan 0.000 0.479 973 R N 0.810 121.372 120.500 0.103 0.000 2.094 973 R HA -0.162 4.179 4.340 0.001 0.000 0.239 973 R C -0.470 175.818 176.300 -0.020 0.000 1.137 973 R CA 2.324 58.541 56.100 0.194 0.000 0.943 973 R CB -1.352 29.067 30.300 0.198 0.000 0.850 973 R HN 0.250 nan 8.270 nan 0.000 0.433 974 P HA -0.209 nan 4.420 nan 0.000 0.217 974 P C 1.182 178.396 177.300 -0.145 0.000 1.151 974 P CA 1.540 64.560 63.100 -0.134 0.000 0.849 974 P CB -0.175 31.442 31.700 -0.139 0.000 0.787 975 I N -1.915 118.584 120.570 -0.118 0.000 2.094 975 I HA -0.174 3.996 4.170 0.001 0.000 0.234 975 I C 2.312 178.369 176.117 -0.101 0.000 1.063 975 I CA 1.406 62.639 61.300 -0.112 0.000 1.328 975 I CB -1.879 36.055 38.000 -0.109 0.000 1.058 975 I HN -0.085 nan 8.210 nan 0.000 0.400 976 L N 0.172 121.360 121.223 -0.059 0.000 2.051 976 L HA -0.244 4.096 4.340 0.001 0.000 0.214 976 L C 2.812 179.615 176.870 -0.111 0.000 1.076 976 L CA 1.975 56.822 54.840 0.012 0.000 0.758 976 L CB -0.581 41.604 42.059 0.210 0.000 0.890 976 L HN 0.209 nan 8.230 nan 0.000 0.433 977 M N -1.815 117.559 119.600 -0.376 0.000 2.126 977 M HA -0.267 4.213 4.480 0.001 0.000 0.259 977 M C 2.299 178.402 176.300 -0.330 0.000 1.073 977 M CA 2.485 57.346 55.300 -0.732 0.000 1.103 977 M CB -0.832 31.333 32.600 -0.725 0.000 1.284 977 M HN 0.231 nan 8.290 nan 0.000 0.420 978 T N 0.130 114.554 114.554 -0.216 0.000 2.635 978 T HA -0.199 4.151 4.350 0.001 0.000 0.267 978 T C 1.936 176.612 174.700 -0.040 0.000 1.040 978 T CA 2.057 64.085 62.100 -0.120 0.000 1.156 978 T CB -0.426 68.363 68.868 -0.132 0.000 0.863 978 T HN 0.445 nan 8.240 nan 0.000 0.430 979 S N 0.468 116.143 115.700 -0.042 0.000 2.359 979 S HA -0.133 4.338 4.470 0.001 0.000 0.222 979 S C 2.011 176.664 174.600 0.089 0.000 1.038 979 S CA 1.432 59.650 58.200 0.031 0.000 1.051 979 S CB -0.587 62.620 63.200 0.011 0.000 0.944 979 S HN 0.324 nan 8.310 nan 0.000 0.433 980 L N 1.223 122.481 121.223 0.059 0.000 2.131 980 L HA 0.056 4.397 4.340 0.001 0.000 0.210 980 L C 2.618 179.547 176.870 0.099 0.000 1.092 980 L CA 1.567 56.469 54.840 0.104 0.000 0.759 980 L CB -0.825 41.336 42.059 0.170 0.000 0.903 980 L HN 0.437 nan 8.230 nan 0.000 0.435 981 A N -1.160 121.697 122.820 0.062 0.000 1.877 981 A HA -0.262 4.059 4.320 0.001 0.000 0.216 981 A C 2.205 179.864 177.584 0.124 0.000 1.186 981 A CA 1.769 53.851 52.037 0.075 0.000 0.620 981 A CB -0.985 18.033 19.000 0.030 0.000 0.822 981 A HN 0.397 nan 8.150 nan 0.000 0.443 982 F N 0.586 120.528 119.950 -0.013 0.000 2.075 982 F HA -0.117 4.411 4.527 0.001 0.000 0.297 982 F C 2.059 177.863 175.800 0.008 0.000 1.113 982 F CA 1.667 59.664 58.000 -0.005 0.000 1.218 982 F CB -0.301 38.692 39.000 -0.012 0.000 0.984 982 F HN 0.164 nan 8.300 nan 0.000 0.472 983 I N -0.095 120.545 120.570 0.117 0.000 2.286 983 I HA -0.285 3.885 4.170 0.001 0.000 0.248 983 I C 1.758 177.864 176.117 -0.018 0.000 1.115 983 I CA 1.178 62.492 61.300 0.024 0.000 1.392 983 I CB -0.503 37.547 38.000 0.085 0.000 1.065 983 I HN 0.068 nan 8.210 nan 0.000 0.418 984 L N 0.423 121.659 121.223 0.021 0.000 2.645 984 L HA 0.139 4.479 4.340 0.001 0.000 0.234 984 L C 1.560 178.423 176.870 -0.012 0.000 1.165 984 L CA 0.207 55.058 54.840 0.019 0.000 0.944 984 L CB -0.174 41.923 42.059 0.063 0.000 1.149 984 L HN 0.265 nan 8.230 nan 0.000 0.446 985 G N -2.096 106.659 108.800 -0.075 0.000 3.443 985 G HA2 0.146 4.106 3.960 0.001 0.000 0.252 985 G HA3 0.146 4.106 3.960 0.001 0.000 0.252 985 G C 0.788 175.564 174.900 -0.207 0.000 1.015 985 G CA 0.135 45.174 45.100 -0.102 0.000 0.891 985 G HN 0.088 nan 8.290 nan 0.000 0.510 986 V N 0.756 120.500 119.914 -0.284 0.000 3.645 986 V HA 0.141 4.261 4.120 0.001 0.000 0.275 986 V C 2.215 178.207 176.094 -0.169 0.000 1.356 986 V CA 0.653 62.768 62.300 -0.308 0.000 1.051 986 V CB 0.746 32.271 31.823 -0.497 0.000 0.828 986 V HN 0.288 nan 8.190 nan 0.000 0.441 987 M N 1.668 121.198 119.600 -0.117 0.000 2.108 987 M HA -0.131 4.350 4.480 0.001 0.000 0.257 987 M C -0.546 175.722 176.300 -0.054 0.000 1.071 987 M CA 2.603 57.866 55.300 -0.061 0.000 1.093 987 M CB -1.338 31.244 32.600 -0.030 0.000 1.345 987 M HN 0.220 nan 8.290 nan 0.000 0.403 988 P HA -0.134 nan 4.420 nan 0.000 0.211 988 P C 1.723 178.992 177.300 -0.051 0.000 1.179 988 P CA 1.519 64.591 63.100 -0.046 0.000 0.910 988 P CB -0.326 31.346 31.700 -0.048 0.000 0.785 989 L N -0.905 120.275 121.223 -0.071 0.000 2.103 989 L HA -0.205 4.136 4.340 0.001 0.000 0.215 989 L C 2.176 179.002 176.870 -0.074 0.000 1.080 989 L CA 1.521 56.310 54.840 -0.084 0.000 0.764 989 L CB -1.540 40.438 42.059 -0.135 0.000 0.890 989 L HN -0.118 nan 8.230 nan 0.000 0.435 990 V N -0.812 119.064 119.914 -0.064 0.000 3.141 990 V HA -0.115 4.005 4.120 0.001 0.000 0.265 990 V C 1.931 178.012 176.094 -0.022 0.000 1.126 990 V CA 0.713 62.987 62.300 -0.043 0.000 1.141 990 V CB -0.690 31.113 31.823 -0.033 0.000 0.743 990 V HN 0.257 nan 8.190 nan 0.000 0.492 991 I N -1.106 119.451 120.570 -0.021 0.000 6.079 991 I HA 0.298 4.468 4.170 0.001 0.000 0.229 991 I C 1.134 177.247 176.117 -0.007 0.000 0.875 991 I CA 0.387 61.682 61.300 -0.008 0.000 1.748 991 I CB -1.190 36.808 38.000 -0.004 0.000 1.402 991 I HN 0.361 nan 8.210 nan 0.000 0.461 992 S N 0.050 115.746 115.700 -0.007 0.000 3.441 992 S HA -0.119 4.351 4.470 0.001 0.000 0.856 992 S C -0.242 174.366 174.600 0.014 0.000 1.189 992 S CA 0.606 58.803 58.200 -0.005 0.000 0.923 992 S CB -0.461 62.727 63.200 -0.020 0.000 0.627 992 S HN 0.751 nan 8.310 nan 0.000 0.276 993 T N 3.430 118.000 114.554 0.026 0.000 2.901 993 T HA 0.785 5.136 4.350 0.001 0.000 0.293 993 T C 1.351 176.099 174.700 0.081 0.000 1.084 993 T CA 0.075 62.211 62.100 0.060 0.000 1.008 993 T CB 1.155 70.065 68.868 0.070 0.000 1.170 993 T HN 2.095 nan 8.240 nan 0.000 0.509 994 G N 1.529 110.427 108.800 0.163 0.000 4.610 994 G HA2 -0.189 3.772 3.960 0.001 0.000 0.323 994 G HA3 -0.189 3.772 3.960 0.001 0.000 0.323 994 G C 0.554 175.543 174.900 0.148 0.000 1.377 994 G CA 0.287 45.573 45.100 0.311 0.000 1.023 994 G HN 1.656 nan 8.290 nan 0.000 0.755 995 A N 1.541 124.221 122.820 -0.233 0.000 2.473 995 A HA 0.605 4.925 4.320 0.001 0.000 0.282 995 A C 2.017 179.510 177.584 -0.152 0.000 1.163 995 A CA 1.473 53.209 52.037 -0.501 0.000 0.827 995 A CB -0.742 17.936 19.000 -0.538 0.000 1.098 995 A HN 2.685 nan 8.150 nan 0.000 0.515 996 G N 2.474 111.316 108.800 0.069 0.000 2.352 996 G HA2 -0.357 3.603 3.960 0.001 0.000 0.295 996 G HA3 -0.357 3.603 3.960 0.001 0.000 0.295 996 G C 1.251 176.224 174.900 0.121 0.000 0.991 996 G CA 1.448 46.654 45.100 0.177 0.000 0.796 996 G HN 1.953 nan 8.290 nan 0.000 0.511 997 S N -1.015 114.739 115.700 0.089 0.000 2.447 997 S HA 0.111 4.582 4.470 0.001 0.000 0.233 997 S C 2.532 177.150 174.600 0.030 0.000 1.006 997 S CA 1.247 59.475 58.200 0.047 0.000 0.957 997 S CB -0.462 62.762 63.200 0.039 0.000 0.773 997 S HN 1.425 nan 8.310 nan 0.000 0.507 998 G N 2.128 110.976 108.800 0.079 0.000 2.553 998 G HA2 -0.169 3.791 3.960 0.001 0.000 0.218 998 G HA3 -0.169 3.791 3.960 0.001 0.000 0.218 998 G C 1.712 176.592 174.900 -0.033 0.000 1.195 998 G CA 1.444 46.579 45.100 0.059 0.000 0.779 998 G HN 0.844 nan 8.290 nan 0.000 0.577 999 A N 0.289 123.053 122.820 -0.094 0.000 1.841 999 A HA -0.167 4.154 4.320 0.001 0.000 0.216 999 A C 2.283 179.560 177.584 -0.510 0.000 1.199 999 A CA 2.120 53.858 52.037 -0.497 0.000 0.621 999 A CB -0.808 17.835 19.000 -0.595 0.000 0.835 999 A HN 0.456 nan 8.150 nan 0.000 0.445 1000 Q N -0.555 119.045 119.800 -0.332 0.000 2.534 1000 Q HA -0.226 4.114 4.340 0.001 0.000 0.218 1000 Q C 1.373 177.210 176.000 -0.271 0.000 0.989 1000 Q CA 1.594 57.177 55.803 -0.366 0.000 0.903 1000 Q CB -0.397 28.284 28.738 -0.095 0.000 0.942 1000 Q HN 0.832 nan 8.270 nan 0.000 0.501 1001 N N -1.251 117.332 118.700 -0.196 0.000 2.454 1001 N HA 0.082 4.822 4.740 0.001 0.000 0.177 1001 N C 1.537 176.991 175.510 -0.092 0.000 1.049 1001 N CA 0.431 53.413 53.050 -0.113 0.000 0.887 1001 N CB 0.156 38.611 38.487 -0.054 0.000 1.095 1001 N HN 0.110 nan 8.380 nan 0.000 0.446 1002 A N 1.080 123.838 122.820 -0.104 0.000 1.858 1002 A HA -0.078 4.242 4.320 0.001 0.000 0.216 1002 A C 2.299 179.875 177.584 -0.014 0.000 1.190 1002 A CA 1.120 53.156 52.037 -0.002 0.000 0.617 1002 A CB -0.943 18.091 19.000 0.057 0.000 0.827 1002 A HN 0.058 nan 8.150 nan 0.000 0.443 1003 V N -0.184 119.613 119.914 -0.196 0.000 2.317 1003 V HA -0.266 3.855 4.120 0.001 0.000 0.251 1003 V C 2.631 178.621 176.094 -0.173 0.000 1.065 1003 V CA 2.287 64.431 62.300 -0.261 0.000 1.049 1003 V CB -1.272 30.166 31.823 -0.642 0.000 0.651 1003 V HN 0.663 nan 8.190 nan 0.000 0.450 1004 G N -1.359 107.338 108.800 -0.172 0.000 2.518 1004 G HA2 -0.149 3.812 3.960 0.001 0.000 0.213 1004 G HA3 -0.149 3.812 3.960 0.001 0.000 0.213 1004 G C 1.613 176.489 174.900 -0.040 0.000 1.226 1004 G CA 1.067 46.097 45.100 -0.117 0.000 0.822 1004 G HN 0.408 nan 8.290 nan 0.000 0.546 1005 T N 1.334 115.880 114.554 -0.013 0.000 2.624 1005 T HA -0.217 4.134 4.350 0.001 0.000 0.266 1005 T C 2.390 177.144 174.700 0.089 0.000 1.050 1005 T CA 2.040 64.161 62.100 0.035 0.000 1.163 1005 T CB -0.939 67.951 68.868 0.037 0.000 0.861 1005 T HN 0.394 nan 8.240 nan 0.000 0.443 1006 G N 0.549 109.441 108.800 0.153 0.000 2.459 1006 G HA2 -0.186 3.774 3.960 0.001 0.000 0.217 1006 G HA3 -0.186 3.774 3.960 0.001 0.000 0.217 1006 G C 1.742 176.709 174.900 0.110 0.000 1.183 1006 G CA 0.942 46.195 45.100 0.255 0.000 0.776 1006 G HN 0.455 nan 8.290 nan 0.000 0.552 1007 V N 0.657 120.604 119.914 0.054 0.000 2.358 1007 V HA -0.162 3.958 4.120 0.001 0.000 0.246 1007 V C 2.644 178.798 176.094 0.101 0.000 1.047 1007 V CA 2.223 64.570 62.300 0.078 0.000 1.035 1007 V CB -0.263 31.604 31.823 0.073 0.000 0.658 1007 V HN 0.519 nan 8.190 nan 0.000 0.452 1008 M N 0.249 119.880 119.600 0.052 0.000 2.139 1008 M HA -0.070 4.411 4.480 0.001 0.000 0.260 1008 M C 2.176 178.519 176.300 0.071 0.000 1.078 1008 M CA 2.574 57.905 55.300 0.051 0.000 1.106 1008 M CB -0.944 31.667 32.600 0.018 0.000 1.275 1008 M HN 0.308 nan 8.290 nan 0.000 0.425 1009 G N -0.865 107.974 108.800 0.065 0.000 2.503 1009 G HA2 -0.223 3.738 3.960 0.001 0.000 0.221 1009 G HA3 -0.223 3.738 3.960 0.001 0.000 0.221 1009 G C 1.343 176.279 174.900 0.060 0.000 1.131 1009 G CA 1.111 46.247 45.100 0.059 0.000 0.756 1009 G HN 0.683 nan 8.290 nan 0.000 0.572 1010 G N 0.526 109.371 108.800 0.076 0.000 2.524 1010 G HA2 -0.212 3.748 3.960 0.001 0.000 0.215 1010 G HA3 -0.212 3.748 3.960 0.001 0.000 0.215 1010 G C 1.755 176.693 174.900 0.063 0.000 1.239 1010 G CA 1.091 46.229 45.100 0.063 0.000 0.798 1010 G HN 0.252 nan 8.290 nan 0.000 0.557 1011 M N 0.548 120.205 119.600 0.095 0.000 2.435 1011 M HA -0.021 4.459 4.480 0.001 0.000 0.262 1011 M C 2.600 178.950 176.300 0.083 0.000 1.065 1011 M CA 0.497 55.862 55.300 0.108 0.000 1.076 1011 M CB -0.658 32.081 32.600 0.231 0.000 1.403 1011 M HN 0.118 nan 8.290 nan 0.000 0.454 1012 V N 0.272 120.230 119.914 0.073 0.000 2.216 1012 V HA -0.284 3.836 4.120 0.001 0.000 0.242 1012 V C 2.573 178.691 176.094 0.040 0.000 1.042 1012 V CA 2.524 64.858 62.300 0.056 0.000 0.991 1012 V CB -1.310 30.545 31.823 0.052 0.000 0.633 1012 V HN 0.563 nan 8.190 nan 0.000 0.449 1013 T N -0.342 114.233 114.554 0.035 0.000 2.759 1013 T HA -0.146 4.204 4.350 0.001 0.000 0.269 1013 T C 1.648 176.362 174.700 0.023 0.000 1.042 1013 T CA 1.360 63.477 62.100 0.028 0.000 1.140 1013 T CB -0.663 68.216 68.868 0.018 0.000 0.864 1013 T HN 0.504 nan 8.240 nan 0.000 0.455 1014 A N 1.403 124.238 122.820 0.026 0.000 2.265 1014 A HA 0.191 4.511 4.320 0.001 0.000 0.203 1014 A C 2.117 179.708 177.584 0.011 0.000 1.285 1014 A CA 1.501 53.553 52.037 0.024 0.000 0.839 1014 A CB -1.121 17.893 19.000 0.024 0.000 0.758 1014 A HN 0.874 nan 8.150 nan 0.000 0.502 1015 T N -5.786 108.767 114.554 -0.003 0.000 3.545 1015 T HA 0.040 4.390 4.350 0.001 0.000 0.274 1015 T C 0.605 175.249 174.700 -0.093 0.000 0.989 1015 T CA 0.699 62.775 62.100 -0.040 0.000 1.129 1015 T CB -0.565 68.284 68.868 -0.031 0.000 1.165 1015 T HN 0.261 nan 8.240 nan 0.000 0.436 1016 V N 2.249 122.124 119.914 -0.065 0.000 3.102 1016 V HA 0.496 4.616 4.120 0.001 0.000 0.371 1016 V C 0.794 176.862 176.094 -0.043 0.000 1.414 1016 V CA 0.456 62.693 62.300 -0.105 0.000 1.565 1016 V CB -1.221 30.599 31.823 -0.003 0.000 1.273 1016 V HN 0.445 nan 8.190 nan 0.000 0.478 1017 L N -0.491 120.699 121.223 -0.054 0.000 1.645 1017 L HA 0.268 4.608 4.340 0.001 0.000 0.177 1017 L C 2.156 179.165 176.870 0.232 0.000 1.266 1017 L CA 1.169 56.131 54.840 0.204 0.000 1.244 1017 L CB -0.607 41.507 42.059 0.091 0.000 2.568 1017 L HN 0.137 nan 8.230 nan 0.000 0.502 1018 A N 1.056 123.918 122.820 0.070 0.000 1.883 1018 A HA -0.205 4.115 4.320 0.001 0.000 0.217 1018 A C 1.974 179.576 177.584 0.031 0.000 1.186 1018 A CA 2.239 54.324 52.037 0.081 0.000 0.624 1018 A CB -1.013 18.009 19.000 0.038 0.000 0.822 1018 A HN 0.569 nan 8.150 nan 0.000 0.444 1019 I N -4.826 115.669 120.570 -0.124 0.000 2.850 1019 I HA -0.107 4.063 4.170 0.001 0.000 0.266 1019 I C 1.835 177.929 176.117 -0.038 0.000 1.257 1019 I CA 1.419 62.633 61.300 -0.144 0.000 1.465 1019 I CB -0.375 37.435 38.000 -0.317 0.000 1.091 1019 I HN 0.315 nan 8.210 nan 0.000 0.467 1020 F N -0.499 119.499 119.950 0.080 0.000 2.532 1020 F HA 0.240 4.767 4.527 0.001 0.000 0.278 1020 F C 1.839 177.441 175.800 -0.330 0.000 0.975 1020 F CA -0.130 57.768 58.000 -0.170 0.000 1.292 1020 F CB -0.283 38.553 39.000 -0.274 0.000 1.112 1020 F HN -0.136 nan 8.300 nan 0.000 0.703 1021 F N 0.507 120.400 119.950 -0.096 0.000 2.259 1021 F HA -0.096 4.431 4.527 0.001 0.000 0.298 1021 F C 2.183 177.499 175.800 -0.807 0.000 1.088 1021 F CA 0.640 58.332 58.000 -0.513 0.000 1.358 1021 F CB -0.855 37.780 39.000 -0.608 0.000 1.040 1021 F HN -0.270 nan 8.300 nan 0.000 0.505 1022 V N 0.847 120.671 119.914 -0.150 0.000 2.343 1022 V HA -0.206 3.915 4.120 0.001 0.000 0.247 1022 V C -0.422 175.734 176.094 0.103 0.000 1.051 1022 V CA 1.810 64.180 62.300 0.118 0.000 1.036 1022 V CB -1.792 30.153 31.823 0.205 0.000 0.654 1022 V HN 0.171 nan 8.190 nan 0.000 0.451 1023 P HA -0.074 nan 4.420 nan 0.000 0.220 1023 P C 1.671 178.980 177.300 0.014 0.000 1.148 1023 P CA 1.171 64.288 63.100 0.028 0.000 0.803 1023 P CB -0.088 31.588 31.700 -0.040 0.000 0.782 1024 V N -2.608 117.226 119.914 -0.133 0.000 2.951 1024 V HA -0.078 4.042 4.120 0.001 0.000 0.255 1024 V C 1.974 178.069 176.094 0.002 0.000 1.088 1024 V CA 0.985 63.202 62.300 -0.139 0.000 1.109 1024 V CB -1.286 30.358 31.823 -0.298 0.000 0.724 1024 V HN 0.028 nan 8.190 nan 0.000 0.471 1025 F N -0.239 119.752 119.950 0.069 0.000 1.992 1025 F HA -0.109 4.418 4.527 0.001 0.000 0.292 1025 F C 2.291 178.155 175.800 0.106 0.000 1.192 1025 F CA 1.876 59.916 58.000 0.067 0.000 1.157 1025 F CB -0.715 38.333 39.000 0.079 0.000 0.981 1025 F HN 0.132 nan 8.300 nan 0.000 0.483 1026 F N 1.417 121.500 119.950 0.222 0.000 2.077 1026 F HA -0.374 4.154 4.527 0.001 0.000 0.292 1026 F C 2.281 178.126 175.800 0.076 0.000 1.120 1026 F CA 2.151 60.210 58.000 0.098 0.000 1.246 1026 F CB -1.045 37.988 39.000 0.056 0.000 0.941 1026 F HN -0.217 nan 8.300 nan 0.000 0.514 1027 V N -0.609 119.428 119.914 0.205 0.000 2.282 1027 V HA -0.332 3.789 4.120 0.001 0.000 0.249 1027 V C 2.319 178.411 176.094 -0.003 0.000 1.057 1027 V CA 1.868 64.210 62.300 0.070 0.000 1.032 1027 V CB -0.802 31.092 31.823 0.117 0.000 0.645 1027 V HN 0.386 nan 8.190 nan 0.000 0.447 1028 V N -0.630 119.314 119.914 0.049 0.000 2.871 1028 V HA -0.104 4.017 4.120 0.001 0.000 0.256 1028 V C 2.212 178.337 176.094 0.052 0.000 1.082 1028 V CA 1.212 63.545 62.300 0.054 0.000 1.105 1028 V CB 0.554 32.426 31.823 0.082 0.000 0.713 1028 V HN 0.430 nan 8.190 nan 0.000 0.473 1029 V N -0.314 119.627 119.914 0.045 0.000 2.548 1029 V HA -0.129 3.991 4.120 0.001 0.000 0.249 1029 V C 2.611 178.684 176.094 -0.036 0.000 1.055 1029 V CA 1.467 63.796 62.300 0.049 0.000 1.065 1029 V CB -0.734 31.130 31.823 0.069 0.000 0.681 1029 V HN 0.416 nan 8.190 nan 0.000 0.462 1030 R N 0.594 120.988 120.500 -0.177 0.000 2.075 1030 R HA 0.062 4.402 4.340 0.001 0.000 0.226 1030 R C 1.847 178.119 176.300 -0.045 0.000 1.114 1030 R CA 0.658 56.636 56.100 -0.203 0.000 0.972 1030 R CB -0.413 29.636 30.300 -0.419 0.000 0.869 1030 R HN 0.433 nan 8.270 nan 0.000 0.437 1031 R N 1.146 121.633 120.500 -0.021 0.000 3.441 1031 R HA 0.081 4.421 4.340 0.001 0.000 0.225 1031 R C 0.020 176.356 176.300 0.059 0.000 1.756 1031 R CA 0.253 56.368 56.100 0.025 0.000 1.504 1031 R CB -0.063 30.249 30.300 0.020 0.000 1.183 1031 R HN -0.057 nan 8.270 nan 0.000 0.567 1032 R N 0.561 121.113 120.500 0.087 0.000 2.837 1032 R HA 0.091 4.432 4.340 0.001 0.000 0.245 1032 R C -1.073 175.323 176.300 0.160 0.000 1.712 1032 R CA -0.372 55.794 56.100 0.111 0.000 1.539 1032 R CB 0.329 30.689 30.300 0.100 0.000 1.490 1032 R HN 0.030 nan 8.270 nan 0.000 0.667 1033 F N 0.000 119.964 119.950 0.023 0.000 2.286 1033 F HA 0.000 4.527 4.527 0.001 0.000 0.279 1033 F CA 0.000 58.016 58.000 0.026 0.000 1.383 1033 F CB 0.000 39.006 39.000 0.010 0.000 1.145 1033 F HN 0.000 nan 8.300 nan 0.000 0.574