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 2j8s_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPNFFIDRPI FAWVIAIIIM LAGGLAILKL PVAQYPTIAP PAVTISASYP DATA SEQUENCE GADAKTVQDT VTQVIEQNMN GIDNLMYMSS NSDSTGTVQI TLTFESGTDA DATA SEQUENCE DIAQVQVQNK LQLAMPLLPQ EVQQQGVSVE KSSSSFLMVV GVINTDGTMT DATA SEQUENCE QEDISDYVAA NMKDAISRTS GVGDVQLFGS QYAMRIWMNP NELNKFQLTP DATA SEQUENCE VDVITAIKAQ NAQVAAGQLG GTPPVKGQQL NASIIAQTRL TSTEEFGKIL DATA SEQUENCE LKVNQDGSRV LLRDVAKIEL GGENYDIIAE FNGQPASGLG IKLATGANAL DATA SEQUENCE DTAAAIRAEL AKMEPFFPSG LKIVYPYDTT PFVKISIHEV VKTLVEAIIL DATA SEQUENCE VFLVMYLFLQ NFRATLIPTI AVPVVLLGTF AVLAAFGFSI NTLTMFGMVL DATA SEQUENCE AIGLLVDDAI VVVENVERVM AEEGLPPKEA TRKSMGQIQG ALVGIAMVLS DATA SEQUENCE AVFVPMAFFG GSTGAIYRQF SITIVSAMAL SVLVALILTP ALCATMLKPI DATA SEQUENCE AKGDHGEGKK GFFGWFNRMF EKSTHHYTDS VGGILRSTGR YLVLYLIIVV DATA SEQUENCE GMAYLFVRLP SSFLPDEDQG VFMTMVQLPA GATQERTQKV LNEVTHYYLT DATA SEQUENCE KEKNNVESVF AVNGFGFAGR GQNTGIAFVS LKDWADRPGE ENKVEAITMR DATA SEQUENCE ATRAFSQIKD AMVFAFNLPA IVELGTATGF DFELIDQAGL GHEKLTQARN DATA SEQUENCE QLLAEAAKHP DMLTSVRPNG LEDTPQFKID IDQEKAQALG VSINDINTTL DATA SEQUENCE GAAWGGSYVN DFIDRGRVKK VYVMSEAKYR MLPDDIGDWY VRAADGQMVP DATA SEQUENCE FSAFSSSRWE YGSPRLERYN GLPSMEILGQ AAPGKSTGEA MELMEQLASK DATA SEQUENCE LPTGVGYDWT GMSYQERLSG NQAPSLYAIS LIVVFLCLAA LYESWSIPFS DATA SEQUENCE VMLVVPLGVI GALLAATFRG LTNDVYFQVG LLTTIGLSAK NAILIVEFAK DATA SEQUENCE DLMDKEGKGL IEATLDAVRM RLRPILMTSL AFILGVMPLV ISTGAGSGAQ DATA SEQUENCE NAVGTGVMGG MVTATVLAIF FVPVFFVVVR RRFSRKNEDI EHSH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.464 176.300 0.273 0.000 1.140 1 M CA 0.000 55.376 55.300 0.127 0.000 0.988 1 M CB 0.000 32.681 32.600 0.136 0.000 1.302 2 P HA -0.097 nan 4.420 nan 0.000 0.213 2 P C 0.866 178.287 177.300 0.202 0.000 1.170 2 P CA 2.602 65.838 63.100 0.227 0.000 0.898 2 P CB -0.342 31.429 31.700 0.119 0.000 0.787 3 N N -0.646 118.133 118.700 0.131 0.000 2.348 3 N HA -0.208 4.534 4.740 0.003 0.000 0.185 3 N C 1.459 177.014 175.510 0.074 0.000 1.019 3 N CA 1.013 54.115 53.050 0.088 0.000 0.880 3 N CB -1.770 36.754 38.487 0.061 0.000 0.965 3 N HN 0.135 nan 8.380 nan 0.000 0.437 4 F N 0.214 120.134 119.950 -0.050 0.000 2.171 4 F HA 0.072 4.601 4.527 0.003 0.000 0.300 4 F C 1.398 177.066 175.800 -0.220 0.000 1.090 4 F CA 1.106 59.003 58.000 -0.173 0.000 1.293 4 F CB -0.227 38.584 39.000 -0.315 0.000 1.013 4 F HN -0.005 nan 8.300 nan 0.000 0.486 5 F N -0.075 119.858 119.950 -0.028 0.000 2.512 5 F HA 0.048 4.577 4.527 0.004 0.000 0.296 5 F C 2.137 177.869 175.800 -0.113 0.000 1.110 5 F CA 0.448 58.374 58.000 -0.124 0.000 1.446 5 F CB -0.362 38.624 39.000 -0.024 0.000 1.092 5 F HN -0.089 nan 8.300 nan 0.000 0.554 6 I N 0.312 120.930 120.570 0.079 0.000 2.208 6 I HA -0.301 3.871 4.170 0.003 0.000 0.245 6 I C 1.123 177.237 176.117 -0.006 0.000 1.097 6 I CA 1.594 62.920 61.300 0.043 0.000 1.363 6 I CB -0.415 37.607 38.000 0.037 0.000 1.051 6 I HN 0.036 nan 8.210 nan 0.000 0.413 7 D N 0.719 121.070 120.400 -0.083 0.000 2.349 7 D HA 0.013 4.655 4.640 0.003 0.000 0.224 7 D C 0.218 176.443 176.300 -0.124 0.000 1.029 7 D CA 0.509 54.447 54.000 -0.104 0.000 0.879 7 D CB 0.130 40.846 40.800 -0.140 0.000 0.906 7 D HN 0.265 nan 8.370 nan 0.000 0.528 8 R N -0.147 120.289 120.500 -0.107 0.000 2.687 8 R HA 0.182 4.525 4.340 0.003 0.000 0.264 8 R C -2.289 174.095 176.300 0.139 0.000 1.715 8 R CA -1.138 54.951 56.100 -0.018 0.000 1.633 8 R CB 1.313 31.528 30.300 -0.140 0.000 1.353 8 R HN -0.035 nan 8.270 nan 0.000 0.653 9 P HA -0.107 nan 4.420 nan 0.000 0.215 9 P C 1.255 178.751 177.300 0.327 0.000 1.153 9 P CA 1.087 64.317 63.100 0.216 0.000 0.853 9 P CB 0.273 32.083 31.700 0.184 0.000 0.788 10 I N -1.968 118.754 120.570 0.252 0.000 2.252 10 I HA -0.235 3.937 4.170 0.003 0.000 0.245 10 I C 2.316 178.634 176.117 0.336 0.000 1.102 10 I CA 1.433 62.886 61.300 0.256 0.000 1.385 10 I CB -0.583 37.509 38.000 0.153 0.000 1.064 10 I HN -0.095 nan 8.210 nan 0.000 0.414 11 F N 1.833 121.892 119.950 0.182 0.000 2.134 11 F HA -0.270 4.260 4.527 0.004 0.000 0.299 11 F C 2.592 178.531 175.800 0.232 0.000 1.097 11 F CA 1.333 59.461 58.000 0.214 0.000 1.264 11 F CB -0.021 39.122 39.000 0.238 0.000 1.001 11 F HN 0.019 nan 8.300 nan 0.000 0.479 12 A N 0.042 122.826 122.820 -0.059 0.000 1.908 12 A HA -0.267 4.055 4.320 0.003 0.000 0.218 12 A C 1.910 179.316 177.584 -0.297 0.000 1.181 12 A CA 1.789 53.586 52.037 -0.399 0.000 0.627 12 A CB -1.676 17.165 19.000 -0.266 0.000 0.818 12 A HN 0.708 nan 8.150 nan 0.000 0.445 13 W N -0.430 120.794 121.300 -0.126 0.000 2.388 13 W HA -0.084 4.577 4.660 0.003 0.000 0.294 13 W C 2.292 178.772 176.519 -0.065 0.000 1.212 13 W CA 1.371 58.666 57.345 -0.084 0.000 1.271 13 W CB -0.322 29.118 29.460 -0.032 0.000 1.126 13 W HN 0.135 nan 8.180 nan 0.000 0.535 14 V N 0.484 120.526 119.914 0.213 0.000 2.343 14 V HA -0.319 3.803 4.120 0.003 0.000 0.247 14 V C 1.929 178.071 176.094 0.080 0.000 1.051 14 V CA 1.676 64.084 62.300 0.180 0.000 1.036 14 V CB -0.776 31.218 31.823 0.284 0.000 0.654 14 V HN 0.151 nan 8.190 nan 0.000 0.451 15 I N 0.412 120.948 120.570 -0.056 0.000 2.179 15 I HA -0.244 3.928 4.170 0.003 0.000 0.242 15 I C 2.679 178.726 176.117 -0.117 0.000 1.088 15 I CA 1.565 62.792 61.300 -0.120 0.000 1.357 15 I CB -0.609 37.190 38.000 -0.335 0.000 1.051 15 I HN 0.294 nan 8.210 nan 0.000 0.409 16 A N 0.876 123.594 122.820 -0.170 0.000 1.933 16 A HA -0.171 4.151 4.320 0.003 0.000 0.218 16 A C 2.296 179.847 177.584 -0.054 0.000 1.175 16 A CA 1.474 53.414 52.037 -0.162 0.000 0.628 16 A CB -0.775 18.053 19.000 -0.285 0.000 0.814 16 A HN 0.402 nan 8.150 nan 0.000 0.444 17 I N -0.480 120.105 120.570 0.026 0.000 2.252 17 I HA -0.229 3.943 4.170 0.003 0.000 0.245 17 I C 2.281 178.414 176.117 0.028 0.000 1.102 17 I CA 1.166 62.504 61.300 0.064 0.000 1.385 17 I CB -0.306 37.764 38.000 0.117 0.000 1.064 17 I HN 0.312 nan 8.210 nan 0.000 0.414 18 I N 0.786 121.371 120.570 0.024 0.000 2.179 18 I HA -0.311 3.861 4.170 0.003 0.000 0.242 18 I C 2.505 178.619 176.117 -0.005 0.000 1.088 18 I CA 1.643 62.954 61.300 0.019 0.000 1.357 18 I CB -0.295 37.725 38.000 0.033 0.000 1.051 18 I HN 0.144 nan 8.210 nan 0.000 0.409 19 I N 0.253 120.808 120.570 -0.025 0.000 2.151 19 I HA -0.366 3.807 4.170 0.003 0.000 0.243 19 I C 2.690 178.787 176.117 -0.034 0.000 1.080 19 I CA 1.727 63.003 61.300 -0.040 0.000 1.339 19 I CB -0.290 37.669 38.000 -0.070 0.000 1.039 19 I HN 0.254 nan 8.210 nan 0.000 0.409 20 M N -0.031 119.550 119.600 -0.033 0.000 2.117 20 M HA -0.219 4.264 4.480 0.003 0.000 0.262 20 M C 2.392 178.671 176.300 -0.035 0.000 1.065 20 M CA 1.857 57.136 55.300 -0.035 0.000 1.114 20 M CB -0.376 32.208 32.600 -0.025 0.000 1.361 20 M HN 0.250 nan 8.290 nan 0.000 0.408 21 L N -0.273 120.938 121.223 -0.020 0.000 2.017 21 L HA -0.191 4.151 4.340 0.003 0.000 0.208 21 L C 2.867 179.724 176.870 -0.022 0.000 1.073 21 L CA 1.308 56.136 54.840 -0.019 0.000 0.745 21 L CB -1.043 41.014 42.059 -0.004 0.000 0.894 21 L HN 0.298 nan 8.230 nan 0.000 0.432 22 A N 0.520 123.331 122.820 -0.015 0.000 1.873 22 A HA -0.188 4.134 4.320 0.003 0.000 0.218 22 A C 2.414 179.990 177.584 -0.014 0.000 1.193 22 A CA 2.068 54.098 52.037 -0.011 0.000 0.629 22 A CB -1.457 17.536 19.000 -0.012 0.000 0.826 22 A HN 0.459 nan 8.150 nan 0.000 0.447 23 G N -0.823 107.965 108.800 -0.019 0.000 2.459 23 G HA2 0.002 3.964 3.960 0.003 0.000 0.217 23 G HA3 0.002 3.964 3.960 0.003 0.000 0.217 23 G C 1.600 176.458 174.900 -0.071 0.000 1.183 23 G CA 1.362 46.455 45.100 -0.013 0.000 0.776 23 G HN 0.793 nan 8.290 nan 0.000 0.552 24 G N 1.026 109.769 108.800 -0.094 0.000 2.476 24 G HA2 -0.194 3.768 3.960 0.003 0.000 0.218 24 G HA3 -0.194 3.768 3.960 0.003 0.000 0.218 24 G C 1.686 176.535 174.900 -0.086 0.000 1.164 24 G CA 1.193 46.222 45.100 -0.119 0.000 0.768 24 G HN 0.295 nan 8.290 nan 0.000 0.560 25 L N 1.571 122.765 121.223 -0.048 0.000 2.012 25 L HA -0.011 4.331 4.340 0.003 0.000 0.210 25 L C 3.349 180.208 176.870 -0.018 0.000 1.073 25 L CA 1.611 56.433 54.840 -0.029 0.000 0.748 25 L CB -1.726 40.326 42.059 -0.013 0.000 0.891 25 L HN 0.323 nan 8.230 nan 0.000 0.431 26 A N 0.038 122.856 122.820 -0.004 0.000 1.903 26 A HA -0.244 4.078 4.320 0.003 0.000 0.219 26 A C 2.388 179.989 177.584 0.029 0.000 1.191 26 A CA 2.142 54.198 52.037 0.031 0.000 0.638 26 A CB -0.865 18.177 19.000 0.070 0.000 0.823 26 A HN 0.414 nan 8.150 nan 0.000 0.451 27 I N -0.302 120.246 120.570 -0.035 0.000 2.361 27 I HA -0.244 3.928 4.170 0.003 0.000 0.251 27 I C 2.051 178.140 176.117 -0.046 0.000 1.133 27 I CA 1.011 62.263 61.300 -0.080 0.000 1.413 27 I CB -0.264 37.572 38.000 -0.272 0.000 1.073 27 I HN 0.309 nan 8.210 nan 0.000 0.424 28 L N 0.142 121.338 121.223 -0.045 0.000 2.376 28 L HA -0.112 4.230 4.340 0.003 0.000 0.219 28 L C 1.978 178.846 176.870 -0.004 0.000 1.133 28 L CA 0.828 55.650 54.840 -0.030 0.000 0.816 28 L CB -0.365 41.675 42.059 -0.033 0.000 0.933 28 L HN 0.232 nan 8.230 nan 0.000 0.449 29 K N -0.966 119.440 120.400 0.010 0.000 2.474 29 K HA 0.244 4.566 4.320 0.003 0.000 0.204 29 K C 0.299 176.923 176.600 0.041 0.000 1.220 29 K CA -0.356 55.945 56.287 0.023 0.000 0.966 29 K CB 0.097 32.611 32.500 0.023 0.000 1.049 29 K HN -0.015 nan 8.250 nan 0.000 0.554 30 L N 3.825 125.083 121.223 0.058 0.000 2.578 30 L HA 0.051 4.393 4.340 0.003 0.000 0.279 30 L C -2.171 174.742 176.870 0.072 0.000 1.227 30 L CA -1.438 53.452 54.840 0.083 0.000 0.900 30 L CB -0.500 41.637 42.059 0.131 0.000 1.144 30 L HN -0.027 nan 8.230 nan 0.000 0.496 31 P HA 0.206 nan 4.420 nan 0.000 0.274 31 P C -1.126 176.212 177.300 0.063 0.000 1.231 31 P CA -0.305 62.829 63.100 0.058 0.000 0.790 31 P CB 0.806 32.538 31.700 0.054 0.000 0.951 32 V N 1.727 121.670 119.914 0.049 0.000 2.448 32 V HA 0.754 4.876 4.120 0.003 0.000 0.295 32 V C 0.121 176.232 176.094 0.028 0.000 1.025 32 V CA -0.352 61.972 62.300 0.041 0.000 0.859 32 V CB 1.048 32.889 31.823 0.030 0.000 0.988 32 V HN 0.753 nan 8.190 nan 0.000 0.431 33 A N 3.213 126.049 122.820 0.028 0.000 2.569 33 A HA 0.641 4.963 4.320 0.003 0.000 0.290 33 A C 0.424 177.998 177.584 -0.016 0.000 1.136 33 A CA -0.406 51.645 52.037 0.024 0.000 0.710 33 A CB 1.890 20.925 19.000 0.059 0.000 1.303 33 A HN 0.664 nan 8.150 nan 0.000 0.413 34 Q N -1.062 118.704 119.800 -0.056 0.000 1.969 34 Q HA 0.020 4.362 4.340 0.003 0.000 0.198 34 Q C -0.576 175.252 176.000 -0.287 0.000 0.978 34 Q CA 1.618 57.276 55.803 -0.242 0.000 0.830 34 Q CB -0.073 28.474 28.738 -0.319 0.000 0.896 34 Q HN 0.692 nan 8.270 nan 0.000 0.431 35 Y N -0.727 119.661 120.300 0.146 0.000 2.634 35 Y HA 0.433 4.985 4.550 0.003 0.000 0.340 35 Y C -2.181 173.787 175.900 0.112 0.000 1.058 35 Y CA -3.005 55.178 58.100 0.138 0.000 1.081 35 Y CB 0.537 39.088 38.460 0.152 0.000 1.295 35 Y HN 0.127 nan 8.280 nan 0.000 0.487 36 P HA 0.068 nan 4.420 nan 0.000 0.276 36 P C -0.277 177.115 177.300 0.154 0.000 1.230 36 P CA -0.316 62.887 63.100 0.171 0.000 0.776 36 P CB 0.694 32.478 31.700 0.140 0.000 0.888 37 T N 0.831 115.450 114.554 0.109 0.000 2.761 37 T HA 0.102 4.454 4.350 0.003 0.000 0.262 37 T C 1.332 176.080 174.700 0.080 0.000 0.968 37 T CA -0.247 61.910 62.100 0.096 0.000 1.235 37 T CB -1.126 67.782 68.868 0.067 0.000 0.925 37 T HN 0.430 nan 8.240 nan 0.000 0.545 38 I N 1.677 122.303 120.570 0.092 0.000 2.685 38 I HA 0.470 4.642 4.170 0.003 0.000 0.251 38 I C 1.480 177.636 176.117 0.066 0.000 1.102 38 I CA -0.543 60.801 61.300 0.073 0.000 1.442 38 I CB -0.890 37.150 38.000 0.067 0.000 1.194 38 I HN 0.611 nan 8.210 nan 0.000 0.448 39 A N 4.155 127.019 122.820 0.072 0.000 2.616 39 A HA 0.037 4.359 4.320 0.003 0.000 0.242 39 A C -2.022 175.601 177.584 0.065 0.000 0.987 39 A CA -0.275 51.804 52.037 0.069 0.000 0.800 39 A CB -1.278 17.769 19.000 0.078 0.000 0.883 39 A HN 0.458 nan 8.150 nan 0.000 0.496 40 P HA 0.265 nan 4.420 nan 0.000 0.271 40 P C -2.636 174.706 177.300 0.070 0.000 1.220 40 P CA -1.149 61.989 63.100 0.065 0.000 0.768 40 P CB -0.017 31.714 31.700 0.052 0.000 0.848 41 P HA 0.189 nan 4.420 nan 0.000 0.267 41 P C -0.668 176.719 177.300 0.145 0.000 1.200 41 P CA 0.361 63.497 63.100 0.060 0.000 0.772 41 P CB 0.336 32.018 31.700 -0.030 0.000 0.855 42 A N 2.413 125.301 122.820 0.112 0.000 2.393 42 A HA 0.604 4.927 4.320 0.003 0.000 0.306 42 A C -1.121 176.544 177.584 0.135 0.000 1.050 42 A CA -0.565 51.563 52.037 0.152 0.000 0.724 42 A CB 1.245 20.301 19.000 0.094 0.000 1.248 42 A HN 0.311 nan 8.150 nan 0.000 0.424 43 V N 1.976 122.014 119.914 0.207 0.000 2.448 43 V HA 0.570 4.692 4.120 0.003 0.000 0.295 43 V C -0.017 176.145 176.094 0.114 0.000 1.025 43 V CA -0.273 62.114 62.300 0.146 0.000 0.859 43 V CB 1.805 33.745 31.823 0.195 0.000 0.988 43 V HN 0.918 nan 8.190 nan 0.000 0.431 44 T N 6.404 121.006 114.554 0.080 0.000 2.779 44 T HA 0.623 4.975 4.350 0.003 0.000 0.280 44 T C -0.255 174.481 174.700 0.060 0.000 0.987 44 T CA -0.114 62.028 62.100 0.070 0.000 0.966 44 T CB 0.808 69.718 68.868 0.071 0.000 0.933 44 T HN 0.385 nan 8.240 nan 0.000 0.442 45 I N 2.927 123.531 120.570 0.056 0.000 2.321 45 I HA 0.355 4.527 4.170 0.003 0.000 0.291 45 I C 0.284 176.431 176.117 0.050 0.000 0.998 45 I CA -0.319 61.009 61.300 0.047 0.000 1.227 45 I CB 1.320 39.345 38.000 0.041 0.000 1.368 45 I HN 0.496 nan 8.210 nan 0.000 0.466 46 S N 4.666 120.395 115.700 0.049 0.000 2.503 46 S HA 0.901 5.373 4.470 0.003 0.000 0.301 46 S C -0.391 174.239 174.600 0.049 0.000 1.087 46 S CA -0.609 57.624 58.200 0.054 0.000 1.042 46 S CB 2.095 65.331 63.200 0.060 0.000 1.043 46 S HN 0.745 nan 8.310 nan 0.000 0.489 47 A N 1.591 124.445 122.820 0.055 0.000 2.593 47 A HA 0.933 5.255 4.320 0.003 0.000 0.290 47 A C -0.910 176.718 177.584 0.074 0.000 1.126 47 A CA -0.806 51.264 52.037 0.054 0.000 0.695 47 A CB 1.592 20.619 19.000 0.044 0.000 1.290 47 A HN 1.189 nan 8.150 nan 0.000 0.414 48 S N -0.236 115.515 115.700 0.085 0.000 2.592 48 S HA 0.559 5.031 4.470 0.003 0.000 0.275 48 S C -1.514 173.196 174.600 0.185 0.000 1.169 48 S CA -0.353 57.922 58.200 0.126 0.000 0.958 48 S CB 0.784 64.049 63.200 0.109 0.000 1.095 48 S HN 1.119 nan 8.310 nan 0.000 0.471 49 Y N 3.691 124.032 120.300 0.069 0.000 2.417 49 Y HA 0.431 4.983 4.550 0.003 0.000 0.336 49 Y C -2.568 173.384 175.900 0.086 0.000 0.961 49 Y CA -2.808 55.339 58.100 0.077 0.000 1.215 49 Y CB 1.492 39.990 38.460 0.063 0.000 1.120 49 Y HN 0.498 nan 8.280 nan 0.000 0.499 50 P HA 0.011 nan 4.420 nan 0.000 0.260 50 P C 0.417 177.795 177.300 0.130 0.000 1.185 50 P CA 1.550 64.794 63.100 0.240 0.000 0.763 50 P CB 0.492 32.372 31.700 0.300 0.000 0.776 51 G N 2.501 111.343 108.800 0.070 0.000 2.203 51 G HA2 -0.175 3.787 3.960 0.003 0.000 0.263 51 G HA3 -0.175 3.787 3.960 0.003 0.000 0.263 51 G C 0.406 175.264 174.900 -0.071 0.000 1.012 51 G CA 0.041 45.152 45.100 0.020 0.000 0.749 51 G HN 0.838 nan 8.290 nan 0.000 0.512 52 A N 0.314 123.052 122.820 -0.136 0.000 2.304 52 A HA 0.621 4.943 4.320 0.003 0.000 0.301 52 A C 0.578 178.100 177.584 -0.103 0.000 1.132 52 A CA 0.125 52.007 52.037 -0.259 0.000 0.819 52 A CB 0.577 19.267 19.000 -0.517 0.000 1.094 52 A HN 0.598 nan 8.150 nan 0.000 0.492 53 D N 1.379 121.722 120.400 -0.094 0.000 2.358 53 D HA 0.347 4.990 4.640 0.003 0.000 0.244 53 D C 1.203 177.488 176.300 -0.025 0.000 1.163 53 D CA 0.177 54.154 54.000 -0.039 0.000 0.945 53 D CB 1.116 41.896 40.800 -0.032 0.000 1.152 53 D HN 0.424 nan 8.370 nan 0.000 0.451 54 A N 1.499 124.312 122.820 -0.012 0.000 1.869 54 A HA -0.304 4.018 4.320 0.003 0.000 0.218 54 A C 2.109 179.690 177.584 -0.005 0.000 1.203 54 A CA 2.514 54.547 52.037 -0.007 0.000 0.638 54 A CB -0.863 18.123 19.000 -0.024 0.000 0.831 54 A HN 0.758 nan 8.150 nan 0.000 0.450 55 K N -1.422 118.965 120.400 -0.021 0.000 2.063 55 K HA -0.160 4.162 4.320 0.003 0.000 0.208 55 K C 2.131 178.739 176.600 0.014 0.000 1.048 55 K CA 1.941 58.222 56.287 -0.010 0.000 0.928 55 K CB -0.395 32.095 32.500 -0.018 0.000 0.713 55 K HN 0.501 nan 8.250 nan 0.000 0.442 56 T N 0.527 115.082 114.554 0.003 0.000 2.720 56 T HA -0.131 4.221 4.350 0.003 0.000 0.268 56 T C 1.789 176.549 174.700 0.100 0.000 1.037 56 T CA 1.493 63.606 62.100 0.021 0.000 1.144 56 T CB -0.147 68.672 68.868 -0.080 0.000 0.864 56 T HN 0.011 nan 8.240 nan 0.000 0.444 57 V N 1.370 121.340 119.914 0.093 0.000 2.407 57 V HA -0.189 3.933 4.120 0.003 0.000 0.248 57 V C 2.596 178.760 176.094 0.117 0.000 1.055 57 V CA 1.724 64.121 62.300 0.161 0.000 1.049 57 V CB -0.591 31.306 31.823 0.123 0.000 0.662 57 V HN 0.504 nan 8.190 nan 0.000 0.455 58 Q N -0.454 119.390 119.800 0.074 0.000 2.083 58 Q HA -0.196 4.146 4.340 0.003 0.000 0.198 58 Q C 1.486 177.519 176.000 0.056 0.000 0.969 58 Q CA 1.629 57.466 55.803 0.057 0.000 0.838 58 Q CB 0.032 28.793 28.738 0.037 0.000 0.900 58 Q HN 0.609 nan 8.270 nan 0.000 0.436 59 D N -0.974 119.461 120.400 0.060 0.000 2.350 59 D HA 0.014 4.656 4.640 0.003 0.000 0.213 59 D C 0.906 177.245 176.300 0.066 0.000 1.031 59 D CA 0.537 54.570 54.000 0.054 0.000 0.861 59 D CB 0.501 41.329 40.800 0.046 0.000 0.926 59 D HN 0.107 nan 8.370 nan 0.000 0.520 60 T N -0.992 113.619 114.554 0.095 0.000 3.018 60 T HA 0.125 4.477 4.350 0.003 0.000 0.246 60 T C 1.675 176.418 174.700 0.070 0.000 1.026 60 T CA 0.245 62.410 62.100 0.108 0.000 1.081 60 T CB 0.835 69.836 68.868 0.222 0.000 0.970 60 T HN -0.090 nan 8.240 nan 0.000 0.475 61 V N 0.146 120.106 119.914 0.077 0.000 3.278 61 V HA 0.052 4.174 4.120 0.003 0.000 0.215 61 V C 2.495 178.614 176.094 0.041 0.000 1.287 61 V CA 0.770 63.098 62.300 0.046 0.000 1.302 61 V CB -0.658 31.198 31.823 0.055 0.000 1.228 61 V HN 0.257 nan 8.190 nan 0.000 0.523 62 T N 0.356 114.940 114.554 0.051 0.000 2.635 62 T HA -0.302 4.050 4.350 0.003 0.000 0.267 62 T C 1.868 176.585 174.700 0.029 0.000 1.040 62 T CA 2.201 64.325 62.100 0.040 0.000 1.156 62 T CB -0.318 68.577 68.868 0.044 0.000 0.863 62 T HN 0.403 nan 8.240 nan 0.000 0.430 63 Q N 0.057 119.876 119.800 0.031 0.000 2.084 63 Q HA -0.081 4.262 4.340 0.003 0.000 0.202 63 Q C 2.748 178.759 176.000 0.017 0.000 0.978 63 Q CA 1.566 57.383 55.803 0.023 0.000 0.844 63 Q CB -0.510 28.244 28.738 0.026 0.000 0.898 63 Q HN 0.524 nan 8.270 nan 0.000 0.426 64 V N -0.295 119.630 119.914 0.019 0.000 2.667 64 V HA -0.174 3.948 4.120 0.003 0.000 0.252 64 V C 1.828 177.928 176.094 0.009 0.000 1.065 64 V CA 1.195 63.503 62.300 0.013 0.000 1.083 64 V CB -0.351 31.479 31.823 0.012 0.000 0.692 64 V HN 0.281 nan 8.190 nan 0.000 0.468 65 I N 0.235 120.812 120.570 0.012 0.000 2.233 65 I HA -0.159 4.013 4.170 0.003 0.000 0.243 65 I C 2.732 178.852 176.117 0.005 0.000 1.093 65 I CA 1.981 63.287 61.300 0.010 0.000 1.380 65 I CB -0.515 37.493 38.000 0.014 0.000 1.067 65 I HN 0.358 nan 8.210 nan 0.000 0.413 66 E N 0.739 120.941 120.200 0.003 0.000 2.058 66 E HA -0.304 4.048 4.350 0.003 0.000 0.194 66 E C 2.153 178.748 176.600 -0.010 0.000 0.997 66 E CA 1.274 57.669 56.400 -0.008 0.000 0.801 66 E CB -0.207 29.487 29.700 -0.009 0.000 0.746 66 E HN 0.528 nan 8.360 nan 0.000 0.450 67 Q N 0.242 120.040 119.800 -0.003 0.000 2.297 67 Q HA -0.104 4.238 4.340 0.003 0.000 0.208 67 Q C 1.370 177.368 176.000 -0.004 0.000 0.981 67 Q CA 0.722 56.522 55.803 -0.004 0.000 0.876 67 Q CB 0.044 28.783 28.738 0.001 0.000 0.921 67 Q HN 0.235 nan 8.270 nan 0.000 0.446 68 N N -0.666 118.033 118.700 -0.002 0.000 2.336 68 N HA 0.041 4.783 4.740 0.003 0.000 0.189 68 N C -0.321 175.189 175.510 -0.001 0.000 1.113 68 N CA 0.294 53.344 53.050 0.000 0.000 0.858 68 N CB 0.464 38.953 38.487 0.003 0.000 0.970 68 N HN 0.199 nan 8.380 nan 0.000 0.471 69 M N 2.268 121.863 119.600 -0.008 0.000 2.261 69 M HA 0.164 4.647 4.480 0.003 0.000 0.349 69 M C -0.460 175.829 176.300 -0.020 0.000 1.305 69 M CA -0.046 55.246 55.300 -0.012 0.000 1.240 69 M CB -0.498 32.087 32.600 -0.026 0.000 1.394 69 M HN 0.126 nan 8.290 nan 0.000 0.438 70 N N -0.702 117.993 118.700 -0.009 0.000 2.710 70 N HA 0.578 5.320 4.740 0.003 0.000 0.257 70 N C 0.035 175.546 175.510 0.002 0.000 1.327 70 N CA -0.238 52.806 53.050 -0.010 0.000 0.861 70 N CB 0.895 39.377 38.487 -0.008 0.000 1.532 70 N HN 0.582 nan 8.380 nan 0.000 0.499 71 G N -0.227 108.575 108.800 0.003 0.000 2.314 71 G HA2 -0.200 3.762 3.960 0.003 0.000 0.292 71 G HA3 -0.200 3.762 3.960 0.003 0.000 0.292 71 G C -0.814 174.103 174.900 0.029 0.000 1.059 71 G CA 0.339 45.447 45.100 0.013 0.000 0.982 71 G HN 0.660 nan 8.290 nan 0.000 0.505 72 I N 0.648 121.239 120.570 0.035 0.000 2.418 72 I HA 0.244 4.416 4.170 0.003 0.000 0.287 72 I C -0.251 175.923 176.117 0.096 0.000 1.008 72 I CA -1.004 60.347 61.300 0.084 0.000 1.104 72 I CB 1.352 39.410 38.000 0.097 0.000 1.264 72 I HN 0.020 nan 8.210 nan 0.000 0.438 73 D N 6.280 126.757 120.400 0.129 0.000 2.372 73 D HA 0.058 4.700 4.640 0.003 0.000 0.243 73 D C 0.291 176.712 176.300 0.201 0.000 1.121 73 D CA 0.346 54.418 54.000 0.120 0.000 0.898 73 D CB 0.513 41.365 40.800 0.087 0.000 1.202 73 D HN 0.475 nan 8.370 nan 0.000 0.428 74 N N 0.121 118.897 118.700 0.127 0.000 2.721 74 N HA -0.230 4.512 4.740 0.003 0.000 0.249 74 N C -0.396 175.156 175.510 0.069 0.000 1.072 74 N CA 0.275 53.406 53.050 0.134 0.000 0.710 74 N CB -1.610 36.987 38.487 0.183 0.000 0.993 74 N HN 0.330 nan 8.380 nan 0.000 0.547 75 L N -0.083 121.070 121.223 -0.117 0.000 2.281 75 L HA 0.318 4.660 4.340 0.003 0.000 0.285 75 L C 1.430 178.099 176.870 -0.335 0.000 1.074 75 L CA 0.023 54.583 54.840 -0.466 0.000 0.817 75 L CB 0.745 42.539 42.059 -0.441 0.000 1.168 75 L HN 0.192 nan 8.230 nan 0.000 0.434 76 M N 4.800 124.116 119.600 -0.472 0.000 2.248 76 M HA 0.117 4.599 4.480 0.003 0.000 0.265 76 M C -0.834 175.259 176.300 -0.345 0.000 1.079 76 M CA 1.019 56.082 55.300 -0.395 0.000 1.150 76 M CB 0.159 32.376 32.600 -0.640 0.000 1.366 76 M HN 0.687 nan 8.290 nan 0.000 0.433 77 Y N -3.156 116.924 120.300 -0.368 0.000 2.810 77 Y HA 0.572 5.124 4.550 0.003 0.000 0.355 77 Y C -1.362 174.292 175.900 -0.409 0.000 1.211 77 Y CA -2.435 55.434 58.100 -0.385 0.000 1.112 77 Y CB 0.563 38.795 38.460 -0.380 0.000 1.383 77 Y HN -0.033 nan 8.280 nan 0.000 0.458 78 M N 3.096 122.563 119.600 -0.223 0.000 2.326 78 M HA 0.794 5.276 4.480 0.003 0.000 0.292 78 M C -1.682 174.482 176.300 -0.227 0.000 1.081 78 M CA -0.374 54.806 55.300 -0.201 0.000 0.919 78 M CB 2.147 34.627 32.600 -0.199 0.000 1.634 78 M HN 1.116 nan 8.290 nan 0.000 0.451 79 S N 2.528 118.193 115.700 -0.058 0.000 2.570 79 S HA 0.957 5.429 4.470 0.003 0.000 0.286 79 S C -0.886 173.741 174.600 0.046 0.000 1.099 79 S CA -0.347 57.866 58.200 0.021 0.000 0.913 79 S CB 1.963 65.272 63.200 0.182 0.000 1.085 79 S HN 0.967 nan 8.310 nan 0.000 0.480 80 S N 0.702 116.439 115.700 0.061 0.000 2.618 80 S HA 0.700 5.172 4.470 0.003 0.000 0.277 80 S C -1.458 173.181 174.600 0.064 0.000 1.138 80 S CA -0.984 57.249 58.200 0.055 0.000 0.844 80 S CB 1.077 64.300 63.200 0.038 0.000 1.127 80 S HN 0.865 nan 8.310 nan 0.000 0.474 81 N N -0.025 118.710 118.700 0.058 0.000 2.454 81 N HA 0.496 5.238 4.740 0.003 0.000 0.291 81 N C -1.822 173.718 175.510 0.050 0.000 1.079 81 N CA -0.552 52.530 53.050 0.054 0.000 0.893 81 N CB 2.229 40.748 38.487 0.054 0.000 1.512 81 N HN 0.569 nan 8.380 nan 0.000 0.497 82 S N 1.329 117.056 115.700 0.044 0.000 2.566 82 S HA 0.331 4.803 4.470 0.003 0.000 0.324 82 S C -0.921 173.700 174.600 0.035 0.000 1.081 82 S CA -0.873 57.354 58.200 0.045 0.000 1.105 82 S CB 0.918 64.145 63.200 0.044 0.000 0.981 82 S HN 0.419 nan 8.310 nan 0.000 0.464 83 D N 1.269 121.693 120.400 0.039 0.000 2.340 83 D HA 0.309 4.951 4.640 0.003 0.000 0.251 83 D C 0.421 176.737 176.300 0.027 0.000 1.080 83 D CA -0.581 53.437 54.000 0.030 0.000 0.971 83 D CB 1.116 41.935 40.800 0.032 0.000 1.137 83 D HN 0.325 nan 8.370 nan 0.000 0.475 84 S N -0.582 115.130 115.700 0.019 0.000 2.660 84 S HA -0.008 4.464 4.470 0.003 0.000 0.227 84 S C 1.465 176.080 174.600 0.024 0.000 0.948 84 S CA -0.023 58.185 58.200 0.014 0.000 0.948 84 S CB 0.077 63.284 63.200 0.010 0.000 0.779 84 S HN 0.398 nan 8.310 nan 0.000 0.487 85 T N 0.499 115.073 114.554 0.033 0.000 3.065 85 T HA 0.285 4.638 4.350 0.003 0.000 0.252 85 T C 1.453 176.185 174.700 0.054 0.000 1.099 85 T CA 1.036 63.161 62.100 0.042 0.000 1.063 85 T CB -0.070 68.822 68.868 0.040 0.000 0.948 85 T HN 0.592 nan 8.240 nan 0.000 0.506 86 G N 0.795 109.628 108.800 0.055 0.000 2.176 86 G HA2 -0.198 3.765 3.960 0.003 0.000 0.232 86 G HA3 -0.198 3.765 3.960 0.003 0.000 0.232 86 G C 0.294 175.262 174.900 0.113 0.000 0.986 86 G CA 0.263 45.413 45.100 0.083 0.000 0.643 86 G HN 0.556 nan 8.290 nan 0.000 0.522 87 T N 0.675 115.281 114.554 0.086 0.000 2.907 87 T HA 0.638 4.990 4.350 0.003 0.000 0.284 87 T C 0.162 174.908 174.700 0.077 0.000 1.004 87 T CA -0.049 62.102 62.100 0.085 0.000 1.063 87 T CB 2.534 71.445 68.868 0.071 0.000 0.992 87 T HN 0.776 nan 8.240 nan 0.000 0.483 88 V N 2.206 122.166 119.914 0.077 0.000 2.680 88 V HA 0.621 4.743 4.120 0.003 0.000 0.309 88 V C -0.419 175.712 176.094 0.062 0.000 1.052 88 V CA -0.915 61.426 62.300 0.067 0.000 0.908 88 V CB 1.737 33.599 31.823 0.066 0.000 1.001 88 V HN 0.866 nan 8.190 nan 0.000 0.431 89 Q N 3.419 123.254 119.800 0.059 0.000 2.444 89 Q HA 0.566 4.908 4.340 0.003 0.000 0.251 89 Q C -1.804 174.231 176.000 0.057 0.000 0.939 89 Q CA -0.359 55.481 55.803 0.061 0.000 0.740 89 Q CB 1.729 30.507 28.738 0.067 0.000 1.308 89 Q HN 0.833 nan 8.270 nan 0.000 0.461 90 I N 2.849 123.450 120.570 0.050 0.000 2.336 90 I HA 0.353 4.525 4.170 0.003 0.000 0.292 90 I C -0.284 175.859 176.117 0.044 0.000 0.991 90 I CA -0.432 60.892 61.300 0.040 0.000 1.227 90 I CB 1.987 40.003 38.000 0.027 0.000 1.366 90 I HN 0.439 nan 8.210 nan 0.000 0.466 91 T N 7.490 122.069 114.554 0.041 0.000 2.770 91 T HA 0.557 4.909 4.350 0.003 0.000 0.283 91 T C -0.340 174.357 174.700 -0.005 0.000 0.988 91 T CA -0.446 61.682 62.100 0.046 0.000 0.957 91 T CB 0.908 69.821 68.868 0.075 0.000 0.930 91 T HN 0.198 nan 8.240 nan 0.000 0.443 92 L N 3.609 124.824 121.223 -0.013 0.000 2.280 92 L HA 0.454 4.796 4.340 0.003 0.000 0.287 92 L C 0.551 177.286 176.870 -0.225 0.000 1.023 92 L CA -0.407 54.328 54.840 -0.175 0.000 0.819 92 L CB 1.353 43.332 42.059 -0.133 0.000 1.212 92 L HN 0.576 nan 8.230 nan 0.000 0.420 93 T N 2.889 117.138 114.554 -0.509 0.000 2.829 93 T HA 0.648 5.000 4.350 0.003 0.000 0.282 93 T C -0.412 173.890 174.700 -0.662 0.000 0.990 93 T CA -0.242 61.580 62.100 -0.464 0.000 1.028 93 T CB 0.717 69.157 68.868 -0.714 0.000 0.951 93 T HN 0.034 nan 8.240 nan 0.000 0.460 94 F N 0.603 120.408 119.950 -0.242 0.000 2.557 94 F HA 0.418 4.947 4.527 0.003 0.000 0.336 94 F C 0.879 176.605 175.800 -0.123 0.000 1.058 94 F CA -1.436 56.462 58.000 -0.171 0.000 0.988 94 F CB 0.791 39.731 39.000 -0.100 0.000 1.275 94 F HN 0.364 nan 8.300 nan 0.000 0.488 95 E N 0.516 120.792 120.200 0.127 0.000 2.384 95 E HA 0.105 4.457 4.350 0.003 0.000 0.266 95 E C -0.333 176.326 176.600 0.098 0.000 1.012 95 E CA -0.083 56.374 56.400 0.095 0.000 0.901 95 E CB 0.644 30.402 29.700 0.097 0.000 0.967 95 E HN 0.443 nan 8.360 nan 0.000 0.435 96 S N 0.880 116.631 115.700 0.084 0.000 2.558 96 S HA 0.233 4.705 4.470 0.003 0.000 0.287 96 S C 1.340 175.974 174.600 0.057 0.000 1.321 96 S CA 0.704 58.945 58.200 0.069 0.000 1.048 96 S CB 0.538 63.780 63.200 0.070 0.000 0.844 96 S HN 0.799 nan 8.310 nan 0.000 0.512 97 G N 2.048 110.871 108.800 0.038 0.000 2.268 97 G HA2 -0.262 3.700 3.960 0.003 0.000 0.240 97 G HA3 -0.262 3.700 3.960 0.003 0.000 0.240 97 G C 0.270 175.176 174.900 0.011 0.000 1.010 97 G CA 0.131 45.246 45.100 0.024 0.000 0.618 97 G HN 0.791 nan 8.290 nan 0.000 0.516 98 T N 2.045 116.609 114.554 0.017 0.000 2.946 98 T HA 0.357 4.709 4.350 0.003 0.000 0.311 98 T C 0.115 174.772 174.700 -0.071 0.000 1.063 98 T CA 0.601 62.692 62.100 -0.016 0.000 1.139 98 T CB 1.207 70.072 68.868 -0.005 0.000 0.994 98 T HN 0.329 nan 8.240 nan 0.000 0.547 99 D N 1.486 121.833 120.400 -0.088 0.000 2.358 99 D HA 0.225 4.868 4.640 0.003 0.000 0.258 99 D C 1.045 177.246 176.300 -0.165 0.000 1.223 99 D CA -0.351 53.592 54.000 -0.096 0.000 0.886 99 D CB 1.021 41.777 40.800 -0.073 0.000 1.120 99 D HN 0.547 nan 8.370 nan 0.000 0.482 100 A N 4.602 127.334 122.820 -0.146 0.000 1.972 100 A HA -0.193 4.129 4.320 0.003 0.000 0.219 100 A C 1.688 179.169 177.584 -0.172 0.000 1.169 100 A CA 1.246 53.171 52.037 -0.186 0.000 0.635 100 A CB -0.067 18.866 19.000 -0.111 0.000 0.810 100 A HN 0.603 nan 8.150 nan 0.000 0.446 101 D N 0.114 120.445 120.400 -0.115 0.000 2.117 101 D HA -0.108 4.534 4.640 0.003 0.000 0.198 101 D C 1.865 178.104 176.300 -0.102 0.000 0.982 101 D CA 0.977 54.923 54.000 -0.089 0.000 0.828 101 D CB -0.255 40.510 40.800 -0.058 0.000 0.967 101 D HN 0.344 nan 8.370 nan 0.000 0.464 102 I N 1.406 121.908 120.570 -0.113 0.000 2.315 102 I HA -0.144 4.028 4.170 0.003 0.000 0.248 102 I C 2.508 178.539 176.117 -0.145 0.000 1.117 102 I CA 0.460 61.700 61.300 -0.100 0.000 1.404 102 I CB -1.310 36.642 38.000 -0.080 0.000 1.071 102 I HN -0.139 nan 8.210 nan 0.000 0.419 103 A N 0.477 123.131 122.820 -0.277 0.000 1.865 103 A HA -0.292 4.030 4.320 0.003 0.000 0.217 103 A C 2.378 179.809 177.584 -0.254 0.000 1.191 103 A CA 2.066 53.818 52.037 -0.474 0.000 0.623 103 A CB -0.902 17.420 19.000 -1.130 0.000 0.826 103 A HN 0.519 nan 8.150 nan 0.000 0.444 104 Q N -0.301 119.378 119.800 -0.202 0.000 2.061 104 Q HA -0.165 4.177 4.340 0.003 0.000 0.204 104 Q C 1.979 177.951 176.000 -0.047 0.000 0.984 104 Q CA 2.301 58.049 55.803 -0.090 0.000 0.846 104 Q CB -0.324 28.371 28.738 -0.073 0.000 0.902 104 Q HN 0.375 nan 8.270 nan 0.000 0.421 105 V N 0.958 120.839 119.914 -0.055 0.000 2.282 105 V HA -0.332 3.790 4.120 0.003 0.000 0.249 105 V C 2.350 178.438 176.094 -0.011 0.000 1.057 105 V CA 2.374 64.656 62.300 -0.029 0.000 1.032 105 V CB -0.637 31.166 31.823 -0.033 0.000 0.645 105 V HN 0.478 nan 8.190 nan 0.000 0.447 106 Q N -0.909 118.885 119.800 -0.010 0.000 2.084 106 Q HA -0.157 4.185 4.340 0.003 0.000 0.202 106 Q C 2.308 178.335 176.000 0.044 0.000 0.978 106 Q CA 1.755 57.571 55.803 0.022 0.000 0.844 106 Q CB -0.225 28.537 28.738 0.041 0.000 0.898 106 Q HN 0.554 nan 8.270 nan 0.000 0.426 107 V N 0.650 120.601 119.914 0.061 0.000 2.343 107 V HA -0.300 3.822 4.120 0.003 0.000 0.247 107 V C 2.198 178.317 176.094 0.041 0.000 1.051 107 V CA 2.024 64.370 62.300 0.076 0.000 1.036 107 V CB -0.501 31.388 31.823 0.110 0.000 0.654 107 V HN 0.401 nan 8.190 nan 0.000 0.451 108 Q N -0.056 119.759 119.800 0.025 0.000 2.167 108 Q HA -0.241 4.101 4.340 0.003 0.000 0.202 108 Q C 2.156 178.164 176.000 0.014 0.000 0.970 108 Q CA 1.760 57.573 55.803 0.017 0.000 0.855 108 Q CB -0.165 28.578 28.738 0.009 0.000 0.911 108 Q HN 0.728 nan 8.270 nan 0.000 0.438 109 N N 0.266 118.974 118.700 0.013 0.000 2.094 109 N HA -0.201 4.541 4.740 0.003 0.000 0.191 109 N C 1.312 176.830 175.510 0.012 0.000 1.023 109 N CA 1.580 54.636 53.050 0.011 0.000 0.857 109 N CB 0.124 38.617 38.487 0.011 0.000 1.013 109 N HN 0.066 nan 8.380 nan 0.000 0.426 110 K N 0.402 120.812 120.400 0.017 0.000 2.103 110 K HA -0.012 4.310 4.320 0.003 0.000 0.204 110 K C 1.977 178.585 176.600 0.013 0.000 1.052 110 K CA 0.281 56.577 56.287 0.015 0.000 0.945 110 K CB -0.671 31.840 32.500 0.018 0.000 0.722 110 K HN 0.324 nan 8.250 nan 0.000 0.443 111 L N 1.970 123.203 121.223 0.015 0.000 2.131 111 L HA -0.233 4.109 4.340 0.003 0.000 0.210 111 L C 2.080 178.955 176.870 0.009 0.000 1.092 111 L CA 1.620 56.468 54.840 0.013 0.000 0.759 111 L CB -0.193 41.876 42.059 0.017 0.000 0.903 111 L HN 0.260 nan 8.230 nan 0.000 0.435 112 Q N -1.367 118.438 119.800 0.008 0.000 2.488 112 Q HA -0.140 4.202 4.340 0.003 0.000 0.211 112 Q C 1.595 177.596 176.000 0.003 0.000 0.967 112 Q CA 0.949 56.755 55.803 0.005 0.000 0.926 112 Q CB -0.281 28.460 28.738 0.004 0.000 0.992 112 Q HN 0.306 nan 8.270 nan 0.000 0.506 113 L N 0.046 121.272 121.223 0.004 0.000 2.209 113 L HA 0.203 4.545 4.340 0.003 0.000 0.207 113 L C 2.182 179.053 176.870 0.002 0.000 1.094 113 L CA 1.538 56.380 54.840 0.003 0.000 0.790 113 L CB -0.797 41.264 42.059 0.004 0.000 0.932 113 L HN 0.391 nan 8.230 nan 0.000 0.447 114 A N -1.820 121.002 122.820 0.003 0.000 1.984 114 A HA -0.030 4.292 4.320 0.003 0.000 0.214 114 A C 2.162 179.744 177.584 -0.003 0.000 1.173 114 A CA 0.513 52.551 52.037 0.001 0.000 0.673 114 A CB -0.245 18.757 19.000 0.003 0.000 0.830 114 A HN 0.192 nan 8.150 nan 0.000 0.453 115 M N -0.044 119.555 119.600 -0.003 0.000 2.113 115 M HA -0.172 4.310 4.480 0.003 0.000 0.255 115 M C -0.428 175.865 176.300 -0.011 0.000 1.073 115 M CA 2.111 57.407 55.300 -0.006 0.000 1.091 115 M CB -2.399 30.199 32.600 -0.003 0.000 1.309 115 M HN 0.159 nan 8.290 nan 0.000 0.407 116 P HA -0.085 nan 4.420 nan 0.000 0.218 116 P C 1.584 178.877 177.300 -0.011 0.000 1.148 116 P CA 1.067 64.162 63.100 -0.009 0.000 0.822 116 P CB -0.232 31.465 31.700 -0.005 0.000 0.784 117 L N -2.147 119.070 121.223 -0.009 0.000 2.552 117 L HA 0.018 4.360 4.340 0.003 0.000 0.227 117 L C 1.056 177.916 176.870 -0.018 0.000 1.146 117 L CA 0.108 54.943 54.840 -0.009 0.000 0.858 117 L CB -0.671 41.387 42.059 -0.003 0.000 0.969 117 L HN -0.023 nan 8.230 nan 0.000 0.451 118 L N -0.237 120.968 121.223 -0.031 0.000 2.421 118 L HA 0.347 4.689 4.340 0.003 0.000 0.263 118 L C -2.083 174.735 176.870 -0.087 0.000 1.122 118 L CA -2.185 52.619 54.840 -0.059 0.000 0.804 118 L CB 0.119 42.139 42.059 -0.065 0.000 1.150 118 L HN -0.250 nan 8.230 nan 0.000 0.457 119 P HA 0.010 nan 4.420 nan 0.000 0.266 119 P C -0.056 177.151 177.300 -0.155 0.000 1.195 119 P CA -0.122 62.870 63.100 -0.180 0.000 0.768 119 P CB 0.629 32.085 31.700 -0.407 0.000 0.838 120 Q N 2.443 122.195 119.800 -0.080 0.000 2.133 120 Q HA -0.265 4.077 4.340 0.003 0.000 0.208 120 Q C 1.712 177.687 176.000 -0.043 0.000 0.991 120 Q CA 1.987 57.763 55.803 -0.046 0.000 0.867 120 Q CB -0.322 28.404 28.738 -0.019 0.000 0.911 120 Q HN 0.522 nan 8.270 nan 0.000 0.417 121 E N -0.975 119.192 120.200 -0.054 0.000 2.268 121 E HA -0.108 4.244 4.350 0.003 0.000 0.195 121 E C 1.847 178.430 176.600 -0.029 0.000 0.995 121 E CA 1.175 57.581 56.400 0.010 0.000 0.836 121 E CB -0.155 29.614 29.700 0.114 0.000 0.763 121 E HN 0.268 nan 8.360 nan 0.000 0.491 122 V N 1.533 121.336 119.914 -0.185 0.000 2.535 122 V HA -0.194 3.928 4.120 0.003 0.000 0.246 122 V C 2.437 178.508 176.094 -0.039 0.000 1.045 122 V CA 1.516 63.732 62.300 -0.140 0.000 1.058 122 V CB -0.478 31.198 31.823 -0.245 0.000 0.689 122 V HN 0.161 nan 8.190 nan 0.000 0.461 123 Q N -0.170 119.604 119.800 -0.042 0.000 2.050 123 Q HA -0.240 4.102 4.340 0.003 0.000 0.202 123 Q C 2.279 178.300 176.000 0.036 0.000 0.980 123 Q CA 1.618 57.418 55.803 -0.006 0.000 0.840 123 Q CB -0.194 28.535 28.738 -0.015 0.000 0.898 123 Q HN 0.670 nan 8.270 nan 0.000 0.424 124 Q N -0.094 119.745 119.800 0.064 0.000 2.364 124 Q HA -0.126 4.216 4.340 0.003 0.000 0.207 124 Q C 1.747 177.870 176.000 0.206 0.000 0.970 124 Q CA 0.560 56.452 55.803 0.148 0.000 0.888 124 Q CB 0.165 28.996 28.738 0.155 0.000 0.951 124 Q HN 0.319 nan 8.270 nan 0.000 0.469 125 Q N -0.341 119.534 119.800 0.126 0.000 2.389 125 Q HA 0.088 4.430 4.340 0.003 0.000 0.204 125 Q C 0.407 176.433 176.000 0.044 0.000 0.944 125 Q CA 0.765 56.611 55.803 0.071 0.000 0.908 125 Q CB 0.750 29.535 28.738 0.079 0.000 1.002 125 Q HN 0.411 nan 8.270 nan 0.000 0.493 126 G N 1.220 110.048 108.800 0.048 0.000 3.445 126 G HA2 -0.169 3.793 3.960 0.003 0.000 0.680 126 G HA3 -0.169 3.793 3.960 0.003 0.000 0.680 126 G C -0.242 174.675 174.900 0.028 0.000 0.972 126 G CA 0.065 45.185 45.100 0.033 0.000 0.798 126 G HN 0.324 nan 8.290 nan 0.000 0.461 127 V N 0.929 120.857 119.914 0.023 0.000 2.481 127 V HA 0.958 5.080 4.120 0.003 0.000 0.286 127 V C 0.527 176.635 176.094 0.024 0.000 1.042 127 V CA 0.321 62.636 62.300 0.025 0.000 0.928 127 V CB 1.653 33.488 31.823 0.019 0.000 0.986 127 V HN 2.081 nan 8.190 nan 0.000 0.462 128 S N 3.662 119.379 115.700 0.028 0.000 2.648 128 S HA 0.901 5.373 4.470 0.003 0.000 0.305 128 S C -0.720 173.897 174.600 0.029 0.000 1.094 128 S CA -0.781 57.435 58.200 0.026 0.000 0.983 128 S CB 1.856 65.072 63.200 0.026 0.000 1.101 128 S HN 1.262 nan 8.310 nan 0.000 0.514 129 V N 1.591 121.520 119.914 0.025 0.000 2.488 129 V HA 0.520 4.642 4.120 0.003 0.000 0.293 129 V C -0.642 175.466 176.094 0.023 0.000 1.027 129 V CA -0.495 61.822 62.300 0.028 0.000 0.862 129 V CB 1.062 32.899 31.823 0.023 0.000 1.008 129 V HN 0.998 nan 8.190 nan 0.000 0.428 130 E N 3.415 123.633 120.200 0.030 0.000 2.320 130 E HA 0.670 5.022 4.350 0.003 0.000 0.264 130 E C -1.046 175.567 176.600 0.023 0.000 0.923 130 E CA -1.197 55.217 56.400 0.024 0.000 0.796 130 E CB 2.807 32.525 29.700 0.031 0.000 1.262 130 E HN 0.713 nan 8.360 nan 0.000 0.428 131 K N 0.058 120.465 120.400 0.012 0.000 2.621 131 K HA 0.479 4.801 4.320 0.003 0.000 0.233 131 K C -1.048 175.561 176.600 0.015 0.000 0.972 131 K CA -0.616 55.674 56.287 0.004 0.000 0.988 131 K CB 1.054 33.537 32.500 -0.029 0.000 1.187 131 K HN 0.510 nan 8.250 nan 0.000 0.471 132 S N 0.501 116.219 115.700 0.030 0.000 2.625 132 S HA 0.474 4.946 4.470 0.003 0.000 0.271 132 S C -0.531 174.095 174.600 0.043 0.000 1.161 132 S CA -0.969 57.252 58.200 0.035 0.000 0.820 132 S CB 1.277 64.499 63.200 0.036 0.000 1.137 132 S HN 0.350 nan 8.310 nan 0.000 0.470 133 S N 1.529 117.257 115.700 0.048 0.000 2.584 133 S HA 0.270 4.742 4.470 0.003 0.000 0.270 133 S C 1.578 176.201 174.600 0.038 0.000 1.346 133 S CA -0.137 58.095 58.200 0.054 0.000 1.018 133 S CB 0.905 64.148 63.200 0.071 0.000 0.899 133 S HN 0.996 nan 8.310 nan 0.000 0.542 134 S N 0.782 116.505 115.700 0.038 0.000 2.436 134 S HA -0.018 4.454 4.470 0.003 0.000 0.228 134 S C 0.934 175.522 174.600 -0.020 0.000 1.014 134 S CA 0.345 58.558 58.200 0.022 0.000 0.950 134 S CB -0.409 62.801 63.200 0.016 0.000 0.784 134 S HN 0.768 nan 8.310 nan 0.000 0.504 135 S N 0.460 116.161 115.700 0.002 0.000 2.687 135 S HA 0.663 5.135 4.470 0.003 0.000 0.283 135 S C -0.477 174.168 174.600 0.076 0.000 1.170 135 S CA -0.977 57.257 58.200 0.057 0.000 1.008 135 S CB 0.107 63.401 63.200 0.157 0.000 1.026 135 S HN 0.206 nan 8.310 nan 0.000 0.541 136 F N 1.238 121.443 119.950 0.425 0.000 2.443 136 F HA 0.303 4.832 4.527 0.004 0.000 0.353 136 F C 1.229 177.222 175.800 0.322 0.000 1.101 136 F CA -0.722 57.488 58.000 0.351 0.000 1.226 136 F CB 0.751 39.948 39.000 0.328 0.000 1.140 136 F HN 0.559 nan 8.300 nan 0.000 0.557 137 L N 3.983 125.447 121.223 0.403 0.000 2.068 137 L HA 0.108 4.450 4.340 0.003 0.000 0.204 137 L C 0.280 177.320 176.870 0.283 0.000 1.076 137 L CA 1.555 56.560 54.840 0.274 0.000 0.753 137 L CB -0.169 42.002 42.059 0.186 0.000 0.910 137 L HN 0.724 nan 8.230 nan 0.000 0.439 138 M N -3.666 116.108 119.600 0.289 0.000 3.084 138 M HA 0.535 5.017 4.480 0.003 0.000 0.273 138 M C -1.457 174.868 176.300 0.042 0.000 1.242 138 M CA -0.944 54.480 55.300 0.206 0.000 0.819 138 M CB 2.095 34.760 32.600 0.109 0.000 1.625 138 M HN -0.421 nan 8.290 nan 0.000 0.493 139 V N 1.579 121.414 119.914 -0.133 0.000 2.532 139 V HA 0.445 4.567 4.120 0.003 0.000 0.294 139 V C -0.936 174.921 176.094 -0.394 0.000 1.036 139 V CA -0.697 61.353 62.300 -0.417 0.000 0.876 139 V CB 1.851 33.120 31.823 -0.924 0.000 1.012 139 V HN 0.666 nan 8.190 nan 0.000 0.432 140 V N 4.714 124.431 119.914 -0.327 0.000 2.389 140 V HA 0.590 4.712 4.120 0.003 0.000 0.264 140 V C 1.008 176.834 176.094 -0.447 0.000 1.049 140 V CA 0.117 62.205 62.300 -0.352 0.000 0.932 140 V CB 1.259 32.945 31.823 -0.228 0.000 1.011 140 V HN 0.913 nan 8.190 nan 0.000 0.475 141 G N 3.861 112.324 108.800 -0.562 0.000 2.437 141 G HA2 0.623 4.585 3.960 0.003 0.000 0.319 141 G HA3 0.623 4.585 3.960 0.003 0.000 0.319 141 G C -1.035 173.665 174.900 -0.333 0.000 1.158 141 G CA -0.423 44.400 45.100 -0.461 0.000 0.899 141 G HN 0.571 nan 8.290 nan 0.000 0.502 142 V N 2.096 121.911 119.914 -0.165 0.000 2.623 142 V HA 0.554 4.676 4.120 0.003 0.000 0.304 142 V C 0.015 176.033 176.094 -0.127 0.000 1.054 142 V CA -0.576 61.611 62.300 -0.189 0.000 0.882 142 V CB 1.136 32.850 31.823 -0.181 0.000 1.002 142 V HN 0.885 nan 8.190 nan 0.000 0.424 143 I N 0.809 121.288 120.570 -0.152 0.000 3.239 143 I HA 0.675 4.847 4.170 0.003 0.000 0.314 143 I C -0.707 175.358 176.117 -0.087 0.000 1.126 143 I CA -0.856 60.396 61.300 -0.080 0.000 0.973 143 I CB 2.569 40.552 38.000 -0.029 0.000 1.252 143 I HN 0.613 nan 8.210 nan 0.000 0.463 144 N N 0.657 119.328 118.700 -0.048 0.000 2.483 144 N HA 0.224 4.966 4.740 0.003 0.000 0.267 144 N C 0.413 175.914 175.510 -0.015 0.000 0.998 144 N CA -0.215 52.803 53.050 -0.052 0.000 0.918 144 N CB 1.519 39.971 38.487 -0.059 0.000 1.215 144 N HN 0.872 nan 8.380 nan 0.000 0.500 145 T N -0.465 114.083 114.554 -0.009 0.000 3.055 145 T HA -0.009 4.343 4.350 0.003 0.000 0.265 145 T C 0.416 175.120 174.700 0.007 0.000 1.111 145 T CA 0.837 62.943 62.100 0.010 0.000 1.118 145 T CB 0.061 68.939 68.868 0.017 0.000 0.909 145 T HN 0.395 nan 8.240 nan 0.000 0.501 146 D N 1.663 122.061 120.400 -0.004 0.000 2.395 146 D HA 0.253 4.895 4.640 0.003 0.000 0.226 146 D C 1.342 177.642 176.300 -0.001 0.000 1.146 146 D CA 0.112 54.112 54.000 -0.001 0.000 0.830 146 D CB -0.360 40.437 40.800 -0.005 0.000 0.958 146 D HN 0.563 nan 8.370 nan 0.000 0.501 147 G N 2.235 111.035 108.800 0.000 0.000 2.424 147 G HA2 -0.332 3.630 3.960 0.003 0.000 0.290 147 G HA3 -0.332 3.630 3.960 0.003 0.000 0.290 147 G C 1.046 175.946 174.900 0.001 0.000 0.912 147 G CA 1.349 46.450 45.100 0.003 0.000 1.142 147 G HN 0.382 nan 8.290 nan 0.000 0.501 148 T N -3.035 111.515 114.554 -0.007 0.000 3.054 148 T HA 0.509 4.861 4.350 0.003 0.000 0.255 148 T C 0.838 175.537 174.700 -0.001 0.000 1.035 148 T CA 0.652 62.751 62.100 -0.003 0.000 0.941 148 T CB 0.081 68.944 68.868 -0.009 0.000 1.026 148 T HN 0.992 nan 8.240 nan 0.000 0.533 149 M N 1.105 120.700 119.600 -0.008 0.000 2.322 149 M HA 0.565 5.048 4.480 0.003 0.000 0.286 149 M C -0.396 175.908 176.300 0.008 0.000 1.111 149 M CA -0.972 54.329 55.300 0.002 0.000 0.941 149 M CB 1.886 34.471 32.600 -0.026 0.000 1.671 149 M HN 0.025 nan 8.290 nan 0.000 0.470 150 T N -0.523 114.051 114.554 0.034 0.000 2.698 150 T HA 0.169 4.521 4.350 0.003 0.000 0.295 150 T C 1.043 175.760 174.700 0.027 0.000 1.007 150 T CA 0.525 62.648 62.100 0.038 0.000 0.980 150 T CB 0.697 69.604 68.868 0.065 0.000 1.036 150 T HN 0.909 nan 8.240 nan 0.000 0.526 151 Q N -0.097 119.719 119.800 0.026 0.000 2.226 151 Q HA -0.078 4.264 4.340 0.003 0.000 0.204 151 Q C 1.868 177.874 176.000 0.010 0.000 0.975 151 Q CA 1.807 57.617 55.803 0.012 0.000 0.866 151 Q CB -0.481 28.263 28.738 0.011 0.000 0.915 151 Q HN 0.851 nan 8.270 nan 0.000 0.440 152 E N 0.427 120.658 120.200 0.053 0.000 2.072 152 E HA -0.146 4.206 4.350 0.003 0.000 0.190 152 E C 1.344 177.945 176.600 0.003 0.000 0.982 152 E CA 1.077 57.527 56.400 0.082 0.000 0.803 152 E CB 0.009 29.850 29.700 0.235 0.000 0.755 152 E HN 0.530 nan 8.360 nan 0.000 0.453 153 D N 0.667 121.110 120.400 0.072 0.000 2.117 153 D HA -0.112 4.530 4.640 0.003 0.000 0.198 153 D C 2.043 178.299 176.300 -0.074 0.000 0.982 153 D CA 0.817 54.836 54.000 0.032 0.000 0.828 153 D CB -0.115 40.738 40.800 0.089 0.000 0.967 153 D HN 0.184 nan 8.370 nan 0.000 0.464 154 I N 0.946 121.482 120.570 -0.056 0.000 2.202 154 I HA -0.225 3.947 4.170 0.003 0.000 0.242 154 I C 2.435 178.512 176.117 -0.065 0.000 1.091 154 I CA 0.789 62.055 61.300 -0.058 0.000 1.368 154 I CB -0.163 37.801 38.000 -0.060 0.000 1.058 154 I HN -0.140 nan 8.210 nan 0.000 0.410 155 S N 0.263 115.903 115.700 -0.100 0.000 2.370 155 S HA -0.278 4.194 4.470 0.003 0.000 0.226 155 S C 1.717 176.195 174.600 -0.204 0.000 1.033 155 S CA 1.968 60.095 58.200 -0.122 0.000 1.011 155 S CB -0.472 62.663 63.200 -0.109 0.000 0.852 155 S HN 0.552 nan 8.310 nan 0.000 0.457 156 D N -0.118 120.066 120.400 -0.361 0.000 2.178 156 D HA -0.161 4.481 4.640 0.003 0.000 0.201 156 D C 1.720 177.863 176.300 -0.261 0.000 0.980 156 D CA 0.903 54.605 54.000 -0.498 0.000 0.842 156 D CB -0.208 39.840 40.800 -1.253 0.000 0.948 156 D HN 0.486 nan 8.370 nan 0.000 0.472 157 Y N 0.493 120.638 120.300 -0.259 0.000 2.220 157 Y HA -0.107 4.445 4.550 0.003 0.000 0.291 157 Y C 2.233 178.042 175.900 -0.152 0.000 1.129 157 Y CA 1.910 59.906 58.100 -0.173 0.000 1.161 157 Y CB -0.484 37.875 38.460 -0.168 0.000 0.997 157 Y HN 0.028 nan 8.280 nan 0.000 0.522 158 V N -0.819 119.000 119.914 -0.158 0.000 2.427 158 V HA -0.102 4.020 4.120 0.003 0.000 0.248 158 V C 2.202 178.169 176.094 -0.212 0.000 1.051 158 V CA 1.792 63.977 62.300 -0.191 0.000 1.048 158 V CB -1.586 30.170 31.823 -0.112 0.000 0.666 158 V HN 0.377 nan 8.190 nan 0.000 0.456 159 A N 0.249 122.952 122.820 -0.195 0.000 2.014 159 A HA 0.378 4.701 4.320 0.003 0.000 0.218 159 A C 2.298 179.775 177.584 -0.179 0.000 1.163 159 A CA 1.726 53.661 52.037 -0.169 0.000 0.652 159 A CB -0.642 18.266 19.000 -0.153 0.000 0.808 159 A HN 1.033 nan 8.150 nan 0.000 0.449 160 A N -1.275 121.406 122.820 -0.231 0.000 2.252 160 A HA 0.167 4.489 4.320 0.003 0.000 0.213 160 A C 1.444 178.868 177.584 -0.266 0.000 1.188 160 A CA 0.604 52.513 52.037 -0.214 0.000 0.863 160 A CB 0.015 18.909 19.000 -0.176 0.000 0.893 160 A HN 0.508 nan 8.150 nan 0.000 0.495 161 N N -1.659 116.802 118.700 -0.399 0.000 2.168 161 N HA 0.242 4.984 4.740 0.003 0.000 0.216 161 N C 0.923 176.307 175.510 -0.210 0.000 1.259 161 N CA 0.477 53.297 53.050 -0.382 0.000 0.902 161 N CB 0.536 38.556 38.487 -0.779 0.000 1.079 161 N HN 0.409 nan 8.380 nan 0.000 0.507 162 M N -0.123 119.366 119.600 -0.184 0.000 2.504 162 M HA 0.160 4.642 4.480 0.003 0.000 0.222 162 M C 1.976 178.235 176.300 -0.068 0.000 1.566 162 M CA 0.209 55.466 55.300 -0.071 0.000 1.099 162 M CB 0.382 32.964 32.600 -0.030 0.000 1.428 162 M HN -0.203 nan 8.290 nan 0.000 0.556 163 K N 1.421 121.763 120.400 -0.097 0.000 2.020 163 K HA -0.230 4.092 4.320 0.003 0.000 0.212 163 K C 1.243 177.804 176.600 -0.065 0.000 1.050 163 K CA 2.442 58.678 56.287 -0.086 0.000 0.929 163 K CB -0.064 32.373 32.500 -0.106 0.000 0.714 163 K HN 0.112 nan 8.250 nan 0.000 0.443 164 D N -0.079 120.280 120.400 -0.068 0.000 2.160 164 D HA -0.226 4.416 4.640 0.003 0.000 0.189 164 D C 1.730 178.007 176.300 -0.039 0.000 1.003 164 D CA 1.974 55.942 54.000 -0.053 0.000 0.846 164 D CB -0.361 40.403 40.800 -0.059 0.000 0.949 164 D HN 0.430 nan 8.370 nan 0.000 0.446 165 A N 0.116 122.914 122.820 -0.036 0.000 1.969 165 A HA -0.106 4.216 4.320 0.003 0.000 0.218 165 A C 2.163 179.739 177.584 -0.013 0.000 1.169 165 A CA 0.749 52.773 52.037 -0.022 0.000 0.635 165 A CB -0.358 18.633 19.000 -0.016 0.000 0.810 165 A HN 0.188 nan 8.150 nan 0.000 0.445 166 I N -0.100 120.460 120.570 -0.016 0.000 2.406 166 I HA -0.098 4.074 4.170 0.003 0.000 0.249 166 I C 2.214 178.326 176.117 -0.010 0.000 1.122 166 I CA 1.286 62.580 61.300 -0.009 0.000 1.431 166 I CB -1.255 36.735 38.000 -0.017 0.000 1.087 166 I HN 0.197 nan 8.210 nan 0.000 0.424 167 S N 0.585 116.274 115.700 -0.019 0.000 2.447 167 S HA -0.056 4.416 4.470 0.003 0.000 0.233 167 S C 1.891 176.486 174.600 -0.009 0.000 1.006 167 S CA 0.828 59.019 58.200 -0.015 0.000 0.957 167 S CB -0.141 63.045 63.200 -0.024 0.000 0.773 167 S HN 0.424 nan 8.310 nan 0.000 0.507 168 R N 0.874 121.368 120.500 -0.010 0.000 2.300 168 R HA 0.113 4.455 4.340 0.003 0.000 0.199 168 R C 0.018 176.317 176.300 -0.002 0.000 0.920 168 R CA 0.217 56.313 56.100 -0.007 0.000 1.046 168 R CB -0.036 30.257 30.300 -0.011 0.000 0.984 168 R HN 0.208 nan 8.270 nan 0.000 0.493 169 T N 1.118 115.673 114.554 0.002 0.000 2.888 169 T HA -0.010 4.342 4.350 0.003 0.000 0.301 169 T C 0.284 174.990 174.700 0.010 0.000 1.001 169 T CA 0.182 62.286 62.100 0.007 0.000 1.147 169 T CB 1.496 70.371 68.868 0.012 0.000 0.931 169 T HN -0.031 nan 8.240 nan 0.000 0.541 170 S N 2.035 117.741 115.700 0.010 0.000 2.537 170 S HA 0.397 4.869 4.470 0.003 0.000 0.286 170 S C 1.538 176.148 174.600 0.017 0.000 1.299 170 S CA 0.748 58.954 58.200 0.011 0.000 1.067 170 S CB -0.449 62.757 63.200 0.009 0.000 0.864 170 S HN 1.152 nan 8.310 nan 0.000 0.494 171 G N 3.054 111.865 108.800 0.018 0.000 2.254 171 G HA2 -0.224 3.738 3.960 0.003 0.000 0.225 171 G HA3 -0.224 3.738 3.960 0.003 0.000 0.225 171 G C 0.031 174.950 174.900 0.032 0.000 1.003 171 G CA -0.062 45.054 45.100 0.026 0.000 0.622 171 G HN 1.020 nan 8.290 nan 0.000 0.507 172 V N 2.463 122.394 119.914 0.028 0.000 2.387 172 V HA 0.532 4.654 4.120 0.003 0.000 0.260 172 V C 1.696 177.806 176.094 0.027 0.000 1.054 172 V CA 0.889 63.208 62.300 0.032 0.000 0.967 172 V CB 0.850 32.688 31.823 0.025 0.000 1.036 172 V HN 0.595 nan 8.190 nan 0.000 0.481 173 G N 3.867 112.688 108.800 0.034 0.000 2.603 173 G HA2 0.107 4.069 3.960 0.003 0.000 0.214 173 G HA3 0.107 4.069 3.960 0.003 0.000 0.214 173 G C 0.189 175.106 174.900 0.029 0.000 1.140 173 G CA 0.546 45.663 45.100 0.028 0.000 0.800 173 G HN 0.725 nan 8.290 nan 0.000 0.533 174 D N -1.519 118.902 120.400 0.036 0.000 2.745 174 D HA 0.351 4.993 4.640 0.003 0.000 0.221 174 D C -1.480 174.845 176.300 0.041 0.000 1.237 174 D CA -0.485 53.536 54.000 0.036 0.000 0.781 174 D CB 1.660 42.487 40.800 0.045 0.000 1.575 174 D HN -0.068 nan 8.370 nan 0.000 0.482 175 V N 2.680 122.604 119.914 0.017 0.000 2.483 175 V HA 0.522 4.644 4.120 0.003 0.000 0.297 175 V C -0.570 175.485 176.094 -0.064 0.000 1.027 175 V CA -0.702 61.588 62.300 -0.017 0.000 0.855 175 V CB 1.494 33.289 31.823 -0.047 0.000 0.995 175 V HN 0.586 nan 8.190 nan 0.000 0.424 176 Q N 3.352 123.079 119.800 -0.122 0.000 2.314 176 Q HA 0.579 4.921 4.340 0.003 0.000 0.259 176 Q C -1.006 174.598 176.000 -0.661 0.000 0.951 176 Q CA -0.348 55.287 55.803 -0.280 0.000 0.909 176 Q CB 1.631 30.247 28.738 -0.203 0.000 1.236 176 Q HN 0.701 nan 8.270 nan 0.000 0.444 177 L N 4.597 125.531 121.223 -0.481 0.000 2.276 177 L HA 0.432 4.774 4.340 0.003 0.000 0.286 177 L C -1.180 175.379 176.870 -0.518 0.000 1.061 177 L CA 0.151 54.707 54.840 -0.474 0.000 0.807 177 L CB 0.330 42.252 42.059 -0.228 0.000 1.177 177 L HN 0.622 nan 8.230 nan 0.000 0.429 178 F N 5.600 125.502 119.950 -0.079 0.000 2.606 178 F HA 0.665 5.194 4.527 0.004 0.000 0.347 178 F C 1.082 176.865 175.800 -0.028 0.000 1.207 178 F CA -0.041 57.931 58.000 -0.047 0.000 1.306 178 F CB -0.390 38.622 39.000 0.021 0.000 1.657 178 F HN 0.651 nan 8.300 nan 0.000 0.606 179 G N -0.525 108.309 108.800 0.057 0.000 2.344 179 G HA2 0.372 4.334 3.960 0.003 0.000 0.282 179 G HA3 0.372 4.334 3.960 0.003 0.000 0.282 179 G C -1.654 173.217 174.900 -0.048 0.000 1.281 179 G CA -0.690 44.413 45.100 0.006 0.000 0.877 179 G HN 0.244 nan 8.290 nan 0.000 0.494 180 S N -1.150 114.495 115.700 -0.091 0.000 2.546 180 S HA 0.625 5.097 4.470 0.003 0.000 0.274 180 S C -0.509 174.018 174.600 -0.122 0.000 1.121 180 S CA -0.251 57.889 58.200 -0.100 0.000 0.887 180 S CB 1.817 64.942 63.200 -0.124 0.000 1.094 180 S HN 0.827 nan 8.310 nan 0.000 0.474 181 Q N 2.031 121.779 119.800 -0.086 0.000 2.354 181 Q HA 0.284 4.626 4.340 0.003 0.000 0.244 181 Q C -0.921 175.103 176.000 0.040 0.000 0.969 181 Q CA -0.353 55.398 55.803 -0.087 0.000 0.885 181 Q CB 0.349 29.055 28.738 -0.054 0.000 1.241 181 Q HN 0.688 nan 8.270 nan 0.000 0.461 182 Y N 0.365 120.673 120.300 0.014 0.000 2.385 182 Y HA 0.351 4.903 4.550 0.004 0.000 0.346 182 Y C 0.343 176.323 175.900 0.133 0.000 1.270 182 Y CA -0.212 57.926 58.100 0.063 0.000 1.472 182 Y CB 0.690 39.211 38.460 0.102 0.000 1.354 182 Y HN 0.683 nan 8.280 nan 0.000 0.611 183 A N 1.644 124.675 122.820 0.352 0.000 2.594 183 A HA 0.578 4.900 4.320 0.003 0.000 0.295 183 A C -1.305 176.343 177.584 0.107 0.000 1.071 183 A CA -0.970 51.276 52.037 0.349 0.000 0.685 183 A CB 1.250 20.453 19.000 0.339 0.000 1.285 183 A HN 0.609 nan 8.150 nan 0.000 0.405 184 M N 2.112 121.613 119.600 -0.164 0.000 2.194 184 M HA 0.356 4.838 4.480 0.003 0.000 0.347 184 M C -0.253 175.724 176.300 -0.539 0.000 1.439 184 M CA 0.008 54.842 55.300 -0.778 0.000 1.131 184 M CB -0.263 31.256 32.600 -1.803 0.000 1.733 184 M HN 0.496 nan 8.290 nan 0.000 0.467 185 R N 5.805 126.013 120.500 -0.486 0.000 2.255 185 R HA 0.446 4.788 4.340 0.003 0.000 0.326 185 R C -1.059 174.832 176.300 -0.682 0.000 0.986 185 R CA -0.437 55.289 56.100 -0.623 0.000 0.847 185 R CB 0.700 30.600 30.300 -0.667 0.000 1.111 185 R HN 0.640 nan 8.270 nan 0.000 0.452 186 I N 3.951 124.142 120.570 -0.631 0.000 2.388 186 I HA 0.194 4.366 4.170 0.003 0.000 0.281 186 I C -0.325 175.617 176.117 -0.292 0.000 1.046 186 I CA -1.114 59.969 61.300 -0.362 0.000 1.187 186 I CB 0.344 38.225 38.000 -0.198 0.000 1.351 186 I HN 0.406 nan 8.210 nan 0.000 0.472 187 W N 6.959 128.268 121.300 0.015 0.000 2.367 187 W HA 0.461 5.123 4.660 0.003 0.000 0.329 187 W C 0.380 176.944 176.519 0.075 0.000 1.066 187 W CA -0.755 56.614 57.345 0.039 0.000 1.435 187 W CB 0.487 29.958 29.460 0.019 0.000 1.296 187 W HN 0.294 nan 8.180 nan 0.000 0.401 188 M N 3.325 123.125 119.600 0.332 0.000 2.243 188 M HA 0.084 4.566 4.480 0.003 0.000 0.341 188 M C 0.417 176.834 176.300 0.196 0.000 1.130 188 M CA 0.261 55.723 55.300 0.269 0.000 1.162 188 M CB 0.438 33.248 32.600 0.349 0.000 1.497 188 M HN 0.315 nan 8.290 nan 0.000 0.456 189 N N 3.968 122.651 118.700 -0.028 0.000 2.518 189 N HA 0.278 5.020 4.740 0.003 0.000 0.254 189 N C -2.116 173.010 175.510 -0.640 0.000 0.979 189 N CA -1.968 50.814 53.050 -0.446 0.000 0.930 189 N CB 1.774 40.092 38.487 -0.282 0.000 1.152 189 N HN 0.337 nan 8.380 nan 0.000 0.505 190 P HA -0.169 nan 4.420 nan 0.000 0.216 190 P C 0.571 177.456 177.300 -0.691 0.000 1.150 190 P CA 1.407 63.769 63.100 -1.230 0.000 0.843 190 P CB 0.598 31.031 31.700 -2.112 0.000 0.787 191 N N 0.266 118.558 118.700 -0.681 0.000 2.043 191 N HA -0.156 4.586 4.740 0.003 0.000 0.193 191 N C 1.869 177.168 175.510 -0.351 0.000 1.037 191 N CA 1.116 53.906 53.050 -0.432 0.000 0.851 191 N CB -0.346 37.946 38.487 -0.324 0.000 1.027 191 N HN 0.347 nan 8.380 nan 0.000 0.422 192 E N 0.847 120.873 120.200 -0.290 0.000 2.152 192 E HA -0.082 4.270 4.350 0.003 0.000 0.192 192 E C 2.045 178.582 176.600 -0.104 0.000 0.983 192 E CA 0.472 56.759 56.400 -0.188 0.000 0.818 192 E CB -0.014 29.668 29.700 -0.029 0.000 0.758 192 E HN 0.350 nan 8.360 nan 0.000 0.467 193 L N 1.255 122.417 121.223 -0.101 0.000 2.017 193 L HA -0.213 4.129 4.340 0.003 0.000 0.208 193 L C 2.528 179.371 176.870 -0.045 0.000 1.073 193 L CA 1.252 56.099 54.840 0.011 0.000 0.745 193 L CB -0.496 41.584 42.059 0.036 0.000 0.894 193 L HN 0.241 nan 8.230 nan 0.000 0.432 194 N N 0.289 118.871 118.700 -0.197 0.000 2.120 194 N HA -0.276 4.466 4.740 0.003 0.000 0.188 194 N C 2.000 177.339 175.510 -0.285 0.000 1.024 194 N CA 1.232 54.103 53.050 -0.298 0.000 0.852 194 N CB 0.058 38.142 38.487 -0.671 0.000 1.003 194 N HN 0.208 nan 8.380 nan 0.000 0.424 195 K N 0.119 120.301 120.400 -0.363 0.000 2.059 195 K HA -0.179 4.143 4.320 0.003 0.000 0.212 195 K C 0.979 177.289 176.600 -0.483 0.000 1.050 195 K CA 1.639 57.637 56.287 -0.482 0.000 0.927 195 K CB -0.231 31.858 32.500 -0.686 0.000 0.714 195 K HN 0.236 nan 8.250 nan 0.000 0.447 196 F N 0.994 120.902 119.950 -0.070 0.000 2.692 196 F HA 0.153 4.682 4.527 0.003 0.000 0.303 196 F C -0.074 175.711 175.800 -0.024 0.000 1.114 196 F CA -0.244 57.733 58.000 -0.039 0.000 1.361 196 F CB 0.250 39.235 39.000 -0.026 0.000 1.063 196 F HN 0.098 nan 8.300 nan 0.000 0.550 197 Q N 0.759 120.600 119.800 0.068 0.000 2.463 197 Q HA -0.186 4.156 4.340 0.003 0.000 0.299 197 Q C -1.034 175.029 176.000 0.104 0.000 1.353 197 Q CA 0.317 56.158 55.803 0.064 0.000 0.828 197 Q CB -1.884 26.890 28.738 0.061 0.000 1.157 197 Q HN 0.468 nan 8.270 nan 0.000 0.436 198 L N -0.591 120.705 121.223 0.122 0.000 2.371 198 L HA 0.792 5.134 4.340 0.003 0.000 0.262 198 L C 0.370 177.338 176.870 0.162 0.000 1.006 198 L CA -0.576 54.344 54.840 0.134 0.000 0.818 198 L CB 2.197 44.338 42.059 0.137 0.000 1.354 198 L HN 0.223 nan 8.230 nan 0.000 0.415 199 T N -2.779 111.879 114.554 0.173 0.000 2.907 199 T HA 0.480 4.832 4.350 0.003 0.000 0.290 199 T C -2.425 172.399 174.700 0.205 0.000 1.066 199 T CA -2.054 60.184 62.100 0.230 0.000 1.012 199 T CB 2.136 71.144 68.868 0.233 0.000 1.184 199 T HN 0.234 nan 8.240 nan 0.000 0.522 200 P HA -0.081 nan 4.420 nan 0.000 0.220 200 P C 1.633 179.009 177.300 0.127 0.000 1.144 200 P CA 0.553 63.760 63.100 0.179 0.000 0.800 200 P CB -0.132 31.663 31.700 0.159 0.000 0.772 201 V N 0.037 120.027 119.914 0.126 0.000 2.295 201 V HA -0.272 3.850 4.120 0.003 0.000 0.246 201 V C 1.727 177.867 176.094 0.076 0.000 1.049 201 V CA 2.338 64.693 62.300 0.092 0.000 1.024 201 V CB -1.371 30.504 31.823 0.087 0.000 0.648 201 V HN 0.126 nan 8.190 nan 0.000 0.447 202 D N 0.153 120.604 120.400 0.084 0.000 2.097 202 D HA -0.161 4.481 4.640 0.003 0.000 0.195 202 D C 2.098 178.434 176.300 0.060 0.000 0.989 202 D CA 1.413 55.453 54.000 0.066 0.000 0.827 202 D CB -0.397 40.446 40.800 0.072 0.000 0.966 202 D HN 0.257 nan 8.370 nan 0.000 0.456 203 V N 0.804 120.764 119.914 0.077 0.000 2.287 203 V HA -0.248 3.874 4.120 0.003 0.000 0.248 203 V C 2.306 178.436 176.094 0.059 0.000 1.053 203 V CA 1.371 63.714 62.300 0.071 0.000 1.027 203 V CB -0.461 31.417 31.823 0.092 0.000 0.646 203 V HN 0.258 nan 8.190 nan 0.000 0.447 204 I N -0.187 120.419 120.570 0.059 0.000 2.226 204 I HA -0.233 3.939 4.170 0.003 0.000 0.245 204 I C 2.536 178.671 176.117 0.030 0.000 1.100 204 I CA 1.870 63.195 61.300 0.043 0.000 1.374 204 I CB -0.652 37.373 38.000 0.042 0.000 1.057 204 I HN 0.305 nan 8.210 nan 0.000 0.413 205 T N 0.716 115.288 114.554 0.030 0.000 2.788 205 T HA -0.160 4.192 4.350 0.003 0.000 0.268 205 T C 1.995 176.703 174.700 0.013 0.000 1.044 205 T CA 1.432 63.543 62.100 0.019 0.000 1.139 205 T CB -0.261 68.620 68.868 0.022 0.000 0.867 205 T HN 0.487 nan 8.240 nan 0.000 0.454 206 A N 0.912 123.744 122.820 0.020 0.000 1.930 206 A HA 0.077 4.399 4.320 0.003 0.000 0.217 206 A C 2.224 179.813 177.584 0.009 0.000 1.175 206 A CA 0.930 52.973 52.037 0.011 0.000 0.627 206 A CB -0.603 18.406 19.000 0.015 0.000 0.815 206 A HN 0.530 nan 8.150 nan 0.000 0.443 207 I N -0.865 119.725 120.570 0.033 0.000 2.546 207 I HA -0.189 3.984 4.170 0.003 0.000 0.255 207 I C 2.317 178.450 176.117 0.025 0.000 1.163 207 I CA 1.128 62.462 61.300 0.057 0.000 1.457 207 I CB -0.144 37.926 38.000 0.117 0.000 1.092 207 I HN 0.269 nan 8.210 nan 0.000 0.434 208 K N 0.733 121.138 120.400 0.009 0.000 2.167 208 K HA 0.008 4.330 4.320 0.003 0.000 0.203 208 K C 2.145 178.735 176.600 -0.016 0.000 1.052 208 K CA 1.194 57.476 56.287 -0.008 0.000 0.956 208 K CB -0.023 32.468 32.500 -0.016 0.000 0.735 208 K HN 0.261 nan 8.250 nan 0.000 0.451 209 A N 0.657 123.467 122.820 -0.017 0.000 1.984 209 A HA -0.053 4.270 4.320 0.003 0.000 0.214 209 A C 1.592 179.153 177.584 -0.037 0.000 1.173 209 A CA 0.819 52.843 52.037 -0.023 0.000 0.673 209 A CB 0.082 19.071 19.000 -0.018 0.000 0.830 209 A HN 0.209 nan 8.150 nan 0.000 0.453 210 Q N -1.267 118.503 119.800 -0.050 0.000 2.247 210 Q HA 0.114 4.456 4.340 0.003 0.000 0.211 210 Q C -0.224 175.696 176.000 -0.133 0.000 0.861 210 Q CA -0.068 55.685 55.803 -0.083 0.000 0.949 210 Q CB 0.343 29.029 28.738 -0.086 0.000 1.115 210 Q HN 0.520 nan 8.270 nan 0.000 0.507 211 N N 0.918 119.552 118.700 -0.110 0.000 2.813 211 N HA 0.347 5.089 4.740 0.003 0.000 0.282 211 N C -1.619 173.865 175.510 -0.044 0.000 1.748 211 N CA -0.145 52.825 53.050 -0.133 0.000 0.860 211 N CB 0.773 39.172 38.487 -0.147 0.000 1.204 211 N HN 0.110 nan 8.380 nan 0.000 0.490 212 A N 0.857 123.651 122.820 -0.045 0.000 2.350 212 A HA 0.737 5.059 4.320 0.003 0.000 0.318 212 A C -0.816 176.756 177.584 -0.020 0.000 1.132 212 A CA -0.546 51.476 52.037 -0.024 0.000 0.811 212 A CB 1.465 20.449 19.000 -0.027 0.000 1.313 212 A HN 0.388 nan 8.150 nan 0.000 0.454 213 Q N 0.671 120.464 119.800 -0.013 0.000 2.771 213 Q HA 0.484 4.826 4.340 0.003 0.000 0.247 213 Q C -1.304 174.689 176.000 -0.012 0.000 0.986 213 Q CA -0.313 55.484 55.803 -0.010 0.000 0.713 213 Q CB 0.878 29.614 28.738 -0.003 0.000 1.241 213 Q HN 0.772 nan 8.270 nan 0.000 0.488 214 V N 0.694 120.599 119.914 -0.014 0.000 2.607 214 V HA 0.886 5.008 4.120 0.003 0.000 0.289 214 V C 0.380 176.467 176.094 -0.012 0.000 1.053 214 V CA -0.848 61.444 62.300 -0.013 0.000 0.996 214 V CB 1.187 33.001 31.823 -0.015 0.000 0.995 214 V HN 0.693 nan 8.190 nan 0.000 0.476 215 A N 3.192 126.005 122.820 -0.011 0.000 2.309 215 A HA 0.730 5.052 4.320 0.003 0.000 0.290 215 A C 0.789 178.368 177.584 -0.010 0.000 1.206 215 A CA 0.117 52.148 52.037 -0.010 0.000 0.850 215 A CB 0.690 19.685 19.000 -0.009 0.000 1.118 215 A HN 1.725 nan 8.150 nan 0.000 0.523 216 A N 2.619 125.434 122.820 -0.009 0.000 2.571 216 A HA 0.586 4.908 4.320 0.003 0.000 0.274 216 A C 1.201 178.780 177.584 -0.008 0.000 1.196 216 A CA 0.801 52.833 52.037 -0.009 0.000 0.957 216 A CB -0.821 18.173 19.000 -0.010 0.000 1.150 216 A HN 2.734 nan 8.150 nan 0.000 0.539 217 G N -0.177 108.618 108.800 -0.007 0.000 2.645 217 G HA2 -0.167 3.795 3.960 0.003 0.000 0.239 217 G HA3 -0.167 3.795 3.960 0.003 0.000 0.239 217 G C -0.412 174.484 174.900 -0.006 0.000 1.331 217 G CA 0.150 45.246 45.100 -0.007 0.000 0.890 217 G HN 0.737 nan 8.290 nan 0.000 0.572 218 Q N -1.450 118.347 119.800 -0.006 0.000 2.552 218 Q HA 0.757 5.099 4.340 0.003 0.000 0.289 218 Q C -0.361 175.636 176.000 -0.005 0.000 1.097 218 Q CA -0.968 54.832 55.803 -0.005 0.000 0.812 218 Q CB 2.124 30.859 28.738 -0.005 0.000 1.460 218 Q HN 0.542 nan 8.270 nan 0.000 0.452 219 L N 0.755 121.975 121.223 -0.005 0.000 2.275 219 L HA 0.486 4.828 4.340 0.003 0.000 0.288 219 L C 0.693 177.561 176.870 -0.004 0.000 1.046 219 L CA -0.054 54.784 54.840 -0.004 0.000 0.805 219 L CB 1.044 43.100 42.059 -0.004 0.000 1.193 219 L HN 0.991 nan 8.230 nan 0.000 0.426 220 G N 2.539 111.337 108.800 -0.004 0.000 2.272 220 G HA2 -0.196 3.766 3.960 0.003 0.000 0.280 220 G HA3 -0.196 3.766 3.960 0.003 0.000 0.280 220 G C 0.367 175.264 174.900 -0.004 0.000 1.067 220 G CA 0.068 45.166 45.100 -0.004 0.000 0.902 220 G HN 0.959 nan 8.290 nan 0.000 0.500 221 G N -0.194 108.604 108.800 -0.004 0.000 2.420 221 G HA2 0.720 4.683 3.960 0.003 0.000 0.284 221 G HA3 0.720 4.683 3.960 0.003 0.000 0.284 221 G C 0.665 175.563 174.900 -0.004 0.000 1.177 221 G CA 0.511 45.608 45.100 -0.004 0.000 0.841 221 G HN 1.369 nan 8.290 nan 0.000 0.527 222 T N 0.580 115.132 114.554 -0.004 0.000 2.946 222 T HA 0.351 4.703 4.350 0.003 0.000 0.311 222 T C -1.780 172.918 174.700 -0.004 0.000 1.063 222 T CA -0.928 61.170 62.100 -0.003 0.000 1.139 222 T CB 0.973 69.839 68.868 -0.003 0.000 0.994 222 T HN 0.431 nan 8.240 nan 0.000 0.547 223 P HA 0.404 nan 4.420 nan 0.000 0.287 223 P C -2.540 174.759 177.300 -0.003 0.000 1.281 223 P CA -1.444 61.654 63.100 -0.003 0.000 0.781 223 P CB 0.611 32.309 31.700 -0.003 0.000 0.903 224 P HA 0.144 nan 4.420 nan 0.000 0.281 224 P C -0.128 177.171 177.300 -0.003 0.000 1.264 224 P CA -0.476 62.622 63.100 -0.003 0.000 0.824 224 P CB 1.018 32.716 31.700 -0.003 0.000 1.092 225 V N -1.522 118.390 119.914 -0.003 0.000 3.003 225 V HA 0.290 4.413 4.120 0.003 0.000 0.305 225 V C 0.520 176.613 176.094 -0.002 0.000 1.078 225 V CA -0.790 61.509 62.300 -0.002 0.000 1.083 225 V CB -0.091 31.730 31.823 -0.002 0.000 1.039 225 V HN 0.579 nan 8.190 nan 0.000 0.481 226 K N 2.054 122.453 120.400 -0.002 0.000 2.416 226 K HA 0.465 4.787 4.320 0.003 0.000 0.283 226 K C 1.056 177.655 176.600 -0.002 0.000 1.037 226 K CA 0.834 57.120 56.287 -0.002 0.000 0.995 226 K CB 0.150 32.649 32.500 -0.002 0.000 0.938 226 K HN 1.608 nan 8.250 nan 0.000 0.475 227 G N 2.407 111.206 108.800 -0.002 0.000 2.179 227 G HA2 -0.256 3.706 3.960 0.003 0.000 0.220 227 G HA3 -0.256 3.706 3.960 0.003 0.000 0.220 227 G C -0.137 174.762 174.900 -0.002 0.000 0.990 227 G CA 0.117 45.215 45.100 -0.002 0.000 0.646 227 G HN 0.636 nan 8.290 nan 0.000 0.517 228 Q N 0.179 119.978 119.800 -0.002 0.000 2.286 228 Q HA 0.522 4.864 4.340 0.003 0.000 0.290 228 Q C 1.170 177.169 176.000 -0.002 0.000 1.049 228 Q CA 1.073 56.875 55.803 -0.002 0.000 0.923 228 Q CB 1.116 29.852 28.738 -0.003 0.000 1.183 228 Q HN 0.458 nan 8.270 nan 0.000 0.383 229 Q N 2.944 122.743 119.800 -0.002 0.000 2.369 229 Q HA 0.296 4.639 4.340 0.003 0.000 0.254 229 Q C -1.011 174.988 176.000 -0.002 0.000 0.858 229 Q CA 0.063 55.864 55.803 -0.002 0.000 0.961 229 Q CB 0.573 29.310 28.738 -0.002 0.000 1.119 229 Q HN 0.601 nan 8.270 nan 0.000 0.538 230 L N 1.663 122.884 121.223 -0.003 0.000 2.296 230 L HA 0.542 4.884 4.340 0.003 0.000 0.286 230 L C -1.422 175.447 176.870 -0.003 0.000 1.023 230 L CA -0.108 54.730 54.840 -0.003 0.000 0.812 230 L CB 1.567 43.624 42.059 -0.003 0.000 1.223 230 L HN 0.199 nan 8.230 nan 0.000 0.421 231 N N 4.461 123.159 118.700 -0.003 0.000 2.448 231 N HA 0.794 5.536 4.740 0.003 0.000 0.279 231 N C -1.705 173.803 175.510 -0.004 0.000 1.025 231 N CA -0.214 52.834 53.050 -0.003 0.000 0.898 231 N CB 1.640 40.125 38.487 -0.003 0.000 1.303 231 N HN 0.888 nan 8.380 nan 0.000 0.495 232 A N 2.155 124.973 122.820 -0.004 0.000 2.587 232 A HA 0.569 4.891 4.320 0.003 0.000 0.293 232 A C -0.774 176.808 177.584 -0.005 0.000 1.087 232 A CA -0.593 51.441 52.037 -0.004 0.000 0.692 232 A CB 1.530 20.528 19.000 -0.004 0.000 1.291 232 A HN 0.509 nan 8.150 nan 0.000 0.407 233 S N 0.335 116.032 115.700 -0.005 0.000 2.580 233 S HA 0.488 4.960 4.470 0.003 0.000 0.274 233 S C -0.055 174.542 174.600 -0.006 0.000 1.329 233 S CA -0.122 58.075 58.200 -0.006 0.000 1.036 233 S CB 0.326 63.523 63.200 -0.006 0.000 0.919 233 S HN 0.455 nan 8.310 nan 0.000 0.515 234 I N 3.418 123.984 120.570 -0.007 0.000 2.321 234 I HA 0.283 4.455 4.170 0.003 0.000 0.291 234 I C -0.697 175.415 176.117 -0.008 0.000 0.998 234 I CA -0.377 60.919 61.300 -0.007 0.000 1.227 234 I CB 0.790 38.785 38.000 -0.007 0.000 1.368 234 I HN 0.343 nan 8.210 nan 0.000 0.466 235 I N 6.404 126.969 120.570 -0.008 0.000 2.359 235 I HA 0.410 4.582 4.170 0.003 0.000 0.284 235 I C 0.690 176.800 176.117 -0.011 0.000 1.018 235 I CA -0.038 61.257 61.300 -0.009 0.000 1.173 235 I CB 0.804 38.799 38.000 -0.008 0.000 1.326 235 I HN 0.597 nan 8.210 nan 0.000 0.462 236 A N 6.547 129.360 122.820 -0.013 0.000 3.623 236 A HA 0.413 4.735 4.320 0.003 0.000 0.157 236 A C 0.502 178.075 177.584 -0.018 0.000 1.850 236 A CA -0.224 51.804 52.037 -0.015 0.000 1.186 236 A CB -0.003 18.988 19.000 -0.015 0.000 1.824 236 A HN 0.643 nan 8.150 nan 0.000 0.710 237 Q N -0.652 119.135 119.800 -0.022 0.000 2.428 237 Q HA 0.341 4.683 4.340 0.003 0.000 0.276 237 Q C -0.395 175.591 176.000 -0.024 0.000 1.059 237 Q CA 0.723 56.508 55.803 -0.028 0.000 0.923 237 Q CB 0.381 29.099 28.738 -0.034 0.000 1.283 237 Q HN 0.631 nan 8.270 nan 0.000 0.447 238 T N 0.703 115.240 114.554 -0.028 0.000 2.883 238 T HA 0.367 4.719 4.350 0.003 0.000 0.296 238 T C -1.002 173.685 174.700 -0.021 0.000 1.117 238 T CA -0.921 61.168 62.100 -0.018 0.000 1.006 238 T CB 0.962 69.822 68.868 -0.012 0.000 1.191 238 T HN 0.386 nan 8.240 nan 0.000 0.508 239 R N 1.827 122.328 120.500 0.002 0.000 2.679 239 R HA 0.237 4.579 4.340 0.003 0.000 0.268 239 R C -0.184 176.127 176.300 0.018 0.000 1.044 239 R CA -0.473 55.644 56.100 0.027 0.000 1.105 239 R CB -0.271 30.076 30.300 0.078 0.000 0.989 239 R HN 0.383 nan 8.270 nan 0.000 0.447 240 L N 1.219 122.424 121.223 -0.030 0.000 2.452 240 L HA 0.115 4.457 4.340 0.003 0.000 0.267 240 L C 1.659 178.663 176.870 0.224 0.000 1.188 240 L CA 0.987 55.760 54.840 -0.111 0.000 0.821 240 L CB 0.755 42.371 42.059 -0.739 0.000 1.102 240 L HN 0.890 nan 8.230 nan 0.000 0.470 241 T N -3.746 110.941 114.554 0.220 0.000 3.058 241 T HA 0.319 4.672 4.350 0.003 0.000 0.278 241 T C 0.195 175.103 174.700 0.347 0.000 0.974 241 T CA 0.356 62.663 62.100 0.345 0.000 0.893 241 T CB 0.024 69.001 68.868 0.181 0.000 1.138 241 T HN 0.577 nan 8.240 nan 0.000 0.529 242 S N 0.077 115.941 115.700 0.273 0.000 2.596 242 S HA 0.469 4.941 4.470 0.003 0.000 0.270 242 S C 1.039 175.759 174.600 0.200 0.000 1.155 242 S CA 0.013 58.333 58.200 0.201 0.000 0.827 242 S CB 1.230 64.507 63.200 0.129 0.000 1.130 242 S HN 0.250 nan 8.310 nan 0.000 0.467 243 T N -1.440 113.174 114.554 0.099 0.000 2.759 243 T HA -0.176 4.176 4.350 0.003 0.000 0.269 243 T C 1.376 176.138 174.700 0.102 0.000 1.042 243 T CA 1.669 63.807 62.100 0.063 0.000 1.140 243 T CB -0.785 68.082 68.868 -0.001 0.000 0.864 243 T HN 0.776 nan 8.240 nan 0.000 0.455 244 E N 1.303 121.549 120.200 0.077 0.000 2.077 244 E HA -0.210 4.142 4.350 0.003 0.000 0.193 244 E C 2.256 178.884 176.600 0.046 0.000 0.989 244 E CA 1.383 57.816 56.400 0.054 0.000 0.800 244 E CB -0.134 29.590 29.700 0.040 0.000 0.746 244 E HN 0.727 nan 8.360 nan 0.000 0.452 245 E N -0.579 119.646 120.200 0.042 0.000 2.110 245 E HA -0.169 4.183 4.350 0.003 0.000 0.193 245 E C 1.893 178.435 176.600 -0.097 0.000 0.988 245 E CA 0.972 57.346 56.400 -0.043 0.000 0.804 245 E CB -0.141 29.506 29.700 -0.088 0.000 0.745 245 E HN 0.314 nan 8.360 nan 0.000 0.458 246 F N 0.557 120.468 119.950 -0.065 0.000 2.206 246 F HA -0.010 4.519 4.527 0.004 0.000 0.298 246 F C 2.484 178.246 175.800 -0.062 0.000 1.090 246 F CA 1.088 59.038 58.000 -0.083 0.000 1.323 246 F CB -0.454 38.461 39.000 -0.142 0.000 1.028 246 F HN 0.059 nan 8.300 nan 0.000 0.492 247 G N 0.311 109.193 108.800 0.137 0.000 2.450 247 G HA2 -0.282 3.680 3.960 0.003 0.000 0.220 247 G HA3 -0.282 3.680 3.960 0.003 0.000 0.220 247 G C 1.361 176.277 174.900 0.026 0.000 1.130 247 G CA 0.930 46.071 45.100 0.069 0.000 0.760 247 G HN 0.452 nan 8.290 nan 0.000 0.557 248 K N 0.052 120.454 120.400 0.003 0.000 2.500 248 K HA 0.368 4.691 4.320 0.003 0.000 0.206 248 K C 0.152 176.728 176.600 -0.040 0.000 1.034 248 K CA -0.498 55.776 56.287 -0.022 0.000 1.179 248 K CB -0.005 32.480 32.500 -0.025 0.000 0.884 248 K HN 0.174 nan 8.250 nan 0.000 0.493 249 I N 2.266 122.815 120.570 -0.036 0.000 2.618 249 I HA -0.043 4.130 4.170 0.003 0.000 0.284 249 I C 0.010 176.101 176.117 -0.044 0.000 1.146 249 I CA -0.674 60.597 61.300 -0.049 0.000 1.425 249 I CB 0.622 38.602 38.000 -0.032 0.000 1.383 249 I HN 0.232 nan 8.210 nan 0.000 0.562 250 L N 7.955 129.148 121.223 -0.049 0.000 2.342 250 L HA 0.138 4.480 4.340 0.003 0.000 0.285 250 L C 0.581 177.423 176.870 -0.048 0.000 1.095 250 L CA 0.582 55.390 54.840 -0.054 0.000 0.843 250 L CB 0.438 42.468 42.059 -0.049 0.000 1.201 250 L HN 0.600 nan 8.230 nan 0.000 0.445 251 L N 4.526 125.713 121.223 -0.060 0.000 2.068 251 L HA 0.061 4.403 4.340 0.003 0.000 0.204 251 L C 0.689 177.533 176.870 -0.044 0.000 1.076 251 L CA 0.909 55.722 54.840 -0.045 0.000 0.753 251 L CB -0.235 41.791 42.059 -0.055 0.000 0.910 251 L HN 0.745 nan 8.230 nan 0.000 0.439 252 K N -2.038 118.320 120.400 -0.070 0.000 2.642 252 K HA 0.420 4.742 4.320 0.003 0.000 0.290 252 K C -1.555 175.006 176.600 -0.065 0.000 1.006 252 K CA -0.891 55.365 56.287 -0.051 0.000 0.869 252 K CB 1.833 34.316 32.500 -0.028 0.000 1.499 252 K HN -0.330 nan 8.250 nan 0.000 0.403 253 V N 2.442 122.332 119.914 -0.039 0.000 2.304 253 V HA 0.264 4.386 4.120 0.003 0.000 0.278 253 V C -0.493 175.591 176.094 -0.017 0.000 1.018 253 V CA -1.085 61.194 62.300 -0.035 0.000 0.814 253 V CB 0.793 32.600 31.823 -0.026 0.000 1.021 253 V HN 0.700 nan 8.190 nan 0.000 0.440 254 N N 4.021 122.713 118.700 -0.013 0.000 2.407 254 N HA -0.033 4.709 4.740 0.003 0.000 0.250 254 N C 1.568 177.085 175.510 0.012 0.000 1.236 254 N CA 0.086 53.145 53.050 0.014 0.000 0.879 254 N CB 0.971 39.480 38.487 0.037 0.000 1.088 254 N HN 0.816 nan 8.380 nan 0.000 0.450 255 Q N 0.802 120.612 119.800 0.017 0.000 2.152 255 Q HA -0.279 4.063 4.340 0.003 0.000 0.206 255 Q C 0.844 176.851 176.000 0.012 0.000 0.985 255 Q CA 1.447 57.257 55.803 0.012 0.000 0.863 255 Q CB -0.227 28.520 28.738 0.014 0.000 0.904 255 Q HN 0.577 nan 8.270 nan 0.000 0.422 256 D N 0.718 121.129 120.400 0.018 0.000 2.315 256 D HA -0.147 4.495 4.640 0.003 0.000 0.211 256 D C 1.258 177.565 176.300 0.012 0.000 0.977 256 D CA 1.812 55.822 54.000 0.017 0.000 0.894 256 D CB -0.183 40.633 40.800 0.027 0.000 0.910 256 D HN 0.597 nan 8.370 nan 0.000 0.490 257 G N -0.384 108.420 108.800 0.007 0.000 2.213 257 G HA2 -0.249 3.713 3.960 0.003 0.000 0.226 257 G HA3 -0.249 3.713 3.960 0.003 0.000 0.226 257 G C 0.524 175.421 174.900 -0.005 0.000 0.992 257 G CA 0.406 45.506 45.100 0.000 0.000 0.632 257 G HN 0.416 nan 8.290 nan 0.000 0.511 258 S N 0.012 115.712 115.700 0.000 0.000 2.572 258 S HA 0.444 4.916 4.470 0.003 0.000 0.267 258 S C 0.597 175.173 174.600 -0.040 0.000 1.361 258 S CA 0.280 58.474 58.200 -0.009 0.000 1.009 258 S CB 1.002 64.210 63.200 0.014 0.000 0.888 258 S HN 0.563 nan 8.310 nan 0.000 0.553 259 R N 0.949 121.409 120.500 -0.066 0.000 2.409 259 R HA 0.449 4.791 4.340 0.003 0.000 0.313 259 R C -1.757 174.435 176.300 -0.180 0.000 0.953 259 R CA -0.368 55.674 56.100 -0.096 0.000 0.849 259 R CB 0.992 31.251 30.300 -0.068 0.000 1.171 259 R HN 0.418 nan 8.270 nan 0.000 0.458 260 V N 6.748 126.516 119.914 -0.244 0.000 2.318 260 V HA 0.306 4.428 4.120 0.003 0.000 0.271 260 V C 0.137 176.073 176.094 -0.263 0.000 1.030 260 V CA -0.563 61.483 62.300 -0.422 0.000 0.844 260 V CB 0.890 32.371 31.823 -0.571 0.000 1.015 260 V HN 0.607 nan 8.190 nan 0.000 0.460 261 L N 3.950 125.046 121.223 -0.213 0.000 2.360 261 L HA 0.420 4.762 4.340 0.003 0.000 0.271 261 L C 1.475 178.294 176.870 -0.085 0.000 1.057 261 L CA -0.623 54.148 54.840 -0.115 0.000 0.803 261 L CB 1.446 43.460 42.059 -0.075 0.000 1.207 261 L HN 0.496 nan 8.230 nan 0.000 0.445 262 L N 1.817 123.019 121.223 -0.034 0.000 2.089 262 L HA -0.248 4.094 4.340 0.003 0.000 0.213 262 L C 2.823 179.705 176.870 0.020 0.000 1.079 262 L CA 1.812 56.656 54.840 0.006 0.000 0.758 262 L CB -0.226 41.858 42.059 0.041 0.000 0.891 262 L HN 0.778 nan 8.230 nan 0.000 0.433 263 R N -1.105 119.404 120.500 0.015 0.000 2.193 263 R HA -0.159 4.183 4.340 0.003 0.000 0.229 263 R C 1.216 177.537 176.300 0.036 0.000 1.110 263 R CA 1.577 57.695 56.100 0.030 0.000 0.988 263 R CB -0.526 29.789 30.300 0.024 0.000 0.871 263 R HN 0.314 nan 8.270 nan 0.000 0.458 264 D N 0.856 121.263 120.400 0.011 0.000 2.347 264 D HA -0.048 4.594 4.640 0.003 0.000 0.215 264 D C 1.458 177.843 176.300 0.142 0.000 0.976 264 D CA 1.189 55.218 54.000 0.048 0.000 0.884 264 D CB 0.771 41.524 40.800 -0.079 0.000 0.915 264 D HN 0.365 nan 8.370 nan 0.000 0.526 265 V N -3.759 116.217 119.914 0.103 0.000 3.330 265 V HA 0.755 4.877 4.120 0.003 0.000 0.309 265 V C 0.197 176.345 176.094 0.089 0.000 1.481 265 V CA -0.100 62.274 62.300 0.124 0.000 1.068 265 V CB 0.136 32.046 31.823 0.145 0.000 0.935 265 V HN 0.018 nan 8.190 nan 0.000 0.453 266 A N 0.056 122.930 122.820 0.090 0.000 2.601 266 A HA 0.724 5.046 4.320 0.003 0.000 0.291 266 A C -1.160 176.492 177.584 0.114 0.000 1.075 266 A CA -0.881 51.224 52.037 0.113 0.000 0.671 266 A CB 1.399 20.462 19.000 0.105 0.000 1.277 266 A HN 0.222 nan 8.150 nan 0.000 0.417 267 K N 0.686 121.187 120.400 0.168 0.000 2.211 267 K HA 0.560 4.882 4.320 0.003 0.000 0.275 267 K C -1.287 175.389 176.600 0.125 0.000 1.024 267 K CA -0.334 56.051 56.287 0.163 0.000 0.887 267 K CB 1.210 33.842 32.500 0.220 0.000 1.084 267 K HN 0.451 nan 8.250 nan 0.000 0.463 268 I N 2.737 123.339 120.570 0.053 0.000 2.336 268 I HA 0.217 4.389 4.170 0.003 0.000 0.292 268 I C -0.016 176.081 176.117 -0.033 0.000 0.991 268 I CA 0.065 61.342 61.300 -0.039 0.000 1.227 268 I CB 1.178 39.157 38.000 -0.035 0.000 1.366 268 I HN 0.625 nan 8.210 nan 0.000 0.466 269 E N 5.623 125.760 120.200 -0.105 0.000 2.390 269 E HA 0.345 4.697 4.350 0.003 0.000 0.280 269 E C -1.871 174.636 176.600 -0.155 0.000 0.992 269 E CA -0.868 55.497 56.400 -0.059 0.000 0.790 269 E CB 1.739 31.505 29.700 0.111 0.000 1.248 269 E HN 0.304 nan 8.360 nan 0.000 0.447 270 L N 2.867 123.974 121.223 -0.194 0.000 2.325 270 L HA 0.603 4.945 4.340 0.003 0.000 0.284 270 L C 0.150 176.780 176.870 -0.399 0.000 1.089 270 L CA 0.728 55.363 54.840 -0.341 0.000 0.836 270 L CB 0.699 42.479 42.059 -0.465 0.000 1.184 270 L HN 0.628 nan 8.230 nan 0.000 0.444 271 G N 2.344 111.057 108.800 -0.145 0.000 2.694 271 G HA2 0.592 4.554 3.960 0.003 0.000 0.290 271 G HA3 0.592 4.554 3.960 0.003 0.000 0.290 271 G C -0.420 174.598 174.900 0.198 0.000 1.386 271 G CA -0.343 44.835 45.100 0.130 0.000 0.872 271 G HN 0.779 nan 8.290 nan 0.000 0.475 272 G N -1.041 107.755 108.800 -0.007 0.000 2.664 272 G HA2 0.331 4.293 3.960 0.003 0.000 0.242 272 G HA3 0.331 4.293 3.960 0.003 0.000 0.242 272 G C 0.580 175.451 174.900 -0.048 0.000 1.225 272 G CA -0.084 44.949 45.100 -0.112 0.000 0.849 272 G HN 0.634 nan 8.290 nan 0.000 0.581 273 E N -0.292 119.906 120.200 -0.004 0.000 2.347 273 E HA -0.023 4.329 4.350 0.003 0.000 0.196 273 E C 0.467 176.969 176.600 -0.163 0.000 1.008 273 E CA 1.003 57.400 56.400 -0.004 0.000 0.852 273 E CB 0.015 29.788 29.700 0.121 0.000 0.783 273 E HN 0.655 nan 8.360 nan 0.000 0.505 274 N N -1.682 116.956 118.700 -0.103 0.000 2.823 274 N HA 0.087 4.829 4.740 0.003 0.000 0.251 274 N C -1.440 174.011 175.510 -0.098 0.000 1.392 274 N CA -0.759 52.295 53.050 0.007 0.000 0.864 274 N CB 0.351 38.844 38.487 0.011 0.000 1.481 274 N HN -0.167 nan 8.380 nan 0.000 0.508 275 Y N -0.611 119.718 120.300 0.048 0.000 2.634 275 Y HA 0.378 4.930 4.550 0.003 0.000 0.292 275 Y C -0.067 175.863 175.900 0.049 0.000 0.996 275 Y CA -0.694 57.442 58.100 0.059 0.000 1.165 275 Y CB 0.372 38.866 38.460 0.057 0.000 1.194 275 Y HN 0.574 nan 8.280 nan 0.000 0.585 276 D N 0.261 120.743 120.400 0.138 0.000 2.240 276 D HA 0.152 4.795 4.640 0.003 0.000 0.206 276 D C 0.440 176.812 176.300 0.120 0.000 0.963 276 D CA 1.122 55.195 54.000 0.122 0.000 0.863 276 D CB 1.056 41.922 40.800 0.110 0.000 0.973 276 D HN 0.266 nan 8.370 nan 0.000 0.501 277 I N 1.132 121.770 120.570 0.112 0.000 2.509 277 I HA 0.363 4.535 4.170 0.003 0.000 0.293 277 I C -0.596 175.573 176.117 0.087 0.000 1.020 277 I CA -0.607 60.771 61.300 0.130 0.000 1.088 277 I CB 2.553 40.672 38.000 0.197 0.000 1.267 277 I HN -0.332 nan 8.210 nan 0.000 0.430 278 I N 4.977 125.586 120.570 0.065 0.000 2.512 278 I HA 0.593 4.765 4.170 0.003 0.000 0.287 278 I C -0.320 175.774 176.117 -0.037 0.000 1.069 278 I CA -0.441 60.872 61.300 0.022 0.000 1.056 278 I CB 2.012 40.026 38.000 0.022 0.000 1.229 278 I HN 0.611 nan 8.210 nan 0.000 0.429 279 A N 5.377 128.147 122.820 -0.083 0.000 2.322 279 A HA 0.899 5.221 4.320 0.003 0.000 0.327 279 A C -0.806 176.601 177.584 -0.295 0.000 1.134 279 A CA -0.467 51.407 52.037 -0.271 0.000 0.831 279 A CB 1.721 20.499 19.000 -0.369 0.000 1.288 279 A HN 0.744 nan 8.150 nan 0.000 0.472 280 E N -0.534 119.389 120.200 -0.462 0.000 2.356 280 E HA 0.445 4.797 4.350 0.003 0.000 0.275 280 E C -2.136 174.293 176.600 -0.285 0.000 0.904 280 E CA -0.409 55.826 56.400 -0.275 0.000 0.757 280 E CB 2.502 32.108 29.700 -0.158 0.000 1.232 280 E HN 0.479 nan 8.360 nan 0.000 0.442 281 F N 3.842 123.673 119.950 -0.199 0.000 2.434 281 F HA 0.345 4.875 4.527 0.005 0.000 0.355 281 F C -0.243 175.548 175.800 -0.014 0.000 1.115 281 F CA -0.775 57.200 58.000 -0.041 0.000 1.010 281 F CB 0.463 39.517 39.000 0.090 0.000 1.234 281 F HN 0.430 nan 8.300 nan 0.000 0.439 282 N N 4.219 122.671 118.700 -0.413 0.000 2.740 282 N HA -0.201 4.541 4.740 0.003 0.000 0.248 282 N C 1.045 176.465 175.510 -0.151 0.000 1.062 282 N CA 1.343 54.186 53.050 -0.346 0.000 0.704 282 N CB -1.327 36.858 38.487 -0.503 0.000 0.968 282 N HN 1.335 nan 8.380 nan 0.000 0.547 283 G N -0.866 107.877 108.800 -0.095 0.000 2.184 283 G HA2 -0.371 3.591 3.960 0.003 0.000 0.264 283 G HA3 -0.371 3.591 3.960 0.003 0.000 0.264 283 G C -0.134 174.751 174.900 -0.025 0.000 0.975 283 G CA 0.899 45.970 45.100 -0.048 0.000 0.642 283 G HN 0.772 nan 8.290 nan 0.000 0.536 284 Q N 0.560 120.358 119.800 -0.004 0.000 2.266 284 Q HA 0.595 4.937 4.340 0.003 0.000 0.261 284 Q C -2.636 173.385 176.000 0.034 0.000 0.985 284 Q CA -2.404 53.418 55.803 0.032 0.000 0.873 284 Q CB 1.958 30.741 28.738 0.075 0.000 1.306 284 Q HN 0.111 nan 8.270 nan 0.000 0.447 285 P HA -0.013 nan 4.420 nan 0.000 0.261 285 P C -1.460 175.849 177.300 0.016 0.000 1.173 285 P CA 0.621 63.725 63.100 0.006 0.000 0.760 285 P CB 0.617 32.324 31.700 0.010 0.000 0.783 286 A N 2.074 124.889 122.820 -0.008 0.000 2.557 286 A HA 0.802 5.124 4.320 0.003 0.000 0.292 286 A C -0.752 176.851 177.584 0.033 0.000 1.139 286 A CA -0.258 51.791 52.037 0.020 0.000 0.665 286 A CB 1.473 20.515 19.000 0.069 0.000 1.285 286 A HN 0.418 nan 8.150 nan 0.000 0.433 287 S N -2.327 113.441 115.700 0.114 0.000 2.819 287 S HA 0.926 5.398 4.470 0.003 0.000 0.299 287 S C -0.311 174.462 174.600 0.288 0.000 1.192 287 S CA 0.472 58.767 58.200 0.159 0.000 0.847 287 S CB 1.476 64.698 63.200 0.038 0.000 1.224 287 S HN 2.695 nan 8.310 nan 0.000 0.537 288 G N -0.010 108.908 108.800 0.197 0.000 2.320 288 G HA2 0.391 4.354 3.960 0.003 0.000 0.297 288 G HA3 0.391 4.354 3.960 0.003 0.000 0.297 288 G C -2.510 172.337 174.900 -0.088 0.000 1.344 288 G CA -0.771 44.374 45.100 0.075 0.000 0.851 288 G HN 0.772 nan 8.290 nan 0.000 0.567 289 L N 0.716 121.820 121.223 -0.198 0.000 2.349 289 L HA 0.654 4.996 4.340 0.003 0.000 0.278 289 L C 0.697 177.389 176.870 -0.297 0.000 0.996 289 L CA -0.817 53.838 54.840 -0.309 0.000 0.825 289 L CB 2.179 44.123 42.059 -0.191 0.000 1.243 289 L HN 0.818 nan 8.230 nan 0.000 0.412 290 G N 4.522 113.043 108.800 -0.465 0.000 2.327 290 G HA2 0.628 4.590 3.960 0.003 0.000 0.302 290 G HA3 0.628 4.590 3.960 0.003 0.000 0.302 290 G C -0.492 174.499 174.900 0.152 0.000 1.113 290 G CA -0.312 44.659 45.100 -0.216 0.000 0.921 290 G HN 0.456 nan 8.290 nan 0.000 0.425 291 I N 2.786 123.510 120.570 0.256 0.000 2.354 291 I HA 0.301 4.473 4.170 0.003 0.000 0.292 291 I C -0.137 176.148 176.117 0.279 0.000 0.989 291 I CA -0.875 60.554 61.300 0.215 0.000 1.188 291 I CB 1.815 39.880 38.000 0.109 0.000 1.342 291 I HN 0.110 nan 8.210 nan 0.000 0.457 292 K N 6.607 127.101 120.400 0.156 0.000 2.138 292 K HA 0.480 4.802 4.320 0.003 0.000 0.263 292 K C -0.580 176.069 176.600 0.083 0.000 0.965 292 K CA -0.773 55.566 56.287 0.086 0.000 0.868 292 K CB 2.345 34.856 32.500 0.018 0.000 1.083 292 K HN 0.550 nan 8.250 nan 0.000 0.443 293 L N 2.430 123.704 121.223 0.086 0.000 2.319 293 L HA 0.163 4.505 4.340 0.003 0.000 0.280 293 L C 0.222 177.126 176.870 0.055 0.000 1.099 293 L CA -0.269 54.616 54.840 0.075 0.000 0.828 293 L CB 1.016 43.128 42.059 0.087 0.000 1.150 293 L HN 0.732 nan 8.230 nan 0.000 0.442 294 A N 3.507 126.354 122.820 0.044 0.000 2.483 294 A HA 0.169 4.491 4.320 0.003 0.000 0.238 294 A C 0.482 178.083 177.584 0.029 0.000 1.070 294 A CA -0.203 51.852 52.037 0.030 0.000 0.770 294 A CB -0.093 18.920 19.000 0.021 0.000 1.008 294 A HN 0.769 nan 8.150 nan 0.000 0.497 295 T N 1.853 116.418 114.554 0.019 0.000 2.750 295 T HA 0.354 4.706 4.350 0.003 0.000 0.277 295 T C 1.517 176.226 174.700 0.015 0.000 0.996 295 T CA 1.567 63.676 62.100 0.016 0.000 1.195 295 T CB -0.224 68.641 68.868 -0.005 0.000 0.963 295 T HN 2.073 nan 8.240 nan 0.000 0.516 296 G N 2.229 111.046 108.800 0.028 0.000 2.184 296 G HA2 -0.108 3.854 3.960 0.003 0.000 0.264 296 G HA3 -0.108 3.854 3.960 0.003 0.000 0.264 296 G C 0.295 175.213 174.900 0.029 0.000 0.975 296 G CA -0.037 45.080 45.100 0.027 0.000 0.642 296 G HN 1.200 nan 8.290 nan 0.000 0.536 297 A N -0.195 122.645 122.820 0.033 0.000 2.351 297 A HA 0.596 4.918 4.320 0.003 0.000 0.257 297 A C 0.601 178.210 177.584 0.043 0.000 1.087 297 A CA 0.102 52.159 52.037 0.033 0.000 0.798 297 A CB 0.359 19.378 19.000 0.032 0.000 1.033 297 A HN 0.537 nan 8.150 nan 0.000 0.488 298 N N 1.491 120.215 118.700 0.039 0.000 2.411 298 N HA 0.246 4.988 4.740 0.003 0.000 0.259 298 N C 1.109 176.646 175.510 0.046 0.000 1.103 298 N CA 0.388 53.464 53.050 0.043 0.000 0.954 298 N CB 1.287 39.796 38.487 0.037 0.000 1.085 298 N HN 0.615 nan 8.380 nan 0.000 0.485 299 A N 5.476 128.328 122.820 0.054 0.000 1.859 299 A HA -0.180 4.142 4.320 0.003 0.000 0.217 299 A C 2.232 179.843 177.584 0.046 0.000 1.198 299 A CA 1.212 53.285 52.037 0.059 0.000 0.629 299 A CB -0.662 18.382 19.000 0.073 0.000 0.830 299 A HN 0.787 nan 8.150 nan 0.000 0.446 300 L N -0.563 120.681 121.223 0.034 0.000 2.013 300 L HA -0.251 4.091 4.340 0.003 0.000 0.212 300 L C 2.341 179.224 176.870 0.021 0.000 1.073 300 L CA 1.829 56.680 54.840 0.020 0.000 0.753 300 L CB -0.867 41.196 42.059 0.006 0.000 0.890 300 L HN 0.417 nan 8.230 nan 0.000 0.432 301 D N -0.583 119.832 120.400 0.024 0.000 2.117 301 D HA -0.151 4.491 4.640 0.003 0.000 0.197 301 D C 2.115 178.430 176.300 0.025 0.000 0.987 301 D CA 1.922 55.936 54.000 0.023 0.000 0.829 301 D CB -0.135 40.679 40.800 0.024 0.000 0.961 301 D HN 0.346 nan 8.370 nan 0.000 0.460 302 T N 1.080 115.653 114.554 0.032 0.000 2.746 302 T HA -0.109 4.243 4.350 0.003 0.000 0.267 302 T C 2.074 176.796 174.700 0.037 0.000 1.039 302 T CA 1.409 63.530 62.100 0.035 0.000 1.142 302 T CB -0.235 68.659 68.868 0.043 0.000 0.866 302 T HN 0.184 nan 8.240 nan 0.000 0.444 303 A N 1.261 124.105 122.820 0.039 0.000 1.972 303 A HA 0.182 4.504 4.320 0.003 0.000 0.219 303 A C 2.577 180.178 177.584 0.029 0.000 1.169 303 A CA 1.733 53.794 52.037 0.040 0.000 0.635 303 A CB -0.898 18.124 19.000 0.036 0.000 0.810 303 A HN 0.515 nan 8.150 nan 0.000 0.446 304 A N -0.255 122.577 122.820 0.020 0.000 1.897 304 A HA 0.286 4.608 4.320 0.003 0.000 0.215 304 A C 2.479 180.075 177.584 0.019 0.000 1.181 304 A CA 1.655 53.700 52.037 0.014 0.000 0.620 304 A CB -0.937 18.068 19.000 0.009 0.000 0.821 304 A HN 0.984 nan 8.150 nan 0.000 0.443 305 A N 0.193 123.026 122.820 0.021 0.000 1.933 305 A HA -0.094 4.228 4.320 0.003 0.000 0.218 305 A C 2.093 179.693 177.584 0.027 0.000 1.175 305 A CA 1.527 53.577 52.037 0.021 0.000 0.628 305 A CB -0.629 18.383 19.000 0.020 0.000 0.814 305 A HN 0.507 nan 8.150 nan 0.000 0.444 306 I N -1.159 119.431 120.570 0.034 0.000 2.179 306 I HA -0.270 3.902 4.170 0.003 0.000 0.242 306 I C 2.791 178.941 176.117 0.055 0.000 1.088 306 I CA 1.504 62.830 61.300 0.043 0.000 1.357 306 I CB -0.408 37.623 38.000 0.052 0.000 1.051 306 I HN 0.285 nan 8.210 nan 0.000 0.409 307 R N 0.733 121.268 120.500 0.059 0.000 2.081 307 R HA -0.151 4.191 4.340 0.003 0.000 0.235 307 R C 2.496 178.823 176.300 0.045 0.000 1.131 307 R CA 1.516 57.658 56.100 0.069 0.000 0.960 307 R CB -0.455 29.869 30.300 0.039 0.000 0.856 307 R HN 0.391 nan 8.270 nan 0.000 0.436 308 A N 0.964 123.801 122.820 0.028 0.000 1.883 308 A HA -0.259 4.064 4.320 0.003 0.000 0.217 308 A C 2.037 179.634 177.584 0.021 0.000 1.186 308 A CA 1.832 53.880 52.037 0.019 0.000 0.624 308 A CB -0.473 18.535 19.000 0.014 0.000 0.822 308 A HN 0.267 nan 8.150 nan 0.000 0.444 309 E N -0.443 119.773 120.200 0.027 0.000 2.051 309 E HA -0.156 4.196 4.350 0.003 0.000 0.192 309 E C 1.764 178.385 176.600 0.034 0.000 0.991 309 E CA 1.012 57.429 56.400 0.027 0.000 0.799 309 E CB -0.384 29.332 29.700 0.025 0.000 0.748 309 E HN 0.314 nan 8.360 nan 0.000 0.449 310 L N 0.404 121.656 121.223 0.048 0.000 2.081 310 L HA -0.137 4.205 4.340 0.003 0.000 0.212 310 L C 2.276 179.150 176.870 0.008 0.000 1.080 310 L CA 2.062 56.940 54.840 0.062 0.000 0.754 310 L CB -1.385 40.734 42.059 0.102 0.000 0.893 310 L HN 0.262 nan 8.230 nan 0.000 0.433 311 A N -1.240 121.582 122.820 0.003 0.000 1.969 311 A HA -0.201 4.122 4.320 0.003 0.000 0.218 311 A C 2.286 179.836 177.584 -0.056 0.000 1.169 311 A CA 1.389 53.404 52.037 -0.036 0.000 0.635 311 A CB -0.374 18.617 19.000 -0.016 0.000 0.810 311 A HN 0.402 nan 8.150 nan 0.000 0.445 312 K N -1.107 119.288 120.400 -0.008 0.000 2.365 312 K HA 0.058 4.380 4.320 0.003 0.000 0.199 312 K C 1.755 178.403 176.600 0.080 0.000 1.045 312 K CA 1.117 57.429 56.287 0.042 0.000 0.962 312 K CB -0.149 32.384 32.500 0.054 0.000 0.759 312 K HN 0.539 nan 8.250 nan 0.000 0.469 313 M N 0.012 119.598 119.600 -0.023 0.000 2.398 313 M HA -0.055 4.427 4.480 0.003 0.000 0.261 313 M C 1.663 177.622 176.300 -0.567 0.000 1.125 313 M CA 1.084 56.342 55.300 -0.070 0.000 1.183 313 M CB -0.017 32.610 32.600 0.044 0.000 1.322 313 M HN 0.029 nan 8.290 nan 0.000 0.467 314 E N 0.615 120.283 120.200 -0.886 0.000 2.136 314 E HA -0.263 4.089 4.350 0.003 0.000 0.208 314 E C -0.768 175.366 176.600 -0.777 0.000 1.035 314 E CA 1.666 57.352 56.400 -1.191 0.000 0.838 314 E CB -1.715 27.681 29.700 -0.508 0.000 0.748 314 E HN 0.404 nan 8.360 nan 0.000 0.459 315 P HA -0.159 nan 4.420 nan 0.000 0.218 315 P C 0.580 177.402 177.300 -0.798 0.000 1.146 315 P CA 1.226 63.901 63.100 -0.708 0.000 0.813 315 P CB -0.074 31.092 31.700 -0.890 0.000 0.778 316 F N -3.694 116.179 119.950 -0.128 0.000 2.664 316 F HA 0.209 4.738 4.527 0.004 0.000 0.303 316 F C 0.914 176.834 175.800 0.199 0.000 1.092 316 F CA -0.665 57.355 58.000 0.033 0.000 1.305 316 F CB -0.472 38.565 39.000 0.062 0.000 1.054 316 F HN -0.251 nan 8.300 nan 0.000 0.565 317 F N 2.119 122.134 119.950 0.108 0.000 2.545 317 F HA 0.212 4.741 4.527 0.003 0.000 0.348 317 F C -1.415 174.340 175.800 -0.075 0.000 1.163 317 F CA -3.286 54.725 58.000 0.018 0.000 1.331 317 F CB -0.569 38.409 39.000 -0.036 0.000 1.138 317 F HN -0.144 nan 8.300 nan 0.000 0.602 318 P HA 0.117 nan 4.420 nan 0.000 0.273 318 P C -0.901 176.368 177.300 -0.052 0.000 1.250 318 P CA -0.532 62.512 63.100 -0.093 0.000 0.793 318 P CB 0.316 31.854 31.700 -0.270 0.000 1.011 319 S N -0.256 115.423 115.700 -0.035 0.000 2.537 319 S HA 0.349 4.821 4.470 0.003 0.000 0.286 319 S C 1.330 175.907 174.600 -0.037 0.000 1.299 319 S CA 0.238 58.426 58.200 -0.020 0.000 1.067 319 S CB -0.554 62.640 63.200 -0.010 0.000 0.864 319 S HN 0.992 nan 8.310 nan 0.000 0.494 320 G N 1.961 110.749 108.800 -0.020 0.000 2.304 320 G HA2 -0.251 3.711 3.960 0.003 0.000 0.252 320 G HA3 -0.251 3.711 3.960 0.003 0.000 0.252 320 G C 0.091 174.961 174.900 -0.050 0.000 1.014 320 G CA 0.115 45.199 45.100 -0.025 0.000 0.619 320 G HN 0.834 nan 8.290 nan 0.000 0.525 321 L N 1.297 122.462 121.223 -0.095 0.000 2.499 321 L HA 0.582 4.924 4.340 0.003 0.000 0.273 321 L C 0.301 177.122 176.870 -0.080 0.000 1.195 321 L CA 1.038 55.765 54.840 -0.190 0.000 0.882 321 L CB 0.857 42.671 42.059 -0.409 0.000 1.133 321 L HN 0.421 nan 8.230 nan 0.000 0.483 322 K N 5.475 125.811 120.400 -0.106 0.000 2.523 322 K HA 0.433 4.755 4.320 0.003 0.000 0.257 322 K C -1.180 175.369 176.600 -0.084 0.000 0.932 322 K CA -0.729 55.554 56.287 -0.006 0.000 0.812 322 K CB 1.884 34.385 32.500 0.002 0.000 1.326 322 K HN 0.563 nan 8.250 nan 0.000 0.433 323 I N 3.968 124.530 120.570 -0.013 0.000 2.472 323 I HA 0.219 4.391 4.170 0.003 0.000 0.290 323 I C 0.234 176.145 176.117 -0.343 0.000 1.016 323 I CA -0.725 60.456 61.300 -0.199 0.000 1.348 323 I CB 1.415 39.322 38.000 -0.156 0.000 1.417 323 I HN 0.356 nan 8.210 nan 0.000 0.521 324 V N 3.475 123.044 119.914 -0.576 0.000 3.040 324 V HA 0.530 4.652 4.120 0.003 0.000 0.312 324 V C -1.554 174.107 176.094 -0.721 0.000 1.115 324 V CA -0.813 61.160 62.300 -0.545 0.000 0.998 324 V CB 1.933 33.243 31.823 -0.855 0.000 1.042 324 V HN 0.505 nan 8.190 nan 0.000 0.433 325 Y N 2.461 122.656 120.300 -0.175 0.000 2.526 325 Y HA 0.596 5.148 4.550 0.003 0.000 0.328 325 Y C -1.777 174.091 175.900 -0.053 0.000 0.995 325 Y CA -1.894 56.130 58.100 -0.127 0.000 1.304 325 Y CB 1.714 40.132 38.460 -0.071 0.000 1.096 325 Y HN 0.552 nan 8.280 nan 0.000 0.499 326 P HA -0.022 nan 4.420 nan 0.000 0.228 326 P C -0.574 176.818 177.300 0.153 0.000 1.166 326 P CA 0.825 64.013 63.100 0.146 0.000 0.812 326 P CB 1.099 32.884 31.700 0.141 0.000 0.857 327 Y N 0.278 120.509 120.300 -0.115 0.000 2.330 327 Y HA 0.525 5.077 4.550 0.003 0.000 0.324 327 Y C -1.847 174.028 175.900 -0.042 0.000 1.093 327 Y CA -1.026 57.028 58.100 -0.078 0.000 1.103 327 Y CB 1.270 39.630 38.460 -0.167 0.000 1.183 327 Y HN -0.282 nan 8.280 nan 0.000 0.433 328 D N 3.047 123.310 120.400 -0.228 0.000 2.936 328 D HA 0.191 4.834 4.640 0.003 0.000 0.238 328 D C 0.443 176.634 176.300 -0.182 0.000 1.248 328 D CA -0.041 53.891 54.000 -0.113 0.000 0.903 328 D CB 2.091 42.879 40.800 -0.019 0.000 1.544 328 D HN 0.647 nan 8.370 nan 0.000 0.543 329 T N -0.488 114.012 114.554 -0.090 0.000 3.065 329 T HA 0.010 4.362 4.350 0.003 0.000 0.252 329 T C 1.552 176.312 174.700 0.099 0.000 1.099 329 T CA 0.666 62.759 62.100 -0.012 0.000 1.063 329 T CB 0.148 69.055 68.868 0.066 0.000 0.948 329 T HN 0.230 nan 8.240 nan 0.000 0.506 330 T N 3.028 117.623 114.554 0.068 0.000 2.668 330 T HA 0.022 4.374 4.350 0.003 0.000 0.262 330 T C -0.609 174.123 174.700 0.053 0.000 1.045 330 T CA 1.390 63.526 62.100 0.060 0.000 1.152 330 T CB -1.175 67.712 68.868 0.033 0.000 0.864 330 T HN 0.334 nan 8.240 nan 0.000 0.419 331 P HA -0.166 nan 4.420 nan 0.000 0.217 331 P C 1.229 178.584 177.300 0.091 0.000 1.158 331 P CA 1.063 64.191 63.100 0.047 0.000 0.887 331 P CB -0.175 31.564 31.700 0.064 0.000 0.792 332 F N 0.346 120.347 119.950 0.084 0.000 2.025 332 F HA -0.269 4.259 4.527 0.002 0.000 0.297 332 F C 2.114 177.910 175.800 -0.008 0.000 1.132 332 F CA 1.554 59.632 58.000 0.129 0.000 1.191 332 F CB -1.222 37.881 39.000 0.172 0.000 0.963 332 F HN -0.291 nan 8.300 nan 0.000 0.481 333 V N 1.138 120.977 119.914 -0.126 0.000 2.250 333 V HA -0.453 3.669 4.120 0.003 0.000 0.253 333 V C 2.614 178.503 176.094 -0.342 0.000 1.065 333 V CA 2.697 64.844 62.300 -0.255 0.000 1.039 333 V CB -0.914 30.882 31.823 -0.045 0.000 0.647 333 V HN 0.474 nan 8.190 nan 0.000 0.446 334 K N -0.386 119.847 120.400 -0.277 0.000 2.002 334 K HA -0.183 4.139 4.320 0.003 0.000 0.209 334 K C 2.087 178.323 176.600 -0.607 0.000 1.048 334 K CA 2.192 58.231 56.287 -0.412 0.000 0.930 334 K CB -0.298 31.999 32.500 -0.339 0.000 0.714 334 K HN 0.458 nan 8.250 nan 0.000 0.438 335 I N 0.656 120.966 120.570 -0.434 0.000 2.226 335 I HA -0.268 3.904 4.170 0.003 0.000 0.245 335 I C 2.634 178.525 176.117 -0.376 0.000 1.100 335 I CA 1.104 62.197 61.300 -0.346 0.000 1.374 335 I CB -0.404 37.489 38.000 -0.178 0.000 1.057 335 I HN 0.294 nan 8.210 nan 0.000 0.413 336 S N 1.006 116.363 115.700 -0.571 0.000 2.365 336 S HA -0.224 4.248 4.470 0.003 0.000 0.225 336 S C 2.031 176.418 174.600 -0.354 0.000 1.039 336 S CA 1.675 59.505 58.200 -0.615 0.000 1.033 336 S CB -0.266 62.275 63.200 -1.099 0.000 0.887 336 S HN 0.248 nan 8.310 nan 0.000 0.447 337 I N 1.355 121.744 120.570 -0.302 0.000 2.202 337 I HA -0.095 4.077 4.170 0.003 0.000 0.242 337 I C 2.145 178.243 176.117 -0.033 0.000 1.091 337 I CA 1.611 62.820 61.300 -0.152 0.000 1.368 337 I CB -0.652 37.294 38.000 -0.090 0.000 1.058 337 I HN 0.474 nan 8.210 nan 0.000 0.410 338 H N -0.587 118.380 119.070 -0.171 0.000 2.456 338 H HA -0.124 4.434 4.556 0.003 0.000 0.296 338 H C 1.843 177.083 175.328 -0.146 0.000 1.079 338 H CA 0.716 56.681 56.048 -0.139 0.000 1.322 338 H CB 0.291 29.983 29.762 -0.117 0.000 1.388 338 H HN 0.331 nan 8.280 nan 0.000 0.538 339 E N 0.595 120.761 120.200 -0.056 0.000 2.046 339 E HA -0.095 4.257 4.350 0.003 0.000 0.190 339 E C 2.486 179.013 176.600 -0.122 0.000 0.982 339 E CA 0.486 56.824 56.400 -0.104 0.000 0.800 339 E CB -0.096 29.506 29.700 -0.162 0.000 0.756 339 E HN 0.244 nan 8.360 nan 0.000 0.449 340 V N 1.334 121.143 119.914 -0.176 0.000 2.594 340 V HA -0.197 3.925 4.120 0.003 0.000 0.253 340 V C 2.462 178.442 176.094 -0.191 0.000 1.069 340 V CA 1.133 63.273 62.300 -0.266 0.000 1.082 340 V CB -0.432 31.108 31.823 -0.473 0.000 0.680 340 V HN 0.059 nan 8.190 nan 0.000 0.469 341 V N -0.235 119.602 119.914 -0.128 0.000 2.283 341 V HA -0.242 3.880 4.120 0.003 0.000 0.243 341 V C 2.358 178.397 176.094 -0.092 0.000 1.039 341 V CA 2.090 64.330 62.300 -0.100 0.000 1.016 341 V CB -0.842 30.918 31.823 -0.106 0.000 0.650 341 V HN 0.494 nan 8.190 nan 0.000 0.449 342 K N 0.988 121.335 120.400 -0.088 0.000 2.052 342 K HA -0.314 4.008 4.320 0.003 0.000 0.215 342 K C 2.268 178.832 176.600 -0.060 0.000 1.053 342 K CA 2.661 58.904 56.287 -0.072 0.000 0.934 342 K CB -0.597 31.866 32.500 -0.063 0.000 0.717 342 K HN 0.712 nan 8.250 nan 0.000 0.450 343 T N -0.288 114.228 114.554 -0.064 0.000 2.849 343 T HA -0.142 4.210 4.350 0.003 0.000 0.270 343 T C 2.032 176.714 174.700 -0.030 0.000 1.066 343 T CA 1.169 63.243 62.100 -0.043 0.000 1.130 343 T CB -0.270 68.572 68.868 -0.044 0.000 0.864 343 T HN 0.205 nan 8.240 nan 0.000 0.481 344 L N 0.255 121.452 121.223 -0.044 0.000 2.027 344 L HA -0.018 4.325 4.340 0.003 0.000 0.206 344 L C 2.973 179.834 176.870 -0.014 0.000 1.074 344 L CA 0.902 55.730 54.840 -0.021 0.000 0.745 344 L CB -0.522 41.519 42.059 -0.030 0.000 0.898 344 L HN 0.166 nan 8.230 nan 0.000 0.433 345 V N 0.157 120.050 119.914 -0.035 0.000 2.332 345 V HA -0.310 3.812 4.120 0.003 0.000 0.248 345 V C 2.355 178.435 176.094 -0.024 0.000 1.055 345 V CA 1.954 64.231 62.300 -0.038 0.000 1.038 345 V CB -0.520 31.269 31.823 -0.057 0.000 0.651 345 V HN 0.497 nan 8.190 nan 0.000 0.450 346 E N 0.342 120.530 120.200 -0.019 0.000 2.051 346 E HA -0.209 4.143 4.350 0.003 0.000 0.192 346 E C 2.356 178.966 176.600 0.018 0.000 0.991 346 E CA 1.307 57.703 56.400 -0.007 0.000 0.799 346 E CB -0.421 29.275 29.700 -0.007 0.000 0.748 346 E HN 0.608 nan 8.360 nan 0.000 0.449 347 A N 1.797 124.633 122.820 0.027 0.000 1.873 347 A HA -0.229 4.093 4.320 0.003 0.000 0.218 347 A C 2.261 179.891 177.584 0.075 0.000 1.193 347 A CA 1.416 53.488 52.037 0.058 0.000 0.629 347 A CB -0.760 18.284 19.000 0.073 0.000 0.826 347 A HN 0.329 nan 8.150 nan 0.000 0.447 348 I N -0.577 120.027 120.570 0.058 0.000 2.286 348 I HA -0.227 3.945 4.170 0.003 0.000 0.248 348 I C 2.145 178.322 176.117 0.101 0.000 1.115 348 I CA 1.396 62.740 61.300 0.074 0.000 1.392 348 I CB -0.089 37.935 38.000 0.040 0.000 1.065 348 I HN 0.387 nan 8.210 nan 0.000 0.418 349 I N 0.404 121.004 120.570 0.050 0.000 2.286 349 I HA -0.287 3.885 4.170 0.003 0.000 0.245 349 I C 2.302 178.497 176.117 0.130 0.000 1.104 349 I CA 1.190 62.513 61.300 0.038 0.000 1.397 349 I CB -0.265 37.716 38.000 -0.031 0.000 1.072 349 I HN 0.221 nan 8.210 nan 0.000 0.417 350 L N -0.197 121.086 121.223 0.099 0.000 2.201 350 L HA -0.152 4.190 4.340 0.003 0.000 0.212 350 L C 2.527 179.480 176.870 0.139 0.000 1.105 350 L CA 0.613 55.518 54.840 0.108 0.000 0.775 350 L CB -0.444 41.659 42.059 0.074 0.000 0.913 350 L HN 0.130 nan 8.230 nan 0.000 0.440 351 V N -0.522 119.482 119.914 0.149 0.000 2.488 351 V HA -0.259 3.863 4.120 0.003 0.000 0.246 351 V C 2.203 178.400 176.094 0.171 0.000 1.046 351 V CA 1.395 63.779 62.300 0.140 0.000 1.053 351 V CB -0.085 31.814 31.823 0.126 0.000 0.679 351 V HN 0.405 nan 8.190 nan 0.000 0.458 352 F N 0.302 120.284 119.950 0.053 0.000 2.113 352 F HA -0.129 4.400 4.527 0.004 0.000 0.297 352 F C 1.928 177.784 175.800 0.093 0.000 1.103 352 F CA 1.916 59.957 58.000 0.068 0.000 1.248 352 F CB -0.288 38.744 39.000 0.053 0.000 0.999 352 F HN 0.091 nan 8.300 nan 0.000 0.475 353 L N -0.484 120.992 121.223 0.421 0.000 2.046 353 L HA -0.231 4.111 4.340 0.003 0.000 0.208 353 L C 2.424 179.394 176.870 0.167 0.000 1.077 353 L CA 1.177 56.187 54.840 0.283 0.000 0.747 353 L CB -0.912 41.278 42.059 0.218 0.000 0.896 353 L HN 0.046 nan 8.230 nan 0.000 0.432 354 V N -0.556 119.443 119.914 0.141 0.000 2.295 354 V HA -0.318 3.804 4.120 0.003 0.000 0.246 354 V C 2.608 178.784 176.094 0.137 0.000 1.049 354 V CA 1.571 63.956 62.300 0.142 0.000 1.024 354 V CB -0.429 31.460 31.823 0.110 0.000 0.648 354 V HN 0.378 nan 8.190 nan 0.000 0.447 355 M N -1.194 118.425 119.600 0.032 0.000 2.149 355 M HA -0.196 4.286 4.480 0.003 0.000 0.261 355 M C 2.193 178.471 176.300 -0.035 0.000 1.064 355 M CA 1.776 57.054 55.300 -0.037 0.000 1.102 355 M CB -1.329 31.204 32.600 -0.112 0.000 1.369 355 M HN 0.508 nan 8.290 nan 0.000 0.408 356 Y N 0.832 120.993 120.300 -0.233 0.000 2.314 356 Y HA -0.170 4.383 4.550 0.003 0.000 0.293 356 Y C 2.176 177.945 175.900 -0.219 0.000 1.129 356 Y CA 1.029 58.978 58.100 -0.251 0.000 1.201 356 Y CB -0.324 37.983 38.460 -0.256 0.000 0.999 356 Y HN 0.138 nan 8.280 nan 0.000 0.541 357 L N -0.900 120.265 121.223 -0.097 0.000 2.083 357 L HA -0.177 4.165 4.340 0.003 0.000 0.209 357 L C 1.461 177.910 176.870 -0.701 0.000 1.083 357 L CA 1.878 56.500 54.840 -0.363 0.000 0.752 357 L CB -0.810 41.084 42.059 -0.274 0.000 0.899 357 L HN 0.145 nan 8.230 nan 0.000 0.433 358 F N -0.928 118.759 119.950 -0.439 0.000 2.204 358 F HA 0.180 4.709 4.527 0.003 0.000 0.276 358 F C 1.077 176.625 175.800 -0.419 0.000 1.085 358 F CA -0.120 57.654 58.000 -0.377 0.000 1.160 358 F CB -0.698 38.144 39.000 -0.263 0.000 1.091 358 F HN -0.354 nan 8.300 nan 0.000 0.522 359 L N 2.462 123.626 121.223 -0.099 0.000 2.623 359 L HA -0.012 4.330 4.340 0.003 0.000 0.281 359 L C 0.661 177.318 176.870 -0.354 0.000 1.150 359 L CA 0.156 54.894 54.840 -0.170 0.000 0.965 359 L CB -0.046 41.957 42.059 -0.092 0.000 1.303 359 L HN 0.330 nan 8.230 nan 0.000 0.467 360 Q N 1.445 120.926 119.800 -0.532 0.000 2.466 360 Q HA -0.014 4.328 4.340 0.003 0.000 0.210 360 Q C 0.451 176.239 176.000 -0.353 0.000 0.961 360 Q CA 0.198 55.475 55.803 -0.878 0.000 0.953 360 Q CB -0.059 27.970 28.738 -1.182 0.000 1.011 360 Q HN 0.569 nan 8.270 nan 0.000 0.516 361 N N 0.240 118.870 118.700 -0.115 0.000 2.414 361 N HA 0.054 4.797 4.740 0.003 0.000 0.256 361 N C -0.536 175.161 175.510 0.310 0.000 1.029 361 N CA -0.251 52.859 53.050 0.101 0.000 0.948 361 N CB 0.364 38.889 38.487 0.064 0.000 1.102 361 N HN 0.243 nan 8.380 nan 0.000 0.496 362 F N 3.968 124.091 119.950 0.289 0.000 2.708 362 F HA -0.023 4.506 4.527 0.003 0.000 0.299 362 F C 1.579 177.489 175.800 0.184 0.000 1.289 362 F CA 0.167 58.373 58.000 0.343 0.000 1.444 362 F CB 0.100 39.292 39.000 0.321 0.000 1.086 362 F HN 0.659 nan 8.300 nan 0.000 0.528 363 R N -1.255 119.425 120.500 0.300 0.000 2.880 363 R HA 0.156 4.498 4.340 0.003 0.000 0.156 363 R C 1.865 178.239 176.300 0.124 0.000 0.884 363 R CA 0.843 57.037 56.100 0.156 0.000 1.623 363 R CB -0.579 29.780 30.300 0.099 0.000 1.687 363 R HN 0.090 nan 8.270 nan 0.000 0.538 364 A N 0.370 123.252 122.820 0.104 0.000 2.067 364 A HA -0.083 4.240 4.320 0.003 0.000 0.219 364 A C 1.902 179.503 177.584 0.028 0.000 1.158 364 A CA 1.854 53.922 52.037 0.053 0.000 0.661 364 A CB -0.636 18.380 19.000 0.027 0.000 0.801 364 A HN 0.378 nan 8.150 nan 0.000 0.452 365 T N -1.409 113.165 114.554 0.033 0.000 3.055 365 T HA 0.002 4.354 4.350 0.003 0.000 0.265 365 T C 1.344 176.017 174.700 -0.046 0.000 1.111 365 T CA 1.048 63.104 62.100 -0.073 0.000 1.118 365 T CB -0.358 68.406 68.868 -0.174 0.000 0.909 365 T HN 0.190 nan 8.240 nan 0.000 0.501 366 L N 0.579 121.853 121.223 0.084 0.000 2.599 366 L HA 0.455 4.797 4.340 0.003 0.000 0.230 366 L C 1.564 178.501 176.870 0.111 0.000 1.141 366 L CA 0.637 55.580 54.840 0.172 0.000 0.877 366 L CB -0.320 41.860 42.059 0.202 0.000 1.009 366 L HN 0.361 nan 8.230 nan 0.000 0.447 367 I N 0.525 121.126 120.570 0.053 0.000 2.364 367 I HA -0.032 4.141 4.170 0.003 0.000 0.241 367 I C -0.365 175.742 176.117 -0.017 0.000 1.082 367 I CA 0.679 61.984 61.300 0.009 0.000 1.401 367 I CB -1.195 36.801 38.000 -0.008 0.000 1.126 367 I HN 0.154 nan 8.210 nan 0.000 0.429 368 P HA -0.104 nan 4.420 nan 0.000 0.221 368 P C 1.457 178.759 177.300 0.003 0.000 1.150 368 P CA 1.495 64.578 63.100 -0.028 0.000 0.800 368 P CB -0.228 31.449 31.700 -0.039 0.000 0.787 369 T N 0.274 114.861 114.554 0.054 0.000 2.881 369 T HA -0.034 4.318 4.350 0.003 0.000 0.270 369 T C 1.876 176.621 174.700 0.075 0.000 1.068 369 T CA 0.893 63.067 62.100 0.122 0.000 1.131 369 T CB -0.481 68.562 68.868 0.291 0.000 0.871 369 T HN 0.132 nan 8.240 nan 0.000 0.479 370 I N 0.727 121.318 120.570 0.036 0.000 2.852 370 I HA 0.022 4.194 4.170 0.003 0.000 0.264 370 I C 2.793 178.869 176.117 -0.068 0.000 1.179 370 I CA 0.358 61.653 61.300 -0.010 0.000 1.480 370 I CB -0.331 37.646 38.000 -0.038 0.000 1.111 370 I HN 0.166 nan 8.210 nan 0.000 0.441 371 A N 0.874 123.646 122.820 -0.079 0.000 1.908 371 A HA -0.178 4.144 4.320 0.003 0.000 0.218 371 A C 2.399 179.936 177.584 -0.077 0.000 1.181 371 A CA 1.810 53.785 52.037 -0.103 0.000 0.627 371 A CB -0.947 17.996 19.000 -0.095 0.000 0.818 371 A HN 0.211 nan 8.150 nan 0.000 0.445 372 V N 1.295 121.182 119.914 -0.045 0.000 2.214 372 V HA -0.213 3.910 4.120 0.003 0.000 0.247 372 V C 0.139 176.215 176.094 -0.029 0.000 1.051 372 V CA 2.663 64.945 62.300 -0.031 0.000 1.003 372 V CB -1.739 30.083 31.823 -0.002 0.000 0.635 372 V HN 0.476 nan 8.190 nan 0.000 0.447 373 P HA -0.131 nan 4.420 nan 0.000 0.216 373 P C 1.860 179.137 177.300 -0.039 0.000 1.150 373 P CA 1.604 64.688 63.100 -0.027 0.000 0.843 373 P CB -0.138 31.546 31.700 -0.027 0.000 0.787 374 V N -0.061 119.817 119.914 -0.061 0.000 2.407 374 V HA -0.176 3.946 4.120 0.003 0.000 0.248 374 V C 2.829 178.879 176.094 -0.073 0.000 1.055 374 V CA 1.614 63.866 62.300 -0.080 0.000 1.049 374 V CB -0.936 30.809 31.823 -0.131 0.000 0.662 374 V HN -0.039 nan 8.190 nan 0.000 0.455 375 V N -0.915 118.955 119.914 -0.073 0.000 2.273 375 V HA -0.159 3.963 4.120 0.003 0.000 0.242 375 V C 2.335 178.407 176.094 -0.038 0.000 1.035 375 V CA 1.344 63.600 62.300 -0.073 0.000 1.013 375 V CB -0.546 31.224 31.823 -0.088 0.000 0.652 375 V HN 0.366 nan 8.190 nan 0.000 0.452 376 L N -0.371 120.847 121.223 -0.009 0.000 2.051 376 L HA -0.224 4.118 4.340 0.003 0.000 0.214 376 L C 2.265 179.267 176.870 0.220 0.000 1.076 376 L CA 1.923 56.805 54.840 0.070 0.000 0.758 376 L CB -0.853 41.261 42.059 0.092 0.000 0.890 376 L HN 0.242 nan 8.230 nan 0.000 0.433 377 L N -1.644 119.647 121.223 0.114 0.000 2.093 377 L HA -0.126 4.216 4.340 0.003 0.000 0.208 377 L C 2.379 179.309 176.870 0.101 0.000 1.085 377 L CA 1.219 56.111 54.840 0.087 0.000 0.755 377 L CB -1.029 41.005 42.059 -0.041 0.000 0.904 377 L HN 0.426 nan 8.230 nan 0.000 0.435 378 G N -1.116 107.700 108.800 0.026 0.000 2.448 378 G HA2 -0.176 3.786 3.960 0.003 0.000 0.218 378 G HA3 -0.176 3.786 3.960 0.003 0.000 0.218 378 G C 1.537 176.416 174.900 -0.035 0.000 1.135 378 G CA 0.991 46.079 45.100 -0.019 0.000 0.784 378 G HN 0.269 nan 8.290 nan 0.000 0.543 379 T N 1.108 115.643 114.554 -0.031 0.000 2.821 379 T HA -0.053 4.299 4.350 0.003 0.000 0.267 379 T C 1.980 176.581 174.700 -0.165 0.000 1.046 379 T CA 0.755 62.765 62.100 -0.150 0.000 1.139 379 T CB -0.309 68.428 68.868 -0.219 0.000 0.871 379 T HN 0.232 nan 8.240 nan 0.000 0.454 380 F N 1.812 121.682 119.950 -0.134 0.000 2.171 380 F HA 0.026 4.555 4.527 0.003 0.000 0.300 380 F C 2.627 178.366 175.800 -0.102 0.000 1.090 380 F CA 0.704 58.640 58.000 -0.107 0.000 1.293 380 F CB -0.810 38.141 39.000 -0.083 0.000 1.013 380 F HN 0.133 nan 8.300 nan 0.000 0.486 381 A N -0.046 122.823 122.820 0.081 0.000 1.877 381 A HA -0.132 4.190 4.320 0.003 0.000 0.216 381 A C 2.388 179.914 177.584 -0.096 0.000 1.186 381 A CA 1.921 53.957 52.037 -0.001 0.000 0.620 381 A CB -1.245 17.742 19.000 -0.022 0.000 0.822 381 A HN 0.152 nan 8.150 nan 0.000 0.443 382 V N 0.284 120.084 119.914 -0.190 0.000 2.287 382 V HA -0.307 3.816 4.120 0.003 0.000 0.248 382 V C 2.596 178.440 176.094 -0.415 0.000 1.053 382 V CA 2.116 64.175 62.300 -0.401 0.000 1.027 382 V CB -0.881 30.678 31.823 -0.441 0.000 0.646 382 V HN 0.579 nan 8.190 nan 0.000 0.447 383 L N -0.044 121.020 121.223 -0.265 0.000 2.043 383 L HA -0.242 4.100 4.340 0.003 0.000 0.212 383 L C 2.755 179.678 176.870 0.088 0.000 1.075 383 L CA 1.760 56.527 54.840 -0.122 0.000 0.752 383 L CB -0.871 41.102 42.059 -0.144 0.000 0.891 383 L HN 0.394 nan 8.230 nan 0.000 0.432 384 A N 0.046 122.891 122.820 0.042 0.000 1.883 384 A HA -0.223 4.099 4.320 0.003 0.000 0.217 384 A C 2.485 180.137 177.584 0.112 0.000 1.186 384 A CA 1.912 54.002 52.037 0.088 0.000 0.624 384 A CB -0.837 18.199 19.000 0.060 0.000 0.822 384 A HN 0.425 nan 8.150 nan 0.000 0.444 385 A N -1.771 121.076 122.820 0.046 0.000 2.125 385 A HA 0.063 4.385 4.320 0.003 0.000 0.219 385 A C 1.578 179.429 177.584 0.446 0.000 1.156 385 A CA 0.934 53.046 52.037 0.125 0.000 0.671 385 A CB -0.618 18.368 19.000 -0.024 0.000 0.794 385 A HN 0.588 nan 8.150 nan 0.000 0.459 386 F N -0.970 119.072 119.950 0.153 0.000 2.647 386 F HA 0.307 4.836 4.527 0.003 0.000 0.300 386 F C 1.715 177.657 175.800 0.237 0.000 1.106 386 F CA 0.029 58.172 58.000 0.238 0.000 1.313 386 F CB 0.363 39.580 39.000 0.361 0.000 1.007 386 F HN 0.394 nan 8.300 nan 0.000 0.536 387 G N 0.990 109.979 108.800 0.315 0.000 2.187 387 G HA2 -0.350 3.612 3.960 0.003 0.000 0.261 387 G HA3 -0.350 3.612 3.960 0.003 0.000 0.261 387 G C 0.067 175.003 174.900 0.061 0.000 1.000 387 G CA 0.024 45.203 45.100 0.131 0.000 0.718 387 G HN 0.264 nan 8.290 nan 0.000 0.519 388 F N 1.095 121.100 119.950 0.091 0.000 2.368 388 F HA 0.647 5.176 4.527 0.003 0.000 0.308 388 F C 1.179 177.002 175.800 0.039 0.000 1.198 388 F CA 0.075 58.109 58.000 0.058 0.000 1.130 388 F CB 1.246 40.267 39.000 0.036 0.000 1.300 388 F HN 0.333 nan 8.300 nan 0.000 0.537 389 S N -0.328 115.515 115.700 0.239 0.000 2.632 389 S HA 0.655 5.128 4.470 0.003 0.000 0.289 389 S C -0.862 173.809 174.600 0.119 0.000 1.115 389 S CA -0.950 57.337 58.200 0.145 0.000 0.889 389 S CB 1.220 64.481 63.200 0.102 0.000 1.116 389 S HN 0.418 nan 8.310 nan 0.000 0.486 390 I N 3.413 124.042 120.570 0.099 0.000 2.311 390 I HA 0.219 4.391 4.170 0.003 0.000 0.297 390 I C 0.093 176.247 176.117 0.061 0.000 1.131 390 I CA -0.268 61.080 61.300 0.080 0.000 1.289 390 I CB -1.005 37.086 38.000 0.151 0.000 1.446 390 I HN 0.745 nan 8.210 nan 0.000 0.524 391 N N 2.204 120.936 118.700 0.052 0.000 3.002 391 N HA 0.401 5.143 4.740 0.003 0.000 0.331 391 N C 0.621 176.170 175.510 0.065 0.000 1.384 391 N CA -0.813 52.273 53.050 0.060 0.000 0.780 391 N CB 0.291 38.848 38.487 0.117 0.000 1.492 391 N HN 0.105 nan 8.380 nan 0.000 0.608 392 T N 0.109 114.731 114.554 0.112 0.000 2.595 392 T HA -0.090 4.262 4.350 0.003 0.000 0.264 392 T C 1.604 176.540 174.700 0.395 0.000 1.058 392 T CA 1.659 63.906 62.100 0.246 0.000 1.166 392 T CB -0.579 68.500 68.868 0.352 0.000 0.863 392 T HN 0.326 nan 8.240 nan 0.000 0.415 393 L N 0.760 122.225 121.223 0.404 0.000 2.127 393 L HA -0.093 4.249 4.340 0.003 0.000 0.211 393 L C 2.849 179.657 176.870 -0.104 0.000 1.089 393 L CA 1.390 56.408 54.840 0.298 0.000 0.757 393 L CB -1.112 41.116 42.059 0.283 0.000 0.899 393 L HN 0.267 nan 8.230 nan 0.000 0.434 394 T N -1.124 113.386 114.554 -0.074 0.000 2.788 394 T HA -0.157 4.195 4.350 0.003 0.000 0.268 394 T C 1.959 176.494 174.700 -0.275 0.000 1.044 394 T CA 1.156 63.121 62.100 -0.226 0.000 1.139 394 T CB -0.072 68.709 68.868 -0.145 0.000 0.867 394 T HN 0.108 nan 8.240 nan 0.000 0.454 395 M N 0.141 119.643 119.600 -0.164 0.000 2.132 395 M HA 0.106 4.588 4.480 0.003 0.000 0.263 395 M C 1.868 178.015 176.300 -0.254 0.000 1.065 395 M CA 1.334 56.507 55.300 -0.212 0.000 1.122 395 M CB -1.278 31.178 32.600 -0.241 0.000 1.365 395 M HN 0.287 nan 8.290 nan 0.000 0.411 396 F N -0.021 119.895 119.950 -0.057 0.000 2.502 396 F HA -0.012 4.516 4.527 0.002 0.000 0.298 396 F C 2.375 178.111 175.800 -0.107 0.000 1.111 396 F CA 0.863 58.892 58.000 0.048 0.000 1.445 396 F CB -0.800 38.391 39.000 0.318 0.000 1.081 396 F HN 0.225 nan 8.300 nan 0.000 0.558 397 G N -0.129 108.440 108.800 -0.385 0.000 2.394 397 G HA2 -0.188 3.774 3.960 0.003 0.000 0.214 397 G HA3 -0.188 3.774 3.960 0.003 0.000 0.214 397 G C 1.699 176.458 174.900 -0.236 0.000 1.176 397 G CA 0.524 45.279 45.100 -0.576 0.000 0.786 397 G HN 0.022 nan 8.290 nan 0.000 0.533 398 M N 0.573 120.030 119.600 -0.237 0.000 2.073 398 M HA -0.080 4.402 4.480 0.003 0.000 0.258 398 M C 2.797 179.073 176.300 -0.040 0.000 1.070 398 M CA 0.945 56.153 55.300 -0.154 0.000 1.103 398 M CB -1.348 31.175 32.600 -0.128 0.000 1.321 398 M HN 0.113 nan 8.290 nan 0.000 0.405 399 V N 0.764 120.677 119.914 -0.002 0.000 2.233 399 V HA -0.279 3.843 4.120 0.003 0.000 0.247 399 V C 2.620 178.841 176.094 0.211 0.000 1.050 399 V CA 1.715 64.072 62.300 0.094 0.000 1.010 399 V CB -0.843 31.035 31.823 0.093 0.000 0.637 399 V HN 0.431 nan 8.190 nan 0.000 0.444 400 L N -0.041 121.343 121.223 0.269 0.000 2.127 400 L HA -0.198 4.144 4.340 0.003 0.000 0.211 400 L C 2.691 179.649 176.870 0.147 0.000 1.089 400 L CA 1.389 56.443 54.840 0.356 0.000 0.757 400 L CB -0.805 41.517 42.059 0.440 0.000 0.899 400 L HN 0.410 nan 8.230 nan 0.000 0.434 401 A N 0.482 123.319 122.820 0.028 0.000 1.902 401 A HA -0.203 4.119 4.320 0.003 0.000 0.217 401 A C 2.192 179.713 177.584 -0.105 0.000 1.181 401 A CA 1.389 53.375 52.037 -0.086 0.000 0.623 401 A CB -0.615 18.308 19.000 -0.127 0.000 0.818 401 A HN 0.347 nan 8.150 nan 0.000 0.443 402 I N -0.222 120.328 120.570 -0.034 0.000 2.181 402 I HA -0.344 3.829 4.170 0.003 0.000 0.247 402 I C 2.593 178.600 176.117 -0.184 0.000 1.081 402 I CA 1.221 62.502 61.300 -0.032 0.000 1.340 402 I CB -0.792 37.267 38.000 0.097 0.000 1.036 402 I HN 0.450 nan 8.210 nan 0.000 0.417 403 G N 1.346 109.849 108.800 -0.494 0.000 2.666 403 G HA2 -0.243 3.719 3.960 0.003 0.000 0.215 403 G HA3 -0.243 3.719 3.960 0.003 0.000 0.215 403 G C 1.518 176.079 174.900 -0.565 0.000 1.294 403 G CA 0.888 45.269 45.100 -1.199 0.000 0.811 403 G HN 0.322 nan 8.290 nan 0.000 0.594 404 L N 0.339 121.323 121.223 -0.399 0.000 2.081 404 L HA -0.093 4.249 4.340 0.003 0.000 0.212 404 L C 2.815 179.589 176.870 -0.160 0.000 1.080 404 L CA 0.955 55.675 54.840 -0.199 0.000 0.754 404 L CB -0.567 41.435 42.059 -0.096 0.000 0.893 404 L HN 0.264 nan 8.230 nan 0.000 0.433 405 L N -0.817 120.308 121.223 -0.164 0.000 2.093 405 L HA -0.129 4.213 4.340 0.003 0.000 0.208 405 L C 2.417 179.222 176.870 -0.109 0.000 1.085 405 L CA 0.969 55.736 54.840 -0.123 0.000 0.755 405 L CB 0.022 42.014 42.059 -0.111 0.000 0.904 405 L HN 0.074 nan 8.230 nan 0.000 0.435 406 V N -0.526 119.317 119.914 -0.118 0.000 3.041 406 V HA -0.201 3.921 4.120 0.003 0.000 0.260 406 V C 1.827 177.862 176.094 -0.099 0.000 1.105 406 V CA 1.928 64.176 62.300 -0.088 0.000 1.125 406 V CB -0.066 31.723 31.823 -0.058 0.000 0.730 406 V HN 0.609 nan 8.190 nan 0.000 0.479 407 D N -0.175 120.152 120.400 -0.122 0.000 2.123 407 D HA -0.164 4.478 4.640 0.003 0.000 0.200 407 D C 1.819 178.067 176.300 -0.088 0.000 0.976 407 D CA 1.413 55.347 54.000 -0.110 0.000 0.831 407 D CB -0.046 40.682 40.800 -0.120 0.000 0.974 407 D HN 0.442 nan 8.370 nan 0.000 0.469 408 D N -0.165 120.185 120.400 -0.083 0.000 2.123 408 D HA -0.150 4.492 4.640 0.003 0.000 0.196 408 D C 1.937 178.197 176.300 -0.066 0.000 0.992 408 D CA 1.281 55.241 54.000 -0.068 0.000 0.833 408 D CB -0.302 40.456 40.800 -0.069 0.000 0.954 408 D HN 0.304 nan 8.370 nan 0.000 0.455 409 A N 0.922 123.697 122.820 -0.074 0.000 1.855 409 A HA -0.134 4.188 4.320 0.003 0.000 0.215 409 A C 2.422 179.966 177.584 -0.067 0.000 1.191 409 A CA 0.877 52.871 52.037 -0.071 0.000 0.613 409 A CB -0.749 18.208 19.000 -0.072 0.000 0.829 409 A HN 0.172 nan 8.150 nan 0.000 0.442 410 I N -0.224 120.299 120.570 -0.078 0.000 2.118 410 I HA -0.274 3.898 4.170 0.003 0.000 0.241 410 I C 2.367 178.439 176.117 -0.074 0.000 1.070 410 I CA 1.533 62.780 61.300 -0.089 0.000 1.327 410 I CB -0.554 37.375 38.000 -0.118 0.000 1.034 410 I HN 0.157 nan 8.210 nan 0.000 0.405 411 V N 0.536 120.410 119.914 -0.067 0.000 2.380 411 V HA -0.266 3.856 4.120 0.003 0.000 0.251 411 V C 2.395 178.478 176.094 -0.019 0.000 1.063 411 V CA 1.720 63.993 62.300 -0.045 0.000 1.055 411 V CB -0.514 31.289 31.823 -0.034 0.000 0.657 411 V HN 0.267 nan 8.190 nan 0.000 0.455 412 V N -0.763 119.136 119.914 -0.025 0.000 2.283 412 V HA -0.178 3.945 4.120 0.003 0.000 0.243 412 V C 2.337 178.424 176.094 -0.012 0.000 1.039 412 V CA 1.788 64.080 62.300 -0.014 0.000 1.016 412 V CB -0.232 31.575 31.823 -0.027 0.000 0.650 412 V HN 0.382 nan 8.190 nan 0.000 0.449 413 V N 0.556 120.454 119.914 -0.026 0.000 2.244 413 V HA -0.265 3.858 4.120 0.003 0.000 0.244 413 V C 2.583 178.668 176.094 -0.016 0.000 1.042 413 V CA 2.358 64.645 62.300 -0.023 0.000 1.006 413 V CB -0.749 31.054 31.823 -0.034 0.000 0.641 413 V HN 0.745 nan 8.190 nan 0.000 0.446 414 E N 1.727 121.909 120.200 -0.030 0.000 2.048 414 E HA -0.339 4.013 4.350 0.003 0.000 0.202 414 E C 1.858 178.460 176.600 0.005 0.000 1.021 414 E CA 2.527 58.912 56.400 -0.025 0.000 0.825 414 E CB -0.897 28.769 29.700 -0.056 0.000 0.756 414 E HN 0.567 nan 8.360 nan 0.000 0.454 415 N N -0.788 117.922 118.700 0.017 0.000 2.258 415 N HA -0.137 4.606 4.740 0.003 0.000 0.187 415 N C 1.496 177.037 175.510 0.053 0.000 1.012 415 N CA 1.460 54.545 53.050 0.059 0.000 0.870 415 N CB -0.062 38.479 38.487 0.090 0.000 0.977 415 N HN 0.196 nan 8.380 nan 0.000 0.434 416 V N 0.339 120.272 119.914 0.032 0.000 2.535 416 V HA -0.051 4.071 4.120 0.003 0.000 0.246 416 V C 2.156 178.268 176.094 0.029 0.000 1.045 416 V CA 1.180 63.497 62.300 0.028 0.000 1.058 416 V CB -0.372 31.462 31.823 0.018 0.000 0.689 416 V HN 0.285 nan 8.190 nan 0.000 0.461 417 E N 0.677 120.892 120.200 0.025 0.000 2.051 417 E HA -0.246 4.106 4.350 0.003 0.000 0.192 417 E C 2.305 178.935 176.600 0.049 0.000 0.991 417 E CA 1.336 57.753 56.400 0.029 0.000 0.799 417 E CB -0.437 29.274 29.700 0.019 0.000 0.748 417 E HN 0.545 nan 8.360 nan 0.000 0.449 418 R N 1.074 121.607 120.500 0.056 0.000 2.303 418 R HA -0.094 4.248 4.340 0.003 0.000 0.225 418 R C 1.844 178.190 176.300 0.076 0.000 1.114 418 R CA 0.749 56.894 56.100 0.075 0.000 1.007 418 R CB 0.084 30.427 30.300 0.071 0.000 0.861 418 R HN 0.002 nan 8.270 nan 0.000 0.471 419 V N 0.883 120.832 119.914 0.059 0.000 2.341 419 V HA -0.127 3.995 4.120 0.003 0.000 0.240 419 V C 2.287 178.406 176.094 0.041 0.000 1.035 419 V CA 1.494 63.824 62.300 0.049 0.000 1.033 419 V CB -0.247 31.598 31.823 0.037 0.000 0.678 419 V HN 0.314 nan 8.190 nan 0.000 0.464 420 M N 0.120 119.740 119.600 0.033 0.000 2.435 420 M HA -0.137 4.345 4.480 0.003 0.000 0.262 420 M C 2.092 178.403 176.300 0.018 0.000 1.065 420 M CA 1.786 57.098 55.300 0.021 0.000 1.076 420 M CB -0.583 32.027 32.600 0.016 0.000 1.403 420 M HN 0.435 nan 8.290 nan 0.000 0.454 421 A N 0.552 123.399 122.820 0.045 0.000 1.887 421 A HA -0.058 4.265 4.320 0.003 0.000 0.212 421 A C 1.974 179.605 177.584 0.078 0.000 1.198 421 A CA 0.917 52.990 52.037 0.059 0.000 0.628 421 A CB -0.269 18.837 19.000 0.176 0.000 0.847 421 A HN 0.461 nan 8.150 nan 0.000 0.449 422 E N -0.176 120.083 120.200 0.098 0.000 2.051 422 E HA -0.118 4.234 4.350 0.003 0.000 0.189 422 E C 1.812 178.442 176.600 0.050 0.000 0.979 422 E CA 1.268 57.722 56.400 0.090 0.000 0.803 422 E CB -0.093 29.658 29.700 0.084 0.000 0.761 422 E HN 0.692 nan 8.360 nan 0.000 0.451 423 E N -0.519 119.704 120.200 0.037 0.000 2.251 423 E HA 0.082 4.434 4.350 0.003 0.000 0.194 423 E C 0.727 177.335 176.600 0.013 0.000 0.964 423 E CA 0.397 56.811 56.400 0.023 0.000 0.868 423 E CB 0.754 30.466 29.700 0.021 0.000 0.828 423 E HN 0.287 nan 8.360 nan 0.000 0.481 424 G N 1.891 110.697 108.800 0.010 0.000 2.248 424 G HA2 -0.211 3.751 3.960 0.003 0.000 0.263 424 G HA3 -0.211 3.751 3.960 0.003 0.000 0.263 424 G C -0.278 174.623 174.900 0.003 0.000 1.082 424 G CA -0.097 45.002 45.100 -0.001 0.000 0.863 424 G HN -0.038 nan 8.290 nan 0.000 0.495 425 L N -0.302 120.926 121.223 0.008 0.000 2.400 425 L HA 0.733 5.075 4.340 0.003 0.000 0.264 425 L C -1.577 175.298 176.870 0.009 0.000 1.061 425 L CA -2.221 52.624 54.840 0.008 0.000 0.799 425 L CB 0.589 42.655 42.059 0.011 0.000 1.240 425 L HN -0.047 nan 8.230 nan 0.000 0.461 426 P HA 0.259 nan 4.420 nan 0.000 0.276 426 P C -2.147 175.161 177.300 0.013 0.000 1.261 426 P CA -1.114 61.992 63.100 0.010 0.000 0.800 426 P CB 0.190 31.896 31.700 0.010 0.000 1.066 427 P HA -0.242 nan 4.420 nan 0.000 0.205 427 P C 1.445 178.756 177.300 0.018 0.000 1.164 427 P CA 1.726 64.837 63.100 0.018 0.000 0.938 427 P CB -0.165 31.548 31.700 0.021 0.000 0.777 428 K N -0.400 120.012 120.400 0.019 0.000 2.189 428 K HA -0.293 4.029 4.320 0.003 0.000 0.207 428 K C 2.013 178.623 176.600 0.016 0.000 1.046 428 K CA 2.015 58.313 56.287 0.018 0.000 0.928 428 K CB -0.224 32.285 32.500 0.016 0.000 0.720 428 K HN -0.017 nan 8.250 nan 0.000 0.458 429 E N -0.074 120.134 120.200 0.014 0.000 2.140 429 E HA 0.041 4.393 4.350 0.003 0.000 0.191 429 E C 1.600 178.208 176.600 0.014 0.000 0.973 429 E CA 1.115 57.522 56.400 0.013 0.000 0.829 429 E CB -0.147 29.559 29.700 0.011 0.000 0.781 429 E HN 0.345 nan 8.360 nan 0.000 0.466 430 A N 0.087 122.916 122.820 0.015 0.000 1.851 430 A HA -0.210 4.112 4.320 0.003 0.000 0.216 430 A C 2.541 180.136 177.584 0.018 0.000 1.195 430 A CA 2.638 54.685 52.037 0.017 0.000 0.622 430 A CB -1.622 17.389 19.000 0.018 0.000 0.831 430 A HN 0.418 nan 8.150 nan 0.000 0.444 431 T N -0.909 113.657 114.554 0.019 0.000 2.737 431 T HA -0.235 4.117 4.350 0.003 0.000 0.269 431 T C 2.000 176.712 174.700 0.021 0.000 1.040 431 T CA 1.926 64.038 62.100 0.020 0.000 1.142 431 T CB -0.423 68.457 68.868 0.020 0.000 0.861 431 T HN 0.548 nan 8.240 nan 0.000 0.456 432 R N 0.243 120.755 120.500 0.021 0.000 2.094 432 R HA -0.056 4.286 4.340 0.003 0.000 0.239 432 R C 2.725 179.034 176.300 0.016 0.000 1.137 432 R CA 1.571 57.684 56.100 0.021 0.000 0.943 432 R CB -0.144 30.168 30.300 0.018 0.000 0.850 432 R HN 0.321 nan 8.270 nan 0.000 0.433 433 K N 0.015 120.422 120.400 0.012 0.000 2.116 433 K HA 0.009 4.331 4.320 0.003 0.000 0.203 433 K C 2.155 178.757 176.600 0.003 0.000 1.052 433 K CA 0.746 57.035 56.287 0.004 0.000 0.952 433 K CB -0.352 32.149 32.500 0.002 0.000 0.729 433 K HN 0.021 nan 8.250 nan 0.000 0.446 434 S N 0.850 116.557 115.700 0.011 0.000 2.359 434 S HA -0.127 4.345 4.470 0.003 0.000 0.224 434 S C 1.967 176.576 174.600 0.015 0.000 1.035 434 S CA 1.122 59.333 58.200 0.017 0.000 1.018 434 S CB -0.007 63.209 63.200 0.026 0.000 0.876 434 S HN 0.096 nan 8.310 nan 0.000 0.448 435 M N 0.953 120.563 119.600 0.016 0.000 2.080 435 M HA -0.018 4.464 4.480 0.003 0.000 0.260 435 M C 2.471 178.777 176.300 0.010 0.000 1.068 435 M CA 1.666 56.976 55.300 0.017 0.000 1.109 435 M CB -2.207 30.409 32.600 0.027 0.000 1.342 435 M HN 0.493 nan 8.290 nan 0.000 0.405 436 G N -0.717 108.086 108.800 0.006 0.000 2.479 436 G HA2 -0.245 3.717 3.960 0.003 0.000 0.220 436 G HA3 -0.245 3.717 3.960 0.003 0.000 0.220 436 G C 1.539 176.426 174.900 -0.021 0.000 1.115 436 G CA 0.705 45.803 45.100 -0.004 0.000 0.757 436 G HN 0.549 nan 8.290 nan 0.000 0.560 437 Q N 0.166 119.949 119.800 -0.028 0.000 2.259 437 Q HA 0.073 4.416 4.340 0.003 0.000 0.201 437 Q C 2.467 178.436 176.000 -0.052 0.000 0.938 437 Q CA 0.900 56.666 55.803 -0.061 0.000 0.872 437 Q CB 0.014 28.698 28.738 -0.089 0.000 0.971 437 Q HN 0.701 nan 8.270 nan 0.000 0.494 438 I N -2.622 117.943 120.570 -0.009 0.000 3.941 438 I HA 0.089 4.261 4.170 0.003 0.000 0.321 438 I C 2.205 178.329 176.117 0.012 0.000 1.284 438 I CA -0.073 61.241 61.300 0.022 0.000 1.226 438 I CB -0.169 37.869 38.000 0.063 0.000 1.045 438 I HN 0.056 nan 8.210 nan 0.000 0.420 439 Q N 2.428 122.230 119.800 0.003 0.000 1.935 439 Q HA -0.201 4.141 4.340 0.003 0.000 0.212 439 Q C 2.304 178.299 176.000 -0.007 0.000 1.008 439 Q CA 2.944 58.748 55.803 0.001 0.000 0.868 439 Q CB -0.591 28.150 28.738 0.005 0.000 0.946 439 Q HN 0.606 nan 8.270 nan 0.000 0.418 440 G N 0.058 108.849 108.800 -0.015 0.000 2.596 440 G HA2 -0.358 3.604 3.960 0.003 0.000 0.223 440 G HA3 -0.358 3.604 3.960 0.003 0.000 0.223 440 G C 1.388 176.271 174.900 -0.029 0.000 1.120 440 G CA 1.524 46.609 45.100 -0.025 0.000 0.752 440 G HN 0.578 nan 8.290 nan 0.000 0.596 441 A N 0.608 123.417 122.820 -0.017 0.000 1.845 441 A HA 0.092 4.414 4.320 0.003 0.000 0.215 441 A C 2.478 180.055 177.584 -0.012 0.000 1.195 441 A CA 1.455 53.486 52.037 -0.010 0.000 0.616 441 A CB -0.593 18.427 19.000 0.033 0.000 0.832 441 A HN 0.353 nan 8.150 nan 0.000 0.443 442 L N -0.264 120.957 121.223 -0.002 0.000 1.997 442 L HA -0.250 4.092 4.340 0.003 0.000 0.216 442 L C 2.519 179.378 176.870 -0.019 0.000 1.074 442 L CA 1.644 56.478 54.840 -0.009 0.000 0.763 442 L CB -0.748 41.305 42.059 -0.010 0.000 0.890 442 L HN 0.274 nan 8.230 nan 0.000 0.434 443 V N -0.020 119.882 119.914 -0.020 0.000 2.490 443 V HA -0.201 3.921 4.120 0.003 0.000 0.250 443 V C 2.521 178.596 176.094 -0.032 0.000 1.061 443 V CA 1.867 64.153 62.300 -0.023 0.000 1.064 443 V CB -1.187 30.623 31.823 -0.021 0.000 0.670 443 V HN 0.602 nan 8.190 nan 0.000 0.461 444 G N -0.099 108.675 108.800 -0.043 0.000 2.394 444 G HA2 -0.158 3.805 3.960 0.003 0.000 0.215 444 G HA3 -0.158 3.805 3.960 0.003 0.000 0.215 444 G C 1.453 176.316 174.900 -0.061 0.000 1.165 444 G CA 0.690 45.749 45.100 -0.067 0.000 0.784 444 G HN 0.423 nan 8.290 nan 0.000 0.535 445 I N 2.131 122.675 120.570 -0.042 0.000 2.179 445 I HA -0.053 4.119 4.170 0.003 0.000 0.242 445 I C 3.204 179.317 176.117 -0.007 0.000 1.088 445 I CA 0.819 62.103 61.300 -0.027 0.000 1.357 445 I CB -0.741 37.251 38.000 -0.013 0.000 1.051 445 I HN 0.215 nan 8.210 nan 0.000 0.409 446 A N 0.256 123.073 122.820 -0.005 0.000 1.929 446 A HA -0.331 3.991 4.320 0.003 0.000 0.221 446 A C 2.348 179.950 177.584 0.030 0.000 1.211 446 A CA 2.749 54.791 52.037 0.010 0.000 0.657 446 A CB -0.757 18.240 19.000 -0.005 0.000 0.827 446 A HN 0.473 nan 8.150 nan 0.000 0.462 447 M N -0.517 119.090 119.600 0.011 0.000 2.248 447 M HA -0.030 4.452 4.480 0.003 0.000 0.265 447 M C 1.990 178.300 176.300 0.017 0.000 1.079 447 M CA 1.312 56.624 55.300 0.020 0.000 1.150 447 M CB -0.428 32.171 32.600 -0.001 0.000 1.366 447 M HN 0.401 nan 8.290 nan 0.000 0.433 448 V N -1.348 118.558 119.914 -0.014 0.000 3.330 448 V HA -0.120 4.002 4.120 0.003 0.000 0.273 448 V C 1.638 177.728 176.094 -0.007 0.000 1.179 448 V CA 1.224 63.507 62.300 -0.028 0.000 1.174 448 V CB -0.790 30.997 31.823 -0.059 0.000 0.794 448 V HN 0.360 nan 8.190 nan 0.000 0.527 449 L N 0.936 122.182 121.223 0.038 0.000 2.547 449 L HA 0.251 4.593 4.340 0.003 0.000 0.218 449 L C 2.575 179.558 176.870 0.188 0.000 1.048 449 L CA 1.643 56.532 54.840 0.081 0.000 0.859 449 L CB -0.108 42.046 42.059 0.158 0.000 1.128 449 L HN 0.501 nan 8.230 nan 0.000 0.483 450 S N -0.431 115.388 115.700 0.198 0.000 2.595 450 S HA -0.055 4.417 4.470 0.003 0.000 0.235 450 S C 1.973 176.671 174.600 0.164 0.000 0.974 450 S CA 0.670 59.012 58.200 0.237 0.000 0.942 450 S CB -0.457 62.830 63.200 0.144 0.000 0.766 450 S HN 0.301 nan 8.310 nan 0.000 0.536 451 A N 2.067 124.936 122.820 0.083 0.000 1.841 451 A HA -0.021 4.301 4.320 0.003 0.000 0.216 451 A C 2.211 179.804 177.584 0.015 0.000 1.199 451 A CA 2.076 54.132 52.037 0.032 0.000 0.621 451 A CB -1.083 17.908 19.000 -0.014 0.000 0.835 451 A HN 1.066 nan 8.150 nan 0.000 0.445 452 V N -4.180 115.676 119.914 -0.097 0.000 3.542 452 V HA 0.273 4.396 4.120 0.003 0.000 0.296 452 V C 1.592 177.571 176.094 -0.192 0.000 1.364 452 V CA 0.284 62.480 62.300 -0.174 0.000 1.118 452 V CB -1.032 30.598 31.823 -0.323 0.000 0.972 452 V HN 0.435 nan 8.190 nan 0.000 0.430 453 F N -0.237 119.761 119.950 0.081 0.000 2.505 453 F HA 0.144 4.673 4.527 0.003 0.000 0.289 453 F C 2.177 178.062 175.800 0.140 0.000 1.101 453 F CA 0.671 58.736 58.000 0.109 0.000 1.446 453 F CB 0.484 39.535 39.000 0.084 0.000 1.123 453 F HN -0.025 nan 8.300 nan 0.000 0.564 454 V N 0.765 120.863 119.914 0.306 0.000 2.407 454 V HA -0.124 3.998 4.120 0.003 0.000 0.245 454 V C -0.735 175.527 176.094 0.281 0.000 1.041 454 V CA 1.523 63.972 62.300 0.248 0.000 1.040 454 V CB -1.532 30.433 31.823 0.237 0.000 0.671 454 V HN 0.120 nan 8.190 nan 0.000 0.455 455 P HA -0.209 nan 4.420 nan 0.000 0.217 455 P C 1.826 179.313 177.300 0.312 0.000 1.148 455 P CA 1.540 64.833 63.100 0.322 0.000 0.828 455 P CB -0.132 31.722 31.700 0.258 0.000 0.783 456 M N -1.370 118.466 119.600 0.393 0.000 2.557 456 M HA -0.013 4.469 4.480 0.003 0.000 0.259 456 M C 1.562 178.134 176.300 0.453 0.000 1.086 456 M CA 1.192 56.804 55.300 0.520 0.000 1.096 456 M CB -0.124 32.785 32.600 0.516 0.000 1.424 456 M HN -0.118 nan 8.290 nan 0.000 0.488 457 A N -0.346 122.603 122.820 0.215 0.000 2.021 457 A HA 0.033 4.355 4.320 0.003 0.000 0.216 457 A C 0.931 178.461 177.584 -0.091 0.000 1.163 457 A CA 0.527 52.572 52.037 0.013 0.000 0.676 457 A CB -0.520 18.333 19.000 -0.246 0.000 0.818 457 A HN 0.553 nan 8.150 nan 0.000 0.453 458 F N -0.652 119.405 119.950 0.178 0.000 2.701 458 F HA 0.357 4.886 4.527 0.004 0.000 0.295 458 F C 0.215 176.032 175.800 0.028 0.000 1.165 458 F CA -1.015 57.036 58.000 0.085 0.000 1.399 458 F CB -0.738 38.268 39.000 0.010 0.000 0.996 458 F HN 0.031 nan 8.300 nan 0.000 0.513 459 F N 0.188 120.219 119.950 0.134 0.000 2.440 459 F HA 0.434 4.963 4.527 0.004 0.000 0.323 459 F C 1.388 177.254 175.800 0.110 0.000 1.192 459 F CA -0.271 57.771 58.000 0.070 0.000 1.252 459 F CB 0.401 39.424 39.000 0.039 0.000 1.214 459 F HN -0.008 nan 8.300 nan 0.000 0.578 460 G N 0.768 109.737 108.800 0.281 0.000 2.377 460 G HA2 0.467 4.430 3.960 0.003 0.000 0.299 460 G HA3 0.467 4.430 3.960 0.003 0.000 0.299 460 G C 0.198 175.217 174.900 0.198 0.000 1.150 460 G CA -0.025 45.190 45.100 0.193 0.000 0.847 460 G HN 1.080 nan 8.290 nan 0.000 0.501 461 G N 1.535 110.424 108.800 0.148 0.000 2.574 461 G HA2 -0.267 3.695 3.960 0.003 0.000 0.295 461 G HA3 -0.267 3.695 3.960 0.003 0.000 0.295 461 G C 1.595 176.571 174.900 0.128 0.000 1.300 461 G CA 0.706 45.880 45.100 0.123 0.000 0.944 461 G HN 1.311 nan 8.290 nan 0.000 0.551 462 S N -0.791 114.962 115.700 0.089 0.000 2.434 462 S HA -0.267 4.205 4.470 0.003 0.000 0.240 462 S C 2.501 177.153 174.600 0.087 0.000 1.052 462 S CA 3.110 61.345 58.200 0.058 0.000 1.198 462 S CB -1.190 62.006 63.200 -0.006 0.000 1.124 462 S HN 1.078 nan 8.310 nan 0.000 0.426 463 T N 1.583 116.178 114.554 0.069 0.000 2.718 463 T HA -0.217 4.135 4.350 0.003 0.000 0.266 463 T C 1.879 176.788 174.700 0.348 0.000 1.033 463 T CA 1.574 63.806 62.100 0.219 0.000 1.151 463 T CB -1.154 67.890 68.868 0.294 0.000 0.853 463 T HN 0.616 nan 8.240 nan 0.000 0.466 464 G N 1.046 110.043 108.800 0.328 0.000 2.459 464 G HA2 -0.111 3.851 3.960 0.003 0.000 0.217 464 G HA3 -0.111 3.851 3.960 0.003 0.000 0.217 464 G C 1.852 176.925 174.900 0.288 0.000 1.183 464 G CA 1.071 46.396 45.100 0.375 0.000 0.776 464 G HN 0.638 nan 8.290 nan 0.000 0.552 465 A N 0.264 123.203 122.820 0.198 0.000 1.986 465 A HA -0.065 4.257 4.320 0.003 0.000 0.220 465 A C 2.344 180.027 177.584 0.165 0.000 1.171 465 A CA 1.705 53.838 52.037 0.159 0.000 0.640 465 A CB -0.332 18.735 19.000 0.112 0.000 0.811 465 A HN 0.329 nan 8.150 nan 0.000 0.451 466 I N -1.926 118.718 120.570 0.122 0.000 2.163 466 I HA -0.174 3.998 4.170 0.003 0.000 0.240 466 I C 2.257 178.379 176.117 0.008 0.000 1.081 466 I CA 1.333 62.639 61.300 0.009 0.000 1.353 466 I CB -0.752 37.149 38.000 -0.165 0.000 1.054 466 I HN 0.422 nan 8.210 nan 0.000 0.407 467 Y N 0.072 120.407 120.300 0.058 0.000 2.224 467 Y HA -0.186 4.367 4.550 0.004 0.000 0.289 467 Y C 2.746 178.766 175.900 0.199 0.000 1.146 467 Y CA 1.408 59.545 58.100 0.062 0.000 1.182 467 Y CB -0.586 37.805 38.460 -0.115 0.000 0.983 467 Y HN 0.064 nan 8.280 nan 0.000 0.524 468 R N 0.184 120.890 120.500 0.344 0.000 2.091 468 R HA -0.199 4.144 4.340 0.003 0.000 0.238 468 R C 2.099 178.586 176.300 0.312 0.000 1.136 468 R CA 1.500 57.773 56.100 0.287 0.000 0.959 468 R CB -0.066 30.381 30.300 0.246 0.000 0.856 468 R HN 0.287 nan 8.270 nan 0.000 0.437 469 Q N -0.647 119.350 119.800 0.328 0.000 2.234 469 Q HA -0.200 4.142 4.340 0.003 0.000 0.206 469 Q C 1.815 177.862 176.000 0.079 0.000 0.980 469 Q CA 1.433 57.409 55.803 0.288 0.000 0.869 469 Q CB -0.214 28.675 28.738 0.251 0.000 0.912 469 Q HN 0.373 nan 8.270 nan 0.000 0.436 470 F N 0.681 120.679 119.950 0.080 0.000 2.179 470 F HA -0.107 4.422 4.527 0.003 0.000 0.292 470 F C 2.470 178.275 175.800 0.008 0.000 1.089 470 F CA 0.936 58.965 58.000 0.049 0.000 1.295 470 F CB 0.068 39.130 39.000 0.104 0.000 1.041 470 F HN -0.047 nan 8.300 nan 0.000 0.487 471 S N 0.826 116.703 115.700 0.295 0.000 2.353 471 S HA -0.207 4.265 4.470 0.003 0.000 0.222 471 S C 2.009 176.604 174.600 -0.008 0.000 1.035 471 S CA 1.511 59.826 58.200 0.191 0.000 1.025 471 S CB -0.495 62.831 63.200 0.210 0.000 0.902 471 S HN 0.184 nan 8.310 nan 0.000 0.440 472 I N 2.311 122.838 120.570 -0.072 0.000 2.163 472 I HA -0.172 4.000 4.170 0.003 0.000 0.243 472 I C 3.007 178.934 176.117 -0.317 0.000 1.085 472 I CA 2.116 63.292 61.300 -0.206 0.000 1.347 472 I CB -2.400 35.349 38.000 -0.418 0.000 1.044 472 I HN 0.493 nan 8.210 nan 0.000 0.408 473 T N -0.079 114.235 114.554 -0.400 0.000 2.777 473 T HA -0.093 4.260 4.350 0.003 0.000 0.266 473 T C 2.037 176.524 174.700 -0.356 0.000 1.040 473 T CA 1.122 62.970 62.100 -0.420 0.000 1.141 473 T CB -0.536 68.049 68.868 -0.472 0.000 0.868 473 T HN 0.267 nan 8.240 nan 0.000 0.444 474 I N 0.923 121.280 120.570 -0.355 0.000 2.163 474 I HA -0.110 4.063 4.170 0.003 0.000 0.240 474 I C 2.791 178.658 176.117 -0.417 0.000 1.081 474 I CA 1.057 62.088 61.300 -0.448 0.000 1.353 474 I CB -0.498 37.074 38.000 -0.713 0.000 1.054 474 I HN 0.156 nan 8.210 nan 0.000 0.407 475 V N 0.387 120.107 119.914 -0.322 0.000 2.332 475 V HA -0.289 3.833 4.120 0.003 0.000 0.248 475 V C 2.562 178.571 176.094 -0.142 0.000 1.055 475 V CA 2.204 64.403 62.300 -0.168 0.000 1.038 475 V CB -0.682 31.117 31.823 -0.040 0.000 0.651 475 V HN 0.377 nan 8.190 nan 0.000 0.450 476 S N 0.093 115.692 115.700 -0.169 0.000 2.383 476 S HA -0.206 4.266 4.470 0.003 0.000 0.229 476 S C 2.226 176.720 174.600 -0.176 0.000 1.030 476 S CA 1.452 59.548 58.200 -0.173 0.000 1.002 476 S CB -0.533 62.519 63.200 -0.248 0.000 0.829 476 S HN 0.673 nan 8.310 nan 0.000 0.467 477 A N 1.668 124.364 122.820 -0.207 0.000 1.883 477 A HA -0.113 4.209 4.320 0.003 0.000 0.217 477 A C 2.169 179.665 177.584 -0.148 0.000 1.186 477 A CA 1.630 53.556 52.037 -0.185 0.000 0.624 477 A CB -0.629 18.242 19.000 -0.214 0.000 0.822 477 A HN 0.477 nan 8.150 nan 0.000 0.444 478 M N -0.661 118.851 119.600 -0.146 0.000 2.067 478 M HA -0.136 4.347 4.480 0.003 0.000 0.260 478 M C 2.629 178.882 176.300 -0.078 0.000 1.069 478 M CA 1.422 56.663 55.300 -0.099 0.000 1.117 478 M CB -0.626 31.933 32.600 -0.068 0.000 1.334 478 M HN 0.481 nan 8.290 nan 0.000 0.407 479 A N 0.947 123.723 122.820 -0.074 0.000 1.869 479 A HA -0.207 4.115 4.320 0.003 0.000 0.218 479 A C 2.118 179.659 177.584 -0.072 0.000 1.203 479 A CA 1.829 53.831 52.037 -0.058 0.000 0.638 479 A CB -1.244 17.725 19.000 -0.051 0.000 0.831 479 A HN 0.483 nan 8.150 nan 0.000 0.450 480 L N -0.596 120.571 121.223 -0.093 0.000 2.191 480 L HA -0.153 4.189 4.340 0.003 0.000 0.212 480 L C 2.901 179.710 176.870 -0.102 0.000 1.103 480 L CA 1.269 56.050 54.840 -0.100 0.000 0.769 480 L CB -0.343 41.649 42.059 -0.111 0.000 0.908 480 L HN 0.558 nan 8.230 nan 0.000 0.438 481 S N -0.402 115.239 115.700 -0.098 0.000 2.338 481 S HA -0.157 4.315 4.470 0.003 0.000 0.218 481 S C 2.018 176.566 174.600 -0.087 0.000 1.032 481 S CA 1.336 59.478 58.200 -0.096 0.000 0.999 481 S CB -0.142 63.004 63.200 -0.091 0.000 0.905 481 S HN 0.158 nan 8.310 nan 0.000 0.439 482 V N 2.247 122.119 119.914 -0.070 0.000 2.250 482 V HA -0.198 3.924 4.120 0.003 0.000 0.250 482 V C 2.483 178.539 176.094 -0.064 0.000 1.060 482 V CA 2.127 64.393 62.300 -0.056 0.000 1.030 482 V CB -0.796 31.003 31.823 -0.040 0.000 0.643 482 V HN 0.502 nan 8.190 nan 0.000 0.445 483 L N -0.184 120.996 121.223 -0.072 0.000 1.997 483 L HA -0.195 4.147 4.340 0.003 0.000 0.216 483 L C 2.389 179.180 176.870 -0.131 0.000 1.074 483 L CA 2.082 56.871 54.840 -0.085 0.000 0.763 483 L CB -0.656 41.349 42.059 -0.089 0.000 0.890 483 L HN 0.148 nan 8.230 nan 0.000 0.434 484 V N -0.159 119.665 119.914 -0.150 0.000 2.332 484 V HA -0.309 3.813 4.120 0.003 0.000 0.248 484 V C 2.686 178.674 176.094 -0.175 0.000 1.055 484 V CA 1.670 63.853 62.300 -0.195 0.000 1.038 484 V CB -1.224 30.491 31.823 -0.180 0.000 0.651 484 V HN 0.632 nan 8.190 nan 0.000 0.450 485 A N -0.960 121.787 122.820 -0.122 0.000 2.125 485 A HA -0.051 4.271 4.320 0.003 0.000 0.219 485 A C 1.713 179.256 177.584 -0.068 0.000 1.156 485 A CA 1.358 53.340 52.037 -0.092 0.000 0.671 485 A CB -0.259 18.701 19.000 -0.067 0.000 0.794 485 A HN 0.476 nan 8.150 nan 0.000 0.459 486 L N -1.536 119.647 121.223 -0.068 0.000 2.959 486 L HA 0.425 4.767 4.340 0.003 0.000 0.259 486 L C 1.080 177.950 176.870 -0.001 0.000 1.185 486 L CA 0.520 55.356 54.840 -0.007 0.000 0.998 486 L CB 0.244 42.316 42.059 0.021 0.000 1.337 486 L HN 0.352 nan 8.230 nan 0.000 0.555 487 I N -2.802 117.658 120.570 -0.184 0.000 3.626 487 I HA 0.030 4.202 4.170 0.003 0.000 0.256 487 I C 1.484 177.292 176.117 -0.515 0.000 1.105 487 I CA 0.039 61.018 61.300 -0.535 0.000 1.656 487 I CB 0.183 37.675 38.000 -0.848 0.000 1.672 487 I HN 0.040 nan 8.210 nan 0.000 0.421 488 L N 0.933 121.875 121.223 -0.469 0.000 2.049 488 L HA -0.023 4.319 4.340 0.003 0.000 0.203 488 L C 2.342 179.023 176.870 -0.315 0.000 1.074 488 L CA 2.265 56.835 54.840 -0.449 0.000 0.749 488 L CB -0.700 41.065 42.059 -0.489 0.000 0.907 488 L HN 0.175 nan 8.230 nan 0.000 0.439 489 T N 0.743 115.155 114.554 -0.236 0.000 2.665 489 T HA -0.134 4.218 4.350 0.003 0.000 0.268 489 T C -0.513 174.128 174.700 -0.099 0.000 1.035 489 T CA 2.261 64.267 62.100 -0.157 0.000 1.151 489 T CB -1.160 67.636 68.868 -0.119 0.000 0.862 489 T HN 0.321 nan 8.240 nan 0.000 0.438 490 P HA 0.053 nan 4.420 nan 0.000 0.216 490 P C 1.447 178.745 177.300 -0.004 0.000 1.153 490 P CA 1.154 64.246 63.100 -0.014 0.000 0.848 490 P CB -0.206 31.510 31.700 0.027 0.000 0.787 491 A N -1.384 121.425 122.820 -0.019 0.000 2.125 491 A HA -0.140 4.182 4.320 0.003 0.000 0.219 491 A C 1.847 179.439 177.584 0.013 0.000 1.156 491 A CA 1.448 53.490 52.037 0.009 0.000 0.671 491 A CB -1.349 17.641 19.000 -0.017 0.000 0.794 491 A HN 0.106 nan 8.150 nan 0.000 0.459 492 L N -1.933 119.270 121.223 -0.032 0.000 2.354 492 L HA 0.069 4.411 4.340 0.003 0.000 0.212 492 L C 2.101 178.987 176.870 0.027 0.000 1.091 492 L CA 0.998 55.845 54.840 0.013 0.000 0.828 492 L CB -0.523 41.508 42.059 -0.047 0.000 0.973 492 L HN 0.409 nan 8.230 nan 0.000 0.461 493 C N -0.450 118.853 119.300 0.006 0.000 2.522 493 C HA 0.197 4.659 4.460 0.003 0.000 0.271 493 C C 2.244 177.249 174.990 0.024 0.000 1.425 493 C CA 0.574 59.600 59.018 0.013 0.000 1.751 493 C CB -1.387 26.355 27.740 0.003 0.000 1.775 493 C HN 0.501 nan 8.230 nan 0.000 0.557 494 A N 0.008 122.847 122.820 0.032 0.000 2.431 494 A HA 0.235 4.557 4.320 0.003 0.000 0.239 494 A C 1.634 179.246 177.584 0.045 0.000 1.230 494 A CA 1.045 53.103 52.037 0.035 0.000 0.928 494 A CB -0.205 18.816 19.000 0.035 0.000 1.006 494 A HN 0.564 nan 8.150 nan 0.000 0.520 495 T N -5.733 108.856 114.554 0.059 0.000 3.123 495 T HA 0.204 4.556 4.350 0.003 0.000 0.266 495 T C 1.321 176.065 174.700 0.074 0.000 0.873 495 T CA 0.209 62.351 62.100 0.070 0.000 0.854 495 T CB -0.160 68.769 68.868 0.101 0.000 1.254 495 T HN 0.060 nan 8.240 nan 0.000 0.570 496 M N 0.834 120.479 119.600 0.077 0.000 2.615 496 M HA 0.479 4.961 4.480 0.003 0.000 0.262 496 M C 0.500 176.835 176.300 0.057 0.000 1.198 496 M CA 0.278 55.624 55.300 0.077 0.000 1.165 496 M CB -0.209 32.448 32.600 0.095 0.000 1.310 496 M HN 0.206 nan 8.290 nan 0.000 0.494 497 L N 1.524 122.774 121.223 0.045 0.000 2.397 497 L HA 0.160 4.502 4.340 0.003 0.000 0.271 497 L C 0.566 177.455 176.870 0.032 0.000 1.148 497 L CA 0.024 54.885 54.840 0.034 0.000 0.825 497 L CB 0.436 42.510 42.059 0.025 0.000 1.117 497 L HN 0.085 nan 8.230 nan 0.000 0.456 498 K N 3.466 123.884 120.400 0.029 0.000 2.156 498 K HA 0.375 4.697 4.320 0.003 0.000 0.271 498 K C -2.307 174.304 176.600 0.018 0.000 0.995 498 K CA -1.768 54.534 56.287 0.026 0.000 0.890 498 K CB 1.330 33.849 32.500 0.032 0.000 1.073 498 K HN 0.218 nan 8.250 nan 0.000 0.454 499 P HA -0.059 nan 4.420 nan 0.000 0.265 499 P C -0.834 176.468 177.300 0.004 0.000 1.187 499 P CA 0.177 63.283 63.100 0.010 0.000 0.766 499 P CB 0.393 32.098 31.700 0.009 0.000 0.820 500 I N 2.270 122.840 120.570 -0.001 0.000 2.382 500 I HA 0.296 4.468 4.170 0.003 0.000 0.286 500 I C 0.423 176.525 176.117 -0.024 0.000 1.002 500 I CA -1.166 60.127 61.300 -0.012 0.000 1.135 500 I CB 0.990 38.986 38.000 -0.008 0.000 1.288 500 I HN 0.358 nan 8.210 nan 0.000 0.448 501 A N 6.790 129.589 122.820 -0.035 0.000 2.546 501 A HA -0.008 4.314 4.320 0.003 0.000 0.243 501 A C 0.713 178.257 177.584 -0.067 0.000 1.063 501 A CA -0.096 51.916 52.037 -0.042 0.000 0.757 501 A CB -0.063 18.911 19.000 -0.043 0.000 0.991 501 A HN 0.743 nan 8.150 nan 0.000 0.503 502 K N 1.971 122.341 120.400 -0.049 0.000 2.366 502 K HA 0.191 4.513 4.320 0.003 0.000 0.272 502 K C 1.242 177.780 176.600 -0.104 0.000 1.151 502 K CA 1.167 57.422 56.287 -0.053 0.000 1.173 502 K CB -0.677 31.809 32.500 -0.024 0.000 0.853 502 K HN 1.527 nan 8.250 nan 0.000 0.473 503 G N 3.326 112.006 108.800 -0.199 0.000 2.284 503 G HA2 -0.243 3.720 3.960 0.003 0.000 0.216 503 G HA3 -0.243 3.720 3.960 0.003 0.000 0.216 503 G C -0.109 174.361 174.900 -0.717 0.000 1.009 503 G CA 0.002 44.865 45.100 -0.395 0.000 0.625 503 G HN 0.734 nan 8.290 nan 0.000 0.501 504 D N 1.464 121.635 120.400 -0.381 0.000 2.402 504 D HA 0.143 4.785 4.640 0.003 0.000 0.268 504 D C 0.415 176.531 176.300 -0.306 0.000 1.294 504 D CA 0.147 53.983 54.000 -0.272 0.000 0.945 504 D CB -0.026 40.700 40.800 -0.122 0.000 1.112 504 D HN 0.487 nan 8.370 nan 0.000 0.517 505 H N 2.544 121.605 119.070 -0.015 0.000 2.487 505 H HA 0.199 4.757 4.556 0.003 0.000 0.290 505 H C 1.658 176.961 175.328 -0.042 0.000 1.081 505 H CA 0.290 56.322 56.048 -0.026 0.000 1.116 505 H CB 0.578 30.323 29.762 -0.030 0.000 1.560 505 H HN 0.691 nan 8.280 nan 0.000 0.548 506 G N 1.592 110.409 108.800 0.029 0.000 2.225 506 G HA2 -0.390 3.572 3.960 0.003 0.000 0.272 506 G HA3 -0.390 3.572 3.960 0.003 0.000 0.272 506 G C 1.067 175.975 174.900 0.012 0.000 0.996 506 G CA 0.764 45.869 45.100 0.009 0.000 0.710 506 G HN 0.511 nan 8.290 nan 0.000 0.522 507 E N -0.021 120.197 120.200 0.030 0.000 2.492 507 E HA 0.134 4.486 4.350 0.003 0.000 0.204 507 E C 1.330 177.938 176.600 0.015 0.000 1.073 507 E CA 0.578 56.982 56.400 0.008 0.000 0.887 507 E CB -0.116 29.599 29.700 0.026 0.000 0.813 507 E HN 0.744 nan 8.360 nan 0.000 0.562 508 G N 1.120 109.935 108.800 0.026 0.000 2.267 508 G HA2 0.368 4.331 3.960 0.003 0.000 0.285 508 G HA3 0.368 4.331 3.960 0.003 0.000 0.285 508 G C -1.189 173.738 174.900 0.045 0.000 1.323 508 G CA -0.771 44.352 45.100 0.039 0.000 1.306 508 G HN 0.039 nan 8.290 nan 0.000 0.617 509 K N 1.469 121.906 120.400 0.062 0.000 2.960 509 K HA 0.413 4.735 4.320 0.003 0.000 0.296 509 K C 0.077 176.729 176.600 0.086 0.000 1.092 509 K CA -0.818 55.509 56.287 0.067 0.000 0.847 509 K CB 0.863 33.400 32.500 0.062 0.000 1.458 509 K HN 1.208 nan 8.250 nan 0.000 0.359 510 K N -0.605 119.840 120.400 0.074 0.000 2.402 510 K HA -0.323 3.999 4.320 0.003 0.000 0.294 510 K C 0.473 177.119 176.600 0.077 0.000 1.526 510 K CA 1.357 57.684 56.287 0.067 0.000 0.866 510 K CB -1.676 30.864 32.500 0.067 0.000 0.934 510 K HN 0.873 nan 8.250 nan 0.000 0.920 511 G N -0.436 108.402 108.800 0.063 0.000 2.535 511 G HA2 0.026 3.988 3.960 0.003 0.000 0.210 511 G HA3 0.026 3.988 3.960 0.003 0.000 0.210 511 G C 0.935 175.942 174.900 0.178 0.000 1.593 511 G CA 0.532 45.688 45.100 0.093 0.000 0.948 511 G HN 0.616 nan 8.290 nan 0.000 0.476 512 F N 0.943 120.906 119.950 0.021 0.000 2.008 512 F HA -0.082 4.447 4.527 0.004 0.000 0.297 512 F C 2.641 178.613 175.800 0.287 0.000 1.156 512 F CA 1.834 59.913 58.000 0.133 0.000 1.191 512 F CB -0.838 38.129 39.000 -0.054 0.000 0.955 512 F HN 0.187 nan 8.300 nan 0.000 0.497 513 F N 0.455 120.376 119.950 -0.049 0.000 2.045 513 F HA -0.341 4.188 4.527 0.003 0.000 0.297 513 F C 2.711 178.421 175.800 -0.150 0.000 1.114 513 F CA 0.779 58.661 58.000 -0.197 0.000 1.207 513 F CB -1.414 37.530 39.000 -0.093 0.000 0.964 513 F HN 0.219 nan 8.300 nan 0.000 0.486 514 G N -0.060 108.843 108.800 0.172 0.000 2.503 514 G HA2 -0.330 3.632 3.960 0.003 0.000 0.221 514 G HA3 -0.330 3.632 3.960 0.003 0.000 0.221 514 G C 1.342 176.291 174.900 0.082 0.000 1.131 514 G CA 0.827 45.988 45.100 0.102 0.000 0.756 514 G HN 0.697 nan 8.290 nan 0.000 0.572 515 W N 0.338 121.599 121.300 -0.065 0.000 2.379 515 W HA -0.056 4.606 4.660 0.003 0.000 0.307 515 W C 2.029 178.467 176.519 -0.136 0.000 1.200 515 W CA 0.871 58.161 57.345 -0.092 0.000 1.297 515 W CB -0.566 28.843 29.460 -0.086 0.000 1.140 515 W HN 0.181 nan 8.180 nan 0.000 0.507 516 F N 3.333 122.720 119.950 -0.940 0.000 2.063 516 F HA -0.332 4.197 4.527 0.004 0.000 0.298 516 F C 1.938 177.299 175.800 -0.731 0.000 1.109 516 F CA 2.831 60.185 58.000 -1.077 0.000 1.212 516 F CB -1.064 37.378 39.000 -0.930 0.000 0.973 516 F HN -0.114 nan 8.300 nan 0.000 0.480 517 N N -0.068 118.363 118.700 -0.449 0.000 2.258 517 N HA -0.214 4.528 4.740 0.003 0.000 0.187 517 N C 1.916 177.213 175.510 -0.354 0.000 1.012 517 N CA 1.417 54.254 53.050 -0.355 0.000 0.870 517 N CB -0.446 37.945 38.487 -0.160 0.000 0.977 517 N HN 0.394 nan 8.380 nan 0.000 0.434 518 R N 1.007 121.268 120.500 -0.398 0.000 2.070 518 R HA -0.134 4.208 4.340 0.003 0.000 0.227 518 R C 2.026 178.046 176.300 -0.467 0.000 1.147 518 R CA 1.917 57.820 56.100 -0.328 0.000 0.924 518 R CB -0.284 29.920 30.300 -0.160 0.000 0.827 518 R HN 0.278 nan 8.270 nan 0.000 0.431 519 M N -0.625 118.503 119.600 -0.786 0.000 2.435 519 M HA -0.046 4.436 4.480 0.003 0.000 0.262 519 M C 1.619 177.598 176.300 -0.536 0.000 1.065 519 M CA 1.567 56.467 55.300 -0.668 0.000 1.076 519 M CB -0.553 31.495 32.600 -0.920 0.000 1.403 519 M HN 0.221 nan 8.290 nan 0.000 0.454 520 F N 1.183 120.660 119.950 -0.788 0.000 2.123 520 F HA 0.102 4.632 4.527 0.003 0.000 0.289 520 F C 2.260 177.744 175.800 -0.526 0.000 1.099 520 F CA 1.485 59.062 58.000 -0.705 0.000 1.234 520 F CB -0.239 38.218 39.000 -0.905 0.000 1.034 520 F HN 0.087 nan 8.300 nan 0.000 0.479 521 E N 0.580 120.502 120.200 -0.465 0.000 2.209 521 E HA -0.241 4.111 4.350 0.003 0.000 0.196 521 E C 2.060 178.222 176.600 -0.730 0.000 0.993 521 E CA 0.991 57.046 56.400 -0.576 0.000 0.819 521 E CB -0.341 29.121 29.700 -0.397 0.000 0.745 521 E HN 0.453 nan 8.360 nan 0.000 0.477 522 K N 0.213 120.267 120.400 -0.578 0.000 2.137 522 K HA 0.024 4.346 4.320 0.003 0.000 0.202 522 K C 2.192 178.360 176.600 -0.720 0.000 1.052 522 K CA 0.735 56.673 56.287 -0.581 0.000 0.961 522 K CB 0.207 32.445 32.500 -0.436 0.000 0.741 522 K HN -0.106 nan 8.250 nan 0.000 0.452 523 S N 0.305 115.657 115.700 -0.579 0.000 2.406 523 S HA -0.112 4.360 4.470 0.003 0.000 0.228 523 S C 1.873 176.290 174.600 -0.305 0.000 1.020 523 S CA 1.669 59.634 58.200 -0.392 0.000 0.965 523 S CB -0.249 62.770 63.200 -0.301 0.000 0.798 523 S HN 0.620 nan 8.310 nan 0.000 0.488 524 T N 0.118 114.363 114.554 -0.516 0.000 2.788 524 T HA -0.135 4.217 4.350 0.003 0.000 0.268 524 T C 1.479 176.161 174.700 -0.029 0.000 1.044 524 T CA 1.357 63.230 62.100 -0.379 0.000 1.139 524 T CB -0.707 67.810 68.868 -0.586 0.000 0.867 524 T HN 0.582 nan 8.240 nan 0.000 0.454 525 H N 0.339 119.304 119.070 -0.174 0.000 2.299 525 H HA -0.008 4.551 4.556 0.004 0.000 0.302 525 H C 2.432 177.790 175.328 0.051 0.000 1.078 525 H CA 1.497 57.500 56.048 -0.075 0.000 1.323 525 H CB -0.233 29.462 29.762 -0.111 0.000 1.381 525 H HN 0.573 nan 8.280 nan 0.000 0.498 526 H N -1.116 118.013 119.070 0.099 0.000 2.489 526 H HA -0.195 4.363 4.556 0.003 0.000 0.295 526 H C 1.875 177.248 175.328 0.075 0.000 1.082 526 H CA 0.969 57.052 56.048 0.058 0.000 1.295 526 H CB 0.103 29.889 29.762 0.039 0.000 1.380 526 H HN 0.448 nan 8.280 nan 0.000 0.548 527 Y N 1.597 121.954 120.300 0.095 0.000 2.176 527 Y HA -0.227 4.325 4.550 0.004 0.000 0.291 527 Y C 2.902 178.830 175.900 0.047 0.000 1.122 527 Y CA 1.589 59.723 58.100 0.057 0.000 1.128 527 Y CB -0.341 38.087 38.460 -0.052 0.000 1.005 527 Y HN 0.150 nan 8.280 nan 0.000 0.509 528 T N -1.761 112.750 114.554 -0.071 0.000 2.699 528 T HA -0.225 4.127 4.350 0.003 0.000 0.268 528 T C 1.404 176.002 174.700 -0.171 0.000 1.036 528 T CA 1.802 63.804 62.100 -0.164 0.000 1.147 528 T CB -0.671 68.191 68.868 -0.010 0.000 0.862 528 T HN 0.332 nan 8.240 nan 0.000 0.446 529 D N 1.255 121.603 120.400 -0.086 0.000 2.178 529 D HA 0.005 4.647 4.640 0.003 0.000 0.202 529 D C 2.503 178.734 176.300 -0.115 0.000 0.974 529 D CA 1.110 55.062 54.000 -0.078 0.000 0.841 529 D CB -0.441 40.342 40.800 -0.029 0.000 0.953 529 D HN 0.455 nan 8.370 nan 0.000 0.478 530 S N -0.137 115.482 115.700 -0.135 0.000 2.368 530 S HA -0.086 4.386 4.470 0.003 0.000 0.224 530 S C 2.322 176.789 174.600 -0.221 0.000 1.029 530 S CA 0.553 58.660 58.200 -0.155 0.000 0.988 530 S CB -0.199 62.955 63.200 -0.078 0.000 0.838 530 S HN 0.090 nan 8.310 nan 0.000 0.462 531 V N 1.857 121.603 119.914 -0.280 0.000 2.237 531 V HA -0.123 3.999 4.120 0.003 0.000 0.245 531 V C 2.699 178.664 176.094 -0.215 0.000 1.046 531 V CA 2.028 64.165 62.300 -0.271 0.000 1.007 531 V CB -1.567 30.043 31.823 -0.355 0.000 0.638 531 V HN 0.582 nan 8.190 nan 0.000 0.445 532 G N -0.143 108.553 108.800 -0.174 0.000 2.470 532 G HA2 -0.133 3.829 3.960 0.003 0.000 0.220 532 G HA3 -0.133 3.829 3.960 0.003 0.000 0.220 532 G C 1.467 176.298 174.900 -0.115 0.000 1.121 532 G CA 0.877 45.905 45.100 -0.120 0.000 0.766 532 G HN 0.632 nan 8.290 nan 0.000 0.553 533 G N 0.710 109.431 108.800 -0.133 0.000 2.744 533 G HA2 0.110 4.072 3.960 0.003 0.000 0.211 533 G HA3 0.110 4.072 3.960 0.003 0.000 0.211 533 G C 1.529 176.355 174.900 -0.123 0.000 1.143 533 G CA 0.845 45.879 45.100 -0.111 0.000 0.788 533 G HN 0.671 nan 8.290 nan 0.000 0.534 534 I N -3.543 116.904 120.570 -0.205 0.000 4.323 534 I HA 0.365 4.537 4.170 0.003 0.000 0.328 534 I C 1.960 177.938 176.117 -0.233 0.000 1.310 534 I CA -0.050 61.072 61.300 -0.296 0.000 1.186 534 I CB 0.024 37.554 38.000 -0.782 0.000 1.130 534 I HN -0.074 nan 8.210 nan 0.000 0.411 535 L N 1.217 122.335 121.223 -0.174 0.000 2.109 535 L HA -0.004 4.338 4.340 0.003 0.000 0.207 535 L C 2.787 179.624 176.870 -0.056 0.000 1.086 535 L CA 1.300 56.078 54.840 -0.105 0.000 0.760 535 L CB -0.511 41.501 42.059 -0.079 0.000 0.910 535 L HN 0.207 nan 8.230 nan 0.000 0.437 536 R N -0.111 120.357 120.500 -0.053 0.000 2.091 536 R HA -0.103 4.239 4.340 0.003 0.000 0.238 536 R C 1.347 177.644 176.300 -0.005 0.000 1.136 536 R CA 0.755 56.838 56.100 -0.027 0.000 0.959 536 R CB -0.508 29.774 30.300 -0.029 0.000 0.856 536 R HN 0.152 nan 8.270 nan 0.000 0.437 537 S N 0.895 116.600 115.700 0.008 0.000 2.593 537 S HA -0.082 4.390 4.470 0.003 0.000 0.300 537 S C 1.072 175.710 174.600 0.063 0.000 1.267 537 S CA 0.215 58.454 58.200 0.065 0.000 1.065 537 S CB 0.613 63.917 63.200 0.173 0.000 0.807 537 S HN 0.490 nan 8.310 nan 0.000 0.499 538 T N 2.421 117.011 114.554 0.059 0.000 3.699 538 T HA 0.239 4.591 4.350 0.003 0.000 0.257 538 T C 1.242 175.985 174.700 0.072 0.000 1.155 538 T CA 0.364 62.492 62.100 0.047 0.000 0.987 538 T CB -1.416 67.472 68.868 0.033 0.000 1.028 538 T HN 1.754 nan 8.240 nan 0.000 0.583 539 G N 1.663 110.529 108.800 0.109 0.000 2.225 539 G HA2 -0.323 3.639 3.960 0.003 0.000 0.264 539 G HA3 -0.323 3.639 3.960 0.003 0.000 0.264 539 G C 0.560 175.573 174.900 0.188 0.000 1.060 539 G CA 0.253 45.444 45.100 0.152 0.000 0.833 539 G HN 0.641 nan 8.290 nan 0.000 0.498 540 R N -1.240 119.383 120.500 0.205 0.000 2.189 540 R HA 0.017 4.360 4.340 0.003 0.000 0.223 540 R C 1.813 178.168 176.300 0.090 0.000 1.092 540 R CA 1.504 57.663 56.100 0.098 0.000 0.989 540 R CB -0.159 30.142 30.300 0.001 0.000 0.876 540 R HN 0.563 nan 8.270 nan 0.000 0.457 541 Y N -0.407 119.953 120.300 0.101 0.000 2.516 541 Y HA -0.000 4.552 4.550 0.003 0.000 0.291 541 Y C 1.013 177.120 175.900 0.344 0.000 1.131 541 Y CA 0.258 58.480 58.100 0.203 0.000 1.281 541 Y CB 0.203 38.723 38.460 0.099 0.000 1.013 541 Y HN -0.005 nan 8.280 nan 0.000 0.554 542 L N -0.858 120.596 121.223 0.385 0.000 2.713 542 L HA 0.010 4.352 4.340 0.003 0.000 0.245 542 L C 0.987 178.015 176.870 0.264 0.000 1.169 542 L CA 0.582 55.614 54.840 0.320 0.000 0.962 542 L CB -0.592 41.595 42.059 0.213 0.000 1.161 542 L HN 0.069 nan 8.230 nan 0.000 0.427 543 V N -2.486 117.579 119.914 0.253 0.000 3.193 543 V HA 0.047 4.169 4.120 0.003 0.000 0.237 543 V C 1.555 177.751 176.094 0.170 0.000 1.447 543 V CA 0.217 62.617 62.300 0.167 0.000 1.227 543 V CB 0.258 32.136 31.823 0.093 0.000 1.040 543 V HN 0.281 nan 8.190 nan 0.000 0.458 544 L N 0.201 121.546 121.223 0.203 0.000 2.191 544 L HA -0.118 4.224 4.340 0.003 0.000 0.212 544 L C 2.140 179.163 176.870 0.255 0.000 1.103 544 L CA 2.283 57.243 54.840 0.200 0.000 0.769 544 L CB -0.798 41.388 42.059 0.211 0.000 0.908 544 L HN 0.509 nan 8.230 nan 0.000 0.438 545 Y N -0.417 119.992 120.300 0.182 0.000 2.184 545 Y HA -0.132 4.420 4.550 0.004 0.000 0.290 545 Y C 2.139 178.046 175.900 0.012 0.000 1.129 545 Y CA 1.727 59.825 58.100 -0.003 0.000 1.144 545 Y CB -0.116 38.362 38.460 0.030 0.000 0.995 545 Y HN 0.148 nan 8.280 nan 0.000 0.513 546 L N 0.069 121.367 121.223 0.125 0.000 2.353 546 L HA -0.195 4.147 4.340 0.003 0.000 0.220 546 L C 2.004 178.852 176.870 -0.037 0.000 1.133 546 L CA 0.846 55.694 54.840 0.013 0.000 0.798 546 L CB -0.375 41.741 42.059 0.095 0.000 0.922 546 L HN 0.401 nan 8.230 nan 0.000 0.445 547 I N -0.453 120.112 120.570 -0.009 0.000 2.339 547 I HA -0.232 3.940 4.170 0.003 0.000 0.245 547 I C 2.311 178.405 176.117 -0.038 0.000 1.096 547 I CA 1.075 62.371 61.300 -0.006 0.000 1.408 547 I CB -0.075 37.942 38.000 0.028 0.000 1.092 547 I HN 0.120 nan 8.210 nan 0.000 0.423 548 I N 0.395 120.917 120.570 -0.080 0.000 2.286 548 I HA -0.240 3.932 4.170 0.003 0.000 0.248 548 I C 2.495 178.519 176.117 -0.154 0.000 1.115 548 I CA 1.119 62.356 61.300 -0.105 0.000 1.392 548 I CB -0.390 37.514 38.000 -0.159 0.000 1.065 548 I HN 0.045 nan 8.210 nan 0.000 0.418 549 V N 0.492 120.245 119.914 -0.268 0.000 2.407 549 V HA -0.204 3.918 4.120 0.003 0.000 0.248 549 V C 2.385 178.430 176.094 -0.082 0.000 1.055 549 V CA 1.411 63.573 62.300 -0.229 0.000 1.049 549 V CB -0.373 31.281 31.823 -0.282 0.000 0.662 549 V HN 0.253 nan 8.190 nan 0.000 0.455 550 V N 0.779 120.667 119.914 -0.043 0.000 2.346 550 V HA -0.052 4.070 4.120 0.003 0.000 0.244 550 V C 2.686 178.830 176.094 0.083 0.000 1.037 550 V CA 1.905 64.217 62.300 0.021 0.000 1.029 550 V CB -1.436 30.393 31.823 0.009 0.000 0.663 550 V HN 0.555 nan 8.190 nan 0.000 0.454 551 G N -0.125 108.715 108.800 0.067 0.000 2.476 551 G HA2 -0.387 3.576 3.960 0.003 0.000 0.218 551 G HA3 -0.387 3.576 3.960 0.003 0.000 0.218 551 G C 1.638 176.647 174.900 0.182 0.000 1.164 551 G CA 1.521 46.703 45.100 0.138 0.000 0.768 551 G HN 0.440 nan 8.290 nan 0.000 0.560 552 M N 1.017 120.677 119.600 0.100 0.000 2.115 552 M HA -0.075 4.407 4.480 0.003 0.000 0.258 552 M C 2.785 179.175 176.300 0.149 0.000 1.071 552 M CA 2.391 57.752 55.300 0.102 0.000 1.100 552 M CB -0.348 32.262 32.600 0.016 0.000 1.292 552 M HN 0.261 nan 8.290 nan 0.000 0.415 553 A N -0.893 121.992 122.820 0.108 0.000 2.084 553 A HA -0.244 4.078 4.320 0.003 0.000 0.221 553 A C 1.898 179.617 177.584 0.224 0.000 1.161 553 A CA 1.838 53.959 52.037 0.141 0.000 0.653 553 A CB -1.219 17.833 19.000 0.087 0.000 0.802 553 A HN 0.843 nan 8.150 nan 0.000 0.457 554 Y N -0.029 120.331 120.300 0.099 0.000 2.176 554 Y HA 0.021 4.573 4.550 0.003 0.000 0.291 554 Y C 1.920 177.884 175.900 0.106 0.000 1.122 554 Y CA 1.454 59.608 58.100 0.090 0.000 1.128 554 Y CB -0.449 38.050 38.460 0.065 0.000 1.005 554 Y HN 0.180 nan 8.280 nan 0.000 0.509 555 L N -0.959 120.272 121.223 0.012 0.000 2.079 555 L HA -0.232 4.110 4.340 0.003 0.000 0.210 555 L C 2.348 179.194 176.870 -0.040 0.000 1.081 555 L CA 1.587 56.388 54.840 -0.065 0.000 0.752 555 L CB -0.779 41.343 42.059 0.105 0.000 0.896 555 L HN 0.259 nan 8.230 nan 0.000 0.433 556 F N 0.706 120.624 119.950 -0.054 0.000 2.161 556 F HA -0.204 4.325 4.527 0.004 0.000 0.300 556 F C 2.260 178.020 175.800 -0.067 0.000 1.089 556 F CA 1.828 59.811 58.000 -0.029 0.000 1.282 556 F CB -0.130 38.890 39.000 0.033 0.000 1.010 556 F HN -0.047 nan 8.300 nan 0.000 0.485 557 V N -1.920 117.944 119.914 -0.082 0.000 2.951 557 V HA 0.038 4.160 4.120 0.003 0.000 0.255 557 V C 2.236 178.193 176.094 -0.229 0.000 1.088 557 V CA 1.402 63.606 62.300 -0.160 0.000 1.109 557 V CB -0.765 31.045 31.823 -0.022 0.000 0.724 557 V HN 0.212 nan 8.190 nan 0.000 0.471 558 R N 0.116 120.441 120.500 -0.291 0.000 2.161 558 R HA 0.229 4.571 4.340 0.003 0.000 0.213 558 R C 0.832 176.992 176.300 -0.233 0.000 1.055 558 R CA 0.372 56.301 56.100 -0.284 0.000 0.996 558 R CB -0.492 29.564 30.300 -0.406 0.000 0.901 558 R HN 0.530 nan 8.270 nan 0.000 0.456 559 L N 3.300 124.363 121.223 -0.266 0.000 2.369 559 L HA 0.295 4.637 4.340 0.003 0.000 0.279 559 L C -2.084 174.618 176.870 -0.280 0.000 1.108 559 L CA -2.150 52.528 54.840 -0.270 0.000 0.852 559 L CB 0.601 42.459 42.059 -0.335 0.000 1.169 559 L HN 0.103 nan 8.230 nan 0.000 0.452 560 P HA 0.031 nan 4.420 nan 0.000 0.270 560 P C -0.860 176.341 177.300 -0.164 0.000 1.227 560 P CA -0.341 62.663 63.100 -0.160 0.000 0.788 560 P CB 0.733 32.369 31.700 -0.106 0.000 0.926 561 S N -0.021 115.613 115.700 -0.110 0.000 2.525 561 S HA 0.554 5.026 4.470 0.003 0.000 0.290 561 S C -0.365 174.228 174.600 -0.012 0.000 1.152 561 S CA -0.287 57.873 58.200 -0.066 0.000 1.072 561 S CB 0.221 63.399 63.200 -0.037 0.000 1.027 561 S HN 0.643 nan 8.310 nan 0.000 0.500 562 S N 3.003 118.716 115.700 0.022 0.000 2.625 562 S HA 0.651 5.123 4.470 0.003 0.000 0.271 562 S C -0.770 173.898 174.600 0.113 0.000 1.161 562 S CA -0.630 57.610 58.200 0.067 0.000 0.820 562 S CB 1.029 64.253 63.200 0.040 0.000 1.137 562 S HN 0.738 nan 8.310 nan 0.000 0.470 563 F N 1.503 121.443 119.950 -0.016 0.000 2.414 563 F HA 0.623 5.152 4.527 0.003 0.000 0.215 563 F C -0.544 175.206 175.800 -0.083 0.000 1.071 563 F CA -0.240 57.724 58.000 -0.061 0.000 1.042 563 F CB 0.197 39.156 39.000 -0.069 0.000 1.308 563 F HN 0.473 nan 8.300 nan 0.000 0.639 564 L N 2.700 124.015 121.223 0.153 0.000 2.305 564 L HA 0.390 4.732 4.340 0.003 0.000 0.284 564 L C -2.336 174.646 176.870 0.187 0.000 1.013 564 L CA -2.063 52.817 54.840 0.067 0.000 0.819 564 L CB 1.388 43.481 42.059 0.056 0.000 1.227 564 L HN 0.165 nan 8.230 nan 0.000 0.417 565 P HA 0.057 nan 4.420 nan 0.000 0.271 565 P C -0.805 176.605 177.300 0.183 0.000 1.220 565 P CA -0.356 62.846 63.100 0.169 0.000 0.768 565 P CB 0.854 32.641 31.700 0.145 0.000 0.848 566 D N 1.885 122.373 120.400 0.147 0.000 2.443 566 D HA 0.049 4.691 4.640 0.003 0.000 0.234 566 D C 0.419 176.794 176.300 0.125 0.000 1.172 566 D CA 0.939 55.021 54.000 0.136 0.000 0.878 566 D CB 0.395 41.261 40.800 0.109 0.000 1.204 566 D HN 0.288 nan 8.370 nan 0.000 0.453 567 E N 0.953 121.209 120.200 0.092 0.000 2.248 567 E HA 0.121 4.473 4.350 0.003 0.000 0.267 567 E C -0.967 175.639 176.600 0.009 0.000 0.877 567 E CA -0.685 55.754 56.400 0.065 0.000 0.759 567 E CB 1.845 31.589 29.700 0.073 0.000 1.182 567 E HN 0.397 nan 8.360 nan 0.000 0.418 568 D N 2.073 122.555 120.400 0.137 0.000 2.401 568 D HA -0.010 4.632 4.640 0.003 0.000 0.254 568 D C -0.051 176.459 176.300 0.350 0.000 1.192 568 D CA 0.519 54.668 54.000 0.248 0.000 0.885 568 D CB 0.709 41.751 40.800 0.404 0.000 1.147 568 D HN 0.342 nan 8.370 nan 0.000 0.478 569 Q N 2.193 122.037 119.800 0.073 0.000 2.179 569 Q HA 0.243 4.585 4.340 0.003 0.000 0.213 569 Q C 1.150 177.202 176.000 0.087 0.000 0.833 569 Q CA 0.001 55.796 55.803 -0.014 0.000 0.990 569 Q CB 1.025 29.454 28.738 -0.516 0.000 1.132 569 Q HN 0.789 nan 8.270 nan 0.000 0.493 570 G N 1.093 109.732 108.800 -0.269 0.000 2.162 570 G HA2 -0.281 3.681 3.960 0.003 0.000 0.260 570 G HA3 -0.281 3.681 3.960 0.003 0.000 0.260 570 G C 0.179 174.943 174.900 -0.227 0.000 0.976 570 G CA 0.514 45.318 45.100 -0.494 0.000 0.655 570 G HN 0.524 nan 8.290 nan 0.000 0.533 571 V N -2.903 116.942 119.914 -0.115 0.000 3.147 571 V HA 0.950 5.072 4.120 0.003 0.000 0.299 571 V C -0.604 175.547 176.094 0.095 0.000 1.302 571 V CA -0.761 61.472 62.300 -0.111 0.000 1.015 571 V CB 1.890 33.504 31.823 -0.350 0.000 1.086 571 V HN 1.735 nan 8.190 nan 0.000 0.437 572 F N 0.553 120.545 119.950 0.070 0.000 2.817 572 F HA 0.927 5.455 4.527 0.001 0.000 0.317 572 F C -1.225 174.580 175.800 0.008 0.000 1.168 572 F CA -1.387 56.614 58.000 0.001 0.000 0.911 572 F CB 1.735 40.687 39.000 -0.079 0.000 1.337 572 F HN 0.688 nan 8.300 nan 0.000 0.464 573 M N 0.683 120.303 119.600 0.033 0.000 2.690 573 M HA 0.655 5.137 4.480 0.003 0.000 0.302 573 M C -1.354 175.018 176.300 0.120 0.000 1.234 573 M CA -0.720 54.494 55.300 -0.143 0.000 0.853 573 M CB 2.871 35.302 32.600 -0.282 0.000 1.748 573 M HN 0.709 nan 8.290 nan 0.000 0.469 574 T N 2.509 117.154 114.554 0.152 0.000 2.881 574 T HA 0.550 4.902 4.350 0.003 0.000 0.291 574 T C -0.659 174.190 174.700 0.248 0.000 0.990 574 T CA -0.778 61.524 62.100 0.337 0.000 0.976 574 T CB 0.989 70.091 68.868 0.391 0.000 0.970 574 T HN 0.418 nan 8.240 nan 0.000 0.438 575 M N 3.126 122.944 119.600 0.364 0.000 2.318 575 M HA 0.565 5.047 4.480 0.003 0.000 0.347 575 M C -0.544 175.850 176.300 0.155 0.000 1.175 575 M CA -0.909 54.548 55.300 0.262 0.000 1.075 575 M CB 1.353 34.126 32.600 0.288 0.000 1.614 575 M HN 0.250 nan 8.290 nan 0.000 0.456 576 V N 3.165 123.131 119.914 0.086 0.000 2.525 576 V HA 0.392 4.514 4.120 0.003 0.000 0.299 576 V C -0.496 175.623 176.094 0.041 0.000 1.034 576 V CA -0.687 61.630 62.300 0.028 0.000 0.863 576 V CB 2.020 33.821 31.823 -0.037 0.000 0.999 576 V HN 0.730 nan 8.190 nan 0.000 0.423 577 Q N 3.884 123.714 119.800 0.051 0.000 2.292 577 Q HA 0.619 4.961 4.340 0.003 0.000 0.270 577 Q C -1.564 174.457 176.000 0.033 0.000 1.024 577 Q CA -0.552 55.278 55.803 0.045 0.000 0.768 577 Q CB 2.439 31.214 28.738 0.060 0.000 1.250 577 Q HN 0.598 nan 8.270 nan 0.000 0.447 578 L N 3.976 125.211 121.223 0.020 0.000 2.332 578 L HA 0.609 4.951 4.340 0.003 0.000 0.269 578 L C -2.122 174.760 176.870 0.019 0.000 1.016 578 L CA -1.853 52.995 54.840 0.014 0.000 0.809 578 L CB 0.794 42.854 42.059 0.002 0.000 1.280 578 L HN 0.409 nan 8.230 nan 0.000 0.447 579 P HA 0.112 nan 4.420 nan 0.000 0.269 579 P C -1.063 176.250 177.300 0.022 0.000 1.217 579 P CA -0.350 62.765 63.100 0.024 0.000 0.783 579 P CB 0.403 32.117 31.700 0.023 0.000 0.898 580 A N 2.028 124.866 122.820 0.030 0.000 2.511 580 A HA 0.438 4.761 4.320 0.003 0.000 0.242 580 A C 1.466 179.061 177.584 0.018 0.000 1.069 580 A CA 0.840 52.894 52.037 0.027 0.000 0.763 580 A CB -1.332 17.690 19.000 0.037 0.000 1.001 580 A HN 0.857 nan 8.150 nan 0.000 0.498 581 G N 0.456 109.262 108.800 0.009 0.000 2.213 581 G HA2 0.187 4.149 3.960 0.003 0.000 0.226 581 G HA3 0.187 4.149 3.960 0.003 0.000 0.226 581 G C 0.560 175.456 174.900 -0.007 0.000 0.992 581 G CA 0.252 45.349 45.100 -0.005 0.000 0.632 581 G HN 2.161 nan 8.290 nan 0.000 0.511 582 A N 1.113 123.933 122.820 -0.000 0.000 2.440 582 A HA 0.674 4.996 4.320 0.003 0.000 0.251 582 A C 1.006 178.588 177.584 -0.003 0.000 1.089 582 A CA 1.195 53.230 52.037 -0.004 0.000 0.779 582 A CB 0.175 19.174 19.000 -0.001 0.000 1.022 582 A HN 1.792 nan 8.150 nan 0.000 0.492 583 T N 0.019 114.569 114.554 -0.008 0.000 2.882 583 T HA 0.206 4.558 4.350 0.003 0.000 0.287 583 T C 1.009 175.707 174.700 -0.003 0.000 1.014 583 T CA 0.282 62.378 62.100 -0.006 0.000 1.049 583 T CB 0.911 69.771 68.868 -0.014 0.000 1.001 583 T HN 0.744 nan 8.240 nan 0.000 0.525 584 Q N 0.224 120.026 119.800 0.003 0.000 2.197 584 Q HA -0.230 4.112 4.340 0.003 0.000 0.207 584 Q C 2.074 178.073 176.000 -0.000 0.000 0.984 584 Q CA 2.070 57.878 55.803 0.009 0.000 0.869 584 Q CB -0.133 28.616 28.738 0.020 0.000 0.906 584 Q HN 0.935 nan 8.270 nan 0.000 0.426 585 E N -0.138 120.057 120.200 -0.008 0.000 2.028 585 E HA -0.195 4.157 4.350 0.003 0.000 0.191 585 E C 2.087 178.676 176.600 -0.017 0.000 0.988 585 E CA 1.000 57.392 56.400 -0.014 0.000 0.799 585 E CB 0.094 29.783 29.700 -0.019 0.000 0.755 585 E HN 0.344 nan 8.360 nan 0.000 0.447 586 R N -0.229 120.260 120.500 -0.018 0.000 2.105 586 R HA -0.105 4.237 4.340 0.003 0.000 0.239 586 R C 2.407 178.693 176.300 -0.024 0.000 1.135 586 R CA 1.705 57.792 56.100 -0.021 0.000 0.967 586 R CB -0.657 29.631 30.300 -0.020 0.000 0.861 586 R HN 0.216 nan 8.270 nan 0.000 0.442 587 T N 1.087 115.630 114.554 -0.018 0.000 2.788 587 T HA -0.182 4.170 4.350 0.003 0.000 0.268 587 T C 1.771 176.454 174.700 -0.027 0.000 1.044 587 T CA 1.459 63.547 62.100 -0.020 0.000 1.139 587 T CB -0.145 68.719 68.868 -0.007 0.000 0.867 587 T HN 0.167 nan 8.240 nan 0.000 0.454 588 Q N 1.520 121.307 119.800 -0.021 0.000 2.119 588 Q HA 0.005 4.347 4.340 0.003 0.000 0.201 588 Q C 2.173 178.155 176.000 -0.030 0.000 0.972 588 Q CA 1.539 57.328 55.803 -0.024 0.000 0.847 588 Q CB -0.265 28.463 28.738 -0.017 0.000 0.903 588 Q HN 0.456 nan 8.270 nan 0.000 0.433 589 K N -0.768 119.615 120.400 -0.030 0.000 2.103 589 K HA -0.118 4.204 4.320 0.003 0.000 0.207 589 K C 1.717 178.290 176.600 -0.046 0.000 1.048 589 K CA 1.477 57.744 56.287 -0.034 0.000 0.930 589 K CB 0.016 32.496 32.500 -0.033 0.000 0.716 589 K HN 0.171 nan 8.250 nan 0.000 0.444 590 V N 1.554 121.434 119.914 -0.057 0.000 2.379 590 V HA -0.213 3.909 4.120 0.003 0.000 0.245 590 V C 2.306 178.335 176.094 -0.109 0.000 1.044 590 V CA 1.353 63.600 62.300 -0.088 0.000 1.036 590 V CB -0.298 31.469 31.823 -0.094 0.000 0.664 590 V HN 0.303 nan 8.190 nan 0.000 0.453 591 L N 0.315 121.490 121.223 -0.081 0.000 2.131 591 L HA -0.164 4.178 4.340 0.003 0.000 0.210 591 L C 2.468 179.315 176.870 -0.038 0.000 1.092 591 L CA 1.253 56.049 54.840 -0.073 0.000 0.759 591 L CB -0.653 41.373 42.059 -0.054 0.000 0.903 591 L HN 0.396 nan 8.230 nan 0.000 0.435 592 N N 0.115 118.801 118.700 -0.023 0.000 2.084 592 N HA -0.186 4.556 4.740 0.003 0.000 0.190 592 N C 1.701 177.241 175.510 0.051 0.000 1.030 592 N CA 1.295 54.354 53.050 0.014 0.000 0.849 592 N CB -0.173 38.317 38.487 0.006 0.000 1.012 592 N HN 0.429 nan 8.380 nan 0.000 0.423 593 E N 0.356 120.558 120.200 0.004 0.000 2.085 593 E HA -0.108 4.244 4.350 0.003 0.000 0.194 593 E C 1.995 178.667 176.600 0.120 0.000 0.994 593 E CA 0.846 57.260 56.400 0.024 0.000 0.801 593 E CB -0.044 29.637 29.700 -0.032 0.000 0.743 593 E HN 0.069 nan 8.360 nan 0.000 0.453 594 V N 1.304 121.201 119.914 -0.028 0.000 2.261 594 V HA -0.256 3.866 4.120 0.003 0.000 0.246 594 V C 2.357 178.549 176.094 0.164 0.000 1.047 594 V CA 2.259 64.517 62.300 -0.070 0.000 1.015 594 V CB -0.710 30.915 31.823 -0.330 0.000 0.642 594 V HN 0.350 nan 8.190 nan 0.000 0.446 595 T N -0.956 113.696 114.554 0.163 0.000 2.720 595 T HA -0.263 4.089 4.350 0.003 0.000 0.268 595 T C 1.881 176.705 174.700 0.206 0.000 1.037 595 T CA 1.819 64.045 62.100 0.211 0.000 1.144 595 T CB -0.495 68.436 68.868 0.104 0.000 0.864 595 T HN 0.591 nan 8.240 nan 0.000 0.444 596 H N 0.210 119.333 119.070 0.089 0.000 2.319 596 H HA -0.164 4.394 4.556 0.004 0.000 0.299 596 H C 2.225 177.595 175.328 0.070 0.000 1.092 596 H CA 2.029 58.117 56.048 0.066 0.000 1.302 596 H CB -0.677 29.120 29.762 0.058 0.000 1.373 596 H HN 0.477 nan 8.280 nan 0.000 0.497 597 Y N 0.794 121.231 120.300 0.229 0.000 2.114 597 Y HA -0.322 4.232 4.550 0.008 0.000 0.282 597 Y C 2.069 177.966 175.900 -0.006 0.000 1.165 597 Y CA 2.234 60.380 58.100 0.077 0.000 1.148 597 Y CB -0.759 37.684 38.460 -0.029 0.000 0.972 597 Y HN 0.155 nan 8.280 nan 0.000 0.504 598 Y N -0.495 119.881 120.300 0.127 0.000 2.337 598 Y HA -0.086 4.464 4.550 0.001 0.000 0.293 598 Y C 2.211 178.050 175.900 -0.100 0.000 1.123 598 Y CA 1.013 59.118 58.100 0.008 0.000 1.201 598 Y CB -0.576 37.976 38.460 0.153 0.000 1.011 598 Y HN 0.128 nan 8.280 nan 0.000 0.545 599 L N -0.709 120.538 121.223 0.040 0.000 2.395 599 L HA -0.060 4.282 4.340 0.003 0.000 0.218 599 L C 2.054 178.830 176.870 -0.155 0.000 1.130 599 L CA 1.532 56.332 54.840 -0.067 0.000 0.826 599 L CB -0.512 41.493 42.059 -0.089 0.000 0.941 599 L HN 0.348 nan 8.230 nan 0.000 0.451 600 T N -4.948 109.467 114.554 -0.232 0.000 3.151 600 T HA 0.048 4.400 4.350 0.003 0.000 0.239 600 T C 1.765 176.336 174.700 -0.214 0.000 0.979 600 T CA -0.291 61.661 62.100 -0.246 0.000 1.194 600 T CB 0.007 68.659 68.868 -0.360 0.000 0.982 600 T HN -0.122 nan 8.240 nan 0.000 0.428 601 K N 1.119 121.329 120.400 -0.316 0.000 2.362 601 K HA 0.136 4.458 4.320 0.003 0.000 0.200 601 K C 0.698 177.120 176.600 -0.296 0.000 1.046 601 K CA 0.883 56.960 56.287 -0.349 0.000 0.952 601 K CB 0.036 32.168 32.500 -0.614 0.000 0.753 601 K HN 0.427 nan 8.250 nan 0.000 0.466 602 E N 0.408 120.458 120.200 -0.251 0.000 3.646 602 E HA 0.112 4.464 4.350 0.003 0.000 0.211 602 E C 0.253 176.825 176.600 -0.046 0.000 1.034 602 E CA -0.033 56.308 56.400 -0.097 0.000 1.341 602 E CB 0.322 30.030 29.700 0.015 0.000 1.202 602 E HN -0.033 nan 8.360 nan 0.000 0.447 603 K N -0.100 120.260 120.400 -0.067 0.000 2.147 603 K HA -0.063 4.260 4.320 0.003 0.000 0.205 603 K C 1.104 177.684 176.600 -0.033 0.000 1.049 603 K CA 0.976 57.231 56.287 -0.052 0.000 0.936 603 K CB 0.143 32.609 32.500 -0.057 0.000 0.722 603 K HN 0.236 nan 8.250 nan 0.000 0.446 604 N N 0.761 119.445 118.700 -0.026 0.000 2.300 604 N HA -0.064 4.678 4.740 0.003 0.000 0.179 604 N C 1.229 176.732 175.510 -0.012 0.000 1.016 604 N CA 0.862 53.903 53.050 -0.016 0.000 0.876 604 N CB -0.060 38.421 38.487 -0.010 0.000 0.979 604 N HN 0.261 nan 8.380 nan 0.000 0.432 605 N N 0.427 119.126 118.700 -0.002 0.000 2.439 605 N HA 0.042 4.784 4.740 0.003 0.000 0.176 605 N C 0.264 175.770 175.510 -0.008 0.000 1.029 605 N CA 0.155 53.207 53.050 0.004 0.000 0.886 605 N CB 0.521 39.030 38.487 0.037 0.000 1.057 605 N HN -0.075 nan 8.380 nan 0.000 0.437 606 V N 2.425 122.340 119.914 0.002 0.000 2.488 606 V HA 0.041 4.163 4.120 0.003 0.000 0.277 606 V C 1.397 177.456 176.094 -0.057 0.000 1.046 606 V CA 0.058 62.337 62.300 -0.035 0.000 0.986 606 V CB 1.697 33.511 31.823 -0.014 0.000 0.989 606 V HN 0.168 nan 8.190 nan 0.000 0.475 607 E N 3.813 123.967 120.200 -0.077 0.000 2.166 607 E HA 0.067 4.419 4.350 0.003 0.000 0.192 607 E C 0.577 177.133 176.600 -0.072 0.000 0.967 607 E CA 0.896 57.261 56.400 -0.059 0.000 0.840 607 E CB 0.456 30.130 29.700 -0.045 0.000 0.795 607 E HN 0.823 nan 8.360 nan 0.000 0.470 608 S N -1.634 114.013 115.700 -0.089 0.000 2.565 608 S HA 0.636 5.108 4.470 0.003 0.000 0.269 608 S C -1.227 173.307 174.600 -0.109 0.000 1.153 608 S CA -0.895 57.225 58.200 -0.133 0.000 0.835 608 S CB 1.901 65.087 63.200 -0.023 0.000 1.122 608 S HN -0.036 nan 8.310 nan 0.000 0.462 609 V N 2.097 121.933 119.914 -0.130 0.000 2.447 609 V HA 0.515 4.637 4.120 0.003 0.000 0.292 609 V C -1.507 174.635 176.094 0.079 0.000 1.021 609 V CA -0.418 61.865 62.300 -0.028 0.000 0.850 609 V CB 1.077 32.901 31.823 0.001 0.000 1.005 609 V HN 0.877 nan 8.190 nan 0.000 0.426 610 F N 4.866 124.857 119.950 0.067 0.000 2.361 610 F HA 0.791 5.319 4.527 0.002 0.000 0.364 610 F C 0.368 176.199 175.800 0.052 0.000 1.120 610 F CA -0.402 57.668 58.000 0.117 0.000 1.102 610 F CB 0.946 40.017 39.000 0.117 0.000 1.183 610 F HN 0.549 nan 8.300 nan 0.000 0.476 611 A N 5.676 128.311 122.820 -0.309 0.000 2.342 611 A HA 0.724 5.046 4.320 0.003 0.000 0.323 611 A C -1.426 175.942 177.584 -0.359 0.000 1.125 611 A CA -0.580 51.323 52.037 -0.223 0.000 0.785 611 A CB 1.499 20.425 19.000 -0.122 0.000 1.221 611 A HN 1.076 nan 8.150 nan 0.000 0.463 612 V N 2.179 121.951 119.914 -0.238 0.000 2.483 612 V HA 0.593 4.715 4.120 0.003 0.000 0.297 612 V C -0.858 175.213 176.094 -0.040 0.000 1.027 612 V CA -0.843 61.341 62.300 -0.194 0.000 0.855 612 V CB 1.559 33.205 31.823 -0.295 0.000 0.995 612 V HN 0.874 nan 8.190 nan 0.000 0.424 613 N N 4.334 123.025 118.700 -0.015 0.000 2.472 613 N HA 0.597 5.339 4.740 0.003 0.000 0.277 613 N C 1.012 176.572 175.510 0.083 0.000 1.081 613 N CA 1.289 54.353 53.050 0.024 0.000 0.973 613 N CB 1.497 39.987 38.487 0.006 0.000 1.105 613 N HN 1.620 nan 8.380 nan 0.000 0.470 614 G N 2.296 111.152 108.800 0.093 0.000 2.195 614 G HA2 -0.218 3.744 3.960 0.003 0.000 0.224 614 G HA3 -0.218 3.744 3.960 0.003 0.000 0.224 614 G C -0.228 174.777 174.900 0.175 0.000 0.990 614 G CA -0.043 45.128 45.100 0.118 0.000 0.639 614 G HN 0.559 nan 8.290 nan 0.000 0.514 615 F N 1.652 121.633 119.950 0.051 0.000 2.482 615 F HA 0.690 5.219 4.527 0.003 0.000 0.331 615 F C 0.402 176.208 175.800 0.009 0.000 1.115 615 F CA 0.243 58.283 58.000 0.067 0.000 0.955 615 F CB 1.833 40.926 39.000 0.154 0.000 1.136 615 F HN 0.353 nan 8.300 nan 0.000 0.452 616 G N 4.091 112.393 108.800 -0.830 0.000 2.672 616 G HA2 0.338 4.300 3.960 0.003 0.000 0.292 616 G HA3 0.338 4.300 3.960 0.003 0.000 0.292 616 G C -0.610 173.794 174.900 -0.826 0.000 1.375 616 G CA -0.614 44.154 45.100 -0.552 0.000 0.890 616 G HN 0.576 nan 8.290 nan 0.000 0.476 617 F N 1.037 120.871 119.950 -0.193 0.000 2.206 617 F HA 0.076 4.605 4.527 0.003 0.000 0.298 617 F C 2.867 178.617 175.800 -0.084 0.000 1.090 617 F CA 1.623 59.581 58.000 -0.071 0.000 1.323 617 F CB 0.090 39.139 39.000 0.081 0.000 1.028 617 F HN 0.467 nan 8.300 nan 0.000 0.492 618 A N -0.243 122.628 122.820 0.084 0.000 2.168 618 A HA 0.438 4.760 4.320 0.003 0.000 0.215 618 A C 1.240 178.816 177.584 -0.012 0.000 1.152 618 A CA 1.132 53.199 52.037 0.049 0.000 0.716 618 A CB -0.962 18.062 19.000 0.041 0.000 0.794 618 A HN 0.472 nan 8.150 nan 0.000 0.465 619 G N -1.597 107.134 108.800 -0.116 0.000 2.333 619 G HA2 0.245 4.207 3.960 0.003 0.000 0.330 619 G HA3 0.245 4.207 3.960 0.003 0.000 0.330 619 G C -0.686 174.101 174.900 -0.188 0.000 1.465 619 G CA -0.947 44.076 45.100 -0.129 0.000 0.996 619 G HN 0.392 nan 8.290 nan 0.000 0.655 620 R N -0.686 119.739 120.500 -0.125 0.000 2.774 620 R HA 0.571 4.913 4.340 0.003 0.000 0.269 620 R C 0.716 177.005 176.300 -0.018 0.000 1.068 620 R CA 0.926 56.990 56.100 -0.060 0.000 1.180 620 R CB 0.655 30.986 30.300 0.053 0.000 1.077 620 R HN 1.603 nan 8.270 nan 0.000 0.513 621 G N -0.508 108.300 108.800 0.013 0.000 2.404 621 G HA2 0.014 3.976 3.960 0.003 0.000 0.298 621 G HA3 0.014 3.976 3.960 0.003 0.000 0.298 621 G C -0.410 174.509 174.900 0.032 0.000 1.577 621 G CA -0.692 44.420 45.100 0.020 0.000 0.847 621 G HN 0.541 nan 8.290 nan 0.000 0.598 622 Q N -0.107 119.712 119.800 0.031 0.000 2.297 622 Q HA -0.085 4.257 4.340 0.003 0.000 0.204 622 Q C 1.735 177.747 176.000 0.020 0.000 0.962 622 Q CA 1.274 57.095 55.803 0.030 0.000 0.879 622 Q CB 0.112 28.865 28.738 0.024 0.000 0.947 622 Q HN 0.638 nan 8.270 nan 0.000 0.462 623 N N -0.411 118.299 118.700 0.016 0.000 2.268 623 N HA -0.010 4.732 4.740 0.003 0.000 0.204 623 N C -0.150 175.367 175.510 0.012 0.000 1.124 623 N CA 0.212 53.270 53.050 0.012 0.000 0.838 623 N CB 0.787 39.282 38.487 0.013 0.000 0.994 623 N HN -0.115 nan 8.380 nan 0.000 0.489 624 T N -1.554 113.008 114.554 0.013 0.000 2.883 624 T HA 0.747 5.099 4.350 0.003 0.000 0.296 624 T C -0.985 173.729 174.700 0.022 0.000 1.117 624 T CA -0.283 61.824 62.100 0.012 0.000 1.006 624 T CB 1.730 70.595 68.868 -0.004 0.000 1.191 624 T HN 0.365 nan 8.240 nan 0.000 0.508 625 G N 1.177 109.993 108.800 0.027 0.000 2.489 625 G HA2 0.584 4.546 3.960 0.003 0.000 0.291 625 G HA3 0.584 4.546 3.960 0.003 0.000 0.291 625 G C -2.107 172.812 174.900 0.032 0.000 1.487 625 G CA -0.473 44.650 45.100 0.039 0.000 0.795 625 G HN 0.921 nan 8.290 nan 0.000 0.513 626 I N -0.331 120.244 120.570 0.008 0.000 2.894 626 I HA 0.807 4.979 4.170 0.003 0.000 0.302 626 I C -0.866 175.144 176.117 -0.179 0.000 1.188 626 I CA -1.311 59.943 61.300 -0.076 0.000 1.014 626 I CB 2.187 40.127 38.000 -0.100 0.000 1.242 626 I HN 1.020 nan 8.210 nan 0.000 0.430 627 A N 5.992 128.675 122.820 -0.229 0.000 2.343 627 A HA 0.720 5.042 4.320 0.003 0.000 0.308 627 A C -1.673 175.710 177.584 -0.335 0.000 1.092 627 A CA -0.316 51.623 52.037 -0.164 0.000 0.751 627 A CB 0.670 19.677 19.000 0.011 0.000 1.203 627 A HN 0.530 nan 8.150 nan 0.000 0.452 628 F N 2.121 122.013 119.950 -0.098 0.000 2.405 628 F HA 0.492 5.020 4.527 0.003 0.000 0.355 628 F C 0.194 175.910 175.800 -0.141 0.000 1.121 628 F CA -0.302 57.596 58.000 -0.171 0.000 1.112 628 F CB 1.937 40.794 39.000 -0.239 0.000 1.126 628 F HN 0.289 nan 8.300 nan 0.000 0.481 629 V N 2.378 122.172 119.914 -0.200 0.000 2.417 629 V HA 0.470 4.592 4.120 0.003 0.000 0.291 629 V C -0.250 175.643 176.094 -0.334 0.000 1.024 629 V CA -0.738 61.265 62.300 -0.495 0.000 0.861 629 V CB 1.602 32.600 31.823 -1.376 0.000 0.985 629 V HN 0.732 nan 8.190 nan 0.000 0.436 630 S N 4.995 120.582 115.700 -0.189 0.000 2.454 630 S HA 0.768 5.240 4.470 0.003 0.000 0.306 630 S C -0.566 173.939 174.600 -0.158 0.000 1.100 630 S CA -0.553 57.571 58.200 -0.126 0.000 1.087 630 S CB 0.639 63.831 63.200 -0.014 0.000 1.019 630 S HN 0.567 nan 8.310 nan 0.000 0.480 631 L N 3.677 124.797 121.223 -0.171 0.000 2.400 631 L HA 0.554 4.896 4.340 0.003 0.000 0.264 631 L C 0.622 177.385 176.870 -0.178 0.000 1.061 631 L CA -1.065 53.681 54.840 -0.156 0.000 0.799 631 L CB 0.706 42.668 42.059 -0.162 0.000 1.240 631 L HN 0.543 nan 8.230 nan 0.000 0.461 632 K N 0.072 120.381 120.400 -0.153 0.000 2.117 632 K HA 0.109 4.431 4.320 0.003 0.000 0.240 632 K C -0.449 176.005 176.600 -0.243 0.000 1.031 632 K CA -0.712 55.492 56.287 -0.139 0.000 0.909 632 K CB 0.423 32.877 32.500 -0.078 0.000 1.097 632 K HN 0.517 nan 8.250 nan 0.000 0.492 633 D N 0.145 120.434 120.400 -0.185 0.000 2.423 633 D HA -0.085 4.558 4.640 0.003 0.000 0.238 633 D C 0.671 176.864 176.300 -0.180 0.000 1.142 633 D CA 0.101 53.960 54.000 -0.235 0.000 0.884 633 D CB 0.485 41.285 40.800 0.000 0.000 1.199 633 D HN 0.360 nan 8.370 nan 0.000 0.438 634 W N 3.111 124.441 121.300 0.051 0.000 2.302 634 W HA -0.242 4.420 4.660 0.002 0.000 0.320 634 W C 2.559 179.103 176.519 0.042 0.000 1.241 634 W CA 1.202 58.579 57.345 0.055 0.000 1.264 634 W CB -1.421 28.079 29.460 0.067 0.000 1.154 634 W HN 0.563 nan 8.180 nan 0.000 0.483 635 A N 0.554 123.561 122.820 0.312 0.000 1.997 635 A HA -0.254 4.068 4.320 0.003 0.000 0.221 635 A C 1.585 179.235 177.584 0.110 0.000 1.172 635 A CA 2.348 54.490 52.037 0.175 0.000 0.645 635 A CB -0.872 18.213 19.000 0.143 0.000 0.813 635 A HN 0.288 nan 8.150 nan 0.000 0.454 636 D N -1.149 119.300 120.400 0.081 0.000 2.355 636 D HA 0.057 4.699 4.640 0.003 0.000 0.218 636 D C 0.667 176.988 176.300 0.035 0.000 1.004 636 D CA 0.485 54.510 54.000 0.042 0.000 0.880 636 D CB 0.011 40.819 40.800 0.014 0.000 0.911 636 D HN 0.412 nan 8.370 nan 0.000 0.528 637 R N 1.226 121.759 120.500 0.055 0.000 3.194 637 R HA 0.214 4.556 4.340 0.003 0.000 0.306 637 R C -2.417 173.933 176.300 0.084 0.000 1.347 637 R CA -1.257 54.874 56.100 0.052 0.000 1.540 637 R CB 1.260 31.577 30.300 0.028 0.000 1.352 637 R HN 0.077 nan 8.270 nan 0.000 0.621 638 P HA 0.193 nan 4.420 nan 0.000 0.271 638 P C 0.275 177.613 177.300 0.063 0.000 1.218 638 P CA 0.540 63.684 63.100 0.074 0.000 0.780 638 P CB 1.404 33.139 31.700 0.058 0.000 0.901 639 G N 1.695 110.535 108.800 0.066 0.000 2.612 639 G HA2 -0.151 3.811 3.960 0.003 0.000 0.686 639 G HA3 -0.151 3.811 3.960 0.003 0.000 0.686 639 G C 0.210 175.147 174.900 0.062 0.000 1.274 639 G CA -0.250 44.883 45.100 0.055 0.000 0.849 639 G HN 0.516 nan 8.290 nan 0.000 0.595 640 E N -0.359 119.872 120.200 0.051 0.000 2.400 640 E HA 0.025 4.377 4.350 0.003 0.000 0.195 640 E C 1.950 178.576 176.600 0.043 0.000 1.012 640 E CA 1.054 57.485 56.400 0.051 0.000 0.875 640 E CB 0.143 29.869 29.700 0.043 0.000 0.859 640 E HN 0.661 nan 8.360 nan 0.000 0.498 641 E N 0.159 120.381 120.200 0.037 0.000 2.285 641 E HA -0.041 4.311 4.350 0.003 0.000 0.194 641 E C 0.829 177.449 176.600 0.033 0.000 0.997 641 E CA 0.406 56.824 56.400 0.030 0.000 0.845 641 E CB 0.235 29.950 29.700 0.025 0.000 0.782 641 E HN 0.095 nan 8.360 nan 0.000 0.491 642 N N 0.623 119.348 118.700 0.043 0.000 2.235 642 N HA 0.039 4.781 4.740 0.003 0.000 0.209 642 N C -0.501 175.042 175.510 0.054 0.000 1.122 642 N CA 0.193 53.270 53.050 0.045 0.000 0.845 642 N CB 0.604 39.117 38.487 0.044 0.000 1.004 642 N HN -0.093 nan 8.380 nan 0.000 0.499 643 K N 0.124 120.560 120.400 0.060 0.000 2.087 643 K HA 0.195 4.517 4.320 0.003 0.000 0.255 643 K C 1.605 178.227 176.600 0.036 0.000 0.988 643 K CA -0.464 55.869 56.287 0.075 0.000 0.915 643 K CB 1.198 33.757 32.500 0.098 0.000 1.043 643 K HN -0.214 nan 8.250 nan 0.000 0.457 644 V N -0.896 119.039 119.914 0.036 0.000 2.380 644 V HA -0.248 3.874 4.120 0.003 0.000 0.251 644 V C 1.857 177.894 176.094 -0.095 0.000 1.063 644 V CA 2.075 64.347 62.300 -0.047 0.000 1.055 644 V CB -0.560 31.265 31.823 0.003 0.000 0.657 644 V HN 0.796 nan 8.190 nan 0.000 0.455 645 E N 1.673 121.861 120.200 -0.020 0.000 2.058 645 E HA -0.146 4.206 4.350 0.003 0.000 0.194 645 E C 2.123 178.706 176.600 -0.028 0.000 0.997 645 E CA 2.121 58.513 56.400 -0.013 0.000 0.801 645 E CB -0.757 28.957 29.700 0.023 0.000 0.746 645 E HN 0.694 nan 8.360 nan 0.000 0.450 646 A N 0.457 123.269 122.820 -0.014 0.000 1.872 646 A HA -0.077 4.245 4.320 0.003 0.000 0.214 646 A C 2.394 179.960 177.584 -0.029 0.000 1.187 646 A CA 1.402 53.433 52.037 -0.010 0.000 0.614 646 A CB -0.708 18.298 19.000 0.010 0.000 0.826 646 A HN 0.339 nan 8.150 nan 0.000 0.442 647 I N 0.601 121.143 120.570 -0.046 0.000 2.151 647 I HA -0.283 3.889 4.170 0.003 0.000 0.243 647 I C 2.830 178.870 176.117 -0.127 0.000 1.080 647 I CA 2.043 63.315 61.300 -0.048 0.000 1.339 647 I CB -0.844 37.129 38.000 -0.046 0.000 1.039 647 I HN 0.554 nan 8.210 nan 0.000 0.409 648 T N -1.376 113.000 114.554 -0.296 0.000 2.867 648 T HA -0.097 4.255 4.350 0.003 0.000 0.268 648 T C 1.824 176.468 174.700 -0.093 0.000 1.057 648 T CA 0.841 62.764 62.100 -0.294 0.000 1.136 648 T CB -0.192 68.461 68.868 -0.359 0.000 0.874 648 T HN 0.198 nan 8.240 nan 0.000 0.466 649 M N 0.414 119.976 119.600 -0.064 0.000 2.200 649 M HA 0.122 4.604 4.480 0.003 0.000 0.265 649 M C 2.760 179.022 176.300 -0.064 0.000 1.066 649 M CA 1.089 56.369 55.300 -0.032 0.000 1.127 649 M CB -0.454 32.137 32.600 -0.014 0.000 1.379 649 M HN 0.226 nan 8.290 nan 0.000 0.420 650 R N 0.266 120.731 120.500 -0.058 0.000 2.148 650 R HA -0.032 4.310 4.340 0.003 0.000 0.223 650 R C 2.045 178.245 176.300 -0.167 0.000 1.088 650 R CA 1.239 57.303 56.100 -0.061 0.000 0.985 650 R CB 0.024 30.328 30.300 0.008 0.000 0.880 650 R HN 0.317 nan 8.270 nan 0.000 0.451 651 A N -0.644 122.048 122.820 -0.214 0.000 1.903 651 A HA -0.088 4.234 4.320 0.003 0.000 0.213 651 A C 2.099 179.167 177.584 -0.859 0.000 1.185 651 A CA 1.600 53.227 52.037 -0.682 0.000 0.628 651 A CB -0.709 18.150 19.000 -0.235 0.000 0.830 651 A HN 0.373 nan 8.150 nan 0.000 0.446 652 T N -0.748 113.617 114.554 -0.316 0.000 2.746 652 T HA -0.184 4.168 4.350 0.003 0.000 0.267 652 T C 2.111 176.653 174.700 -0.263 0.000 1.039 652 T CA 1.693 63.687 62.100 -0.177 0.000 1.142 652 T CB -0.351 68.504 68.868 -0.023 0.000 0.866 652 T HN 0.530 nan 8.240 nan 0.000 0.444 653 R N 0.149 120.506 120.500 -0.237 0.000 2.096 653 R HA -0.015 4.327 4.340 0.003 0.000 0.235 653 R C 2.502 178.648 176.300 -0.256 0.000 1.127 653 R CA 1.501 57.486 56.100 -0.191 0.000 0.968 653 R CB -0.601 29.620 30.300 -0.132 0.000 0.861 653 R HN 0.447 nan 8.270 nan 0.000 0.440 654 A N 0.238 122.792 122.820 -0.443 0.000 1.930 654 A HA -0.094 4.228 4.320 0.003 0.000 0.217 654 A C 1.705 179.034 177.584 -0.425 0.000 1.175 654 A CA 0.925 52.652 52.037 -0.517 0.000 0.627 654 A CB -0.455 17.997 19.000 -0.912 0.000 0.815 654 A HN 0.357 nan 8.150 nan 0.000 0.443 655 F N 1.309 121.043 119.950 -0.361 0.000 2.558 655 F HA -0.046 4.485 4.527 0.006 0.000 0.298 655 F C 2.652 178.295 175.800 -0.262 0.000 1.119 655 F CA 0.594 58.406 58.000 -0.314 0.000 1.451 655 F CB -0.854 37.948 39.000 -0.330 0.000 1.091 655 F HN 0.329 nan 8.300 nan 0.000 0.563 656 S N -0.093 115.545 115.700 -0.102 0.000 2.462 656 S HA -0.301 4.171 4.470 0.003 0.000 0.243 656 S C 1.958 176.517 174.600 -0.069 0.000 1.003 656 S CA 1.232 59.360 58.200 -0.120 0.000 0.970 656 S CB -0.813 62.317 63.200 -0.117 0.000 0.762 656 S HN 0.660 nan 8.310 nan 0.000 0.510 657 Q N 1.779 121.548 119.800 -0.052 0.000 1.942 657 Q HA -0.082 4.260 4.340 0.003 0.000 0.203 657 Q C 0.503 176.487 176.000 -0.027 0.000 0.987 657 Q CA 0.937 56.719 55.803 -0.036 0.000 0.844 657 Q CB -0.601 28.119 28.738 -0.031 0.000 0.911 657 Q HN 0.651 nan 8.270 nan 0.000 0.423 658 I N 4.119 124.680 120.570 -0.015 0.000 3.352 658 I HA -0.211 3.962 4.170 0.003 0.000 0.344 658 I C 0.348 176.444 176.117 -0.034 0.000 1.229 658 I CA 0.342 61.624 61.300 -0.031 0.000 1.458 658 I CB -0.169 37.797 38.000 -0.055 0.000 1.321 658 I HN 0.320 nan 8.210 nan 0.000 0.494 659 K N 5.787 126.169 120.400 -0.030 0.000 2.350 659 K HA 0.064 4.386 4.320 0.003 0.000 0.279 659 K C 0.171 176.758 176.600 -0.021 0.000 1.027 659 K CA -0.481 55.791 56.287 -0.024 0.000 0.969 659 K CB 0.532 33.020 32.500 -0.022 0.000 0.954 659 K HN 0.614 nan 8.250 nan 0.000 0.474 660 D N 0.284 120.676 120.400 -0.013 0.000 2.735 660 D HA -0.215 4.427 4.640 0.003 0.000 0.235 660 D C -1.327 174.970 176.300 -0.005 0.000 1.175 660 D CA 1.570 55.567 54.000 -0.006 0.000 0.683 660 D CB -0.942 39.853 40.800 -0.007 0.000 1.008 660 D HN 0.920 nan 8.370 nan 0.000 0.416 661 A N 0.925 123.744 122.820 -0.003 0.000 2.590 661 A HA 0.622 4.944 4.320 0.003 0.000 0.296 661 A C -0.662 176.931 177.584 0.015 0.000 1.050 661 A CA -0.713 51.324 52.037 0.000 0.000 0.697 661 A CB 1.103 20.086 19.000 -0.027 0.000 1.277 661 A HN 0.119 nan 8.150 nan 0.000 0.411 662 M N 1.961 121.598 119.600 0.062 0.000 2.061 662 M HA 0.481 4.963 4.480 0.003 0.000 0.346 662 M C -1.065 175.314 176.300 0.131 0.000 1.112 662 M CA -0.491 54.906 55.300 0.161 0.000 1.021 662 M CB 1.523 34.293 32.600 0.284 0.000 1.530 662 M HN 0.354 nan 8.290 nan 0.000 0.437 663 V N 4.897 124.782 119.914 -0.048 0.000 2.380 663 V HA 0.488 4.610 4.120 0.003 0.000 0.286 663 V C -1.080 174.919 176.094 -0.160 0.000 1.015 663 V CA -0.491 61.751 62.300 -0.098 0.000 0.834 663 V CB 0.769 32.400 31.823 -0.320 0.000 1.009 663 V HN 0.584 nan 8.190 nan 0.000 0.428 664 F N 2.657 122.686 119.950 0.132 0.000 2.520 664 F HA 0.818 5.348 4.527 0.004 0.000 0.322 664 F C 0.434 176.461 175.800 0.378 0.000 1.103 664 F CA -0.681 57.450 58.000 0.218 0.000 0.926 664 F CB 2.095 41.170 39.000 0.126 0.000 1.154 664 F HN 0.489 nan 8.300 nan 0.000 0.453 665 A N 4.111 127.258 122.820 0.546 0.000 2.303 665 A HA 0.833 5.155 4.320 0.003 0.000 0.320 665 A C -1.385 176.488 177.584 0.482 0.000 1.192 665 A CA -0.436 51.921 52.037 0.533 0.000 0.821 665 A CB 0.165 19.429 19.000 0.441 0.000 1.188 665 A HN 0.626 nan 8.150 nan 0.000 0.492 666 F N 0.707 120.794 119.950 0.228 0.000 2.578 666 F HA 0.662 5.192 4.527 0.004 0.000 0.311 666 F C -0.674 175.221 175.800 0.158 0.000 1.094 666 F CA -1.985 56.104 58.000 0.149 0.000 0.923 666 F CB 1.096 40.185 39.000 0.148 0.000 1.230 666 F HN 0.438 nan 8.300 nan 0.000 0.450 667 N N 2.949 121.698 118.700 0.081 0.000 2.470 667 N HA 0.258 5.000 4.740 0.003 0.000 0.268 667 N C -0.428 175.145 175.510 0.105 0.000 1.136 667 N CA -0.270 52.802 53.050 0.036 0.000 0.961 667 N CB 0.617 39.132 38.487 0.046 0.000 1.067 667 N HN 0.834 nan 8.380 nan 0.000 0.468 668 L N 4.501 125.759 121.223 0.059 0.000 2.558 668 L HA -0.052 4.290 4.340 0.003 0.000 0.301 668 L C -1.030 175.950 176.870 0.183 0.000 1.267 668 L CA -0.800 54.126 54.840 0.144 0.000 0.854 668 L CB 0.196 42.335 42.059 0.134 0.000 1.103 668 L HN 0.620 nan 8.230 nan 0.000 0.522 669 P HA -0.229 nan 4.420 nan 0.000 0.222 669 P C 0.751 178.152 177.300 0.169 0.000 1.142 669 P CA 1.384 64.591 63.100 0.179 0.000 0.788 669 P CB 0.047 31.844 31.700 0.163 0.000 0.767 670 A N -2.359 120.558 122.820 0.162 0.000 2.714 670 A HA -0.251 4.071 4.320 0.003 0.000 0.305 670 A C 0.889 178.639 177.584 0.277 0.000 1.520 670 A CA 1.631 53.762 52.037 0.157 0.000 0.879 670 A CB -2.367 16.685 19.000 0.087 0.000 0.976 670 A HN 0.444 nan 8.150 nan 0.000 0.487 671 I N -4.321 116.423 120.570 0.290 0.000 2.766 671 I HA 0.463 4.635 4.170 0.003 0.000 0.297 671 I C 0.722 177.000 176.117 0.269 0.000 0.797 671 I CA 0.578 62.073 61.300 0.324 0.000 2.632 671 I CB 0.821 38.938 38.000 0.194 0.000 1.637 671 I HN 0.671 nan 8.210 nan 0.000 0.485 672 V N -1.319 118.686 119.914 0.151 0.000 5.000 672 V HA 0.562 4.684 4.120 0.003 0.000 0.311 672 V C -0.910 175.235 176.094 0.085 0.000 1.608 672 V CA -0.523 61.847 62.300 0.115 0.000 0.814 672 V CB 0.754 32.600 31.823 0.039 0.000 1.241 672 V HN 0.272 nan 8.190 nan 0.000 0.451 673 E N 0.792 121.023 120.200 0.052 0.000 2.464 673 E HA 0.665 5.017 4.350 0.003 0.000 0.260 673 E C -0.488 176.127 176.600 0.026 0.000 1.318 673 E CA 0.212 56.642 56.400 0.051 0.000 1.571 673 E CB 0.329 30.067 29.700 0.062 0.000 1.525 673 E HN 0.670 nan 8.360 nan 0.000 0.449 674 L N -1.034 120.198 121.223 0.014 0.000 3.607 674 L HA 0.227 4.569 4.340 0.003 0.000 0.397 674 L C 0.925 177.799 176.870 0.006 0.000 1.225 674 L CA 0.488 55.322 54.840 -0.009 0.000 1.188 674 L CB -0.070 41.945 42.059 -0.072 0.000 1.299 674 L HN 0.264 nan 8.230 nan 0.000 0.559 675 G N -1.254 107.574 108.800 0.046 0.000 2.426 675 G HA2 -0.118 3.844 3.960 0.003 0.000 0.214 675 G HA3 -0.118 3.844 3.960 0.003 0.000 0.214 675 G C 1.093 176.038 174.900 0.075 0.000 1.156 675 G CA 1.053 46.201 45.100 0.080 0.000 0.802 675 G HN 0.334 nan 8.290 nan 0.000 0.534 676 T N 0.872 115.459 114.554 0.056 0.000 3.077 676 T HA 0.303 4.655 4.350 0.003 0.000 0.269 676 T C 1.552 176.261 174.700 0.015 0.000 1.146 676 T CA 1.438 63.557 62.100 0.032 0.000 1.091 676 T CB -0.812 68.047 68.868 -0.015 0.000 0.892 676 T HN 1.174 nan 8.240 nan 0.000 0.533 677 A N 0.773 123.605 122.820 0.021 0.000 6.115 677 A HA -0.215 4.107 4.320 0.003 0.000 0.360 677 A C 1.621 179.205 177.584 0.001 0.000 1.861 677 A CA 2.365 54.410 52.037 0.014 0.000 1.013 677 A CB -2.548 16.470 19.000 0.030 0.000 1.278 677 A HN 1.862 nan 8.150 nan 0.000 0.460 678 T N -2.441 112.116 114.554 0.005 0.000 2.623 678 T HA 0.171 4.523 4.350 0.003 0.000 0.091 678 T C 2.267 176.966 174.700 -0.002 0.000 1.728 678 T CA 2.729 64.832 62.100 0.006 0.000 0.719 678 T CB -1.666 67.203 68.868 0.002 0.000 0.776 678 T HN 3.146 nan 8.240 nan 0.000 0.369 679 G N 0.842 109.619 108.800 -0.037 0.000 2.681 679 G HA2 0.227 4.189 3.960 0.003 0.000 0.320 679 G HA3 0.227 4.189 3.960 0.003 0.000 0.320 679 G C -0.274 174.618 174.900 -0.014 0.000 1.339 679 G CA 0.757 45.766 45.100 -0.152 0.000 0.916 679 G HN 2.328 nan 8.290 nan 0.000 0.559 680 F N -2.854 117.118 119.950 0.036 0.000 2.688 680 F HA 0.662 5.191 4.527 0.004 0.000 0.308 680 F C -1.299 174.614 175.800 0.187 0.000 1.117 680 F CA -1.700 56.354 58.000 0.090 0.000 0.976 680 F CB 1.621 40.669 39.000 0.081 0.000 1.291 680 F HN 0.409 nan 8.300 nan 0.000 0.439 681 D N 2.907 123.606 120.400 0.497 0.000 2.473 681 D HA 0.268 4.910 4.640 0.003 0.000 0.226 681 D C -1.390 175.229 176.300 0.533 0.000 1.089 681 D CA -0.033 54.190 54.000 0.371 0.000 0.883 681 D CB 0.543 41.449 40.800 0.177 0.000 1.029 681 D HN 0.515 nan 8.370 nan 0.000 0.517 682 F N 2.142 122.315 119.950 0.371 0.000 2.399 682 F HA 0.498 5.027 4.527 0.003 0.000 0.328 682 F C -0.112 175.580 175.800 -0.179 0.000 1.084 682 F CA -0.666 57.330 58.000 -0.007 0.000 1.053 682 F CB 1.356 40.306 39.000 -0.084 0.000 1.209 682 F HN 0.074 nan 8.300 nan 0.000 0.502 683 E N 4.002 123.510 120.200 -1.153 0.000 2.246 683 E HA 0.424 4.776 4.350 0.003 0.000 0.266 683 E C -2.094 173.923 176.600 -0.972 0.000 0.880 683 E CA -0.709 55.168 56.400 -0.870 0.000 0.762 683 E CB 1.560 30.674 29.700 -0.977 0.000 1.180 683 E HN 0.623 nan 8.360 nan 0.000 0.416 684 L N 5.764 126.714 121.223 -0.455 0.000 2.264 684 L HA 0.470 4.812 4.340 0.003 0.000 0.289 684 L C -1.200 175.581 176.870 -0.149 0.000 1.044 684 L CA -0.389 54.317 54.840 -0.223 0.000 0.807 684 L CB 0.636 42.699 42.059 0.006 0.000 1.192 684 L HN 0.542 nan 8.230 nan 0.000 0.425 685 I N 3.191 123.686 120.570 -0.124 0.000 2.498 685 I HA 0.292 4.464 4.170 0.003 0.000 0.301 685 I C -0.282 175.821 176.117 -0.023 0.000 0.984 685 I CA -0.596 60.666 61.300 -0.064 0.000 1.204 685 I CB 1.582 39.537 38.000 -0.075 0.000 1.362 685 I HN 0.516 nan 8.210 nan 0.000 0.471 686 D N 3.985 124.383 120.400 -0.004 0.000 2.467 686 D HA 0.219 4.861 4.640 0.003 0.000 0.220 686 D C 0.401 176.703 176.300 0.003 0.000 1.103 686 D CA -0.221 53.782 54.000 0.004 0.000 0.886 686 D CB 0.954 41.764 40.800 0.017 0.000 1.025 686 D HN 0.363 nan 8.370 nan 0.000 0.514 687 Q N 1.567 121.365 119.800 -0.004 0.000 2.403 687 Q HA 0.341 4.683 4.340 0.003 0.000 0.203 687 Q C -0.113 175.886 176.000 -0.001 0.000 0.932 687 Q CA 0.062 55.861 55.803 -0.007 0.000 0.945 687 Q CB 0.659 29.387 28.738 -0.016 0.000 1.045 687 Q HN 0.543 nan 8.270 nan 0.000 0.511 688 A N -1.547 121.275 122.820 0.003 0.000 2.475 688 A HA 0.733 5.055 4.320 0.003 0.000 0.281 688 A C 0.425 178.015 177.584 0.010 0.000 1.263 688 A CA -0.376 51.664 52.037 0.005 0.000 0.776 688 A CB 0.552 19.555 19.000 0.005 0.000 1.347 688 A HN 0.111 nan 8.150 nan 0.000 0.443 689 G N 0.066 108.873 108.800 0.011 0.000 3.452 689 G HA2 0.381 4.343 3.960 0.003 0.000 0.258 689 G HA3 0.381 4.343 3.960 0.003 0.000 0.258 689 G C 0.781 175.692 174.900 0.019 0.000 1.305 689 G CA -0.039 45.071 45.100 0.017 0.000 1.514 689 G HN 0.544 nan 8.290 nan 0.000 0.593 690 L N 0.401 121.634 121.223 0.016 0.000 1.976 690 L HA 0.025 4.367 4.340 0.003 0.000 0.223 690 L C 1.674 178.558 176.870 0.023 0.000 1.081 690 L CA 1.774 56.622 54.840 0.015 0.000 0.784 690 L CB -0.760 41.303 42.059 0.008 0.000 0.896 690 L HN 0.538 nan 8.230 nan 0.000 0.438 691 G N -3.303 105.518 108.800 0.035 0.000 2.440 691 G HA2 -0.174 3.788 3.960 0.003 0.000 0.684 691 G HA3 -0.174 3.788 3.960 0.003 0.000 0.684 691 G C -0.168 174.778 174.900 0.077 0.000 1.309 691 G CA -0.006 45.131 45.100 0.061 0.000 0.931 691 G HN 0.323 nan 8.290 nan 0.000 0.612 692 H N 0.319 119.403 119.070 0.023 0.000 2.321 692 H HA -0.027 4.531 4.556 0.003 0.000 0.300 692 H C 2.412 177.754 175.328 0.023 0.000 1.087 692 H CA 2.939 59.002 56.048 0.026 0.000 1.319 692 H CB 0.094 29.876 29.762 0.033 0.000 1.379 692 H HN 0.568 nan 8.280 nan 0.000 0.501 693 E N 0.824 120.999 120.200 -0.041 0.000 2.033 693 E HA -0.171 4.181 4.350 0.003 0.000 0.199 693 E C 2.229 178.757 176.600 -0.120 0.000 1.011 693 E CA 1.717 58.060 56.400 -0.095 0.000 0.815 693 E CB -0.138 29.569 29.700 0.011 0.000 0.755 693 E HN 0.501 nan 8.360 nan 0.000 0.451 694 K N 0.101 120.464 120.400 -0.061 0.000 2.148 694 K HA -0.034 4.288 4.320 0.003 0.000 0.204 694 K C 2.181 178.741 176.600 -0.067 0.000 1.050 694 K CA 0.622 56.879 56.287 -0.050 0.000 0.942 694 K CB -0.167 32.321 32.500 -0.021 0.000 0.724 694 K HN 0.114 nan 8.250 nan 0.000 0.446 695 L N 0.974 122.147 121.223 -0.084 0.000 2.093 695 L HA -0.188 4.154 4.340 0.003 0.000 0.208 695 L C 1.938 178.741 176.870 -0.112 0.000 1.085 695 L CA 1.446 56.241 54.840 -0.075 0.000 0.755 695 L CB -0.443 41.587 42.059 -0.049 0.000 0.904 695 L HN 0.269 nan 8.230 nan 0.000 0.435 696 T N -0.642 113.783 114.554 -0.216 0.000 2.674 696 T HA -0.258 4.094 4.350 0.003 0.000 0.265 696 T C 1.768 176.402 174.700 -0.109 0.000 1.039 696 T CA 1.499 63.477 62.100 -0.203 0.000 1.150 696 T CB -0.176 68.504 68.868 -0.314 0.000 0.864 696 T HN 0.420 nan 8.240 nan 0.000 0.427 697 Q N 0.544 120.286 119.800 -0.098 0.000 2.096 697 Q HA -0.064 4.278 4.340 0.003 0.000 0.204 697 Q C 2.700 178.673 176.000 -0.045 0.000 0.982 697 Q CA 1.449 57.214 55.803 -0.063 0.000 0.850 697 Q CB -0.338 28.368 28.738 -0.053 0.000 0.901 697 Q HN 0.562 nan 8.270 nan 0.000 0.422 698 A N 1.190 123.985 122.820 -0.042 0.000 1.933 698 A HA -0.211 4.111 4.320 0.003 0.000 0.218 698 A C 2.024 179.596 177.584 -0.020 0.000 1.175 698 A CA 1.387 53.410 52.037 -0.025 0.000 0.628 698 A CB -0.494 18.496 19.000 -0.015 0.000 0.814 698 A HN 0.236 nan 8.150 nan 0.000 0.444 699 R N -0.247 120.239 120.500 -0.024 0.000 2.075 699 R HA -0.153 4.189 4.340 0.003 0.000 0.232 699 R C 1.686 177.974 176.300 -0.019 0.000 1.126 699 R CA 1.699 57.793 56.100 -0.010 0.000 0.963 699 R CB -0.331 29.961 30.300 -0.012 0.000 0.858 699 R HN 0.504 nan 8.270 nan 0.000 0.435 700 N N 0.926 119.608 118.700 -0.029 0.000 2.120 700 N HA -0.220 4.522 4.740 0.003 0.000 0.188 700 N C 1.689 177.183 175.510 -0.027 0.000 1.024 700 N CA 1.229 54.262 53.050 -0.028 0.000 0.852 700 N CB -0.381 38.086 38.487 -0.033 0.000 1.003 700 N HN 0.398 nan 8.380 nan 0.000 0.424 701 Q N 0.026 119.809 119.800 -0.029 0.000 2.135 701 Q HA -0.120 4.222 4.340 0.003 0.000 0.204 701 Q C 1.915 177.893 176.000 -0.037 0.000 0.981 701 Q CA 1.012 56.798 55.803 -0.028 0.000 0.856 701 Q CB -0.061 28.661 28.738 -0.027 0.000 0.902 701 Q HN 0.207 nan 8.270 nan 0.000 0.425 702 L N 0.232 121.429 121.223 -0.045 0.000 2.072 702 L HA -0.096 4.247 4.340 0.003 0.000 0.205 702 L C 1.980 178.804 176.870 -0.078 0.000 1.079 702 L CA 1.381 56.175 54.840 -0.076 0.000 0.752 702 L CB -0.268 41.742 42.059 -0.082 0.000 0.906 702 L HN 0.258 nan 8.230 nan 0.000 0.436 703 L N -0.917 120.277 121.223 -0.048 0.000 2.141 703 L HA -0.132 4.210 4.340 0.003 0.000 0.209 703 L C 2.633 179.490 176.870 -0.021 0.000 1.094 703 L CA 0.960 55.779 54.840 -0.034 0.000 0.763 703 L CB -0.890 41.158 42.059 -0.019 0.000 0.908 703 L HN 0.338 nan 8.230 nan 0.000 0.437 704 A N 0.007 122.816 122.820 -0.019 0.000 1.877 704 A HA -0.181 4.141 4.320 0.003 0.000 0.216 704 A C 2.208 179.797 177.584 0.008 0.000 1.186 704 A CA 1.468 53.501 52.037 -0.007 0.000 0.620 704 A CB -0.296 18.698 19.000 -0.010 0.000 0.822 704 A HN 0.360 nan 8.150 nan 0.000 0.443 705 E N 0.167 120.366 120.200 -0.002 0.000 2.106 705 E HA -0.096 4.256 4.350 0.003 0.000 0.192 705 E C 2.308 178.944 176.600 0.060 0.000 0.984 705 E CA 1.162 57.580 56.400 0.031 0.000 0.806 705 E CB -0.805 28.880 29.700 -0.025 0.000 0.750 705 E HN 0.573 nan 8.360 nan 0.000 0.458 706 A N 1.890 124.698 122.820 -0.020 0.000 1.908 706 A HA -0.129 4.193 4.320 0.003 0.000 0.218 706 A C 2.448 180.067 177.584 0.057 0.000 1.181 706 A CA 2.233 54.257 52.037 -0.022 0.000 0.627 706 A CB -0.660 18.312 19.000 -0.047 0.000 0.818 706 A HN 0.277 nan 8.150 nan 0.000 0.445 707 A N -0.539 122.309 122.820 0.045 0.000 2.070 707 A HA -0.084 4.238 4.320 0.003 0.000 0.220 707 A C 1.774 179.393 177.584 0.058 0.000 1.159 707 A CA 1.542 53.605 52.037 0.043 0.000 0.656 707 A CB -0.337 18.676 19.000 0.021 0.000 0.800 707 A HN 0.530 nan 8.150 nan 0.000 0.453 708 K N -0.394 120.067 120.400 0.101 0.000 2.551 708 K HA 0.124 4.446 4.320 0.003 0.000 0.204 708 K C -0.641 175.943 176.600 -0.026 0.000 1.033 708 K CA 0.167 56.484 56.287 0.051 0.000 1.187 708 K CB -0.044 32.481 32.500 0.042 0.000 0.900 708 K HN 0.587 nan 8.250 nan 0.000 0.499 709 H N -1.743 117.317 119.070 -0.017 0.000 3.038 709 H HA 0.139 4.697 4.556 0.003 0.000 0.223 709 H C -2.330 172.994 175.328 -0.007 0.000 1.400 709 H CA -1.397 54.641 56.048 -0.016 0.000 1.153 709 H CB 0.620 30.368 29.762 -0.023 0.000 2.234 709 H HN 0.041 nan 8.280 nan 0.000 0.541 710 P HA -0.158 nan 4.420 nan 0.000 0.226 710 P C 1.083 178.408 177.300 0.041 0.000 1.146 710 P CA 1.170 64.297 63.100 0.046 0.000 0.773 710 P CB 0.313 32.025 31.700 0.020 0.000 0.772 711 D N -0.109 120.315 120.400 0.041 0.000 2.178 711 D HA -0.168 4.474 4.640 0.003 0.000 0.201 711 D C 1.481 177.806 176.300 0.041 0.000 0.980 711 D CA 1.449 55.468 54.000 0.032 0.000 0.842 711 D CB -0.517 40.297 40.800 0.023 0.000 0.948 711 D HN 0.352 nan 8.370 nan 0.000 0.472 712 M N -2.495 117.142 119.600 0.061 0.000 2.204 712 M HA 0.325 4.807 4.480 0.003 0.000 0.407 712 M C -0.871 175.468 176.300 0.065 0.000 0.920 712 M CA -0.399 54.931 55.300 0.051 0.000 1.037 712 M CB 1.046 33.669 32.600 0.037 0.000 2.010 712 M HN -0.191 nan 8.290 nan 0.000 0.674 713 L N 2.182 123.452 121.223 0.079 0.000 2.353 713 L HA 0.619 4.961 4.340 0.003 0.000 0.270 713 L C -0.724 176.196 176.870 0.082 0.000 1.003 713 L CA 0.155 55.052 54.840 0.094 0.000 0.862 713 L CB 1.806 43.899 42.059 0.057 0.000 1.221 713 L HN 0.277 nan 8.230 nan 0.000 0.430 714 T N 1.537 116.136 114.554 0.074 0.000 2.792 714 T HA 0.430 4.782 4.350 0.003 0.000 0.280 714 T C 0.333 175.032 174.700 -0.003 0.000 0.990 714 T CA 0.155 62.274 62.100 0.033 0.000 0.960 714 T CB 0.783 69.663 68.868 0.020 0.000 0.939 714 T HN 0.652 nan 8.240 nan 0.000 0.439 715 S N 2.965 118.662 115.700 -0.005 0.000 3.706 715 S HA -0.144 4.328 4.470 0.003 0.000 0.363 715 S C 0.079 174.643 174.600 -0.060 0.000 0.999 715 S CA 0.483 58.664 58.200 -0.032 0.000 1.143 715 S CB -2.079 61.091 63.200 -0.051 0.000 0.902 715 S HN 1.772 nan 8.310 nan 0.000 0.476 716 V N 1.879 121.783 119.914 -0.018 0.000 2.488 716 V HA 0.818 4.940 4.120 0.003 0.000 0.277 716 V C 0.137 176.220 176.094 -0.019 0.000 1.046 716 V CA 0.142 62.436 62.300 -0.009 0.000 0.986 716 V CB 1.051 32.926 31.823 0.087 0.000 0.989 716 V HN 0.711 nan 8.190 nan 0.000 0.475 717 R N 4.511 124.989 120.500 -0.036 0.000 2.817 717 R HA 0.752 5.095 4.340 0.003 0.000 0.268 717 R C -3.105 173.189 176.300 -0.010 0.000 1.027 717 R CA -1.978 54.106 56.100 -0.027 0.000 0.928 717 R CB 1.829 32.098 30.300 -0.051 0.000 1.228 717 R HN 0.469 nan 8.270 nan 0.000 0.469 718 P HA 0.115 nan 4.420 nan 0.000 0.281 718 P C -0.823 176.475 177.300 -0.003 0.000 1.249 718 P CA -0.389 62.720 63.100 0.014 0.000 0.810 718 P CB 1.174 32.886 31.700 0.020 0.000 1.008 719 N N 0.433 119.134 118.700 0.002 0.000 2.299 719 N HA 0.086 4.828 4.740 0.003 0.000 0.187 719 N C 1.040 176.554 175.510 0.007 0.000 1.099 719 N CA 0.097 53.140 53.050 -0.011 0.000 0.867 719 N CB -0.064 38.415 38.487 -0.013 0.000 0.974 719 N HN 0.493 nan 8.380 nan 0.000 0.477 720 G N -0.332 108.482 108.800 0.023 0.000 2.582 720 G HA2 0.513 4.475 3.960 0.003 0.000 0.232 720 G HA3 0.513 4.475 3.960 0.003 0.000 0.232 720 G C -0.561 174.363 174.900 0.039 0.000 1.458 720 G CA -0.430 44.692 45.100 0.037 0.000 1.062 720 G HN 0.146 nan 8.290 nan 0.000 0.566 721 L N -0.709 120.546 121.223 0.054 0.000 2.301 721 L HA 0.507 4.849 4.340 0.003 0.000 0.264 721 L C -0.484 176.433 176.870 0.079 0.000 1.016 721 L CA -1.042 53.832 54.840 0.056 0.000 0.821 721 L CB 2.055 44.144 42.059 0.050 0.000 1.346 721 L HN 0.306 nan 8.230 nan 0.000 0.429 722 E N 0.351 120.598 120.200 0.080 0.000 2.250 722 E HA 0.259 4.611 4.350 0.003 0.000 0.269 722 E C -1.191 175.492 176.600 0.138 0.000 1.018 722 E CA -0.730 55.731 56.400 0.102 0.000 0.873 722 E CB 1.015 30.763 29.700 0.081 0.000 1.134 722 E HN 0.339 nan 8.360 nan 0.000 0.403 723 D N 0.707 121.223 120.400 0.194 0.000 2.362 723 D HA 0.208 4.851 4.640 0.003 0.000 0.238 723 D C 0.169 176.649 176.300 0.299 0.000 1.212 723 D CA 0.498 54.652 54.000 0.258 0.000 0.902 723 D CB 0.555 41.564 40.800 0.348 0.000 1.180 723 D HN 0.444 nan 8.370 nan 0.000 0.445 724 T N -3.144 111.538 114.554 0.213 0.000 2.843 724 T HA 0.579 4.931 4.350 0.003 0.000 0.302 724 T C -3.010 171.432 174.700 -0.430 0.000 1.232 724 T CA -2.044 60.059 62.100 0.004 0.000 1.009 724 T CB 1.565 70.427 68.868 -0.010 0.000 1.254 724 T HN -0.075 nan 8.240 nan 0.000 0.504 725 P HA 0.291 nan 4.420 nan 0.000 0.267 725 P C -0.815 176.377 177.300 -0.179 0.000 1.200 725 P CA -0.115 62.554 63.100 -0.718 0.000 0.772 725 P CB 0.273 31.560 31.700 -0.688 0.000 0.855 726 Q N 0.815 120.642 119.800 0.045 0.000 2.389 726 Q HA 0.460 4.802 4.340 0.003 0.000 0.277 726 Q C -1.349 174.876 176.000 0.374 0.000 1.082 726 Q CA -0.723 55.195 55.803 0.191 0.000 0.810 726 Q CB 2.072 30.856 28.738 0.077 0.000 1.374 726 Q HN 0.335 nan 8.270 nan 0.000 0.422 727 F N 2.517 122.537 119.950 0.116 0.000 2.335 727 F HA 0.308 4.837 4.527 0.004 0.000 0.365 727 F C -0.268 175.418 175.800 -0.190 0.000 1.122 727 F CA -0.608 57.283 58.000 -0.182 0.000 1.151 727 F CB 0.473 39.288 39.000 -0.308 0.000 1.282 727 F HN 0.216 nan 8.300 nan 0.000 0.513 728 K N 7.406 127.512 120.400 -0.490 0.000 2.262 728 K HA 0.415 4.737 4.320 0.003 0.000 0.282 728 K C -1.320 174.966 176.600 -0.522 0.000 1.066 728 K CA -0.227 55.840 56.287 -0.365 0.000 0.901 728 K CB 0.535 32.902 32.500 -0.220 0.000 1.089 728 K HN 0.766 nan 8.250 nan 0.000 0.476 729 I N 3.793 124.166 120.570 -0.327 0.000 2.389 729 I HA 0.320 4.492 4.170 0.003 0.000 0.288 729 I C -1.047 175.004 176.117 -0.110 0.000 0.999 729 I CA -0.577 60.570 61.300 -0.255 0.000 1.129 729 I CB 1.120 39.037 38.000 -0.139 0.000 1.288 729 I HN 0.657 nan 8.210 nan 0.000 0.444 730 D N 8.459 128.804 120.400 -0.093 0.000 2.198 730 D HA 0.335 4.977 4.640 0.003 0.000 0.245 730 D C -0.301 176.012 176.300 0.022 0.000 1.079 730 D CA -0.266 53.713 54.000 -0.036 0.000 0.854 730 D CB 2.316 43.087 40.800 -0.048 0.000 1.148 730 D HN 0.279 nan 8.370 nan 0.000 0.456 731 I N 1.748 122.346 120.570 0.047 0.000 2.353 731 I HA 0.083 4.256 4.170 0.003 0.000 0.293 731 I C 0.601 176.748 176.117 0.050 0.000 0.992 731 I CA -0.275 61.078 61.300 0.088 0.000 1.268 731 I CB 1.076 39.119 38.000 0.071 0.000 1.387 731 I HN 0.236 nan 8.210 nan 0.000 0.478 732 D N 6.775 127.219 120.400 0.073 0.000 2.456 732 D HA 0.081 4.723 4.640 0.003 0.000 0.219 732 D C 1.049 177.352 176.300 0.006 0.000 1.126 732 D CA -0.350 53.672 54.000 0.037 0.000 0.890 732 D CB 1.106 41.934 40.800 0.047 0.000 1.025 732 D HN 0.393 nan 8.370 nan 0.000 0.511 733 Q N 2.290 122.080 119.800 -0.017 0.000 2.062 733 Q HA -0.248 4.094 4.340 0.003 0.000 0.209 733 Q C 1.558 177.533 176.000 -0.041 0.000 0.996 733 Q CA 1.466 57.244 55.803 -0.043 0.000 0.859 733 Q CB -0.096 28.623 28.738 -0.031 0.000 0.920 733 Q HN 0.685 nan 8.270 nan 0.000 0.415 734 E N 0.651 120.839 120.200 -0.021 0.000 2.049 734 E HA -0.256 4.096 4.350 0.003 0.000 0.198 734 E C 2.011 178.602 176.600 -0.015 0.000 1.007 734 E CA 1.662 58.052 56.400 -0.017 0.000 0.809 734 E CB 0.042 29.737 29.700 -0.008 0.000 0.749 734 E HN 0.034 nan 8.360 nan 0.000 0.450 735 K N 0.731 121.132 120.400 0.002 0.000 2.020 735 K HA -0.154 4.168 4.320 0.003 0.000 0.212 735 K C 1.815 178.414 176.600 -0.002 0.000 1.050 735 K CA 1.843 58.143 56.287 0.022 0.000 0.929 735 K CB -0.768 31.772 32.500 0.067 0.000 0.714 735 K HN 0.208 nan 8.250 nan 0.000 0.443 736 A N 0.584 123.370 122.820 -0.057 0.000 1.908 736 A HA -0.256 4.066 4.320 0.003 0.000 0.218 736 A C 2.188 179.687 177.584 -0.143 0.000 1.181 736 A CA 1.961 53.876 52.037 -0.203 0.000 0.627 736 A CB -0.650 18.145 19.000 -0.343 0.000 0.818 736 A HN 0.569 nan 8.150 nan 0.000 0.445 737 Q N -0.875 118.869 119.800 -0.093 0.000 2.030 737 Q HA -0.172 4.170 4.340 0.003 0.000 0.204 737 Q C 2.481 178.453 176.000 -0.047 0.000 0.986 737 Q CA 1.620 57.383 55.803 -0.067 0.000 0.843 737 Q CB -0.404 28.306 28.738 -0.046 0.000 0.904 737 Q HN 0.693 nan 8.270 nan 0.000 0.420 738 A N 0.645 123.447 122.820 -0.030 0.000 1.972 738 A HA -0.146 4.176 4.320 0.003 0.000 0.219 738 A C 1.977 179.553 177.584 -0.013 0.000 1.169 738 A CA 1.094 53.121 52.037 -0.016 0.000 0.635 738 A CB -0.561 18.436 19.000 -0.004 0.000 0.810 738 A HN 0.309 nan 8.150 nan 0.000 0.446 739 L N -1.503 119.709 121.223 -0.018 0.000 2.313 739 L HA 0.096 4.439 4.340 0.003 0.000 0.214 739 L C 1.667 178.520 176.870 -0.027 0.000 1.119 739 L CA 0.647 55.483 54.840 -0.007 0.000 0.809 739 L CB -0.471 41.596 42.059 0.014 0.000 0.933 739 L HN 0.613 nan 8.230 nan 0.000 0.449 740 G N 1.086 109.854 108.800 -0.054 0.000 2.171 740 G HA2 -0.219 3.743 3.960 0.003 0.000 0.238 740 G HA3 -0.219 3.743 3.960 0.003 0.000 0.238 740 G C 0.087 174.938 174.900 -0.081 0.000 1.039 740 G CA 0.180 45.248 45.100 -0.054 0.000 0.759 740 G HN 0.269 nan 8.290 nan 0.000 0.501 741 V N -1.848 117.976 119.914 -0.150 0.000 2.370 741 V HA 0.856 4.978 4.120 0.003 0.000 0.283 741 V C 0.749 176.704 176.094 -0.232 0.000 1.023 741 V CA -0.286 61.888 62.300 -0.210 0.000 0.857 741 V CB 1.340 32.942 31.823 -0.369 0.000 0.985 741 V HN 1.216 nan 8.190 nan 0.000 0.443 742 S N 3.555 119.163 115.700 -0.152 0.000 2.558 742 S HA 0.184 4.656 4.470 0.003 0.000 0.288 742 S C 0.882 175.384 174.600 -0.163 0.000 1.318 742 S CA -0.129 57.998 58.200 -0.123 0.000 1.056 742 S CB 0.230 63.390 63.200 -0.066 0.000 0.853 742 S HN 0.698 nan 8.310 nan 0.000 0.505 743 I N 4.441 124.934 120.570 -0.130 0.000 2.928 743 I HA -0.013 4.159 4.170 0.003 0.000 0.266 743 I C 2.108 178.188 176.117 -0.061 0.000 1.234 743 I CA 0.679 61.905 61.300 -0.123 0.000 1.483 743 I CB -0.429 37.521 38.000 -0.084 0.000 1.097 743 I HN 0.587 nan 8.210 nan 0.000 0.455 744 N N 0.513 119.190 118.700 -0.038 0.000 2.207 744 N HA -0.117 4.625 4.740 0.003 0.000 0.182 744 N C 1.327 176.847 175.510 0.017 0.000 1.020 744 N CA 1.085 54.135 53.050 0.000 0.000 0.858 744 N CB -0.152 38.337 38.487 0.004 0.000 0.991 744 N HN 0.297 nan 8.380 nan 0.000 0.427 745 D N 1.099 121.498 120.400 -0.002 0.000 2.178 745 D HA -0.017 4.625 4.640 0.003 0.000 0.202 745 D C 2.066 178.402 176.300 0.061 0.000 0.974 745 D CA 0.371 54.390 54.000 0.032 0.000 0.841 745 D CB -0.014 40.794 40.800 0.014 0.000 0.953 745 D HN 0.290 nan 8.370 nan 0.000 0.478 746 I N 1.051 121.612 120.570 -0.015 0.000 2.202 746 I HA -0.241 3.931 4.170 0.003 0.000 0.242 746 I C 1.901 178.141 176.117 0.206 0.000 1.091 746 I CA 0.796 62.102 61.300 0.010 0.000 1.368 746 I CB -0.116 37.753 38.000 -0.218 0.000 1.058 746 I HN -0.084 nan 8.210 nan 0.000 0.410 747 N N 0.209 118.982 118.700 0.122 0.000 2.188 747 N HA -0.117 4.625 4.740 0.003 0.000 0.184 747 N C 1.823 177.413 175.510 0.133 0.000 1.018 747 N CA 1.524 54.656 53.050 0.136 0.000 0.858 747 N CB -0.623 37.914 38.487 0.083 0.000 0.989 747 N HN 0.252 nan 8.380 nan 0.000 0.426 748 T N 0.110 114.733 114.554 0.116 0.000 2.821 748 T HA -0.082 4.270 4.350 0.003 0.000 0.267 748 T C 1.995 176.768 174.700 0.122 0.000 1.046 748 T CA 1.754 63.919 62.100 0.108 0.000 1.139 748 T CB -0.384 68.538 68.868 0.090 0.000 0.871 748 T HN 0.531 nan 8.240 nan 0.000 0.454 749 T N 0.550 115.210 114.554 0.176 0.000 2.985 749 T HA 0.080 4.432 4.350 0.003 0.000 0.266 749 T C 1.894 176.663 174.700 0.115 0.000 1.076 749 T CA 0.412 62.627 62.100 0.192 0.000 1.135 749 T CB -0.393 68.686 68.868 0.353 0.000 0.890 749 T HN 0.151 nan 8.240 nan 0.000 0.480 750 L N 2.106 123.444 121.223 0.191 0.000 2.007 750 L HA 0.366 4.708 4.340 0.003 0.000 0.205 750 L C 2.716 179.613 176.870 0.046 0.000 1.073 750 L CA 2.135 56.987 54.840 0.020 0.000 0.744 750 L CB -1.225 40.887 42.059 0.088 0.000 0.898 750 L HN 0.324 nan 8.230 nan 0.000 0.435 751 G N -1.203 107.637 108.800 0.067 0.000 2.408 751 G HA2 -0.174 3.788 3.960 0.003 0.000 0.217 751 G HA3 -0.174 3.788 3.960 0.003 0.000 0.217 751 G C 1.567 176.509 174.900 0.070 0.000 1.150 751 G CA 0.755 45.897 45.100 0.071 0.000 0.776 751 G HN 0.636 nan 8.290 nan 0.000 0.542 752 A N 1.282 124.133 122.820 0.051 0.000 1.877 752 A HA 0.261 4.583 4.320 0.003 0.000 0.216 752 A C 2.813 180.370 177.584 -0.045 0.000 1.186 752 A CA 2.346 54.404 52.037 0.036 0.000 0.620 752 A CB -0.843 18.182 19.000 0.042 0.000 0.822 752 A HN 0.743 nan 8.150 nan 0.000 0.443 753 A N -1.856 120.840 122.820 -0.206 0.000 1.898 753 A HA -0.057 4.265 4.320 0.003 0.000 0.216 753 A C 1.832 179.139 177.584 -0.461 0.000 1.181 753 A CA 1.405 53.121 52.037 -0.535 0.000 0.620 753 A CB -0.683 17.433 19.000 -1.473 0.000 0.819 753 A HN 0.739 nan 8.150 nan 0.000 0.442 754 W N -1.438 119.690 121.300 -0.287 0.000 2.996 754 W HA 0.360 5.022 4.660 0.003 0.000 0.270 754 W C 2.095 178.567 176.519 -0.079 0.000 1.280 754 W CA 0.455 57.697 57.345 -0.172 0.000 1.549 754 W CB -0.059 29.274 29.460 -0.210 0.000 1.079 754 W HN 0.326 nan 8.180 nan 0.000 0.629 755 G N -0.808 108.065 108.800 0.121 0.000 2.759 755 G HA2 0.453 4.415 3.960 0.003 0.000 0.208 755 G HA3 0.453 4.415 3.960 0.003 0.000 0.208 755 G C 0.599 175.552 174.900 0.089 0.000 1.076 755 G CA 0.349 45.505 45.100 0.095 0.000 0.789 755 G HN 0.350 nan 8.290 nan 0.000 0.546 756 G N -1.033 107.824 108.800 0.095 0.000 2.675 756 G HA2 0.324 4.286 3.960 0.003 0.000 0.686 756 G HA3 0.324 4.286 3.960 0.003 0.000 0.686 756 G C -0.624 174.413 174.900 0.229 0.000 1.215 756 G CA 0.064 45.243 45.100 0.132 0.000 0.777 756 G HN 1.137 nan 8.290 nan 0.000 0.638 757 S N -0.387 115.505 115.700 0.320 0.000 2.619 757 S HA 0.554 5.026 4.470 0.003 0.000 0.280 757 S C -0.827 173.959 174.600 0.310 0.000 1.150 757 S CA -0.540 57.842 58.200 0.303 0.000 0.978 757 S CB 1.136 64.435 63.200 0.165 0.000 1.041 757 S HN 1.682 nan 8.310 nan 0.000 0.485 758 Y N 6.858 127.167 120.300 0.014 0.000 2.613 758 Y HA 0.357 4.909 4.550 0.004 0.000 0.354 758 Y C 0.810 176.596 175.900 -0.191 0.000 1.063 758 Y CA -0.430 57.420 58.100 -0.417 0.000 1.384 758 Y CB -0.437 37.804 38.460 -0.365 0.000 1.199 758 Y HN 0.457 nan 8.280 nan 0.000 0.517 759 V N 4.790 124.594 119.914 -0.182 0.000 2.231 759 V HA -0.135 3.987 4.120 0.003 0.000 0.240 759 V C 0.508 176.395 176.094 -0.344 0.000 1.039 759 V CA 1.990 64.175 62.300 -0.192 0.000 0.998 759 V CB -0.637 31.150 31.823 -0.060 0.000 0.639 759 V HN 0.833 nan 8.190 nan 0.000 0.451 760 N N -1.595 116.942 118.700 -0.272 0.000 3.378 760 N HA 0.233 4.975 4.740 0.003 0.000 0.294 760 N C -1.925 173.598 175.510 0.022 0.000 1.544 760 N CA -0.797 52.114 53.050 -0.232 0.000 0.872 760 N CB 0.598 39.035 38.487 -0.084 0.000 1.670 760 N HN 0.070 nan 8.380 nan 0.000 0.551 761 D N -0.868 119.594 120.400 0.103 0.000 2.326 761 D HA 0.616 5.258 4.640 0.003 0.000 0.251 761 D C -0.521 175.972 176.300 0.322 0.000 1.023 761 D CA -0.063 54.075 54.000 0.230 0.000 0.966 761 D CB 1.294 42.173 40.800 0.133 0.000 1.156 761 D HN 0.525 nan 8.370 nan 0.000 0.494 762 F N -1.573 118.460 119.950 0.138 0.000 2.726 762 F HA 0.607 5.136 4.527 0.003 0.000 0.324 762 F C -1.581 174.289 175.800 0.118 0.000 1.140 762 F CA -1.163 56.937 58.000 0.168 0.000 0.964 762 F CB 1.175 40.384 39.000 0.348 0.000 1.399 762 F HN -0.014 nan 8.300 nan 0.000 0.491 763 I N 2.010 122.497 120.570 -0.139 0.000 2.362 763 I HA 0.268 4.440 4.170 0.003 0.000 0.289 763 I C -1.335 174.659 176.117 -0.205 0.000 0.994 763 I CA -0.244 60.907 61.300 -0.248 0.000 1.158 763 I CB 0.889 38.864 38.000 -0.041 0.000 1.315 763 I HN 0.633 nan 8.210 nan 0.000 0.451 764 D N 6.769 126.959 120.400 -0.350 0.000 2.441 764 D HA 0.411 5.053 4.640 0.003 0.000 0.231 764 D C 0.017 176.319 176.300 0.003 0.000 1.073 764 D CA -0.365 53.608 54.000 -0.044 0.000 0.850 764 D CB 0.553 41.340 40.800 -0.023 0.000 1.062 764 D HN 0.402 nan 8.370 nan 0.000 0.524 765 R N 3.141 123.676 120.500 0.059 0.000 3.264 765 R HA -0.134 4.208 4.340 0.003 0.000 0.251 765 R C 1.179 177.484 176.300 0.009 0.000 0.971 765 R CA 0.819 56.949 56.100 0.049 0.000 0.658 765 R CB -1.830 28.514 30.300 0.074 0.000 1.095 765 R HN 0.877 nan 8.270 nan 0.000 0.443 766 G N -0.796 108.000 108.800 -0.007 0.000 2.205 766 G HA2 -0.427 3.535 3.960 0.003 0.000 0.261 766 G HA3 -0.427 3.535 3.960 0.003 0.000 0.261 766 G C 0.190 175.057 174.900 -0.055 0.000 0.980 766 G CA 0.543 45.628 45.100 -0.025 0.000 0.632 766 G HN 0.593 nan 8.290 nan 0.000 0.533 767 R N -0.002 120.449 120.500 -0.082 0.000 2.514 767 R HA 0.640 4.982 4.340 0.003 0.000 0.301 767 R C -0.007 176.184 176.300 -0.181 0.000 0.962 767 R CA -0.509 55.525 56.100 -0.111 0.000 0.882 767 R CB 1.776 32.016 30.300 -0.101 0.000 1.143 767 R HN 0.322 nan 8.270 nan 0.000 0.452 768 V N 4.777 124.602 119.914 -0.150 0.000 2.572 768 V HA 0.232 4.354 4.120 0.003 0.000 0.291 768 V C -0.639 175.334 176.094 -0.201 0.000 1.039 768 V CA 0.670 62.866 62.300 -0.173 0.000 1.055 768 V CB 0.562 32.335 31.823 -0.083 0.000 0.969 768 V HN 0.835 nan 8.190 nan 0.000 0.482 769 K N 4.601 124.811 120.400 -0.318 0.000 2.469 769 K HA 0.566 4.888 4.320 0.003 0.000 0.268 769 K C -1.097 175.515 176.600 0.019 0.000 1.027 769 K CA -1.085 55.080 56.287 -0.204 0.000 0.893 769 K CB 2.258 34.578 32.500 -0.300 0.000 1.460 769 K HN 0.546 nan 8.250 nan 0.000 0.449 770 K N 0.570 121.067 120.400 0.162 0.000 2.090 770 K HA 0.472 4.794 4.320 0.003 0.000 0.250 770 K C -0.760 176.057 176.600 0.361 0.000 1.004 770 K CA -0.731 55.705 56.287 0.249 0.000 0.919 770 K CB 1.194 33.617 32.500 -0.129 0.000 1.045 770 K HN 0.101 nan 8.250 nan 0.000 0.471 771 V N 2.463 122.502 119.914 0.207 0.000 2.483 771 V HA 0.289 4.412 4.120 0.003 0.000 0.297 771 V C -1.406 174.631 176.094 -0.095 0.000 1.027 771 V CA -0.804 61.500 62.300 0.006 0.000 0.855 771 V CB 0.667 32.501 31.823 0.017 0.000 0.995 771 V HN 0.569 nan 8.190 nan 0.000 0.424 772 Y N 2.878 123.125 120.300 -0.089 0.000 2.468 772 Y HA 0.716 5.268 4.550 0.004 0.000 0.342 772 Y C -0.011 175.764 175.900 -0.208 0.000 1.021 772 Y CA -0.779 57.269 58.100 -0.087 0.000 1.079 772 Y CB 2.358 40.758 38.460 -0.101 0.000 1.226 772 Y HN 0.361 nan 8.280 nan 0.000 0.460 773 V N 5.011 124.985 119.914 0.099 0.000 2.495 773 V HA 0.606 4.728 4.120 0.003 0.000 0.298 773 V C -0.419 175.696 176.094 0.036 0.000 1.031 773 V CA -0.725 61.575 62.300 0.001 0.000 0.871 773 V CB 1.593 33.439 31.823 0.039 0.000 0.988 773 V HN 0.851 nan 8.190 nan 0.000 0.432 774 M N 2.832 122.436 119.600 0.006 0.000 2.643 774 M HA 0.427 4.909 4.480 0.003 0.000 0.276 774 M C -0.556 175.911 176.300 0.278 0.000 1.200 774 M CA -0.256 55.113 55.300 0.114 0.000 0.863 774 M CB 2.365 35.070 32.600 0.176 0.000 1.711 774 M HN 0.657 nan 8.290 nan 0.000 0.492 775 S N 1.360 117.173 115.700 0.188 0.000 2.572 775 S HA 0.120 4.592 4.470 0.003 0.000 0.279 775 S C -0.314 174.501 174.600 0.358 0.000 1.341 775 S CA -0.140 58.232 58.200 0.287 0.000 1.043 775 S CB 0.603 63.855 63.200 0.087 0.000 0.887 775 S HN 0.706 nan 8.310 nan 0.000 0.516 776 E N 2.490 122.910 120.200 0.366 0.000 2.398 776 E HA 0.297 4.649 4.350 0.003 0.000 0.263 776 E C 1.355 177.868 176.600 -0.144 0.000 1.046 776 E CA 0.175 56.616 56.400 0.067 0.000 0.908 776 E CB 0.722 30.526 29.700 0.173 0.000 0.963 776 E HN 0.767 nan 8.360 nan 0.000 0.431 777 A N 5.667 128.217 122.820 -0.449 0.000 1.896 777 A HA -0.310 4.013 4.320 0.003 0.000 0.220 777 A C 1.842 179.227 177.584 -0.333 0.000 1.206 777 A CA 2.276 54.075 52.037 -0.396 0.000 0.647 777 A CB -0.579 18.153 19.000 -0.447 0.000 0.828 777 A HN 0.830 nan 8.150 nan 0.000 0.455 778 K N -1.500 118.654 120.400 -0.410 0.000 2.127 778 K HA -0.248 4.074 4.320 0.003 0.000 0.212 778 K C 1.548 177.799 176.600 -0.581 0.000 1.050 778 K CA 2.264 58.212 56.287 -0.564 0.000 0.929 778 K CB -0.511 31.471 32.500 -0.863 0.000 0.715 778 K HN 0.782 nan 8.250 nan 0.000 0.457 779 Y N 0.518 120.737 120.300 -0.135 0.000 2.466 779 Y HA 0.077 4.629 4.550 0.004 0.000 0.272 779 Y C 1.112 176.869 175.900 -0.238 0.000 1.169 779 Y CA -0.136 57.903 58.100 -0.102 0.000 1.285 779 Y CB 0.158 38.586 38.460 -0.054 0.000 1.078 779 Y HN 0.083 nan 8.280 nan 0.000 0.523 780 R N -1.370 118.904 120.500 -0.377 0.000 2.734 780 R HA 0.348 4.690 4.340 0.003 0.000 0.395 780 R C 0.065 176.137 176.300 -0.380 0.000 1.096 780 R CA -0.015 55.474 56.100 -1.019 0.000 1.071 780 R CB -0.199 29.442 30.300 -1.098 0.000 1.348 780 R HN 0.172 nan 8.270 nan 0.000 0.600 781 M N 0.267 119.780 119.600 -0.145 0.000 2.449 781 M HA 0.417 4.899 4.480 0.003 0.000 0.262 781 M C -0.605 175.727 176.300 0.054 0.000 1.152 781 M CA 0.527 55.803 55.300 -0.040 0.000 1.104 781 M CB 0.842 33.380 32.600 -0.104 0.000 1.416 781 M HN 0.270 nan 8.290 nan 0.000 0.519 782 L N -0.885 120.403 121.223 0.108 0.000 2.354 782 L HA 0.426 4.768 4.340 0.003 0.000 0.264 782 L C -1.812 175.107 176.870 0.082 0.000 1.008 782 L CA -1.942 52.954 54.840 0.093 0.000 0.819 782 L CB 1.556 43.653 42.059 0.063 0.000 1.339 782 L HN -0.167 nan 8.230 nan 0.000 0.420 783 P HA -0.168 nan 4.420 nan 0.000 0.216 783 P C 0.449 177.685 177.300 -0.105 0.000 1.150 783 P CA 1.237 64.167 63.100 -0.283 0.000 0.843 783 P CB 0.223 31.856 31.700 -0.111 0.000 0.787 784 D N -1.252 119.164 120.400 0.026 0.000 2.348 784 D HA -0.089 4.553 4.640 0.003 0.000 0.216 784 D C 1.097 177.470 176.300 0.121 0.000 0.970 784 D CA 0.767 54.804 54.000 0.063 0.000 0.889 784 D CB -0.527 40.311 40.800 0.063 0.000 0.912 784 D HN 0.184 nan 8.370 nan 0.000 0.524 785 D N 0.444 120.966 120.400 0.203 0.000 2.310 785 D HA -0.078 4.564 4.640 0.003 0.000 0.212 785 D C 2.099 178.714 176.300 0.525 0.000 0.965 785 D CA 0.055 54.259 54.000 0.341 0.000 0.879 785 D CB 0.110 41.144 40.800 0.390 0.000 0.921 785 D HN 0.201 nan 8.370 nan 0.000 0.510 786 I N 0.808 121.577 120.570 0.332 0.000 2.208 786 I HA -0.151 4.021 4.170 0.003 0.000 0.245 786 I C 2.287 178.521 176.117 0.195 0.000 1.097 786 I CA 1.213 62.597 61.300 0.140 0.000 1.363 786 I CB -1.271 36.599 38.000 -0.216 0.000 1.051 786 I HN 0.016 nan 8.210 nan 0.000 0.413 787 G N -0.032 108.848 108.800 0.133 0.000 2.848 787 G HA2 -0.135 3.827 3.960 0.003 0.000 0.208 787 G HA3 -0.135 3.827 3.960 0.003 0.000 0.208 787 G C 0.921 175.866 174.900 0.076 0.000 1.152 787 G CA 0.164 45.306 45.100 0.069 0.000 0.789 787 G HN 0.318 nan 8.290 nan 0.000 0.531 788 D N -0.648 119.858 120.400 0.177 0.000 2.350 788 D HA 0.071 4.713 4.640 0.003 0.000 0.213 788 D C 0.103 176.477 176.300 0.123 0.000 1.031 788 D CA -0.204 53.875 54.000 0.131 0.000 0.861 788 D CB 0.173 40.983 40.800 0.017 0.000 0.926 788 D HN 0.381 nan 8.370 nan 0.000 0.520 789 W N 0.600 122.061 121.300 0.268 0.000 2.351 789 W HA 0.393 5.055 4.660 0.003 0.000 0.311 789 W C -0.230 176.522 176.519 0.388 0.000 1.168 789 W CA -0.611 56.958 57.345 0.374 0.000 1.200 789 W CB 0.454 30.105 29.460 0.319 0.000 1.221 789 W HN -0.193 nan 8.180 nan 0.000 0.519 790 Y N 2.543 123.101 120.300 0.430 0.000 2.393 790 Y HA 0.522 5.074 4.550 0.003 0.000 0.341 790 Y C 0.408 176.517 175.900 0.348 0.000 0.988 790 Y CA -1.553 56.746 58.100 0.331 0.000 1.078 790 Y CB 1.409 39.970 38.460 0.169 0.000 1.203 790 Y HN 0.195 nan 8.280 nan 0.000 0.453 791 V N 0.537 120.703 119.914 0.420 0.000 2.881 791 V HA 0.661 4.783 4.120 0.003 0.000 0.316 791 V C -0.671 175.551 176.094 0.214 0.000 1.070 791 V CA -1.309 61.163 62.300 0.288 0.000 0.976 791 V CB 1.901 33.829 31.823 0.176 0.000 1.038 791 V HN 0.839 nan 8.190 nan 0.000 0.446 792 R N 1.896 122.482 120.500 0.144 0.000 2.338 792 R HA 0.773 5.115 4.340 0.003 0.000 0.317 792 R C 0.002 176.334 176.300 0.053 0.000 0.968 792 R CA 0.044 56.209 56.100 0.108 0.000 0.849 792 R CB 1.361 31.721 30.300 0.100 0.000 1.128 792 R HN 1.198 nan 8.270 nan 0.000 0.448 793 A N 3.096 125.944 122.820 0.046 0.000 2.287 793 A HA 0.489 4.811 4.320 0.003 0.000 0.273 793 A C 1.162 178.754 177.584 0.013 0.000 1.091 793 A CA 0.174 52.218 52.037 0.012 0.000 0.817 793 A CB 0.559 19.568 19.000 0.015 0.000 1.069 793 A HN 1.013 nan 8.150 nan 0.000 0.492 794 A N 0.640 123.459 122.820 -0.001 0.000 1.892 794 A HA -0.218 4.104 4.320 0.003 0.000 0.218 794 A C 1.467 179.058 177.584 0.011 0.000 1.188 794 A CA 2.316 54.355 52.037 0.002 0.000 0.631 794 A CB -0.889 18.107 19.000 -0.006 0.000 0.822 794 A HN 0.928 nan 8.150 nan 0.000 0.447 795 D N -1.848 118.559 120.400 0.012 0.000 2.392 795 D HA 0.214 4.856 4.640 0.003 0.000 0.228 795 D C 1.194 177.508 176.300 0.024 0.000 1.003 795 D CA 1.158 55.167 54.000 0.016 0.000 0.917 795 D CB -0.792 40.018 40.800 0.016 0.000 0.890 795 D HN 1.033 nan 8.370 nan 0.000 0.532 796 G N -0.502 108.316 108.800 0.030 0.000 2.175 796 G HA2 -0.276 3.686 3.960 0.003 0.000 0.244 796 G HA3 -0.276 3.686 3.960 0.003 0.000 0.244 796 G C 0.007 174.937 174.900 0.050 0.000 0.982 796 G CA -0.061 45.062 45.100 0.039 0.000 0.641 796 G HN 0.460 nan 8.290 nan 0.000 0.527 797 Q N 0.075 119.908 119.800 0.054 0.000 2.259 797 Q HA 0.583 4.925 4.340 0.003 0.000 0.246 797 Q C 0.364 176.428 176.000 0.106 0.000 0.920 797 Q CA -0.376 55.470 55.803 0.071 0.000 0.895 797 Q CB 0.749 29.526 28.738 0.065 0.000 1.220 797 Q HN 0.225 nan 8.270 nan 0.000 0.439 798 M N 2.411 122.094 119.600 0.138 0.000 2.146 798 M HA 0.291 4.773 4.480 0.003 0.000 0.357 798 M C -0.702 175.779 176.300 0.301 0.000 1.261 798 M CA -0.427 55.013 55.300 0.234 0.000 1.106 798 M CB 0.737 33.467 32.600 0.218 0.000 1.612 798 M HN 0.277 nan 8.290 nan 0.000 0.470 799 V N 6.588 126.672 119.914 0.283 0.000 2.448 799 V HA 0.457 4.579 4.120 0.003 0.000 0.295 799 V C -2.058 174.048 176.094 0.020 0.000 1.025 799 V CA -1.562 60.853 62.300 0.192 0.000 0.859 799 V CB 1.883 33.853 31.823 0.246 0.000 0.988 799 V HN 0.642 nan 8.190 nan 0.000 0.431 800 P HA 0.163 nan 4.420 nan 0.000 0.275 800 P C 0.755 177.730 177.300 -0.541 0.000 1.227 800 P CA -0.186 62.441 63.100 -0.788 0.000 0.781 800 P CB 1.002 32.198 31.700 -0.840 0.000 0.906 801 F N 2.292 121.920 119.950 -0.537 0.000 2.147 801 F HA -0.279 4.251 4.527 0.004 0.000 0.301 801 F C 2.555 177.805 175.800 -0.916 0.000 1.084 801 F CA 2.750 60.297 58.000 -0.754 0.000 1.268 801 F CB -0.564 38.304 39.000 -0.221 0.000 1.009 801 F HN 0.346 nan 8.300 nan 0.000 0.486 802 S N -0.595 114.896 115.700 -0.349 0.000 2.500 802 S HA -0.075 4.397 4.470 0.003 0.000 0.239 802 S C 1.917 176.329 174.600 -0.313 0.000 0.989 802 S CA 0.606 58.649 58.200 -0.262 0.000 0.951 802 S CB -0.630 62.483 63.200 -0.145 0.000 0.759 802 S HN 0.313 nan 8.310 nan 0.000 0.523 803 A N 1.072 123.617 122.820 -0.459 0.000 2.072 803 A HA 0.380 4.703 4.320 0.003 0.000 0.216 803 A C 1.366 178.866 177.584 -0.140 0.000 1.156 803 A CA 0.459 52.353 52.037 -0.239 0.000 0.701 803 A CB -0.502 18.428 19.000 -0.117 0.000 0.816 803 A HN 0.855 nan 8.150 nan 0.000 0.458 804 F N -1.002 118.895 119.950 -0.089 0.000 2.775 804 F HA 0.469 4.998 4.527 0.003 0.000 0.313 804 F C 0.235 175.986 175.800 -0.080 0.000 1.121 804 F CA -0.220 57.722 58.000 -0.097 0.000 1.206 804 F CB -0.242 38.674 39.000 -0.140 0.000 1.052 804 F HN 0.075 nan 8.300 nan 0.000 0.524 805 S N 0.444 116.083 115.700 -0.102 0.000 2.627 805 S HA 0.882 5.354 4.470 0.003 0.000 0.283 805 S C -0.607 173.962 174.600 -0.053 0.000 1.127 805 S CA -0.132 58.061 58.200 -0.011 0.000 0.863 805 S CB 1.951 65.185 63.200 0.058 0.000 1.121 805 S HN 0.535 nan 8.310 nan 0.000 0.479 806 S N 0.057 115.719 115.700 -0.063 0.000 2.541 806 S HA 0.870 5.342 4.470 0.003 0.000 0.271 806 S C -0.668 173.815 174.600 -0.194 0.000 1.133 806 S CA -0.413 57.722 58.200 -0.109 0.000 0.876 806 S CB 1.253 64.400 63.200 -0.088 0.000 1.105 806 S HN 1.784 nan 8.310 nan 0.000 0.470 807 S N 0.796 116.324 115.700 -0.287 0.000 2.667 807 S HA 0.974 5.446 4.470 0.003 0.000 0.292 807 S C -0.843 173.449 174.600 -0.515 0.000 1.126 807 S CA -1.150 56.719 58.200 -0.551 0.000 0.881 807 S CB 1.713 64.340 63.200 -0.956 0.000 1.132 807 S HN 1.387 nan 8.310 nan 0.000 0.492 808 R N -0.892 119.208 120.500 -0.667 0.000 2.664 808 R HA 0.448 4.790 4.340 0.003 0.000 0.260 808 R C -2.008 174.032 176.300 -0.434 0.000 1.062 808 R CA -0.933 54.906 56.100 -0.435 0.000 0.902 808 R CB 0.130 30.308 30.300 -0.204 0.000 1.258 808 R HN 0.693 nan 8.270 nan 0.000 0.465 809 W N 1.407 122.626 121.300 -0.135 0.000 2.126 809 W HA 0.392 5.055 4.660 0.004 0.000 0.346 809 W C 0.543 177.022 176.519 -0.067 0.000 1.279 809 W CA 0.403 57.697 57.345 -0.086 0.000 1.259 809 W CB 0.894 30.340 29.460 -0.023 0.000 1.133 809 W HN 0.659 nan 8.180 nan 0.000 0.592 810 E N 0.610 120.964 120.200 0.256 0.000 2.416 810 E HA 0.240 4.592 4.350 0.003 0.000 0.280 810 E C -2.113 174.534 176.600 0.079 0.000 1.055 810 E CA -0.807 55.689 56.400 0.159 0.000 0.825 810 E CB 1.257 31.006 29.700 0.083 0.000 1.312 810 E HN 0.403 nan 8.360 nan 0.000 0.452 811 Y N -0.196 120.160 120.300 0.092 0.000 2.420 811 Y HA 0.737 5.289 4.550 0.003 0.000 0.334 811 Y C 0.628 176.572 175.900 0.074 0.000 1.094 811 Y CA 0.515 58.663 58.100 0.079 0.000 1.126 811 Y CB 2.417 40.916 38.460 0.065 0.000 1.217 811 Y HN 0.623 nan 8.280 nan 0.000 0.462 812 G N 0.304 109.213 108.800 0.180 0.000 2.576 812 G HA2 0.372 4.334 3.960 0.003 0.000 0.290 812 G HA3 0.372 4.334 3.960 0.003 0.000 0.290 812 G C -1.712 173.220 174.900 0.055 0.000 1.442 812 G CA -0.892 44.268 45.100 0.100 0.000 0.792 812 G HN 0.522 nan 8.290 nan 0.000 0.491 813 S N -0.097 115.554 115.700 -0.080 0.000 2.586 813 S HA 0.653 5.125 4.470 0.003 0.000 0.274 813 S C -1.223 173.346 174.600 -0.050 0.000 1.281 813 S CA -1.158 56.980 58.200 -0.105 0.000 1.035 813 S CB 1.725 64.703 63.200 -0.370 0.000 0.962 813 S HN 0.400 nan 8.310 nan 0.000 0.512 814 P HA 0.195 nan 4.420 nan 0.000 0.252 814 P C -0.201 177.101 177.300 0.003 0.000 1.211 814 P CA 0.191 63.293 63.100 0.004 0.000 0.824 814 P CB 0.261 31.973 31.700 0.021 0.000 1.077 815 R N 0.488 120.988 120.500 0.000 0.000 2.531 815 R HA 0.456 4.798 4.340 0.003 0.000 0.293 815 R C -1.501 174.804 176.300 0.008 0.000 1.124 815 R CA -0.428 55.679 56.100 0.011 0.000 0.945 815 R CB 0.552 30.869 30.300 0.028 0.000 1.195 815 R HN -0.110 nan 8.270 nan 0.000 0.433 816 L N 4.161 125.384 121.223 -0.001 0.000 2.264 816 L HA 0.428 4.771 4.340 0.003 0.000 0.289 816 L C -0.149 176.748 176.870 0.044 0.000 1.044 816 L CA -0.511 54.334 54.840 0.009 0.000 0.807 816 L CB 1.697 43.745 42.059 -0.019 0.000 1.192 816 L HN 0.615 nan 8.230 nan 0.000 0.425 817 E N 4.079 124.319 120.200 0.067 0.000 2.216 817 E HA 0.542 4.894 4.350 0.003 0.000 0.279 817 E C -0.840 175.808 176.600 0.080 0.000 0.997 817 E CA -0.699 55.745 56.400 0.073 0.000 0.817 817 E CB 1.567 31.311 29.700 0.074 0.000 1.096 817 E HN 0.438 nan 8.360 nan 0.000 0.393 818 R N 1.846 122.397 120.500 0.085 0.000 2.744 818 R HA 0.454 4.796 4.340 0.003 0.000 0.279 818 R C -1.504 174.876 176.300 0.133 0.000 0.977 818 R CA -0.985 55.167 56.100 0.087 0.000 0.906 818 R CB 1.689 32.020 30.300 0.051 0.000 1.197 818 R HN 0.516 nan 8.270 nan 0.000 0.463 819 Y N 1.902 122.190 120.300 -0.020 0.000 2.373 819 Y HA 0.195 4.747 4.550 0.003 0.000 0.336 819 Y C -0.403 175.480 175.900 -0.029 0.000 0.979 819 Y CA -0.953 57.127 58.100 -0.034 0.000 1.080 819 Y CB 1.377 39.790 38.460 -0.078 0.000 1.190 819 Y HN 0.698 nan 8.280 nan 0.000 0.446 820 N N 4.017 122.431 118.700 -0.478 0.000 2.710 820 N HA -0.218 4.524 4.740 0.003 0.000 0.249 820 N C 0.932 176.372 175.510 -0.116 0.000 1.059 820 N CA 1.830 54.707 53.050 -0.289 0.000 0.720 820 N CB -1.100 37.241 38.487 -0.243 0.000 0.983 820 N HN 1.379 nan 8.380 nan 0.000 0.544 821 G N -1.997 106.755 108.800 -0.081 0.000 2.179 821 G HA2 -0.307 3.655 3.960 0.003 0.000 0.260 821 G HA3 -0.307 3.655 3.960 0.003 0.000 0.260 821 G C 0.002 174.898 174.900 -0.006 0.000 0.977 821 G CA 0.596 45.675 45.100 -0.035 0.000 0.641 821 G HN 0.416 nan 8.290 nan 0.000 0.533 822 L N 0.441 121.669 121.223 0.009 0.000 2.330 822 L HA 0.509 4.851 4.340 0.003 0.000 0.271 822 L C -2.216 174.682 176.870 0.047 0.000 1.013 822 L CA -2.514 52.342 54.840 0.026 0.000 0.816 822 L CB 2.011 44.084 42.059 0.023 0.000 1.287 822 L HN -0.181 nan 8.230 nan 0.000 0.435 823 P HA 0.078 nan 4.420 nan 0.000 0.268 823 P C -0.923 176.411 177.300 0.058 0.000 1.205 823 P CA 0.028 63.164 63.100 0.060 0.000 0.771 823 P CB 0.950 32.687 31.700 0.063 0.000 0.858 824 S N 2.191 117.931 115.700 0.066 0.000 2.688 824 S HA 0.824 5.296 4.470 0.003 0.000 0.275 824 S C -1.142 173.480 174.600 0.037 0.000 1.175 824 S CA -0.855 57.368 58.200 0.038 0.000 0.818 824 S CB 1.303 64.535 63.200 0.053 0.000 1.157 824 S HN 0.252 nan 8.310 nan 0.000 0.482 825 M N 1.334 120.931 119.600 -0.006 0.000 2.206 825 M HA 0.383 4.865 4.480 0.003 0.000 0.272 825 M C -0.994 175.292 176.300 -0.023 0.000 1.012 825 M CA -0.120 55.186 55.300 0.011 0.000 0.986 825 M CB 2.326 34.942 32.600 0.027 0.000 1.740 825 M HN 0.911 nan 8.290 nan 0.000 0.472 826 E N 3.677 123.868 120.200 -0.014 0.000 2.373 826 E HA 0.456 4.808 4.350 0.003 0.000 0.267 826 E C -1.309 175.317 176.600 0.044 0.000 1.032 826 E CA 0.018 56.403 56.400 -0.024 0.000 0.889 826 E CB 0.971 30.662 29.700 -0.015 0.000 0.984 826 E HN 0.561 nan 8.360 nan 0.000 0.425 827 I N 4.919 125.558 120.570 0.116 0.000 2.512 827 I HA 0.194 4.366 4.170 0.003 0.000 0.287 827 I C -1.141 175.086 176.117 0.184 0.000 1.069 827 I CA -0.902 60.502 61.300 0.173 0.000 1.056 827 I CB 1.227 39.401 38.000 0.290 0.000 1.229 827 I HN 0.376 nan 8.210 nan 0.000 0.429 828 L N 4.755 125.996 121.223 0.031 0.000 2.344 828 L HA 0.943 5.285 4.340 0.003 0.000 0.272 828 L C 0.437 177.110 176.870 -0.328 0.000 1.035 828 L CA -0.164 54.598 54.840 -0.129 0.000 0.807 828 L CB 1.707 43.674 42.059 -0.153 0.000 1.237 828 L HN 0.764 nan 8.230 nan 0.000 0.442 829 G N 1.084 109.385 108.800 -0.832 0.000 2.489 829 G HA2 0.553 4.516 3.960 0.003 0.000 0.291 829 G HA3 0.553 4.516 3.960 0.003 0.000 0.291 829 G C -1.800 172.409 174.900 -1.151 0.000 1.487 829 G CA -0.495 44.026 45.100 -0.965 0.000 0.795 829 G HN 0.379 nan 8.290 nan 0.000 0.513 830 Q N -0.769 118.752 119.800 -0.465 0.000 2.359 830 Q HA 0.791 5.133 4.340 0.003 0.000 0.275 830 Q C 0.087 176.114 176.000 0.046 0.000 1.082 830 Q CA -0.368 55.315 55.803 -0.201 0.000 0.849 830 Q CB 2.271 30.935 28.738 -0.123 0.000 1.377 830 Q HN 1.069 nan 8.270 nan 0.000 0.452 831 A N 0.790 123.662 122.820 0.086 0.000 2.331 831 A HA 0.729 5.051 4.320 0.003 0.000 0.283 831 A C -0.223 177.392 177.584 0.051 0.000 1.142 831 A CA -0.168 51.933 52.037 0.106 0.000 0.812 831 A CB 0.229 19.280 19.000 0.085 0.000 1.074 831 A HN 0.783 nan 8.150 nan 0.000 0.497 832 A N 3.763 126.613 122.820 0.049 0.000 2.577 832 A HA 0.357 4.679 4.320 0.003 0.000 0.233 832 A C -1.000 176.595 177.584 0.019 0.000 1.076 832 A CA -0.196 51.859 52.037 0.031 0.000 0.767 832 A CB -0.645 18.374 19.000 0.032 0.000 1.017 832 A HN 0.666 nan 8.150 nan 0.000 0.511 833 P HA -0.184 nan 4.420 nan 0.000 0.218 833 P C 1.222 178.524 177.300 0.002 0.000 1.152 833 P CA 2.258 65.361 63.100 0.006 0.000 0.857 833 P CB 0.129 31.832 31.700 0.005 0.000 0.787 834 G N -3.104 105.698 108.800 0.004 0.000 3.159 834 G HA2 0.033 3.995 3.960 0.003 0.000 0.232 834 G HA3 0.033 3.995 3.960 0.003 0.000 0.232 834 G C 0.502 175.402 174.900 -0.000 0.000 1.116 834 G CA -0.046 45.053 45.100 -0.001 0.000 0.767 834 G HN 0.125 nan 8.290 nan 0.000 0.547 835 K N 0.642 121.045 120.400 0.005 0.000 2.288 835 K HA 0.595 4.917 4.320 0.003 0.000 0.234 835 K C 0.379 176.981 176.600 0.003 0.000 1.037 835 K CA -0.502 55.788 56.287 0.005 0.000 0.914 835 K CB 1.175 33.682 32.500 0.011 0.000 1.197 835 K HN 0.168 nan 8.250 nan 0.000 0.471 836 S N -1.474 114.225 115.700 -0.003 0.000 2.758 836 S HA 0.293 4.765 4.470 0.003 0.000 0.292 836 S C 0.975 175.572 174.600 -0.005 0.000 1.131 836 S CA -0.447 57.749 58.200 -0.007 0.000 0.997 836 S CB 1.016 64.205 63.200 -0.018 0.000 1.111 836 S HN 0.420 nan 8.310 nan 0.000 0.552 837 T N 0.757 115.303 114.554 -0.014 0.000 2.812 837 T HA 0.104 4.456 4.350 0.003 0.000 0.264 837 T C 2.023 176.664 174.700 -0.099 0.000 1.042 837 T CA 1.424 63.512 62.100 -0.019 0.000 1.140 837 T CB -1.123 67.729 68.868 -0.026 0.000 0.870 837 T HN 0.811 nan 8.240 nan 0.000 0.445 838 G N 1.747 110.483 108.800 -0.107 0.000 2.459 838 G HA2 -0.229 3.733 3.960 0.003 0.000 0.217 838 G HA3 -0.229 3.733 3.960 0.003 0.000 0.217 838 G C 1.403 176.226 174.900 -0.128 0.000 1.183 838 G CA 0.850 45.865 45.100 -0.142 0.000 0.776 838 G HN 0.548 nan 8.290 nan 0.000 0.552 839 E N 0.732 120.884 120.200 -0.081 0.000 2.160 839 E HA -0.049 4.304 4.350 0.003 0.000 0.195 839 E C 2.849 179.396 176.600 -0.087 0.000 0.991 839 E CA 0.753 57.114 56.400 -0.065 0.000 0.810 839 E CB -0.206 29.473 29.700 -0.035 0.000 0.742 839 E HN 0.439 nan 8.360 nan 0.000 0.466 840 A N 1.121 123.886 122.820 -0.092 0.000 1.898 840 A HA -0.158 4.164 4.320 0.003 0.000 0.216 840 A C 2.170 179.580 177.584 -0.290 0.000 1.181 840 A CA 1.312 53.279 52.037 -0.117 0.000 0.620 840 A CB -0.381 18.631 19.000 0.019 0.000 0.819 840 A HN 0.120 nan 8.150 nan 0.000 0.442 841 M N -1.134 118.257 119.600 -0.349 0.000 2.132 841 M HA -0.107 4.375 4.480 0.003 0.000 0.263 841 M C 2.150 178.406 176.300 -0.074 0.000 1.065 841 M CA 1.188 56.258 55.300 -0.383 0.000 1.122 841 M CB -0.337 31.775 32.600 -0.814 0.000 1.365 841 M HN 0.386 nan 8.290 nan 0.000 0.411 842 E N 0.694 120.830 120.200 -0.106 0.000 2.033 842 E HA -0.248 4.104 4.350 0.003 0.000 0.199 842 E C 2.001 178.554 176.600 -0.079 0.000 1.011 842 E CA 1.554 57.924 56.400 -0.050 0.000 0.815 842 E CB -0.477 29.189 29.700 -0.057 0.000 0.755 842 E HN 0.325 nan 8.360 nan 0.000 0.451 843 L N 0.785 121.932 121.223 -0.128 0.000 2.042 843 L HA -0.202 4.141 4.340 0.003 0.000 0.210 843 L C 2.289 179.006 176.870 -0.256 0.000 1.076 843 L CA 1.669 56.400 54.840 -0.182 0.000 0.749 843 L CB -0.520 41.423 42.059 -0.194 0.000 0.893 843 L HN 0.115 nan 8.230 nan 0.000 0.432 844 M N -0.615 118.808 119.600 -0.295 0.000 2.067 844 M HA -0.215 4.267 4.480 0.003 0.000 0.260 844 M C 2.206 178.223 176.300 -0.470 0.000 1.069 844 M CA 1.747 56.764 55.300 -0.472 0.000 1.117 844 M CB -1.148 31.088 32.600 -0.608 0.000 1.334 844 M HN 0.377 nan 8.290 nan 0.000 0.407 845 E N -0.058 119.972 120.200 -0.282 0.000 2.070 845 E HA -0.250 4.102 4.350 0.003 0.000 0.197 845 E C 2.061 178.521 176.600 -0.234 0.000 1.004 845 E CA 1.454 57.657 56.400 -0.329 0.000 0.805 845 E CB -0.225 29.497 29.700 0.037 0.000 0.744 845 E HN 0.622 nan 8.360 nan 0.000 0.451 846 Q N 0.500 120.210 119.800 -0.149 0.000 2.030 846 Q HA -0.166 4.176 4.340 0.003 0.000 0.204 846 Q C 2.430 178.343 176.000 -0.143 0.000 0.986 846 Q CA 1.241 56.979 55.803 -0.109 0.000 0.843 846 Q CB -0.262 28.420 28.738 -0.093 0.000 0.904 846 Q HN 0.288 nan 8.270 nan 0.000 0.420 847 L N 0.390 121.486 121.223 -0.212 0.000 2.127 847 L HA -0.182 4.160 4.340 0.003 0.000 0.211 847 L C 2.459 179.212 176.870 -0.195 0.000 1.089 847 L CA 0.937 55.650 54.840 -0.212 0.000 0.757 847 L CB -0.559 41.329 42.059 -0.285 0.000 0.899 847 L HN 0.233 nan 8.230 nan 0.000 0.434 848 A N -0.247 122.412 122.820 -0.267 0.000 2.066 848 A HA -0.160 4.162 4.320 0.003 0.000 0.218 848 A C 2.517 180.055 177.584 -0.076 0.000 1.157 848 A CA 1.488 53.396 52.037 -0.214 0.000 0.670 848 A CB -0.510 18.229 19.000 -0.434 0.000 0.804 848 A HN 0.509 nan 8.150 nan 0.000 0.453 849 S N -0.173 115.489 115.700 -0.063 0.000 2.402 849 S HA -0.093 4.379 4.470 0.003 0.000 0.229 849 S C 1.459 176.059 174.600 -0.001 0.000 1.021 849 S CA 1.141 59.345 58.200 0.007 0.000 0.974 849 S CB -0.190 63.015 63.200 0.009 0.000 0.800 849 S HN 0.392 nan 8.310 nan 0.000 0.484 850 K N 1.276 121.661 120.400 -0.026 0.000 2.487 850 K HA 0.343 4.665 4.320 0.003 0.000 0.192 850 K C 0.382 176.973 176.600 -0.016 0.000 1.027 850 K CA -0.088 56.187 56.287 -0.019 0.000 1.054 850 K CB -0.551 31.932 32.500 -0.028 0.000 0.824 850 K HN 0.491 nan 8.250 nan 0.000 0.510 851 L N 1.894 123.110 121.223 -0.012 0.000 2.453 851 L HA 0.149 4.491 4.340 0.003 0.000 0.261 851 L C -1.826 175.045 176.870 0.003 0.000 1.179 851 L CA -1.951 52.885 54.840 -0.006 0.000 0.813 851 L CB -0.303 41.758 42.059 0.003 0.000 1.110 851 L HN -0.136 nan 8.230 nan 0.000 0.466 852 P HA -0.038 nan 4.420 nan 0.000 0.267 852 P C -0.490 176.813 177.300 0.006 0.000 1.195 852 P CA 0.051 63.151 63.100 0.000 0.000 0.773 852 P CB 0.206 31.904 31.700 -0.004 0.000 0.837 853 T N 1.397 115.954 114.554 0.005 0.000 2.906 853 T HA 0.303 4.655 4.350 0.003 0.000 0.320 853 T C 1.466 176.170 174.700 0.006 0.000 1.088 853 T CA 1.250 63.355 62.100 0.007 0.000 1.120 853 T CB -0.132 68.739 68.868 0.005 0.000 1.000 853 T HN 0.837 nan 8.240 nan 0.000 0.550 854 G N 0.947 109.751 108.800 0.007 0.000 2.225 854 G HA2 -0.236 3.726 3.960 0.003 0.000 0.254 854 G HA3 -0.236 3.726 3.960 0.003 0.000 0.254 854 G C 0.134 175.038 174.900 0.006 0.000 0.988 854 G CA 0.004 45.107 45.100 0.005 0.000 0.625 854 G HN 0.810 nan 8.290 nan 0.000 0.527 855 V N 1.373 121.295 119.914 0.013 0.000 2.370 855 V HA 0.760 4.882 4.120 0.003 0.000 0.279 855 V C 0.972 177.089 176.094 0.038 0.000 1.029 855 V CA 0.274 62.585 62.300 0.019 0.000 0.870 855 V CB 1.076 32.911 31.823 0.021 0.000 0.984 855 V HN 0.755 nan 8.190 nan 0.000 0.451 856 G N 3.517 112.331 108.800 0.023 0.000 3.107 856 G HA2 0.837 4.799 3.960 0.003 0.000 0.232 856 G HA3 0.837 4.799 3.960 0.003 0.000 0.232 856 G C -1.223 173.707 174.900 0.049 0.000 1.339 856 G CA -0.472 44.646 45.100 0.030 0.000 1.033 856 G HN 0.858 nan 8.290 nan 0.000 0.567 857 Y N -2.328 117.846 120.300 -0.211 0.000 2.818 857 Y HA 0.725 5.277 4.550 0.003 0.000 0.341 857 Y C -1.905 173.704 175.900 -0.485 0.000 1.283 857 Y CA -1.139 56.687 58.100 -0.457 0.000 1.075 857 Y CB 1.637 39.795 38.460 -0.503 0.000 1.370 857 Y HN 0.737 nan 8.280 nan 0.000 0.448 858 D N -0.789 119.178 120.400 -0.722 0.000 2.694 858 D HA 0.360 5.002 4.640 0.003 0.000 0.260 858 D C -2.280 173.621 176.300 -0.665 0.000 1.250 858 D CA -0.489 53.146 54.000 -0.608 0.000 0.763 858 D CB 1.354 41.960 40.800 -0.323 0.000 1.311 858 D HN 0.625 nan 8.370 nan 0.000 0.420 859 W N 0.422 121.661 121.300 -0.101 0.000 2.516 859 W HA 0.668 5.330 4.660 0.003 0.000 0.343 859 W C 0.431 176.906 176.519 -0.073 0.000 1.094 859 W CA -0.423 56.897 57.345 -0.042 0.000 1.250 859 W CB 2.159 31.665 29.460 0.077 0.000 1.308 859 W HN 0.179 nan 8.180 nan 0.000 0.588 860 T N -0.244 114.417 114.554 0.178 0.000 2.754 860 T HA 0.566 4.918 4.350 0.003 0.000 0.296 860 T C 0.552 175.285 174.700 0.056 0.000 1.205 860 T CA 0.396 62.455 62.100 -0.068 0.000 1.009 860 T CB 0.542 69.171 68.868 -0.398 0.000 1.368 860 T HN 1.092 nan 8.240 nan 0.000 0.509 861 G N 2.086 110.870 108.800 -0.026 0.000 2.634 861 G HA2 -0.365 3.597 3.960 0.003 0.000 0.309 861 G HA3 -0.365 3.597 3.960 0.003 0.000 0.309 861 G C 1.323 176.333 174.900 0.184 0.000 1.265 861 G CA 1.542 46.718 45.100 0.128 0.000 0.998 861 G HN 1.379 nan 8.290 nan 0.000 0.551 862 M N -0.801 118.880 119.600 0.135 0.000 2.346 862 M HA 0.039 4.521 4.480 0.003 0.000 0.263 862 M C 2.275 178.640 176.300 0.109 0.000 1.064 862 M CA 3.051 58.415 55.300 0.107 0.000 1.083 862 M CB -0.442 32.198 32.600 0.066 0.000 1.399 862 M HN 0.297 nan 8.290 nan 0.000 0.435 863 S N -0.020 115.772 115.700 0.152 0.000 2.395 863 S HA -0.062 4.410 4.470 0.003 0.000 0.225 863 S C 1.634 176.306 174.600 0.119 0.000 1.027 863 S CA 0.651 58.905 58.200 0.089 0.000 0.965 863 S CB -0.556 62.775 63.200 0.218 0.000 0.812 863 S HN 0.629 nan 8.310 nan 0.000 0.482 864 Y N 2.879 123.242 120.300 0.104 0.000 2.069 864 Y HA -0.331 4.221 4.550 0.003 0.000 0.278 864 Y C 2.308 178.256 175.900 0.081 0.000 1.175 864 Y CA 2.010 60.186 58.100 0.126 0.000 1.134 864 Y CB -0.609 37.959 38.460 0.180 0.000 0.965 864 Y HN 0.299 nan 8.280 nan 0.000 0.498 865 Q N -0.181 119.754 119.800 0.225 0.000 1.948 865 Q HA -0.242 4.100 4.340 0.003 0.000 0.205 865 Q C 2.145 178.134 176.000 -0.018 0.000 0.992 865 Q CA 1.779 57.639 55.803 0.095 0.000 0.849 865 Q CB -0.408 28.393 28.738 0.104 0.000 0.918 865 Q HN 0.446 nan 8.270 nan 0.000 0.421 866 E N 0.625 120.808 120.200 -0.029 0.000 2.172 866 E HA -0.278 4.074 4.350 0.003 0.000 0.213 866 E C 1.931 178.454 176.600 -0.130 0.000 1.051 866 E CA 1.203 57.551 56.400 -0.086 0.000 0.860 866 E CB -0.318 29.307 29.700 -0.126 0.000 0.755 866 E HN 0.259 nan 8.360 nan 0.000 0.462 867 R N -0.139 120.260 120.500 -0.169 0.000 2.143 867 R HA -0.164 4.178 4.340 0.003 0.000 0.239 867 R C 2.550 178.773 176.300 -0.129 0.000 1.126 867 R CA 1.614 57.605 56.100 -0.180 0.000 0.927 867 R CB -0.748 29.450 30.300 -0.170 0.000 0.860 867 R HN 0.299 nan 8.270 nan 0.000 0.433 868 L N -1.709 119.437 121.223 -0.128 0.000 2.614 868 L HA 0.151 4.493 4.340 0.003 0.000 0.185 868 L C 1.524 178.361 176.870 -0.055 0.000 1.098 868 L CA -0.096 54.691 54.840 -0.089 0.000 0.852 868 L CB -0.515 41.484 42.059 -0.101 0.000 1.213 868 L HN 0.052 nan 8.230 nan 0.000 0.491 869 S N 0.101 115.771 115.700 -0.049 0.000 2.658 869 S HA 0.186 4.658 4.470 0.003 0.000 0.249 869 S C 0.860 175.463 174.600 0.005 0.000 1.363 869 S CA 0.393 58.591 58.200 -0.003 0.000 0.964 869 S CB 0.004 63.218 63.200 0.023 0.000 0.973 869 S HN 0.600 nan 8.310 nan 0.000 0.588 870 G N 1.804 110.623 108.800 0.031 0.000 2.334 870 G HA2 -0.256 3.707 3.960 0.003 0.000 0.279 870 G HA3 -0.256 3.707 3.960 0.003 0.000 0.279 870 G C -0.322 174.600 174.900 0.038 0.000 0.918 870 G CA 0.836 45.957 45.100 0.036 0.000 1.314 870 G HN 0.970 nan 8.290 nan 0.000 0.463 871 N N -0.641 118.092 118.700 0.055 0.000 2.545 871 N HA 0.463 5.205 4.740 0.003 0.000 0.289 871 N C 0.073 175.620 175.510 0.061 0.000 1.279 871 N CA -0.839 52.234 53.050 0.039 0.000 0.824 871 N CB 0.841 39.336 38.487 0.012 0.000 1.395 871 N HN 0.132 nan 8.380 nan 0.000 0.526 872 Q N 0.478 120.302 119.800 0.040 0.000 2.247 872 Q HA 0.237 4.579 4.340 0.003 0.000 0.288 872 Q C -0.639 175.359 176.000 -0.004 0.000 1.079 872 Q CA 0.366 56.193 55.803 0.040 0.000 0.932 872 Q CB 0.723 29.478 28.738 0.028 0.000 1.133 872 Q HN 0.606 nan 8.270 nan 0.000 0.377 873 A N 5.187 127.991 122.820 -0.026 0.000 2.674 873 A HA 0.239 4.561 4.320 0.003 0.000 0.286 873 A C -1.487 175.892 177.584 -0.342 0.000 0.980 873 A CA -0.615 51.297 52.037 -0.208 0.000 1.028 873 A CB 0.442 19.235 19.000 -0.345 0.000 1.199 873 A HN 0.457 nan 8.150 nan 0.000 0.499 874 P HA -0.034 nan 4.420 nan 0.000 0.237 874 P C 1.159 178.372 177.300 -0.145 0.000 1.178 874 P CA 0.871 63.869 63.100 -0.171 0.000 0.766 874 P CB 0.257 31.977 31.700 0.033 0.000 0.876 875 S N 0.493 116.101 115.700 -0.154 0.000 2.399 875 S HA -0.078 4.394 4.470 0.003 0.000 0.231 875 S C 1.909 176.437 174.600 -0.120 0.000 1.022 875 S CA 0.874 59.011 58.200 -0.104 0.000 0.983 875 S CB -0.948 62.190 63.200 -0.105 0.000 0.803 875 S HN 0.201 nan 8.310 nan 0.000 0.480 876 L N -0.172 120.897 121.223 -0.258 0.000 2.187 876 L HA -0.142 4.200 4.340 0.003 0.000 0.213 876 L C 1.917 178.791 176.870 0.007 0.000 1.100 876 L CA 1.344 56.048 54.840 -0.226 0.000 0.765 876 L CB -0.452 41.303 42.059 -0.506 0.000 0.904 876 L HN 0.454 nan 8.230 nan 0.000 0.437 877 Y N -1.509 118.751 120.300 -0.066 0.000 2.448 877 Y HA -0.025 4.527 4.550 0.003 0.000 0.289 877 Y C 2.577 178.458 175.900 -0.032 0.000 1.114 877 Y CA -0.035 58.048 58.100 -0.029 0.000 1.235 877 Y CB 0.026 38.481 38.460 -0.008 0.000 1.045 877 Y HN 0.168 nan 8.280 nan 0.000 0.554 878 A N 1.202 124.091 122.820 0.115 0.000 1.873 878 A HA -0.176 4.146 4.320 0.003 0.000 0.215 878 A C 2.089 179.695 177.584 0.037 0.000 1.186 878 A CA 1.686 53.754 52.037 0.052 0.000 0.616 878 A CB -1.064 17.946 19.000 0.017 0.000 0.823 878 A HN 0.604 nan 8.150 nan 0.000 0.442 879 I N -3.134 117.454 120.570 0.029 0.000 2.546 879 I HA -0.070 4.102 4.170 0.003 0.000 0.255 879 I C 2.257 178.405 176.117 0.051 0.000 1.163 879 I CA 1.658 62.974 61.300 0.027 0.000 1.457 879 I CB -0.426 37.575 38.000 0.002 0.000 1.092 879 I HN 0.225 nan 8.210 nan 0.000 0.434 880 S N 2.022 117.767 115.700 0.077 0.000 2.353 880 S HA -0.146 4.326 4.470 0.003 0.000 0.222 880 S C 2.066 176.695 174.600 0.048 0.000 1.035 880 S CA 1.782 60.031 58.200 0.081 0.000 1.025 880 S CB -0.537 62.736 63.200 0.122 0.000 0.902 880 S HN 0.566 nan 8.310 nan 0.000 0.440 881 L N 1.279 122.524 121.223 0.038 0.000 2.012 881 L HA -0.130 4.212 4.340 0.003 0.000 0.210 881 L C 2.530 179.436 176.870 0.060 0.000 1.073 881 L CA 1.073 55.927 54.840 0.023 0.000 0.748 881 L CB -0.745 41.316 42.059 0.003 0.000 0.891 881 L HN 0.353 nan 8.230 nan 0.000 0.431 882 I N -0.001 120.605 120.570 0.060 0.000 2.113 882 I HA -0.290 3.882 4.170 0.003 0.000 0.242 882 I C 2.553 178.775 176.117 0.175 0.000 1.064 882 I CA 1.737 63.098 61.300 0.102 0.000 1.320 882 I CB -1.099 36.942 38.000 0.068 0.000 1.028 882 I HN 0.125 nan 8.210 nan 0.000 0.406 883 V N 0.181 120.159 119.914 0.107 0.000 2.453 883 V HA -0.160 3.962 4.120 0.003 0.000 0.247 883 V C 2.665 178.791 176.094 0.053 0.000 1.048 883 V CA 0.922 63.272 62.300 0.084 0.000 1.049 883 V CB -0.784 31.073 31.823 0.056 0.000 0.672 883 V HN 0.182 nan 8.190 nan 0.000 0.457 884 V N 0.288 120.231 119.914 0.049 0.000 2.324 884 V HA -0.320 3.802 4.120 0.003 0.000 0.250 884 V C 2.240 178.336 176.094 0.003 0.000 1.060 884 V CA 2.713 65.020 62.300 0.011 0.000 1.042 884 V CB -0.866 30.959 31.823 0.003 0.000 0.650 884 V HN 0.596 nan 8.190 nan 0.000 0.450 885 F N 0.789 120.690 119.950 -0.083 0.000 2.046 885 F HA -0.190 4.340 4.527 0.003 0.000 0.297 885 F C 2.019 177.781 175.800 -0.064 0.000 1.123 885 F CA 1.787 59.715 58.000 -0.120 0.000 1.199 885 F CB -0.565 38.343 39.000 -0.153 0.000 0.972 885 F HN 0.035 nan 8.300 nan 0.000 0.474 886 L N -0.268 120.832 121.223 -0.205 0.000 2.556 886 L HA -0.282 4.060 4.340 0.003 0.000 0.230 886 L C 1.834 178.534 176.870 -0.283 0.000 1.163 886 L CA 0.783 55.472 54.840 -0.253 0.000 0.819 886 L CB -0.820 41.274 42.059 0.057 0.000 0.939 886 L HN 0.422 nan 8.230 nan 0.000 0.452 887 C N -1.980 117.167 119.300 -0.255 0.000 3.097 887 C HA 0.148 4.610 4.460 0.003 0.000 0.335 887 C C 2.331 177.146 174.990 -0.292 0.000 1.283 887 C CA -0.512 58.372 59.018 -0.224 0.000 1.778 887 C CB -0.107 27.553 27.740 -0.132 0.000 2.365 887 C HN 0.401 nan 8.230 nan 0.000 0.627 888 L N 1.453 122.485 121.223 -0.317 0.000 2.179 888 L HA 0.001 4.343 4.340 0.003 0.000 0.208 888 L C 2.826 179.463 176.870 -0.388 0.000 1.096 888 L CA 1.327 55.964 54.840 -0.340 0.000 0.779 888 L CB -0.520 41.443 42.059 -0.160 0.000 0.922 888 L HN 0.317 nan 8.230 nan 0.000 0.443 889 A N 0.139 122.658 122.820 -0.502 0.000 1.978 889 A HA -0.173 4.149 4.320 0.003 0.000 0.220 889 A C 2.462 179.744 177.584 -0.503 0.000 1.170 889 A CA 1.793 53.488 52.037 -0.571 0.000 0.636 889 A CB -0.510 17.935 19.000 -0.925 0.000 0.810 889 A HN 0.405 nan 8.150 nan 0.000 0.448 890 A N -0.827 121.729 122.820 -0.440 0.000 1.930 890 A HA 0.145 4.467 4.320 0.003 0.000 0.215 890 A C 2.025 179.429 177.584 -0.300 0.000 1.176 890 A CA 1.357 53.186 52.037 -0.346 0.000 0.632 890 A CB -0.493 18.345 19.000 -0.270 0.000 0.819 890 A HN 0.606 nan 8.150 nan 0.000 0.445 891 L N -1.150 119.844 121.223 -0.382 0.000 2.083 891 L HA -0.109 4.233 4.340 0.003 0.000 0.209 891 L C 1.738 178.371 176.870 -0.395 0.000 1.083 891 L CA 1.869 56.436 54.840 -0.454 0.000 0.752 891 L CB -0.702 40.934 42.059 -0.704 0.000 0.899 891 L HN 0.540 nan 8.230 nan 0.000 0.433 892 Y N -1.542 118.683 120.300 -0.125 0.000 2.467 892 Y HA 0.220 4.772 4.550 0.003 0.000 0.250 892 Y C 0.772 176.597 175.900 -0.126 0.000 1.155 892 Y CA -0.458 57.590 58.100 -0.087 0.000 1.249 892 Y CB 0.337 38.773 38.460 -0.040 0.000 1.146 892 Y HN 0.017 nan 8.280 nan 0.000 0.524 893 E N 1.639 121.781 120.200 -0.096 0.000 2.297 893 E HA -0.226 4.126 4.350 0.003 0.000 0.228 893 E C -0.547 175.944 176.600 -0.182 0.000 1.213 893 E CA 0.954 57.247 56.400 -0.179 0.000 0.712 893 E CB -1.224 28.413 29.700 -0.106 0.000 1.202 893 E HN 0.302 nan 8.360 nan 0.000 0.376 894 S N -1.653 113.915 115.700 -0.220 0.000 2.536 894 S HA 0.514 4.986 4.470 0.003 0.000 0.271 894 S C -0.052 174.425 174.600 -0.206 0.000 1.134 894 S CA -0.576 57.534 58.200 -0.149 0.000 0.897 894 S CB 0.809 64.015 63.200 0.010 0.000 1.094 894 S HN 0.296 nan 8.310 nan 0.000 0.473 895 W N 2.380 123.698 121.300 0.030 0.000 3.290 895 W HA 0.174 4.836 4.660 0.003 0.000 0.287 895 W C 1.836 178.493 176.519 0.229 0.000 1.288 895 W CA 0.296 57.706 57.345 0.108 0.000 1.725 895 W CB 0.517 30.056 29.460 0.133 0.000 1.103 895 W HN 0.843 nan 8.180 nan 0.000 0.670 896 S N -1.621 114.232 115.700 0.256 0.000 2.818 896 S HA 0.060 4.532 4.470 0.003 0.000 0.251 896 S C 1.420 176.170 174.600 0.249 0.000 1.083 896 S CA -0.115 58.174 58.200 0.148 0.000 0.871 896 S CB -0.425 62.355 63.200 -0.699 0.000 0.831 896 S HN 0.128 nan 8.310 nan 0.000 0.470 897 I N 3.593 124.231 120.570 0.114 0.000 2.236 897 I HA -0.113 4.059 4.170 0.003 0.000 0.249 897 I C -0.678 175.550 176.117 0.186 0.000 1.102 897 I CA 1.387 62.740 61.300 0.088 0.000 1.365 897 I CB -1.376 36.604 38.000 -0.033 0.000 1.051 897 I HN 0.292 nan 8.210 nan 0.000 0.420 898 P HA -0.206 nan 4.420 nan 0.000 0.218 898 P C 1.570 178.938 177.300 0.113 0.000 1.146 898 P CA 1.660 64.875 63.100 0.191 0.000 0.813 898 P CB -0.233 31.459 31.700 -0.014 0.000 0.778 899 F N 1.652 121.713 119.950 0.185 0.000 2.216 899 F HA -0.152 4.377 4.527 0.003 0.000 0.300 899 F C 2.720 178.545 175.800 0.042 0.000 1.085 899 F CA 1.888 59.947 58.000 0.098 0.000 1.326 899 F CB -1.230 37.801 39.000 0.051 0.000 1.027 899 F HN 0.040 nan 8.300 nan 0.000 0.497 900 S N -0.737 115.129 115.700 0.277 0.000 2.442 900 S HA -0.108 4.364 4.470 0.003 0.000 0.236 900 S C 1.819 176.588 174.600 0.281 0.000 1.007 900 S CA 1.358 59.731 58.200 0.288 0.000 0.965 900 S CB -0.889 62.561 63.200 0.417 0.000 0.773 900 S HN 0.161 nan 8.310 nan 0.000 0.504 901 V N 1.407 121.456 119.914 0.225 0.000 2.685 901 V HA 0.167 4.289 4.120 0.003 0.000 0.244 901 V C 2.436 178.611 176.094 0.136 0.000 1.054 901 V CA 1.265 63.690 62.300 0.208 0.000 1.076 901 V CB -0.604 31.352 31.823 0.220 0.000 0.725 901 V HN 0.444 nan 8.190 nan 0.000 0.467 902 M N -0.294 119.351 119.600 0.075 0.000 2.476 902 M HA 0.002 4.484 4.480 0.003 0.000 0.262 902 M C 1.864 178.170 176.300 0.009 0.000 1.079 902 M CA 1.419 56.738 55.300 0.031 0.000 1.104 902 M CB -0.291 32.305 32.600 -0.008 0.000 1.409 902 M HN 0.271 nan 8.290 nan 0.000 0.467 903 L N -0.683 120.479 121.223 -0.102 0.000 2.465 903 L HA -0.079 4.263 4.340 0.003 0.000 0.224 903 L C 2.311 179.203 176.870 0.036 0.000 1.145 903 L CA 0.118 54.789 54.840 -0.281 0.000 0.834 903 L CB -0.394 40.945 42.059 -1.200 0.000 0.944 903 L HN 0.145 nan 8.230 nan 0.000 0.451 904 V N -0.631 119.430 119.914 0.244 0.000 2.809 904 V HA -0.180 3.942 4.120 0.003 0.000 0.256 904 V C 2.371 178.603 176.094 0.230 0.000 1.080 904 V CA 1.010 63.555 62.300 0.408 0.000 1.102 904 V CB 0.319 32.337 31.823 0.325 0.000 0.705 904 V HN 0.185 nan 8.190 nan 0.000 0.475 905 V N 1.053 121.045 119.914 0.129 0.000 2.222 905 V HA -0.273 3.849 4.120 0.003 0.000 0.252 905 V C 0.340 176.461 176.094 0.044 0.000 1.060 905 V CA 3.129 65.461 62.300 0.053 0.000 1.027 905 V CB -2.206 29.617 31.823 0.001 0.000 0.644 905 V HN 0.518 nan 8.190 nan 0.000 0.448 906 P HA -0.177 nan 4.420 nan 0.000 0.217 906 P C 1.834 179.144 177.300 0.017 0.000 1.148 906 P CA 1.474 64.561 63.100 -0.022 0.000 0.834 906 P CB -0.179 31.440 31.700 -0.135 0.000 0.783 907 L N -1.630 119.646 121.223 0.088 0.000 2.043 907 L HA -0.168 4.174 4.340 0.003 0.000 0.212 907 L C 2.569 179.498 176.870 0.099 0.000 1.075 907 L CA 2.161 57.071 54.840 0.117 0.000 0.752 907 L CB -1.763 40.416 42.059 0.200 0.000 0.891 907 L HN 0.117 nan 8.230 nan 0.000 0.432 908 G N -0.712 108.137 108.800 0.081 0.000 2.426 908 G HA2 -0.043 3.919 3.960 0.003 0.000 0.214 908 G HA3 -0.043 3.919 3.960 0.003 0.000 0.214 908 G C 1.607 176.535 174.900 0.046 0.000 1.156 908 G CA 0.495 45.632 45.100 0.062 0.000 0.802 908 G HN 0.134 nan 8.290 nan 0.000 0.534 909 V N 1.374 121.306 119.914 0.030 0.000 2.231 909 V HA -0.219 3.903 4.120 0.003 0.000 0.248 909 V C 2.614 178.771 176.094 0.106 0.000 1.054 909 V CA 1.811 64.138 62.300 0.044 0.000 1.015 909 V CB -0.539 31.291 31.823 0.012 0.000 0.638 909 V HN 0.374 nan 8.190 nan 0.000 0.444 910 I N 1.436 122.055 120.570 0.082 0.000 2.151 910 I HA -0.209 3.963 4.170 0.003 0.000 0.243 910 I C 2.290 178.473 176.117 0.109 0.000 1.080 910 I CA 2.128 63.485 61.300 0.096 0.000 1.339 910 I CB -1.123 36.913 38.000 0.061 0.000 1.039 910 I HN 0.244 nan 8.210 nan 0.000 0.409 911 G N -0.425 108.432 108.800 0.095 0.000 2.418 911 G HA2 -0.209 3.753 3.960 0.003 0.000 0.217 911 G HA3 -0.209 3.753 3.960 0.003 0.000 0.217 911 G C 1.718 176.684 174.900 0.110 0.000 1.158 911 G CA 0.872 46.023 45.100 0.086 0.000 0.771 911 G HN 0.658 nan 8.290 nan 0.000 0.545 912 A N 0.709 123.611 122.820 0.137 0.000 1.855 912 A HA 0.111 4.433 4.320 0.003 0.000 0.215 912 A C 2.436 180.243 177.584 0.372 0.000 1.191 912 A CA 1.247 53.411 52.037 0.211 0.000 0.613 912 A CB -0.536 18.524 19.000 0.100 0.000 0.829 912 A HN 0.327 nan 8.150 nan 0.000 0.442 913 L N -0.498 120.952 121.223 0.378 0.000 2.051 913 L HA -0.268 4.074 4.340 0.003 0.000 0.214 913 L C 2.643 179.628 176.870 0.192 0.000 1.076 913 L CA 1.391 56.416 54.840 0.307 0.000 0.758 913 L CB -0.684 41.535 42.059 0.266 0.000 0.890 913 L HN 0.416 nan 8.230 nan 0.000 0.433 914 L N -0.552 120.768 121.223 0.161 0.000 1.955 914 L HA -0.260 4.082 4.340 0.003 0.000 0.213 914 L C 2.909 179.862 176.870 0.139 0.000 1.072 914 L CA 1.518 56.424 54.840 0.110 0.000 0.755 914 L CB -0.851 41.200 42.059 -0.014 0.000 0.888 914 L HN 0.264 nan 8.230 nan 0.000 0.432 915 A N -0.169 122.720 122.820 0.115 0.000 1.917 915 A HA -0.246 4.076 4.320 0.003 0.000 0.219 915 A C 2.501 180.184 177.584 0.166 0.000 1.182 915 A CA 2.087 54.203 52.037 0.131 0.000 0.633 915 A CB -0.869 18.200 19.000 0.115 0.000 0.819 915 A HN 0.471 nan 8.150 nan 0.000 0.448 916 A N -1.147 121.773 122.820 0.166 0.000 1.877 916 A HA -0.101 4.221 4.320 0.003 0.000 0.216 916 A C 2.339 179.956 177.584 0.055 0.000 1.186 916 A CA 2.389 54.473 52.037 0.079 0.000 0.620 916 A CB -1.372 17.579 19.000 -0.083 0.000 0.822 916 A HN 0.441 nan 8.150 nan 0.000 0.443 917 T N -0.620 113.992 114.554 0.097 0.000 2.652 917 T HA -0.116 4.236 4.350 0.003 0.000 0.267 917 T C 1.366 176.153 174.700 0.146 0.000 1.039 917 T CA 1.622 63.786 62.100 0.107 0.000 1.153 917 T CB -0.419 68.560 68.868 0.184 0.000 0.863 917 T HN 0.359 nan 8.240 nan 0.000 0.428 918 F N 0.965 120.925 119.950 0.016 0.000 2.771 918 F HA 0.171 4.699 4.527 0.003 0.000 0.299 918 F C 2.285 178.098 175.800 0.021 0.000 1.177 918 F CA 0.368 58.382 58.000 0.024 0.000 1.450 918 F CB -0.062 38.961 39.000 0.038 0.000 1.114 918 F HN -0.081 nan 8.300 nan 0.000 0.587 919 R N -0.924 119.669 120.500 0.155 0.000 2.476 919 R HA 0.246 4.588 4.340 0.003 0.000 0.276 919 R C 1.477 177.803 176.300 0.044 0.000 0.941 919 R CA 0.705 56.862 56.100 0.095 0.000 1.088 919 R CB 0.433 30.792 30.300 0.098 0.000 1.216 919 R HN 0.277 nan 8.270 nan 0.000 0.533 920 G N 1.222 110.034 108.800 0.019 0.000 2.179 920 G HA2 -0.237 3.725 3.960 0.003 0.000 0.260 920 G HA3 -0.237 3.725 3.960 0.003 0.000 0.260 920 G C 0.368 175.259 174.900 -0.013 0.000 0.977 920 G CA -0.033 45.062 45.100 -0.009 0.000 0.641 920 G HN 0.065 nan 8.290 nan 0.000 0.533 921 L N 0.216 121.437 121.223 -0.004 0.000 2.444 921 L HA 0.644 4.986 4.340 0.003 0.000 0.251 921 L C 1.183 178.008 176.870 -0.075 0.000 1.247 921 L CA 1.293 56.124 54.840 -0.014 0.000 0.825 921 L CB 0.170 42.239 42.059 0.017 0.000 1.129 921 L HN 0.352 nan 8.230 nan 0.000 0.527 922 T N -0.537 113.964 114.554 -0.088 0.000 2.901 922 T HA 0.265 4.618 4.350 0.003 0.000 0.293 922 T C -0.255 174.301 174.700 -0.239 0.000 1.084 922 T CA -0.706 61.301 62.100 -0.155 0.000 1.008 922 T CB 1.143 69.963 68.868 -0.080 0.000 1.170 922 T HN 0.526 nan 8.240 nan 0.000 0.509 923 N N 2.960 121.469 118.700 -0.318 0.000 2.549 923 N HA 0.210 4.952 4.740 0.003 0.000 0.267 923 N C -0.761 174.739 175.510 -0.016 0.000 1.182 923 N CA -0.336 52.533 53.050 -0.300 0.000 1.019 923 N CB -0.145 38.147 38.487 -0.325 0.000 1.380 923 N HN 0.657 nan 8.380 nan 0.000 0.505 924 D N 0.053 120.497 120.400 0.074 0.000 2.553 924 D HA 0.155 4.798 4.640 0.003 0.000 0.249 924 D C 1.190 177.470 176.300 -0.034 0.000 1.062 924 D CA -0.815 53.194 54.000 0.016 0.000 1.085 924 D CB 0.313 41.107 40.800 -0.009 0.000 1.350 924 D HN -0.021 nan 8.370 nan 0.000 0.575 925 V N -0.342 119.370 119.914 -0.337 0.000 2.311 925 V HA -0.360 3.762 4.120 0.003 0.000 0.256 925 V C 2.066 177.894 176.094 -0.443 0.000 1.077 925 V CA 2.012 63.974 62.300 -0.564 0.000 1.067 925 V CB -1.139 29.976 31.823 -1.179 0.000 0.659 925 V HN 0.556 nan 8.190 nan 0.000 0.451 926 Y N -1.662 118.513 120.300 -0.209 0.000 2.373 926 Y HA -0.138 4.414 4.550 0.005 0.000 0.293 926 Y C 2.196 178.053 175.900 -0.072 0.000 1.129 926 Y CA 1.639 59.629 58.100 -0.184 0.000 1.226 926 Y CB -0.282 38.061 38.460 -0.194 0.000 1.000 926 Y HN 0.302 nan 8.280 nan 0.000 0.549 927 F N 0.785 120.750 119.950 0.025 0.000 2.293 927 F HA -0.139 4.390 4.527 0.003 0.000 0.297 927 F C 2.072 177.882 175.800 0.017 0.000 1.089 927 F CA 1.126 59.145 58.000 0.031 0.000 1.377 927 F CB -0.169 38.854 39.000 0.039 0.000 1.051 927 F HN -0.036 nan 8.300 nan 0.000 0.511 928 Q N 0.167 119.979 119.800 0.021 0.000 2.046 928 Q HA -0.139 4.203 4.340 0.003 0.000 0.200 928 Q C 2.417 178.313 176.000 -0.173 0.000 0.975 928 Q CA 2.176 57.953 55.803 -0.044 0.000 0.836 928 Q CB -0.456 28.369 28.738 0.144 0.000 0.896 928 Q HN 0.524 nan 8.270 nan 0.000 0.428 929 V N -2.473 117.287 119.914 -0.258 0.000 2.667 929 V HA 0.030 4.152 4.120 0.003 0.000 0.252 929 V C 1.928 177.929 176.094 -0.156 0.000 1.065 929 V CA 1.705 63.775 62.300 -0.384 0.000 1.083 929 V CB -1.180 29.917 31.823 -1.210 0.000 0.692 929 V HN 0.305 nan 8.190 nan 0.000 0.468 930 G N 0.256 108.980 108.800 -0.126 0.000 2.404 930 G HA2 -0.150 3.812 3.960 0.003 0.000 0.214 930 G HA3 -0.150 3.812 3.960 0.003 0.000 0.214 930 G C 1.549 176.394 174.900 -0.091 0.000 1.189 930 G CA 0.898 45.980 45.100 -0.031 0.000 0.789 930 G HN 0.471 nan 8.290 nan 0.000 0.533 931 L N -0.216 120.833 121.223 -0.290 0.000 2.081 931 L HA -0.076 4.266 4.340 0.003 0.000 0.212 931 L C 2.746 179.504 176.870 -0.187 0.000 1.080 931 L CA 0.944 55.597 54.840 -0.312 0.000 0.754 931 L CB -0.200 41.530 42.059 -0.548 0.000 0.893 931 L HN 0.253 nan 8.230 nan 0.000 0.433 932 L N -0.434 120.682 121.223 -0.179 0.000 1.963 932 L HA -0.315 4.027 4.340 0.003 0.000 0.220 932 L C 2.473 179.293 176.870 -0.083 0.000 1.076 932 L CA 2.712 57.450 54.840 -0.170 0.000 0.772 932 L CB -0.768 41.250 42.059 -0.068 0.000 0.892 932 L HN 0.271 nan 8.230 nan 0.000 0.435 933 T N -1.592 113.042 114.554 0.134 0.000 2.684 933 T HA -0.197 4.155 4.350 0.003 0.000 0.267 933 T C 1.720 176.503 174.700 0.137 0.000 1.036 933 T CA 1.834 64.085 62.100 0.251 0.000 1.148 933 T CB -0.632 68.441 68.868 0.342 0.000 0.863 933 T HN 0.461 nan 8.240 nan 0.000 0.436 934 T N 2.525 117.148 114.554 0.115 0.000 2.570 934 T HA -0.117 4.235 4.350 0.003 0.000 0.266 934 T C 1.903 176.623 174.700 0.034 0.000 1.071 934 T CA 1.537 63.695 62.100 0.096 0.000 1.172 934 T CB -0.583 68.310 68.868 0.042 0.000 0.864 934 T HN 0.448 nan 8.240 nan 0.000 0.421 935 I N 0.819 121.370 120.570 -0.032 0.000 2.454 935 I HA -0.089 4.083 4.170 0.003 0.000 0.254 935 I C 2.390 178.472 176.117 -0.057 0.000 1.156 935 I CA 1.448 62.718 61.300 -0.050 0.000 1.433 935 I CB -0.604 37.331 38.000 -0.108 0.000 1.082 935 I HN 0.322 nan 8.210 nan 0.000 0.432 936 G N 1.405 110.157 108.800 -0.080 0.000 2.421 936 G HA2 -0.211 3.751 3.960 0.003 0.000 0.216 936 G HA3 -0.211 3.751 3.960 0.003 0.000 0.216 936 G C 1.604 176.502 174.900 -0.003 0.000 1.171 936 G CA 0.872 45.930 45.100 -0.070 0.000 0.775 936 G HN 0.424 nan 8.290 nan 0.000 0.543 937 L N 1.379 122.612 121.223 0.015 0.000 2.027 937 L HA -0.081 4.261 4.340 0.003 0.000 0.206 937 L C 3.352 180.232 176.870 0.017 0.000 1.074 937 L CA 1.501 56.344 54.840 0.005 0.000 0.745 937 L CB -0.530 41.530 42.059 0.002 0.000 0.898 937 L HN 0.430 nan 8.230 nan 0.000 0.433 938 S N 0.220 115.941 115.700 0.034 0.000 2.399 938 S HA -0.161 4.311 4.470 0.003 0.000 0.231 938 S C 2.052 176.685 174.600 0.055 0.000 1.022 938 S CA 0.904 59.135 58.200 0.051 0.000 0.983 938 S CB -0.423 62.819 63.200 0.070 0.000 0.803 938 S HN 0.357 nan 8.310 nan 0.000 0.480 939 A N 1.376 124.216 122.820 0.034 0.000 2.067 939 A HA 0.161 4.483 4.320 0.003 0.000 0.217 939 A C 2.188 179.794 177.584 0.036 0.000 1.156 939 A CA 1.185 53.245 52.037 0.038 0.000 0.683 939 A CB -0.429 18.572 19.000 0.002 0.000 0.808 939 A HN 0.561 nan 8.150 nan 0.000 0.455 940 K N -0.132 120.280 120.400 0.020 0.000 2.044 940 K HA -0.079 4.243 4.320 0.003 0.000 0.204 940 K C 1.670 178.275 176.600 0.008 0.000 1.049 940 K CA 1.053 57.346 56.287 0.011 0.000 0.945 940 K CB -0.135 32.362 32.500 -0.005 0.000 0.724 940 K HN 0.402 nan 8.250 nan 0.000 0.440 941 N N 1.152 119.852 118.700 -0.000 0.000 2.069 941 N HA -0.199 4.543 4.740 0.003 0.000 0.191 941 N C 1.774 177.281 175.510 -0.004 0.000 1.031 941 N CA 1.495 54.532 53.050 -0.022 0.000 0.852 941 N CB -0.442 38.032 38.487 -0.021 0.000 1.018 941 N HN 0.244 nan 8.380 nan 0.000 0.423 942 A N 1.939 124.785 122.820 0.044 0.000 1.859 942 A HA -0.141 4.181 4.320 0.003 0.000 0.217 942 A C 2.408 180.044 177.584 0.086 0.000 1.198 942 A CA 1.303 53.389 52.037 0.083 0.000 0.629 942 A CB -0.976 18.112 19.000 0.146 0.000 0.830 942 A HN 0.222 nan 8.150 nan 0.000 0.446 943 I N -0.379 120.257 120.570 0.111 0.000 2.145 943 I HA -0.332 3.840 4.170 0.003 0.000 0.244 943 I C 2.480 178.689 176.117 0.153 0.000 1.075 943 I CA 1.598 62.999 61.300 0.168 0.000 1.332 943 I CB -0.386 37.675 38.000 0.102 0.000 1.033 943 I HN 0.330 nan 8.210 nan 0.000 0.410 944 L N 0.019 121.287 121.223 0.074 0.000 2.093 944 L HA -0.210 4.132 4.340 0.003 0.000 0.208 944 L C 2.493 179.371 176.870 0.012 0.000 1.085 944 L CA 1.281 56.164 54.840 0.073 0.000 0.755 944 L CB -0.362 41.676 42.059 -0.036 0.000 0.904 944 L HN 0.245 nan 8.230 nan 0.000 0.435 945 I N -0.737 119.786 120.570 -0.078 0.000 2.076 945 I HA -0.319 3.853 4.170 0.003 0.000 0.237 945 I C 2.629 178.659 176.117 -0.145 0.000 1.059 945 I CA 1.695 62.911 61.300 -0.140 0.000 1.317 945 I CB -0.370 37.560 38.000 -0.117 0.000 1.037 945 I HN 0.116 nan 8.210 nan 0.000 0.398 946 V N 0.884 120.680 119.914 -0.198 0.000 2.332 946 V HA -0.322 3.800 4.120 0.003 0.000 0.248 946 V C 2.447 178.343 176.094 -0.329 0.000 1.055 946 V CA 2.630 64.617 62.300 -0.522 0.000 1.038 946 V CB -0.468 31.120 31.823 -0.392 0.000 0.651 946 V HN 0.549 nan 8.190 nan 0.000 0.450 947 E N 0.003 120.229 120.200 0.044 0.000 2.070 947 E HA -0.253 4.099 4.350 0.003 0.000 0.197 947 E C 1.791 178.465 176.600 0.124 0.000 1.004 947 E CA 2.350 58.874 56.400 0.206 0.000 0.805 947 E CB -0.656 29.229 29.700 0.308 0.000 0.744 947 E HN 0.659 nan 8.360 nan 0.000 0.451 948 F N 0.460 120.358 119.950 -0.088 0.000 2.134 948 F HA -0.049 4.480 4.527 0.004 0.000 0.299 948 F C 2.381 178.113 175.800 -0.113 0.000 1.097 948 F CA 1.232 59.182 58.000 -0.082 0.000 1.264 948 F CB -1.085 37.868 39.000 -0.078 0.000 1.001 948 F HN 0.178 nan 8.300 nan 0.000 0.479 949 A N -0.266 122.533 122.820 -0.035 0.000 1.865 949 A HA -0.270 4.052 4.320 0.003 0.000 0.217 949 A C 2.277 179.840 177.584 -0.035 0.000 1.191 949 A CA 2.019 53.975 52.037 -0.136 0.000 0.623 949 A CB -0.864 17.816 19.000 -0.534 0.000 0.826 949 A HN 0.342 nan 8.150 nan 0.000 0.444 950 K N -0.777 119.590 120.400 -0.056 0.000 2.152 950 K HA -0.215 4.107 4.320 0.003 0.000 0.206 950 K C 1.257 177.881 176.600 0.039 0.000 1.048 950 K CA 1.766 58.103 56.287 0.084 0.000 0.933 950 K CB -0.181 32.366 32.500 0.078 0.000 0.721 950 K HN 0.400 nan 8.250 nan 0.000 0.447 951 D N 0.639 121.031 120.400 -0.013 0.000 2.123 951 D HA -0.102 4.540 4.640 0.003 0.000 0.200 951 D C 1.883 178.154 176.300 -0.048 0.000 0.976 951 D CA 0.849 54.816 54.000 -0.056 0.000 0.831 951 D CB -0.078 40.632 40.800 -0.149 0.000 0.974 951 D HN 0.192 nan 8.370 nan 0.000 0.469 952 L N -0.158 121.047 121.223 -0.030 0.000 2.079 952 L HA -0.138 4.204 4.340 0.003 0.000 0.210 952 L C 2.402 179.278 176.870 0.010 0.000 1.081 952 L CA 0.912 55.746 54.840 -0.010 0.000 0.752 952 L CB -0.303 41.768 42.059 0.021 0.000 0.896 952 L HN 0.064 nan 8.230 nan 0.000 0.433 953 M N -1.010 118.612 119.600 0.038 0.000 2.334 953 M HA -0.103 4.379 4.480 0.003 0.000 0.266 953 M C 1.251 177.568 176.300 0.029 0.000 1.082 953 M CA 1.154 56.487 55.300 0.055 0.000 1.141 953 M CB -0.077 32.583 32.600 0.100 0.000 1.380 953 M HN 0.115 nan 8.290 nan 0.000 0.440 954 D N -0.137 120.269 120.400 0.010 0.000 2.327 954 D HA -0.036 4.606 4.640 0.003 0.000 0.205 954 D C 1.734 178.011 176.300 -0.038 0.000 0.989 954 D CA 0.824 54.818 54.000 -0.010 0.000 0.873 954 D CB 0.079 40.877 40.800 -0.004 0.000 0.955 954 D HN 0.271 nan 8.370 nan 0.000 0.515 955 K N 0.211 120.578 120.400 -0.054 0.000 2.141 955 K HA 0.016 4.338 4.320 0.003 0.000 0.202 955 K C -0.021 176.499 176.600 -0.133 0.000 1.045 955 K CA 0.742 56.974 56.287 -0.091 0.000 0.971 955 K CB 0.480 32.922 32.500 -0.097 0.000 0.795 955 K HN -0.207 nan 8.250 nan 0.000 0.459 956 E N 0.063 120.205 120.200 -0.098 0.000 3.666 956 E HA 0.226 4.578 4.350 0.003 0.000 0.230 956 E C -1.415 175.180 176.600 -0.008 0.000 1.235 956 E CA -0.224 56.115 56.400 -0.102 0.000 1.096 956 E CB 1.128 30.764 29.700 -0.107 0.000 1.287 956 E HN 0.418 nan 8.360 nan 0.000 0.406 957 G N 2.522 111.336 108.800 0.024 0.000 2.904 957 G HA2 -0.283 3.679 3.960 0.003 0.000 0.316 957 G HA3 -0.283 3.679 3.960 0.003 0.000 0.316 957 G C 0.040 174.990 174.900 0.082 0.000 0.294 957 G CA 0.456 45.603 45.100 0.079 0.000 1.212 957 G HN 0.237 nan 8.290 nan 0.000 0.207 958 K N 3.004 123.445 120.400 0.067 0.000 2.800 958 K HA 0.318 4.640 4.320 0.003 0.000 0.185 958 K C 1.030 177.669 176.600 0.065 0.000 1.082 958 K CA -0.244 56.079 56.287 0.059 0.000 0.978 958 K CB 0.986 33.513 32.500 0.045 0.000 1.364 958 K HN 0.707 nan 8.250 nan 0.000 0.592 959 G N 3.093 111.933 108.800 0.066 0.000 2.836 959 G HA2 -0.233 3.729 3.960 0.003 0.000 0.341 959 G HA3 -0.233 3.729 3.960 0.003 0.000 0.341 959 G C 1.122 176.063 174.900 0.068 0.000 0.161 959 G CA 0.562 45.698 45.100 0.060 0.000 1.230 959 G HN 0.699 nan 8.290 nan 0.000 0.445 960 L N 3.534 124.810 121.223 0.089 0.000 2.125 960 L HA -0.320 4.022 4.340 0.003 0.000 0.234 960 L C 2.431 179.365 176.870 0.106 0.000 1.110 960 L CA 2.400 57.318 54.840 0.130 0.000 0.832 960 L CB -0.966 41.151 42.059 0.095 0.000 0.922 960 L HN 0.469 nan 8.230 nan 0.000 0.449 961 I N -0.502 120.105 120.570 0.062 0.000 2.730 961 I HA -0.224 3.948 4.170 0.003 0.000 0.266 961 I C 2.421 178.556 176.117 0.030 0.000 1.228 961 I CA 1.707 63.031 61.300 0.039 0.000 1.445 961 I CB -0.942 37.068 38.000 0.017 0.000 1.102 961 I HN 0.752 nan 8.210 nan 0.000 0.464 962 E N 0.009 120.233 120.200 0.040 0.000 2.279 962 E HA 0.047 4.399 4.350 0.003 0.000 0.199 962 E C 2.090 178.712 176.600 0.037 0.000 0.893 962 E CA 0.822 57.238 56.400 0.028 0.000 0.978 962 E CB 0.231 29.946 29.700 0.025 0.000 0.964 962 E HN 0.268 nan 8.360 nan 0.000 0.486 963 A N 1.329 124.183 122.820 0.057 0.000 1.902 963 A HA -0.181 4.141 4.320 0.003 0.000 0.217 963 A C 2.419 180.036 177.584 0.054 0.000 1.181 963 A CA 2.945 55.017 52.037 0.059 0.000 0.623 963 A CB -1.439 17.606 19.000 0.075 0.000 0.818 963 A HN 0.521 nan 8.150 nan 0.000 0.443 964 T N 0.060 114.663 114.554 0.082 0.000 2.649 964 T HA -0.273 4.080 4.350 0.003 0.000 0.268 964 T C 1.605 176.311 174.700 0.011 0.000 1.036 964 T CA 2.174 64.309 62.100 0.058 0.000 1.157 964 T CB -0.978 67.979 68.868 0.149 0.000 0.861 964 T HN 0.706 nan 8.240 nan 0.000 0.445 965 L N 0.426 121.655 121.223 0.010 0.000 2.270 965 L HA 0.408 4.751 4.340 0.003 0.000 0.210 965 L C 1.960 178.834 176.870 0.007 0.000 1.104 965 L CA 1.532 56.365 54.840 -0.011 0.000 0.804 965 L CB -1.291 40.744 42.059 -0.039 0.000 0.937 965 L HN 0.101 nan 8.230 nan 0.000 0.450 966 D N 0.134 120.544 120.400 0.018 0.000 2.350 966 D HA -0.018 4.624 4.640 0.003 0.000 0.216 966 D C 1.980 178.308 176.300 0.047 0.000 0.968 966 D CA 1.063 55.080 54.000 0.029 0.000 0.894 966 D CB 0.289 41.108 40.800 0.032 0.000 0.909 966 D HN 0.478 nan 8.370 nan 0.000 0.520 967 A N -0.809 122.035 122.820 0.039 0.000 1.973 967 A HA 0.096 4.418 4.320 0.003 0.000 0.210 967 A C 2.258 179.825 177.584 -0.028 0.000 1.200 967 A CA 0.391 52.456 52.037 0.046 0.000 0.707 967 A CB -0.282 18.745 19.000 0.044 0.000 0.862 967 A HN 0.139 nan 8.150 nan 0.000 0.461 968 V N 1.771 121.679 119.914 -0.011 0.000 2.287 968 V HA -0.322 3.800 4.120 0.003 0.000 0.248 968 V C 2.733 178.861 176.094 0.057 0.000 1.053 968 V CA 2.450 64.762 62.300 0.020 0.000 1.027 968 V CB -1.065 30.800 31.823 0.070 0.000 0.646 968 V HN 0.817 nan 8.190 nan 0.000 0.447 969 R N 0.548 121.100 120.500 0.085 0.000 2.096 969 R HA -0.204 4.138 4.340 0.003 0.000 0.235 969 R C 2.236 178.512 176.300 -0.040 0.000 1.127 969 R CA 2.294 58.430 56.100 0.059 0.000 0.968 969 R CB -0.612 29.726 30.300 0.063 0.000 0.861 969 R HN 0.456 nan 8.270 nan 0.000 0.440 970 M N 0.219 119.799 119.600 -0.033 0.000 2.202 970 M HA -0.100 4.382 4.480 0.003 0.000 0.262 970 M C 1.799 178.000 176.300 -0.164 0.000 1.063 970 M CA 1.731 57.001 55.300 -0.050 0.000 1.097 970 M CB 0.175 32.797 32.600 0.036 0.000 1.382 970 M HN 0.090 nan 8.290 nan 0.000 0.413 971 R N -0.444 119.909 120.500 -0.246 0.000 2.432 971 R HA 0.159 4.501 4.340 0.003 0.000 0.260 971 R C 1.421 177.585 176.300 -0.226 0.000 0.935 971 R CA -0.014 55.896 56.100 -0.318 0.000 1.080 971 R CB -0.151 29.875 30.300 -0.456 0.000 1.155 971 R HN 0.331 nan 8.270 nan 0.000 0.531 972 L N 0.644 121.742 121.223 -0.208 0.000 2.017 972 L HA -0.119 4.223 4.340 0.003 0.000 0.208 972 L C 1.988 178.760 176.870 -0.164 0.000 1.073 972 L CA 1.967 56.636 54.840 -0.286 0.000 0.745 972 L CB -0.564 41.222 42.059 -0.455 0.000 0.894 972 L HN 0.272 nan 8.230 nan 0.000 0.432 973 R N 0.313 120.797 120.500 -0.026 0.000 2.070 973 R HA -0.115 4.228 4.340 0.003 0.000 0.232 973 R C -0.291 175.983 176.300 -0.044 0.000 1.138 973 R CA 1.994 58.200 56.100 0.176 0.000 0.936 973 R CB -1.261 29.222 30.300 0.306 0.000 0.839 973 R HN 0.313 nan 8.270 nan 0.000 0.429 974 P HA -0.203 nan 4.420 nan 0.000 0.215 974 P C 1.477 178.670 177.300 -0.180 0.000 1.157 974 P CA 1.632 64.634 63.100 -0.163 0.000 0.874 974 P CB -0.236 31.377 31.700 -0.145 0.000 0.790 975 I N -0.951 119.525 120.570 -0.158 0.000 2.264 975 I HA -0.223 3.949 4.170 0.003 0.000 0.248 975 I C 2.687 178.729 176.117 -0.126 0.000 1.111 975 I CA 1.294 62.512 61.300 -0.138 0.000 1.382 975 I CB -0.567 37.347 38.000 -0.142 0.000 1.060 975 I HN -0.101 nan 8.210 nan 0.000 0.418 976 L N -0.440 120.707 121.223 -0.126 0.000 2.109 976 L HA -0.170 4.172 4.340 0.003 0.000 0.207 976 L C 2.648 179.381 176.870 -0.228 0.000 1.086 976 L CA 1.023 55.814 54.840 -0.081 0.000 0.760 976 L CB -0.294 41.808 42.059 0.072 0.000 0.910 976 L HN 0.255 nan 8.230 nan 0.000 0.437 977 M N -0.757 118.545 119.600 -0.497 0.000 2.115 977 M HA -0.221 4.262 4.480 0.003 0.000 0.258 977 M C 2.252 178.338 176.300 -0.357 0.000 1.071 977 M CA 2.306 57.127 55.300 -0.799 0.000 1.100 977 M CB -0.865 31.271 32.600 -0.774 0.000 1.292 977 M HN 0.248 nan 8.290 nan 0.000 0.415 978 T N 0.003 114.422 114.554 -0.225 0.000 2.502 978 T HA -0.222 4.130 4.350 0.003 0.000 0.258 978 T C 1.858 176.550 174.700 -0.014 0.000 1.146 978 T CA 2.029 64.066 62.100 -0.104 0.000 1.208 978 T CB -0.811 68.003 68.868 -0.091 0.000 0.864 978 T HN 0.401 nan 8.240 nan 0.000 0.402 979 S N 0.777 116.480 115.700 0.006 0.000 2.434 979 S HA -0.213 4.260 4.470 0.003 0.000 0.250 979 S C 1.924 176.576 174.600 0.087 0.000 1.102 979 S CA 1.866 60.111 58.200 0.075 0.000 1.104 979 S CB -0.705 62.518 63.200 0.039 0.000 0.957 979 S HN 0.430 nan 8.310 nan 0.000 0.456 980 L N 0.288 121.538 121.223 0.045 0.000 2.027 980 L HA -0.033 4.309 4.340 0.003 0.000 0.206 980 L C 2.588 179.508 176.870 0.084 0.000 1.074 980 L CA 1.470 56.356 54.840 0.077 0.000 0.745 980 L CB -0.760 41.365 42.059 0.111 0.000 0.898 980 L HN 0.455 nan 8.230 nan 0.000 0.433 981 A N -0.114 122.747 122.820 0.068 0.000 1.845 981 A HA -0.310 4.012 4.320 0.003 0.000 0.215 981 A C 2.126 179.810 177.584 0.166 0.000 1.195 981 A CA 1.886 53.981 52.037 0.096 0.000 0.616 981 A CB -1.219 17.816 19.000 0.058 0.000 0.832 981 A HN 0.512 nan 8.150 nan 0.000 0.443 982 F N 0.770 120.725 119.950 0.008 0.000 2.126 982 F HA -0.175 4.355 4.527 0.005 0.000 0.299 982 F C 2.003 177.825 175.800 0.037 0.000 1.096 982 F CA 1.320 59.334 58.000 0.023 0.000 1.255 982 F CB -0.425 38.587 39.000 0.019 0.000 0.997 982 F HN 0.197 nan 8.300 nan 0.000 0.479 983 I N -0.651 119.916 120.570 -0.006 0.000 2.361 983 I HA -0.320 3.852 4.170 0.003 0.000 0.251 983 I C 2.437 178.515 176.117 -0.066 0.000 1.133 983 I CA 1.027 62.268 61.300 -0.098 0.000 1.413 983 I CB -0.420 37.578 38.000 -0.004 0.000 1.073 983 I HN 0.183 nan 8.210 nan 0.000 0.424 984 L N 0.056 121.281 121.223 0.003 0.000 2.068 984 L HA -0.046 4.296 4.340 0.003 0.000 0.204 984 L C 2.663 179.538 176.870 0.008 0.000 1.076 984 L CA 1.374 56.226 54.840 0.020 0.000 0.753 984 L CB -0.981 41.111 42.059 0.056 0.000 0.910 984 L HN 0.270 nan 8.230 nan 0.000 0.439 985 G N -0.054 108.763 108.800 0.028 0.000 2.485 985 G HA2 -0.235 3.727 3.960 0.003 0.000 0.221 985 G HA3 -0.235 3.727 3.960 0.003 0.000 0.221 985 G C 1.468 176.361 174.900 -0.010 0.000 1.115 985 G CA 1.227 46.353 45.100 0.043 0.000 0.751 985 G HN 0.390 nan 8.290 nan 0.000 0.567 986 V N -2.528 117.320 119.914 -0.110 0.000 3.406 986 V HA 0.201 4.323 4.120 0.003 0.000 0.263 986 V C 2.406 178.465 176.094 -0.060 0.000 1.172 986 V CA 1.348 63.572 62.300 -0.127 0.000 1.140 986 V CB -0.107 31.537 31.823 -0.298 0.000 0.784 986 V HN 0.170 nan 8.190 nan 0.000 0.467 987 M N 1.870 121.445 119.600 -0.042 0.000 2.088 987 M HA -0.059 4.424 4.480 0.003 0.000 0.256 987 M C -0.128 176.171 176.300 -0.001 0.000 1.071 987 M CA 2.374 57.665 55.300 -0.014 0.000 1.097 987 M CB -1.680 30.920 32.600 0.000 0.000 1.315 987 M HN 0.264 nan 8.290 nan 0.000 0.406 988 P HA -0.164 nan 4.420 nan 0.000 0.218 988 P C 1.555 178.862 177.300 0.012 0.000 1.146 988 P CA 1.271 64.374 63.100 0.005 0.000 0.813 988 P CB -0.227 31.474 31.700 0.002 0.000 0.778 989 L N -1.236 119.999 121.223 0.020 0.000 2.044 989 L HA -0.088 4.254 4.340 0.003 0.000 0.205 989 L C 2.359 179.248 176.870 0.032 0.000 1.075 989 L CA 1.206 56.073 54.840 0.046 0.000 0.747 989 L CB -1.119 40.987 42.059 0.079 0.000 0.903 989 L HN -0.104 nan 8.230 nan 0.000 0.435 990 V N -0.495 119.430 119.914 0.019 0.000 3.141 990 V HA -0.114 4.008 4.120 0.003 0.000 0.265 990 V C 1.681 177.788 176.094 0.022 0.000 1.126 990 V CA 1.315 63.627 62.300 0.020 0.000 1.141 990 V CB 0.029 31.861 31.823 0.016 0.000 0.743 990 V HN 0.299 nan 8.190 nan 0.000 0.492 991 I N -0.062 120.520 120.570 0.019 0.000 4.018 991 I HA 0.252 4.424 4.170 0.003 0.000 0.337 991 I C 1.275 177.403 176.117 0.018 0.000 1.327 991 I CA 0.521 61.834 61.300 0.020 0.000 1.100 991 I CB 0.264 38.274 38.000 0.017 0.000 1.025 991 I HN 0.198 nan 8.210 nan 0.000 0.396 992 S N 0.866 116.575 115.700 0.015 0.000 2.549 992 S HA 0.326 4.798 4.470 0.003 0.000 0.283 992 S C 0.360 174.966 174.600 0.010 0.000 1.320 992 S CA -0.013 58.191 58.200 0.007 0.000 1.058 992 S CB -0.055 63.147 63.200 0.003 0.000 0.882 992 S HN 0.446 nan 8.310 nan 0.000 0.498 993 T N 1.409 115.966 114.554 0.005 0.000 2.906 993 T HA 0.742 5.094 4.350 0.003 0.000 0.295 993 T C 0.264 174.962 174.700 -0.002 0.000 1.061 993 T CA 0.040 62.155 62.100 0.024 0.000 1.000 993 T CB 0.933 69.831 68.868 0.050 0.000 1.103 993 T HN 1.679 nan 8.240 nan 0.000 0.486 994 G N 0.878 109.696 108.800 0.030 0.000 2.967 994 G HA2 0.302 4.264 3.960 0.003 0.000 0.684 994 G HA3 0.302 4.264 3.960 0.003 0.000 0.684 994 G C 0.420 175.044 174.900 -0.461 0.000 1.596 994 G CA 0.025 45.096 45.100 -0.049 0.000 1.102 994 G HN 2.541 nan 8.290 nan 0.000 0.596 995 A N 0.180 122.249 122.820 -1.253 0.000 1.900 995 A HA 0.438 4.760 4.320 0.003 0.000 0.251 995 A C 2.489 179.764 177.584 -0.515 0.000 1.334 995 A CA 1.764 53.056 52.037 -1.243 0.000 0.728 995 A CB -1.325 17.063 19.000 -1.019 0.000 1.197 995 A HN 3.356 nan 8.150 nan 0.000 0.278 996 G N 0.222 108.898 108.800 -0.205 0.000 2.143 996 G HA2 -0.140 3.822 3.960 0.003 0.000 0.248 996 G HA3 -0.140 3.822 3.960 0.003 0.000 0.248 996 G C 1.138 176.042 174.900 0.007 0.000 0.991 996 G CA 0.982 46.081 45.100 -0.002 0.000 0.689 996 G HN 1.992 nan 8.290 nan 0.000 0.522 997 S N -0.086 115.596 115.700 -0.029 0.000 2.399 997 S HA 0.009 4.481 4.470 0.003 0.000 0.231 997 S C 2.629 177.235 174.600 0.009 0.000 1.022 997 S CA 1.781 59.979 58.200 -0.003 0.000 0.983 997 S CB -0.444 62.760 63.200 0.005 0.000 0.803 997 S HN 1.307 nan 8.310 nan 0.000 0.480 998 G N 1.867 110.685 108.800 0.030 0.000 2.491 998 G HA2 -0.153 3.809 3.960 0.003 0.000 0.218 998 G HA3 -0.153 3.809 3.960 0.003 0.000 0.218 998 G C 1.585 176.431 174.900 -0.090 0.000 1.180 998 G CA 1.008 46.117 45.100 0.013 0.000 0.774 998 G HN 0.620 nan 8.290 nan 0.000 0.562 999 A N -0.016 122.708 122.820 -0.160 0.000 1.930 999 A HA -0.014 4.308 4.320 0.003 0.000 0.217 999 A C 2.368 179.573 177.584 -0.632 0.000 1.175 999 A CA 1.826 53.488 52.037 -0.625 0.000 0.627 999 A CB -0.326 18.299 19.000 -0.625 0.000 0.815 999 A HN 0.486 nan 8.150 nan 0.000 0.443 1000 Q N -0.161 119.564 119.800 -0.125 0.000 2.016 1000 Q HA -0.173 4.169 4.340 0.003 0.000 0.200 1000 Q C 1.890 177.871 176.000 -0.032 0.000 0.978 1000 Q CA 1.612 57.459 55.803 0.074 0.000 0.833 1000 Q CB -0.390 28.442 28.738 0.156 0.000 0.895 1000 Q HN 0.796 nan 8.270 nan 0.000 0.427 1001 N N 0.802 119.479 118.700 -0.037 0.000 2.094 1001 N HA -0.173 4.569 4.740 0.003 0.000 0.191 1001 N C 1.757 177.245 175.510 -0.035 0.000 1.023 1001 N CA 0.860 53.900 53.050 -0.017 0.000 0.857 1001 N CB -0.143 38.343 38.487 -0.000 0.000 1.013 1001 N HN 0.202 nan 8.380 nan 0.000 0.426 1002 A N 0.456 123.214 122.820 -0.104 0.000 2.121 1002 A HA -0.022 4.301 4.320 0.003 0.000 0.218 1002 A C 2.182 179.736 177.584 -0.050 0.000 1.154 1002 A CA 0.921 52.915 52.037 -0.071 0.000 0.679 1002 A CB -0.094 18.841 19.000 -0.108 0.000 0.795 1002 A HN 0.111 nan 8.150 nan 0.000 0.458 1003 V N -1.149 118.683 119.914 -0.137 0.000 2.672 1003 V HA 0.031 4.153 4.120 0.003 0.000 0.242 1003 V C 2.718 178.826 176.094 0.023 0.000 1.059 1003 V CA 1.272 63.543 62.300 -0.049 0.000 1.081 1003 V CB -0.982 30.783 31.823 -0.096 0.000 0.752 1003 V HN 0.517 nan 8.190 nan 0.000 0.472 1004 G N 1.121 109.932 108.800 0.019 0.000 2.484 1004 G HA2 -0.319 3.643 3.960 0.003 0.000 0.215 1004 G HA3 -0.319 3.643 3.960 0.003 0.000 0.215 1004 G C 1.843 176.746 174.900 0.005 0.000 1.219 1004 G CA 2.178 47.281 45.100 0.005 0.000 0.791 1004 G HN 0.528 nan 8.290 nan 0.000 0.550 1005 T N -0.157 114.416 114.554 0.032 0.000 2.570 1005 T HA -0.108 4.245 4.350 0.003 0.000 0.266 1005 T C 2.468 177.213 174.700 0.074 0.000 1.071 1005 T CA 2.356 64.489 62.100 0.055 0.000 1.172 1005 T CB -1.302 67.613 68.868 0.078 0.000 0.864 1005 T HN 0.427 nan 8.240 nan 0.000 0.421 1006 G N 0.951 109.821 108.800 0.116 0.000 2.513 1006 G HA2 -0.198 3.764 3.960 0.003 0.000 0.219 1006 G HA3 -0.198 3.764 3.960 0.003 0.000 0.219 1006 G C 1.747 176.669 174.900 0.036 0.000 1.160 1006 G CA 1.344 46.525 45.100 0.136 0.000 0.767 1006 G HN 0.538 nan 8.290 nan 0.000 0.571 1007 V N 0.618 120.535 119.914 0.004 0.000 2.307 1007 V HA -0.152 3.970 4.120 0.003 0.000 0.245 1007 V C 2.670 178.732 176.094 -0.054 0.000 1.045 1007 V CA 2.166 64.451 62.300 -0.026 0.000 1.024 1007 V CB -0.374 31.409 31.823 -0.067 0.000 0.651 1007 V HN 0.483 nan 8.190 nan 0.000 0.449 1008 M N 0.333 119.894 119.600 -0.066 0.000 2.065 1008 M HA -0.125 4.357 4.480 0.003 0.000 0.259 1008 M C 2.069 178.368 176.300 -0.002 0.000 1.069 1008 M CA 2.493 57.758 55.300 -0.058 0.000 1.110 1008 M CB -0.676 31.900 32.600 -0.040 0.000 1.328 1008 M HN 0.386 nan 8.290 nan 0.000 0.405 1009 G N -1.096 107.719 108.800 0.025 0.000 2.433 1009 G HA2 -0.162 3.800 3.960 0.003 0.000 0.216 1009 G HA3 -0.162 3.800 3.960 0.003 0.000 0.216 1009 G C 1.410 176.342 174.900 0.053 0.000 1.186 1009 G CA 0.787 45.913 45.100 0.045 0.000 0.779 1009 G HN 0.624 nan 8.290 nan 0.000 0.543 1010 G N 0.052 108.885 108.800 0.054 0.000 2.470 1010 G HA2 -0.125 3.837 3.960 0.003 0.000 0.220 1010 G HA3 -0.125 3.837 3.960 0.003 0.000 0.220 1010 G C 1.696 176.632 174.900 0.060 0.000 1.121 1010 G CA 1.289 46.420 45.100 0.052 0.000 0.766 1010 G HN 0.378 nan 8.290 nan 0.000 0.553 1011 M N -0.064 119.569 119.600 0.056 0.000 2.191 1011 M HA 0.174 4.656 4.480 0.003 0.000 0.262 1011 M C 2.590 178.935 176.300 0.076 0.000 1.083 1011 M CA 0.796 56.144 55.300 0.080 0.000 1.154 1011 M CB -0.356 32.284 32.600 0.067 0.000 1.344 1011 M HN 0.006 nan 8.290 nan 0.000 0.431 1012 V N 0.256 120.207 119.914 0.060 0.000 2.219 1012 V HA -0.369 3.753 4.120 0.003 0.000 0.248 1012 V C 2.497 178.641 176.094 0.083 0.000 1.053 1012 V CA 2.598 64.938 62.300 0.066 0.000 1.009 1012 V CB -1.680 30.177 31.823 0.057 0.000 0.636 1012 V HN 0.739 nan 8.190 nan 0.000 0.445 1013 T N -0.906 113.699 114.554 0.086 0.000 2.803 1013 T HA -0.200 4.152 4.350 0.003 0.000 0.269 1013 T C 1.798 176.575 174.700 0.128 0.000 1.052 1013 T CA 1.758 63.924 62.100 0.110 0.000 1.136 1013 T CB -0.534 68.393 68.868 0.099 0.000 0.864 1013 T HN 0.519 nan 8.240 nan 0.000 0.467 1014 A N 1.930 124.815 122.820 0.108 0.000 1.968 1014 A HA 0.032 4.354 4.320 0.003 0.000 0.217 1014 A C 2.661 180.309 177.584 0.107 0.000 1.169 1014 A CA 1.877 53.982 52.037 0.114 0.000 0.638 1014 A CB -1.090 17.966 19.000 0.094 0.000 0.812 1014 A HN 0.747 nan 8.150 nan 0.000 0.446 1015 T N -2.256 112.349 114.554 0.084 0.000 3.067 1015 T HA 0.090 4.442 4.350 0.003 0.000 0.257 1015 T C 1.570 176.284 174.700 0.023 0.000 1.105 1015 T CA 1.005 63.133 62.100 0.047 0.000 1.104 1015 T CB -0.325 68.567 68.868 0.040 0.000 0.925 1015 T HN 0.591 nan 8.240 nan 0.000 0.498 1016 V N -0.940 119.017 119.914 0.071 0.000 2.575 1016 V HA 0.220 4.342 4.120 0.003 0.000 0.242 1016 V C 2.252 178.419 176.094 0.121 0.000 1.045 1016 V CA 0.305 62.650 62.300 0.076 0.000 1.065 1016 V CB -1.016 30.894 31.823 0.146 0.000 0.717 1016 V HN 0.225 nan 8.190 nan 0.000 0.467 1017 L N 1.667 123.031 121.223 0.235 0.000 1.988 1017 L HA 0.144 4.486 4.340 0.003 0.000 0.207 1017 L C 2.995 180.071 176.870 0.343 0.000 1.071 1017 L CA 2.495 57.588 54.840 0.422 0.000 0.744 1017 L CB -1.452 40.909 42.059 0.504 0.000 0.893 1017 L HN 0.369 nan 8.230 nan 0.000 0.433 1018 A N -0.530 122.424 122.820 0.224 0.000 1.971 1018 A HA -0.290 4.032 4.320 0.003 0.000 0.222 1018 A C 2.255 179.831 177.584 -0.013 0.000 1.182 1018 A CA 2.133 54.248 52.037 0.131 0.000 0.649 1018 A CB -0.958 18.100 19.000 0.097 0.000 0.818 1018 A HN 0.336 nan 8.150 nan 0.000 0.458 1019 I N -1.779 118.710 120.570 -0.134 0.000 2.315 1019 I HA -0.234 3.938 4.170 0.003 0.000 0.251 1019 I C 1.912 177.804 176.117 -0.374 0.000 1.125 1019 I CA 1.490 62.608 61.300 -0.303 0.000 1.392 1019 I CB -0.455 37.222 38.000 -0.540 0.000 1.065 1019 I HN 0.393 nan 8.210 nan 0.000 0.424 1020 F N -2.368 117.538 119.950 -0.073 0.000 2.453 1020 F HA 0.100 4.629 4.527 0.003 0.000 0.284 1020 F C 2.069 177.592 175.800 -0.460 0.000 1.065 1020 F CA 0.276 58.090 58.000 -0.310 0.000 1.411 1020 F CB -1.054 37.681 39.000 -0.441 0.000 1.131 1020 F HN -0.134 nan 8.300 nan 0.000 0.582 1021 F N 0.288 120.146 119.950 -0.155 0.000 2.186 1021 F HA -0.126 4.403 4.527 0.003 0.000 0.299 1021 F C 2.365 177.546 175.800 -1.032 0.000 1.090 1021 F CA 0.859 58.469 58.000 -0.649 0.000 1.307 1021 F CB -1.151 37.414 39.000 -0.725 0.000 1.019 1021 F HN -0.265 nan 8.300 nan 0.000 0.489 1022 V N 0.762 120.450 119.914 -0.378 0.000 2.255 1022 V HA -0.246 3.876 4.120 0.003 0.000 0.247 1022 V C -0.301 175.776 176.094 -0.030 0.000 1.051 1022 V CA 2.094 64.312 62.300 -0.137 0.000 1.018 1022 V CB -1.841 29.987 31.823 0.009 0.000 0.641 1022 V HN 0.176 nan 8.190 nan 0.000 0.445 1023 P HA -0.105 nan 4.420 nan 0.000 0.218 1023 P C 1.847 179.164 177.300 0.029 0.000 1.148 1023 P CA 1.205 64.302 63.100 -0.005 0.000 0.822 1023 P CB -0.036 31.622 31.700 -0.070 0.000 0.784 1024 V N -1.616 118.257 119.914 -0.068 0.000 2.407 1024 V HA -0.178 3.944 4.120 0.003 0.000 0.245 1024 V C 2.118 178.330 176.094 0.197 0.000 1.041 1024 V CA 1.507 63.803 62.300 -0.007 0.000 1.040 1024 V CB -1.186 30.589 31.823 -0.080 0.000 0.671 1024 V HN 0.085 nan 8.190 nan 0.000 0.455 1025 F N -1.062 118.964 119.950 0.127 0.000 2.102 1025 F HA -0.239 4.290 4.527 0.003 0.000 0.298 1025 F C 2.320 178.216 175.800 0.160 0.000 1.105 1025 F CA 1.762 59.829 58.000 0.112 0.000 1.239 1025 F CB -0.397 38.675 39.000 0.119 0.000 0.991 1025 F HN 0.181 nan 8.300 nan 0.000 0.474 1026 F N 1.325 121.413 119.950 0.230 0.000 2.051 1026 F HA -0.211 4.318 4.527 0.003 0.000 0.296 1026 F C 2.515 178.374 175.800 0.100 0.000 1.122 1026 F CA 1.659 59.736 58.000 0.128 0.000 1.201 1026 F CB -0.893 38.148 39.000 0.069 0.000 0.978 1026 F HN -0.178 nan 8.300 nan 0.000 0.472 1027 V N -1.784 118.228 119.914 0.164 0.000 2.380 1027 V HA -0.252 3.870 4.120 0.003 0.000 0.251 1027 V C 2.102 178.190 176.094 -0.009 0.000 1.063 1027 V CA 1.871 64.192 62.300 0.036 0.000 1.055 1027 V CB -1.778 30.089 31.823 0.073 0.000 0.657 1027 V HN 0.235 nan 8.190 nan 0.000 0.455 1028 V N 0.102 120.045 119.914 0.049 0.000 2.270 1028 V HA -0.165 3.958 4.120 0.003 0.000 0.245 1028 V C 2.666 178.768 176.094 0.013 0.000 1.043 1028 V CA 2.110 64.433 62.300 0.038 0.000 1.014 1028 V CB -0.381 31.497 31.823 0.092 0.000 0.645 1028 V HN 0.460 nan 8.190 nan 0.000 0.447 1029 V N -0.252 119.695 119.914 0.055 0.000 2.515 1029 V HA -0.176 3.946 4.120 0.003 0.000 0.250 1029 V C 2.576 178.743 176.094 0.120 0.000 1.058 1029 V CA 1.775 64.168 62.300 0.154 0.000 1.064 1029 V CB -0.765 31.177 31.823 0.199 0.000 0.675 1029 V HN 0.396 nan 8.190 nan 0.000 0.461 1030 R N 0.441 120.855 120.500 -0.143 0.000 2.096 1030 R HA -0.067 4.276 4.340 0.003 0.000 0.235 1030 R C 2.387 178.643 176.300 -0.073 0.000 1.127 1030 R CA 1.580 57.542 56.100 -0.230 0.000 0.968 1030 R CB -0.369 29.605 30.300 -0.544 0.000 0.861 1030 R HN 0.446 nan 8.270 nan 0.000 0.440 1031 R N -1.074 119.384 120.500 -0.071 0.000 2.093 1031 R HA 0.004 4.346 4.340 0.003 0.000 0.224 1031 R C 2.217 178.459 176.300 -0.098 0.000 1.101 1031 R CA 1.138 57.201 56.100 -0.061 0.000 0.979 1031 R CB -0.232 30.035 30.300 -0.055 0.000 0.877 1031 R HN -0.014 nan 8.270 nan 0.000 0.441 1032 R N 0.491 120.897 120.500 -0.156 0.000 2.105 1032 R HA -0.085 4.257 4.340 0.003 0.000 0.239 1032 R C -0.377 175.536 176.300 -0.646 0.000 1.135 1032 R CA 1.383 57.216 56.100 -0.444 0.000 0.967 1032 R CB 0.017 29.948 30.300 -0.615 0.000 0.861 1032 R HN -0.006 nan 8.270 nan 0.000 0.442 1033 F N 0.367 120.289 119.950 -0.048 0.000 2.434 1033 F HA 0.471 5.000 4.527 0.003 0.000 0.355 1033 F C -0.491 175.299 175.800 -0.016 0.000 1.115 1033 F CA -0.444 57.543 58.000 -0.022 0.000 1.010 1033 F CB 1.818 40.818 39.000 0.000 0.000 1.234 1033 F HN 0.048 nan 8.300 nan 0.000 0.439 1034 S N 2.560 118.331 115.700 0.118 0.000 2.718 1034 S HA 0.745 5.217 4.470 0.003 0.000 0.271 1034 S C -1.351 173.277 174.600 0.046 0.000 0.999 1034 S CA -1.510 56.737 58.200 0.080 0.000 0.899 1034 S CB 2.081 65.315 63.200 0.056 0.000 1.148 1034 S HN 0.882 nan 8.310 nan 0.000 0.463 1035 R N 0.751 121.279 120.500 0.045 0.000 2.781 1035 R HA 0.643 4.985 4.340 0.003 0.000 0.268 1035 R C 0.295 176.619 176.300 0.040 0.000 1.047 1035 R CA -0.446 55.675 56.100 0.035 0.000 0.925 1035 R CB 0.455 30.777 30.300 0.036 0.000 1.246 1035 R HN 0.996 nan 8.270 nan 0.000 0.456 1036 K N 0.618 121.040 120.400 0.038 0.000 8.153 1036 K HA -0.504 3.818 4.320 0.003 0.000 0.389 1036 K C 0.577 177.214 176.600 0.062 0.000 0.556 1036 K CA 2.594 58.911 56.287 0.050 0.000 1.356 1036 K CB -1.554 30.978 32.500 0.054 0.000 0.798 1036 K HN 1.001 nan 8.250 nan 0.000 1.027 1037 N N 0.608 119.354 118.700 0.077 0.000 1.133 1037 N HA -0.367 4.375 4.740 0.003 0.000 0.111 1037 N C 0.684 176.262 175.510 0.114 0.000 0.713 1037 N CA 3.962 57.069 53.050 0.095 0.000 0.831 1037 N CB -0.575 37.948 38.487 0.059 0.000 1.095 1037 N HN 0.878 nan 8.380 nan 0.000 0.648 1038 E N -2.187 118.056 120.200 0.072 0.000 1.368 1038 E HA -0.028 4.324 4.350 0.003 0.000 0.220 1038 E C 0.295 176.903 176.600 0.014 0.000 1.057 1038 E CA 1.024 57.440 56.400 0.027 0.000 1.187 1038 E CB -0.983 28.709 29.700 -0.014 0.000 4.589 1038 E HN 0.708 nan 8.360 nan 0.000 0.729 1039 D N 0.584 121.003 120.400 0.032 0.000 2.946 1039 D HA -0.189 4.453 4.640 0.003 0.000 0.202 1039 D C 0.002 176.311 176.300 0.014 0.000 1.068 1039 D CA 1.378 55.391 54.000 0.022 0.000 1.011 1039 D CB -0.880 39.925 40.800 0.008 0.000 1.105 1039 D HN 0.321 nan 8.370 nan 0.000 0.425 1040 I N 0.629 121.199 120.570 0.000 0.000 3.474 1040 I HA 0.348 4.520 4.170 0.003 0.000 0.294 1040 I C 0.918 177.025 176.117 -0.016 0.000 1.185 1040 I CA -0.416 60.871 61.300 -0.022 0.000 1.003 1040 I CB 1.270 39.235 38.000 -0.058 0.000 1.327 1040 I HN -0.133 nan 8.210 nan 0.000 0.541 1041 E N 0.065 120.247 120.200 -0.030 0.000 2.397 1041 E HA 0.190 4.543 4.350 0.003 0.000 0.254 1041 E C -0.098 176.483 176.600 -0.032 0.000 1.231 1041 E CA 0.781 57.184 56.400 0.005 0.000 0.954 1041 E CB 0.285 29.993 29.700 0.013 0.000 1.024 1041 E HN 0.491 nan 8.360 nan 0.000 0.481 1042 H N -1.089 118.004 119.070 0.039 0.000 3.090 1042 H HA 0.168 4.726 4.556 0.003 0.000 0.206 1042 H C -0.609 174.760 175.328 0.068 0.000 0.936 1042 H CA 0.860 56.934 56.048 0.043 0.000 0.937 1042 H CB 0.219 30.002 29.762 0.036 0.000 1.091 1042 H HN 0.406 nan 8.280 nan 0.000 0.605 1043 S N 2.037 117.866 115.700 0.215 0.000 3.670 1043 S HA -0.227 4.245 4.470 0.003 0.000 0.856 1043 S C -0.426 174.352 174.600 0.297 0.000 1.206 1043 S CA 1.433 59.768 58.200 0.226 0.000 0.926 1043 S CB -0.339 63.034 63.200 0.287 0.000 1.039 1043 S HN 0.727 nan 8.310 nan 0.000 0.286 1044 H N 0.000 119.092 119.070 0.037 0.000 2.539 1044 H HA 0.000 4.558 4.556 0.004 0.000 0.296 1044 H CA 0.000 56.060 56.048 0.021 0.000 1.023 1044 H CB 0.000 29.774 29.762 0.020 0.000 1.292 1044 H HN 0.000 nan 8.280 nan 0.000 0.496