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_C 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 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 0.000 176.411 176.300 0.185 0.000 1.140 1 M CA 0.000 55.329 55.300 0.048 0.000 0.988 1 M CB 0.000 32.642 32.600 0.069 0.000 1.302 2 P HA -0.038 nan 4.420 nan 0.000 0.215 2 P C 0.444 177.828 177.300 0.139 0.000 1.157 2 P CA 1.929 65.126 63.100 0.162 0.000 0.868 2 P CB -0.314 31.434 31.700 0.080 0.000 0.788 3 N N -1.669 117.083 118.700 0.086 0.000 2.120 3 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 3 N C 1.588 177.116 175.510 0.029 0.000 1.024 3 N CA 0.565 53.644 53.050 0.049 0.000 0.852 3 N CB -0.583 37.924 38.487 0.032 0.000 1.003 3 N HN 0.052 nan 8.380 nan 0.000 0.424 4 F N 0.897 120.768 119.950 -0.132 0.000 2.095 4 F HA -0.181 4.346 4.527 -0.001 0.000 0.298 4 F C 1.478 177.073 175.800 -0.342 0.000 1.104 4 F CA 1.480 59.311 58.000 -0.281 0.000 1.232 4 F CB -0.204 38.519 39.000 -0.462 0.000 0.987 4 F HN -0.047 nan 8.300 nan 0.000 0.475 5 F N 0.216 120.192 119.950 0.044 0.000 2.456 5 F HA 0.020 4.547 4.527 -0.001 0.000 0.298 5 F C 2.134 177.874 175.800 -0.100 0.000 1.104 5 F CA 0.631 58.589 58.000 -0.070 0.000 1.435 5 F CB -0.662 38.335 39.000 -0.006 0.000 1.078 5 F HN -0.040 nan 8.300 nan 0.000 0.546 6 I N -0.198 120.413 120.570 0.067 0.000 2.614 6 I HA -0.242 3.928 4.170 -0.000 0.000 0.258 6 I C 1.316 177.422 176.117 -0.018 0.000 1.189 6 I CA 1.236 62.553 61.300 0.027 0.000 1.462 6 I CB -0.248 37.763 38.000 0.018 0.000 1.092 6 I HN 0.018 nan 8.210 nan 0.000 0.442 7 D N 0.242 120.584 120.400 -0.097 0.000 2.366 7 D HA 0.047 4.687 4.640 -0.000 0.000 0.205 7 D C 0.749 176.969 176.300 -0.133 0.000 1.022 7 D CA 0.453 54.381 54.000 -0.121 0.000 0.868 7 D CB 0.295 40.991 40.800 -0.173 0.000 0.953 7 D HN 0.081 nan 8.370 nan 0.000 0.514 8 R N 1.030 121.431 120.500 -0.165 0.000 3.301 8 R HA 0.252 4.592 4.340 -0.000 0.000 0.286 8 R C -1.922 174.466 176.300 0.146 0.000 1.386 8 R CA -1.665 54.403 56.100 -0.054 0.000 1.607 8 R CB 0.568 30.742 30.300 -0.210 0.000 1.305 8 R HN 0.052 nan 8.270 nan 0.000 0.637 9 P HA -0.189 nan 4.420 nan 0.000 0.215 9 P C 1.507 178.989 177.300 0.302 0.000 1.163 9 P CA 1.158 64.366 63.100 0.179 0.000 0.894 9 P CB 0.101 31.902 31.700 0.169 0.000 0.791 10 I N -3.355 117.405 120.570 0.317 0.000 2.493 10 I HA -0.199 3.970 4.170 -0.000 0.000 0.254 10 I C 2.057 178.414 176.117 0.401 0.000 1.160 10 I CA 1.286 62.810 61.300 0.373 0.000 1.445 10 I CB -0.441 37.688 38.000 0.215 0.000 1.086 10 I HN -0.206 nan 8.210 nan 0.000 0.433 11 F N 2.583 122.667 119.950 0.223 0.000 2.102 11 F HA -0.131 4.396 4.527 -0.000 0.000 0.298 11 F C 2.504 178.475 175.800 0.285 0.000 1.105 11 F CA 1.372 59.534 58.000 0.269 0.000 1.239 11 F CB -1.018 38.174 39.000 0.320 0.000 0.991 11 F HN 0.180 nan 8.300 nan 0.000 0.474 12 A N -0.591 122.550 122.820 0.535 0.000 1.917 12 A HA -0.271 4.048 4.320 -0.000 0.000 0.219 12 A C 2.282 179.909 177.584 0.071 0.000 1.182 12 A CA 1.847 53.937 52.037 0.088 0.000 0.633 12 A CB -1.813 17.120 19.000 -0.113 0.000 0.819 12 A HN 0.630 nan 8.150 nan 0.000 0.448 13 W N -0.086 121.293 121.300 0.132 0.000 2.358 13 W HA -0.189 4.471 4.660 -0.001 0.000 0.303 13 W C 2.528 179.098 176.519 0.084 0.000 1.208 13 W CA 2.044 59.438 57.345 0.081 0.000 1.274 13 W CB -0.290 29.212 29.460 0.069 0.000 1.138 13 W HN 0.312 nan 8.180 nan 0.000 0.515 14 V N -0.645 119.487 119.914 0.362 0.000 2.343 14 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 14 V C 1.623 177.839 176.094 0.205 0.000 1.051 14 V CA 1.921 64.358 62.300 0.228 0.000 1.036 14 V CB -0.917 30.982 31.823 0.128 0.000 0.654 14 V HN 0.279 nan 8.190 nan 0.000 0.451 15 I N 1.128 121.843 120.570 0.243 0.000 2.286 15 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 15 I C 2.942 179.115 176.117 0.095 0.000 1.115 15 I CA 1.683 63.085 61.300 0.169 0.000 1.392 15 I CB -0.709 37.370 38.000 0.131 0.000 1.065 15 I HN 0.442 nan 8.210 nan 0.000 0.418 16 A N 0.993 123.865 122.820 0.087 0.000 1.897 16 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 16 A C 2.288 179.952 177.584 0.135 0.000 1.181 16 A CA 1.112 53.192 52.037 0.073 0.000 0.620 16 A CB -0.622 18.395 19.000 0.028 0.000 0.821 16 A HN 0.324 nan 8.150 nan 0.000 0.443 17 I N -0.176 120.510 120.570 0.194 0.000 2.179 17 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 17 I C 2.287 178.465 176.117 0.102 0.000 1.088 17 I CA 1.334 62.728 61.300 0.156 0.000 1.357 17 I CB -0.340 37.749 38.000 0.149 0.000 1.051 17 I HN 0.292 nan 8.210 nan 0.000 0.409 18 I N 0.545 121.174 120.570 0.097 0.000 2.264 18 I HA -0.316 3.854 4.170 -0.000 0.000 0.248 18 I C 2.434 178.592 176.117 0.069 0.000 1.111 18 I CA 1.235 62.579 61.300 0.075 0.000 1.382 18 I CB -0.271 37.775 38.000 0.077 0.000 1.060 18 I HN 0.203 nan 8.210 nan 0.000 0.418 19 I N 0.339 120.952 120.570 0.072 0.000 2.142 19 I HA -0.299 3.870 4.170 -0.000 0.000 0.240 19 I C 2.615 178.774 176.117 0.070 0.000 1.078 19 I CA 1.921 63.260 61.300 0.065 0.000 1.343 19 I CB -0.968 37.063 38.000 0.052 0.000 1.046 19 I HN 0.272 nan 8.210 nan 0.000 0.405 20 M N 0.702 120.347 119.600 0.075 0.000 2.067 20 M HA -0.212 4.268 4.480 -0.000 0.000 0.260 20 M C 2.274 178.607 176.300 0.055 0.000 1.069 20 M CA 1.795 57.139 55.300 0.072 0.000 1.117 20 M CB -0.733 31.915 32.600 0.080 0.000 1.334 20 M HN 0.224 nan 8.290 nan 0.000 0.407 21 L N -0.785 120.468 121.223 0.049 0.000 2.265 21 L HA 0.072 4.412 4.340 -0.000 0.000 0.215 21 L C 2.410 179.299 176.870 0.031 0.000 1.117 21 L CA 1.780 56.639 54.840 0.032 0.000 0.782 21 L CB -1.798 40.278 42.059 0.028 0.000 0.914 21 L HN 0.120 nan 8.230 nan 0.000 0.441 22 A N 0.893 123.740 122.820 0.044 0.000 1.872 22 A HA 0.146 4.466 4.320 -0.000 0.000 0.214 22 A C 2.409 180.027 177.584 0.056 0.000 1.187 22 A CA 1.215 53.280 52.037 0.046 0.000 0.614 22 A CB -1.472 17.560 19.000 0.054 0.000 0.826 22 A HN 0.476 nan 8.150 nan 0.000 0.442 23 G N -0.541 108.303 108.800 0.074 0.000 2.422 23 G HA2 0.045 4.004 3.960 -0.000 0.000 0.218 23 G HA3 0.045 4.004 3.960 -0.000 0.000 0.218 23 G C 1.466 176.387 174.900 0.035 0.000 1.146 23 G CA 1.265 46.430 45.100 0.108 0.000 0.769 23 G HN 0.680 nan 8.290 nan 0.000 0.547 24 G N 0.901 109.700 108.800 -0.000 0.000 2.402 24 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.216 24 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.216 24 G C 1.765 176.631 174.900 -0.057 0.000 1.162 24 G CA 0.591 45.656 45.100 -0.058 0.000 0.777 24 G HN 0.408 nan 8.290 nan 0.000 0.539 25 L N 0.683 121.895 121.223 -0.020 0.000 2.131 25 L HA -0.049 4.291 4.340 -0.000 0.000 0.210 25 L C 3.326 180.190 176.870 -0.010 0.000 1.092 25 L CA 0.922 55.754 54.840 -0.015 0.000 0.759 25 L CB -0.417 41.642 42.059 0.001 0.000 0.903 25 L HN 0.321 nan 8.230 nan 0.000 0.435 26 A N 0.148 122.974 122.820 0.010 0.000 2.015 26 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 26 A C 2.208 179.793 177.584 0.002 0.000 1.163 26 A CA 1.078 53.138 52.037 0.038 0.000 0.646 26 A CB -0.444 18.620 19.000 0.105 0.000 0.806 26 A HN 0.338 nan 8.150 nan 0.000 0.448 27 I N -0.242 120.274 120.570 -0.090 0.000 2.163 27 I HA -0.246 3.924 4.170 -0.000 0.000 0.240 27 I C 2.295 178.351 176.117 -0.102 0.000 1.081 27 I CA 1.072 62.261 61.300 -0.185 0.000 1.353 27 I CB -0.404 37.385 38.000 -0.352 0.000 1.054 27 I HN 0.301 nan 8.210 nan 0.000 0.407 28 L N 1.099 122.274 121.223 -0.079 0.000 2.051 28 L HA -0.273 4.066 4.340 -0.000 0.000 0.214 28 L C 2.643 179.494 176.870 -0.031 0.000 1.076 28 L CA 2.047 56.855 54.840 -0.053 0.000 0.758 28 L CB -0.861 41.173 42.059 -0.041 0.000 0.890 28 L HN 0.412 nan 8.230 nan 0.000 0.433 29 K N 0.408 120.798 120.400 -0.017 0.000 2.137 29 K HA 0.018 4.337 4.320 -0.000 0.000 0.202 29 K C 0.967 177.573 176.600 0.011 0.000 1.052 29 K CA 0.111 56.397 56.287 -0.001 0.000 0.961 29 K CB -0.356 32.147 32.500 0.006 0.000 0.741 29 K HN 0.109 nan 8.250 nan 0.000 0.452 30 L N 4.320 125.558 121.223 0.024 0.000 2.640 30 L HA 0.023 4.363 4.340 -0.000 0.000 0.280 30 L C -1.830 175.062 176.870 0.038 0.000 1.229 30 L CA -1.295 53.577 54.840 0.053 0.000 0.919 30 L CB -0.127 41.990 42.059 0.097 0.000 1.168 30 L HN 0.262 nan 8.230 nan 0.000 0.496 31 P HA 0.234 nan 4.420 nan 0.000 0.274 31 P C -0.896 176.425 177.300 0.035 0.000 1.246 31 P CA -0.368 62.750 63.100 0.030 0.000 0.795 31 P CB 1.451 33.168 31.700 0.029 0.000 1.006 32 V N -0.029 119.897 119.914 0.019 0.000 2.864 32 V HA 0.864 4.984 4.120 -0.000 0.000 0.314 32 V C 0.139 176.237 176.094 0.006 0.000 1.073 32 V CA -0.576 61.731 62.300 0.011 0.000 0.956 32 V CB 1.450 33.268 31.823 -0.008 0.000 1.023 32 V HN 1.016 nan 8.190 nan 0.000 0.435 33 A N 1.349 124.167 122.820 -0.004 0.000 2.544 33 A HA 0.522 4.842 4.320 -0.000 0.000 0.291 33 A C 0.145 177.703 177.584 -0.043 0.000 1.055 33 A CA -0.259 51.776 52.037 -0.005 0.000 0.651 33 A CB 1.486 20.508 19.000 0.036 0.000 1.296 33 A HN 0.616 nan 8.150 nan 0.000 0.431 34 Q N -0.758 118.998 119.800 -0.072 0.000 1.965 34 Q HA -0.020 4.320 4.340 -0.000 0.000 0.200 34 Q C -0.524 175.400 176.000 -0.127 0.000 0.981 34 Q CA 1.755 57.435 55.803 -0.204 0.000 0.834 34 Q CB -0.091 28.475 28.738 -0.287 0.000 0.900 34 Q HN 0.667 nan 8.270 nan 0.000 0.426 35 Y N -0.642 119.691 120.300 0.055 0.000 2.570 35 Y HA 0.421 4.971 4.550 -0.001 0.000 0.345 35 Y C -1.821 174.116 175.900 0.062 0.000 1.014 35 Y CA -2.993 55.145 58.100 0.064 0.000 1.063 35 Y CB 0.940 39.465 38.460 0.108 0.000 1.272 35 Y HN 0.179 nan 8.280 nan 0.000 0.477 36 P HA 0.137 nan 4.420 nan 0.000 0.329 36 P C -0.557 176.832 177.300 0.148 0.000 1.319 36 P CA -0.328 62.862 63.100 0.149 0.000 0.742 36 P CB 0.402 32.178 31.700 0.126 0.000 1.564 37 T N 1.007 115.618 114.554 0.095 0.000 2.776 37 T HA 0.234 4.584 4.350 -0.000 0.000 0.292 37 T C 1.112 175.866 174.700 0.089 0.000 0.921 37 T CA -0.020 62.134 62.100 0.090 0.000 1.038 37 T CB -1.036 67.864 68.868 0.053 0.000 0.910 37 T HN 0.307 nan 8.240 nan 0.000 0.536 38 I N 0.424 121.058 120.570 0.106 0.000 4.323 38 I HA 0.557 4.727 4.170 -0.000 0.000 0.328 38 I C 1.003 177.180 176.117 0.099 0.000 1.310 38 I CA -0.568 60.782 61.300 0.084 0.000 1.186 38 I CB 0.176 38.194 38.000 0.030 0.000 1.130 38 I HN 0.379 nan 8.210 nan 0.000 0.411 39 A N 4.179 127.067 122.820 0.113 0.000 2.388 39 A HA 0.570 4.889 4.320 -0.000 0.000 0.257 39 A C -2.329 175.304 177.584 0.082 0.000 1.095 39 A CA -1.189 50.913 52.037 0.108 0.000 0.791 39 A CB -0.528 18.544 19.000 0.119 0.000 1.029 39 A HN 0.213 nan 8.150 nan 0.000 0.489 40 P HA 0.245 nan 4.420 nan 0.000 0.275 40 P C -2.706 174.626 177.300 0.053 0.000 1.228 40 P CA -1.128 62.001 63.100 0.048 0.000 0.786 40 P CB 0.313 32.014 31.700 0.001 0.000 0.927 41 P HA 0.281 nan 4.420 nan 0.000 0.274 41 P C -0.986 176.401 177.300 0.144 0.000 1.231 41 P CA -0.098 63.049 63.100 0.078 0.000 0.790 41 P CB 0.791 32.513 31.700 0.037 0.000 0.951 42 A N 1.979 124.872 122.820 0.121 0.000 2.498 42 A HA 0.681 5.001 4.320 -0.000 0.000 0.298 42 A C -1.204 176.465 177.584 0.142 0.000 1.075 42 A CA -0.651 51.479 52.037 0.155 0.000 0.714 42 A CB 1.651 20.698 19.000 0.077 0.000 1.299 42 A HN 0.308 nan 8.150 nan 0.000 0.407 43 V N 0.813 120.842 119.914 0.192 0.000 2.588 43 V HA 0.678 4.798 4.120 -0.000 0.000 0.304 43 V C -0.286 175.872 176.094 0.107 0.000 1.042 43 V CA -0.348 62.033 62.300 0.134 0.000 0.877 43 V CB 2.103 34.020 31.823 0.156 0.000 0.996 43 V HN 0.945 nan 8.190 nan 0.000 0.425 44 T N 5.665 120.265 114.554 0.077 0.000 2.824 44 T HA 0.653 5.003 4.350 -0.000 0.000 0.282 44 T C -0.385 174.350 174.700 0.058 0.000 0.993 44 T CA -0.198 61.942 62.100 0.068 0.000 0.967 44 T CB 1.085 69.995 68.868 0.070 0.000 0.960 44 T HN 0.389 nan 8.240 nan 0.000 0.441 45 I N 2.300 122.903 120.570 0.054 0.000 2.385 45 I HA 0.481 4.651 4.170 -0.000 0.000 0.294 45 I C 0.288 176.434 176.117 0.049 0.000 0.988 45 I CA -0.436 60.892 61.300 0.046 0.000 1.265 45 I CB 1.611 39.635 38.000 0.039 0.000 1.388 45 I HN 0.475 nan 8.210 nan 0.000 0.480 46 S N 3.935 119.663 115.700 0.047 0.000 2.538 46 S HA 0.857 5.326 4.470 -0.000 0.000 0.288 46 S C -0.747 173.882 174.600 0.048 0.000 1.108 46 S CA -0.604 57.628 58.200 0.053 0.000 0.971 46 S CB 2.080 65.315 63.200 0.058 0.000 1.041 46 S HN 0.749 nan 8.310 nan 0.000 0.483 47 A N 1.629 124.481 122.820 0.054 0.000 2.539 47 A HA 0.889 5.208 4.320 -0.000 0.000 0.296 47 A C -0.862 176.767 177.584 0.074 0.000 1.073 47 A CA -0.724 51.344 52.037 0.052 0.000 0.700 47 A CB 1.941 20.965 19.000 0.039 0.000 1.296 47 A HN 0.612 nan 8.150 nan 0.000 0.405 48 S N 0.147 115.896 115.700 0.081 0.000 2.647 48 S HA 0.562 5.032 4.470 -0.000 0.000 0.300 48 S C -1.604 173.099 174.600 0.172 0.000 1.129 48 S CA -0.246 58.027 58.200 0.121 0.000 1.029 48 S CB 0.660 63.926 63.200 0.111 0.000 1.007 48 S HN 0.716 nan 8.310 nan 0.000 0.484 49 Y N 5.896 126.224 120.300 0.047 0.000 2.944 49 Y HA 0.359 4.909 4.550 -0.000 0.000 0.335 49 Y C -2.431 173.499 175.900 0.051 0.000 1.075 49 Y CA -2.895 55.232 58.100 0.045 0.000 1.240 49 Y CB 0.692 39.173 38.460 0.035 0.000 1.167 49 Y HN 0.491 nan 8.280 nan 0.000 0.555 50 P HA -0.114 nan 4.420 nan 0.000 0.265 50 P C 0.804 178.151 177.300 0.080 0.000 1.167 50 P CA 2.342 65.549 63.100 0.178 0.000 0.760 50 P CB 0.555 32.369 31.700 0.190 0.000 0.783 51 G N 1.376 110.200 108.800 0.040 0.000 2.249 51 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.269 51 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.269 51 G C 0.529 175.363 174.900 -0.110 0.000 0.979 51 G CA 0.394 45.485 45.100 -0.014 0.000 0.644 51 G HN 0.896 nan 8.290 nan 0.000 0.546 52 A N 0.560 123.244 122.820 -0.226 0.000 2.322 52 A HA 0.575 4.895 4.320 -0.000 0.000 0.269 52 A C 0.610 178.091 177.584 -0.172 0.000 1.094 52 A CA 0.292 52.113 52.037 -0.361 0.000 0.807 52 A CB 0.437 18.907 19.000 -0.884 0.000 1.047 52 A HN 0.632 nan 8.150 nan 0.000 0.487 53 D N 0.808 121.124 120.400 -0.140 0.000 2.387 53 D HA 0.380 5.020 4.640 -0.000 0.000 0.251 53 D C 1.136 177.408 176.300 -0.047 0.000 1.141 53 D CA 0.141 54.102 54.000 -0.066 0.000 0.987 53 D CB 1.224 41.994 40.800 -0.050 0.000 1.116 53 D HN 0.406 nan 8.370 nan 0.000 0.491 54 A N 0.687 123.494 122.820 -0.021 0.000 1.873 54 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 54 A C 2.063 179.636 177.584 -0.019 0.000 1.193 54 A CA 1.693 53.722 52.037 -0.013 0.000 0.629 54 A CB -0.671 18.318 19.000 -0.018 0.000 0.826 54 A HN 0.582 nan 8.150 nan 0.000 0.447 55 K N -0.686 119.694 120.400 -0.032 0.000 2.097 55 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 55 K C 2.054 178.649 176.600 -0.009 0.000 1.049 55 K CA 1.950 58.219 56.287 -0.029 0.000 0.933 55 K CB -0.668 31.812 32.500 -0.033 0.000 0.717 55 K HN 0.516 nan 8.250 nan 0.000 0.442 56 T N 0.801 115.343 114.554 -0.020 0.000 2.701 56 T HA -0.113 4.237 4.350 -0.000 0.000 0.263 56 T C 1.823 176.554 174.700 0.052 0.000 1.040 56 T CA 1.359 63.453 62.100 -0.011 0.000 1.147 56 T CB -0.357 68.456 68.868 -0.092 0.000 0.865 56 T HN 0.086 nan 8.240 nan 0.000 0.426 57 V N 1.478 121.422 119.914 0.050 0.000 2.392 57 V HA -0.232 3.888 4.120 -0.000 0.000 0.249 57 V C 2.507 178.672 176.094 0.118 0.000 1.059 57 V CA 2.514 64.911 62.300 0.162 0.000 1.051 57 V CB -0.596 31.308 31.823 0.135 0.000 0.658 57 V HN 0.586 nan 8.190 nan 0.000 0.455 58 Q N -1.035 118.803 119.800 0.064 0.000 2.170 58 Q HA -0.230 4.109 4.340 -0.000 0.000 0.203 58 Q C 1.775 177.803 176.000 0.047 0.000 0.976 58 Q CA 2.211 58.042 55.803 0.047 0.000 0.858 58 Q CB -0.133 28.618 28.738 0.022 0.000 0.907 58 Q HN 0.701 nan 8.270 nan 0.000 0.433 59 D N -0.206 120.225 120.400 0.052 0.000 2.120 59 D HA -0.085 4.555 4.640 -0.000 0.000 0.202 59 D C 1.918 178.256 176.300 0.063 0.000 0.972 59 D CA 2.036 56.065 54.000 0.048 0.000 0.837 59 D CB -0.189 40.636 40.800 0.042 0.000 0.989 59 D HN 0.475 nan 8.370 nan 0.000 0.469 60 T N -2.125 112.490 114.554 0.102 0.000 3.054 60 T HA 0.096 4.446 4.350 -0.000 0.000 0.259 60 T C 1.822 176.560 174.700 0.064 0.000 1.092 60 T CA 0.434 62.597 62.100 0.105 0.000 1.121 60 T CB 0.140 69.133 68.868 0.208 0.000 0.912 60 T HN -0.053 nan 8.240 nan 0.000 0.489 61 V N 0.666 120.628 119.914 0.079 0.000 3.264 61 V HA 0.033 4.153 4.120 -0.000 0.000 0.217 61 V C 2.694 178.812 176.094 0.039 0.000 1.236 61 V CA 1.027 63.354 62.300 0.045 0.000 1.287 61 V CB -0.490 31.371 31.823 0.063 0.000 1.241 61 V HN 0.326 nan 8.190 nan 0.000 0.518 62 T N 0.407 114.991 114.554 0.050 0.000 2.565 62 T HA -0.348 4.001 4.350 -0.000 0.000 0.265 62 T C 1.860 176.576 174.700 0.027 0.000 1.082 62 T CA 2.345 64.468 62.100 0.039 0.000 1.173 62 T CB -0.403 68.490 68.868 0.041 0.000 0.864 62 T HN 0.315 nan 8.240 nan 0.000 0.425 63 Q N 0.507 120.323 119.800 0.027 0.000 2.124 63 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 63 Q C 2.462 178.470 176.000 0.015 0.000 0.977 63 Q CA 1.115 56.929 55.803 0.019 0.000 0.850 63 Q CB -0.489 28.261 28.738 0.021 0.000 0.901 63 Q HN 0.454 nan 8.270 nan 0.000 0.429 64 V N 0.822 120.746 119.914 0.017 0.000 2.407 64 V HA -0.251 3.868 4.120 -0.000 0.000 0.248 64 V C 2.360 178.459 176.094 0.007 0.000 1.055 64 V CA 1.407 63.714 62.300 0.010 0.000 1.049 64 V CB -0.433 31.395 31.823 0.008 0.000 0.662 64 V HN 0.285 nan 8.190 nan 0.000 0.455 65 I N -0.462 120.113 120.570 0.010 0.000 2.235 65 I HA -0.153 4.017 4.170 -0.000 0.000 0.241 65 I C 2.555 178.676 176.117 0.006 0.000 1.085 65 I CA 1.244 62.549 61.300 0.009 0.000 1.378 65 I CB -0.439 37.569 38.000 0.013 0.000 1.076 65 I HN 0.311 nan 8.210 nan 0.000 0.415 66 E N 1.038 121.241 120.200 0.005 0.000 2.114 66 E HA -0.324 4.026 4.350 -0.000 0.000 0.199 66 E C 2.153 178.749 176.600 -0.007 0.000 1.008 66 E CA 1.787 58.185 56.400 -0.003 0.000 0.810 66 E CB -0.278 29.420 29.700 -0.004 0.000 0.739 66 E HN 0.638 nan 8.360 nan 0.000 0.456 67 Q N 0.450 120.249 119.800 -0.002 0.000 2.226 67 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 67 Q C 1.172 177.170 176.000 -0.002 0.000 0.975 67 Q CA 1.041 56.842 55.803 -0.003 0.000 0.866 67 Q CB -0.149 28.590 28.738 0.001 0.000 0.915 67 Q HN 0.172 nan 8.270 nan 0.000 0.440 68 N N -0.145 118.555 118.700 0.000 0.000 2.314 68 N HA 0.092 4.832 4.740 -0.000 0.000 0.200 68 N C 0.161 175.674 175.510 0.005 0.000 1.135 68 N CA 0.186 53.238 53.050 0.003 0.000 0.835 68 N CB 0.443 38.932 38.487 0.004 0.000 0.989 68 N HN 0.290 nan 8.380 nan 0.000 0.478 69 M N 1.233 120.833 119.600 -0.000 0.000 2.723 69 M HA 0.099 4.579 4.480 -0.000 0.000 0.270 69 M C 0.283 176.580 176.300 -0.006 0.000 1.282 69 M CA -0.173 55.127 55.300 0.001 0.000 0.995 69 M CB -1.073 31.522 32.600 -0.009 0.000 1.430 69 M HN 0.119 nan 8.290 nan 0.000 0.477 70 N N -0.575 118.123 118.700 -0.002 0.000 2.476 70 N HA 0.416 5.156 4.740 -0.000 0.000 0.276 70 N C 0.607 176.122 175.510 0.008 0.000 1.204 70 N CA 0.235 53.282 53.050 -0.005 0.000 0.974 70 N CB 0.791 39.274 38.487 -0.006 0.000 1.204 70 N HN 0.252 nan 8.380 nan 0.000 0.543 71 G N -0.101 108.704 108.800 0.008 0.000 2.333 71 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.296 71 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.296 71 G C -0.572 174.347 174.900 0.032 0.000 1.059 71 G CA 0.120 45.230 45.100 0.016 0.000 1.050 71 G HN 0.626 nan 8.290 nan 0.000 0.508 72 I N 0.382 120.981 120.570 0.048 0.000 2.466 72 I HA 0.237 4.406 4.170 -0.000 0.000 0.289 72 I C -0.483 175.705 176.117 0.119 0.000 1.026 72 I CA -1.160 60.200 61.300 0.100 0.000 1.078 72 I CB 1.589 39.683 38.000 0.157 0.000 1.249 72 I HN -0.044 nan 8.210 nan 0.000 0.429 73 D N 4.888 125.356 120.400 0.114 0.000 2.423 73 D HA 0.049 4.689 4.640 -0.000 0.000 0.238 73 D C 0.427 176.846 176.300 0.199 0.000 1.142 73 D CA 0.548 54.613 54.000 0.107 0.000 0.884 73 D CB 0.299 41.137 40.800 0.064 0.000 1.199 73 D HN 0.548 nan 8.370 nan 0.000 0.438 74 N N -0.675 118.108 118.700 0.137 0.000 2.714 74 N HA -0.190 4.550 4.740 -0.000 0.000 0.250 74 N C -0.400 175.167 175.510 0.096 0.000 1.117 74 N CA 0.116 53.257 53.050 0.152 0.000 0.719 74 N CB -0.722 37.882 38.487 0.196 0.000 1.081 74 N HN 0.345 nan 8.380 nan 0.000 0.557 75 L N 0.773 121.953 121.223 -0.071 0.000 2.315 75 L HA 0.201 4.541 4.340 -0.000 0.000 0.283 75 L C 1.099 177.759 176.870 -0.351 0.000 1.089 75 L CA 0.413 54.980 54.840 -0.454 0.000 0.833 75 L CB 0.408 42.252 42.059 -0.358 0.000 1.170 75 L HN 0.310 nan 8.230 nan 0.000 0.442 76 M N 5.917 125.222 119.600 -0.492 0.000 2.191 76 M HA -0.003 4.477 4.480 -0.000 0.000 0.262 76 M C -0.405 175.716 176.300 -0.297 0.000 1.083 76 M CA 1.310 56.389 55.300 -0.368 0.000 1.154 76 M CB 0.030 32.292 32.600 -0.563 0.000 1.344 76 M HN 0.655 nan 8.290 nan 0.000 0.431 77 Y N -2.471 117.593 120.300 -0.393 0.000 2.689 77 Y HA 0.715 5.264 4.550 -0.000 0.000 0.333 77 Y C -1.066 174.557 175.900 -0.462 0.000 1.208 77 Y CA -2.192 55.650 58.100 -0.429 0.000 1.055 77 Y CB 1.082 39.280 38.460 -0.436 0.000 1.304 77 Y HN 0.019 nan 8.280 nan 0.000 0.455 78 M N 2.979 122.409 119.600 -0.284 0.000 2.386 78 M HA 0.729 5.209 4.480 -0.000 0.000 0.293 78 M C -1.661 174.468 176.300 -0.286 0.000 1.120 78 M CA -0.391 54.766 55.300 -0.238 0.000 0.909 78 M CB 2.111 34.586 32.600 -0.208 0.000 1.661 78 M HN 1.028 nan 8.290 nan 0.000 0.452 79 S N 2.461 118.115 115.700 -0.078 0.000 2.599 79 S HA 0.976 5.446 4.470 -0.000 0.000 0.287 79 S C -1.014 173.618 174.600 0.053 0.000 1.105 79 S CA -0.400 57.820 58.200 0.034 0.000 0.899 79 S CB 2.027 65.343 63.200 0.194 0.000 1.100 79 S HN 0.929 nan 8.310 nan 0.000 0.482 80 S N 0.983 116.728 115.700 0.074 0.000 2.570 80 S HA 0.672 5.141 4.470 -0.000 0.000 0.270 80 S C -1.782 172.860 174.600 0.070 0.000 1.149 80 S CA -1.031 57.207 58.200 0.063 0.000 0.837 80 S CB 1.264 64.490 63.200 0.042 0.000 1.124 80 S HN 0.766 nan 8.310 nan 0.000 0.465 81 N N 0.426 119.164 118.700 0.064 0.000 2.265 81 N HA 0.668 5.408 4.740 -0.000 0.000 0.300 81 N C -1.533 174.008 175.510 0.051 0.000 1.148 81 N CA -0.720 52.366 53.050 0.060 0.000 0.772 81 N CB 2.211 40.736 38.487 0.063 0.000 1.434 81 N HN 0.649 nan 8.380 nan 0.000 0.481 82 S N 0.648 116.373 115.700 0.042 0.000 2.779 82 S HA 0.328 4.798 4.470 -0.000 0.000 0.293 82 S C -1.115 173.504 174.600 0.031 0.000 1.150 82 S CA -0.821 57.403 58.200 0.040 0.000 1.057 82 S CB 1.405 64.625 63.200 0.032 0.000 1.021 82 S HN 0.361 nan 8.310 nan 0.000 0.485 83 D N 1.491 121.914 120.400 0.038 0.000 2.388 83 D HA 0.299 4.939 4.640 -0.000 0.000 0.254 83 D C 1.194 177.509 176.300 0.026 0.000 1.111 83 D CA -0.444 53.575 54.000 0.033 0.000 0.993 83 D CB 0.967 41.789 40.800 0.037 0.000 1.118 83 D HN 0.463 nan 8.370 nan 0.000 0.502 84 S N -1.907 113.809 115.700 0.027 0.000 2.562 84 S HA -0.088 4.382 4.470 -0.000 0.000 0.221 84 S C 1.316 175.931 174.600 0.026 0.000 0.975 84 S CA 0.520 58.734 58.200 0.023 0.000 0.918 84 S CB -0.480 62.742 63.200 0.036 0.000 0.772 84 S HN 0.527 nan 8.310 nan 0.000 0.531 85 T N -2.396 112.180 114.554 0.036 0.000 3.163 85 T HA 0.499 4.849 4.350 -0.000 0.000 0.252 85 T C 1.465 176.196 174.700 0.052 0.000 1.056 85 T CA 0.394 62.521 62.100 0.045 0.000 0.947 85 T CB -0.415 68.484 68.868 0.052 0.000 1.016 85 T HN 0.987 nan 8.240 nan 0.000 0.554 86 G N 0.928 109.751 108.800 0.039 0.000 2.155 86 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.257 86 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.257 86 G C 0.195 175.160 174.900 0.108 0.000 0.983 86 G CA 0.481 45.618 45.100 0.061 0.000 0.676 86 G HN 0.974 nan 8.290 nan 0.000 0.528 87 T N -0.736 113.868 114.554 0.083 0.000 2.882 87 T HA 0.638 4.987 4.350 -0.000 0.000 0.287 87 T C 0.068 174.814 174.700 0.076 0.000 0.992 87 T CA 0.240 62.391 62.100 0.085 0.000 1.076 87 T CB 1.635 70.547 68.868 0.072 0.000 0.961 87 T HN 1.469 nan 8.240 nan 0.000 0.490 88 V N 4.469 124.429 119.914 0.078 0.000 2.962 88 V HA 0.722 4.842 4.120 -0.000 0.000 0.313 88 V C -1.680 174.452 176.094 0.064 0.000 1.099 88 V CA -0.540 61.801 62.300 0.068 0.000 0.971 88 V CB 2.229 34.094 31.823 0.071 0.000 1.028 88 V HN 1.011 nan 8.190 nan 0.000 0.430 89 Q N 4.975 124.811 119.800 0.061 0.000 2.268 89 Q HA 0.585 4.925 4.340 -0.000 0.000 0.266 89 Q C -1.636 174.399 176.000 0.058 0.000 1.006 89 Q CA -0.429 55.411 55.803 0.062 0.000 0.824 89 Q CB 2.661 31.442 28.738 0.071 0.000 1.306 89 Q HN 0.799 nan 8.270 nan 0.000 0.424 90 I N 1.774 122.374 120.570 0.051 0.000 2.418 90 I HA 0.389 4.559 4.170 -0.000 0.000 0.287 90 I C -0.389 175.754 176.117 0.043 0.000 1.008 90 I CA -0.469 60.855 61.300 0.040 0.000 1.104 90 I CB 2.158 40.175 38.000 0.028 0.000 1.264 90 I HN 0.392 nan 8.210 nan 0.000 0.438 91 T N 6.909 121.488 114.554 0.041 0.000 2.855 91 T HA 0.681 5.031 4.350 -0.000 0.000 0.281 91 T C -0.523 174.174 174.700 -0.006 0.000 1.007 91 T CA -0.452 61.674 62.100 0.043 0.000 1.009 91 T CB 1.544 70.453 68.868 0.068 0.000 0.983 91 T HN 0.151 nan 8.240 nan 0.000 0.455 92 L N 2.731 123.946 121.223 -0.013 0.000 2.356 92 L HA 0.522 4.861 4.340 -0.000 0.000 0.277 92 L C 0.212 176.932 176.870 -0.251 0.000 0.996 92 L CA -0.359 54.374 54.840 -0.178 0.000 0.822 92 L CB 2.165 44.164 42.059 -0.099 0.000 1.256 92 L HN 0.621 nan 8.230 nan 0.000 0.413 93 T N 2.876 117.068 114.554 -0.604 0.000 2.823 93 T HA 0.695 5.045 4.350 -0.000 0.000 0.279 93 T C -0.576 173.608 174.700 -0.861 0.000 0.998 93 T CA -0.253 61.496 62.100 -0.585 0.000 0.994 93 T CB 0.765 69.114 68.868 -0.866 0.000 0.960 93 T HN 0.045 nan 8.240 nan 0.000 0.448 94 F N 0.577 120.366 119.950 -0.269 0.000 2.572 94 F HA 0.559 5.086 4.527 -0.000 0.000 0.342 94 F C 0.801 176.509 175.800 -0.154 0.000 1.064 94 F CA -1.567 56.318 58.000 -0.192 0.000 1.008 94 F CB 0.671 39.603 39.000 -0.113 0.000 1.303 94 F HN 0.340 nan 8.300 nan 0.000 0.492 95 E N 0.044 120.295 120.200 0.085 0.000 2.452 95 E HA 0.001 4.350 4.350 -0.000 0.000 0.261 95 E C 1.175 177.822 176.600 0.078 0.000 0.987 95 E CA 0.437 56.874 56.400 0.063 0.000 0.926 95 E CB 0.931 30.678 29.700 0.078 0.000 0.934 95 E HN 0.571 nan 8.360 nan 0.000 0.452 96 S N 2.538 118.280 115.700 0.071 0.000 2.428 96 S HA -0.200 4.269 4.470 -0.000 0.000 0.240 96 S C 1.439 176.078 174.600 0.066 0.000 1.036 96 S CA 1.660 59.904 58.200 0.072 0.000 1.009 96 S CB -0.186 63.065 63.200 0.085 0.000 0.803 96 S HN 0.655 nan 8.310 nan 0.000 0.486 97 G N -0.181 108.658 108.800 0.065 0.000 3.233 97 G HA2 0.239 4.198 3.960 -0.000 0.000 0.234 97 G HA3 0.239 4.198 3.960 -0.000 0.000 0.234 97 G C 0.204 175.124 174.900 0.034 0.000 1.137 97 G CA -0.194 44.936 45.100 0.050 0.000 0.763 97 G HN 0.423 nan 8.290 nan 0.000 0.549 98 T N 1.153 115.731 114.554 0.039 0.000 2.932 98 T HA 0.100 4.450 4.350 -0.000 0.000 0.312 98 T C -0.184 174.494 174.700 -0.037 0.000 1.071 98 T CA 0.051 62.156 62.100 0.008 0.000 1.128 98 T CB 1.502 70.389 68.868 0.032 0.000 0.984 98 T HN 0.122 nan 8.240 nan 0.000 0.549 99 D N 1.258 121.619 120.400 -0.065 0.000 2.336 99 D HA 0.278 4.918 4.640 -0.000 0.000 0.249 99 D C 1.074 177.292 176.300 -0.137 0.000 1.213 99 D CA -0.393 53.561 54.000 -0.077 0.000 0.870 99 D CB 1.006 41.767 40.800 -0.064 0.000 1.076 99 D HN 0.535 nan 8.370 nan 0.000 0.483 100 A N 4.680 127.429 122.820 -0.118 0.000 1.908 100 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 100 A C 1.731 179.219 177.584 -0.161 0.000 1.181 100 A CA 1.444 53.390 52.037 -0.152 0.000 0.627 100 A CB -0.179 18.774 19.000 -0.079 0.000 0.818 100 A HN 0.592 nan 8.150 nan 0.000 0.445 101 D N -0.002 120.334 120.400 -0.107 0.000 2.104 101 D HA -0.134 4.506 4.640 -0.000 0.000 0.194 101 D C 1.862 178.095 176.300 -0.112 0.000 0.994 101 D CA 1.065 55.011 54.000 -0.091 0.000 0.830 101 D CB -0.301 40.464 40.800 -0.060 0.000 0.959 101 D HN 0.338 nan 8.370 nan 0.000 0.452 102 I N 1.146 121.642 120.570 -0.123 0.000 2.315 102 I HA -0.171 3.998 4.170 -0.000 0.000 0.248 102 I C 2.424 178.424 176.117 -0.195 0.000 1.117 102 I CA 0.560 61.785 61.300 -0.125 0.000 1.404 102 I CB -1.171 36.767 38.000 -0.103 0.000 1.071 102 I HN -0.123 nan 8.210 nan 0.000 0.419 103 A N 0.126 122.749 122.820 -0.328 0.000 1.902 103 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 103 A C 2.314 179.679 177.584 -0.364 0.000 1.181 103 A CA 1.543 53.224 52.037 -0.593 0.000 0.623 103 A CB -0.639 17.668 19.000 -1.155 0.000 0.818 103 A HN 0.433 nan 8.150 nan 0.000 0.443 104 Q N 0.181 119.840 119.800 -0.235 0.000 2.084 104 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 104 Q C 2.154 178.107 176.000 -0.078 0.000 0.978 104 Q CA 2.090 57.822 55.803 -0.118 0.000 0.844 104 Q CB -0.461 28.229 28.738 -0.080 0.000 0.898 104 Q HN 0.398 nan 8.270 nan 0.000 0.426 105 V N 1.511 121.375 119.914 -0.083 0.000 2.287 105 V HA -0.301 3.818 4.120 -0.000 0.000 0.248 105 V C 2.539 178.608 176.094 -0.042 0.000 1.053 105 V CA 2.217 64.485 62.300 -0.053 0.000 1.027 105 V CB -0.595 31.196 31.823 -0.053 0.000 0.646 105 V HN 0.435 nan 8.190 nan 0.000 0.447 106 Q N -0.740 119.026 119.800 -0.057 0.000 2.084 106 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 106 Q C 2.346 178.348 176.000 0.004 0.000 0.978 106 Q CA 1.829 57.617 55.803 -0.025 0.000 0.844 106 Q CB -0.322 28.399 28.738 -0.028 0.000 0.898 106 Q HN 0.562 nan 8.270 nan 0.000 0.426 107 V N 1.051 120.970 119.914 0.008 0.000 2.261 107 V HA -0.323 3.797 4.120 -0.000 0.000 0.246 107 V C 2.358 178.467 176.094 0.024 0.000 1.047 107 V CA 2.212 64.540 62.300 0.046 0.000 1.015 107 V CB -0.720 31.144 31.823 0.067 0.000 0.642 107 V HN 0.432 nan 8.190 nan 0.000 0.446 108 Q N -0.032 119.772 119.800 0.007 0.000 2.096 108 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 108 Q C 2.175 178.177 176.000 0.003 0.000 0.982 108 Q CA 1.958 57.763 55.803 0.004 0.000 0.850 108 Q CB -0.159 28.576 28.738 -0.004 0.000 0.901 108 Q HN 0.628 nan 8.270 nan 0.000 0.422 109 N N 0.154 118.854 118.700 0.000 0.000 2.149 109 N HA -0.132 4.608 4.740 -0.000 0.000 0.188 109 N C 1.456 176.969 175.510 0.005 0.000 1.019 109 N CA 1.016 54.067 53.050 0.001 0.000 0.857 109 N CB -0.006 38.480 38.487 -0.002 0.000 0.997 109 N HN 0.162 nan 8.380 nan 0.000 0.426 110 K N 0.717 121.124 120.400 0.011 0.000 2.137 110 K HA 0.042 4.361 4.320 -0.000 0.000 0.202 110 K C 1.877 178.484 176.600 0.011 0.000 1.052 110 K CA 0.074 56.368 56.287 0.012 0.000 0.961 110 K CB -0.603 31.909 32.500 0.020 0.000 0.741 110 K HN 0.127 nan 8.250 nan 0.000 0.452 111 L N 2.085 123.316 121.223 0.013 0.000 2.191 111 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 111 L C 2.347 179.220 176.870 0.005 0.000 1.103 111 L CA 1.669 56.515 54.840 0.010 0.000 0.769 111 L CB -0.373 41.694 42.059 0.014 0.000 0.908 111 L HN 0.184 nan 8.230 nan 0.000 0.438 112 Q N -0.712 119.090 119.800 0.003 0.000 2.084 112 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 112 Q C 2.071 178.070 176.000 -0.001 0.000 0.978 112 Q CA 1.506 57.309 55.803 0.000 0.000 0.844 112 Q CB -0.141 28.597 28.738 -0.000 0.000 0.898 112 Q HN 0.471 nan 8.270 nan 0.000 0.426 113 L N 0.314 121.537 121.223 0.000 0.000 2.187 113 L HA -0.121 4.219 4.340 -0.000 0.000 0.213 113 L C 2.247 179.116 176.870 -0.002 0.000 1.100 113 L CA 1.821 56.661 54.840 -0.000 0.000 0.765 113 L CB -1.319 40.741 42.059 0.001 0.000 0.904 113 L HN 0.207 nan 8.230 nan 0.000 0.437 114 A N -2.233 120.586 122.820 -0.002 0.000 2.044 114 A HA -0.016 4.304 4.320 -0.000 0.000 0.213 114 A C 2.157 179.735 177.584 -0.010 0.000 1.169 114 A CA 0.354 52.388 52.037 -0.004 0.000 0.724 114 A CB -0.171 18.829 19.000 -0.001 0.000 0.840 114 A HN 0.173 nan 8.150 nan 0.000 0.463 115 M N 0.502 120.097 119.600 -0.009 0.000 2.113 115 M HA -0.169 4.311 4.480 -0.000 0.000 0.255 115 M C -0.473 175.815 176.300 -0.021 0.000 1.073 115 M CA 2.192 57.483 55.300 -0.015 0.000 1.091 115 M CB -2.343 30.250 32.600 -0.010 0.000 1.309 115 M HN 0.282 nan 8.290 nan 0.000 0.407 116 P HA -0.081 nan 4.420 nan 0.000 0.226 116 P C 1.425 178.712 177.300 -0.021 0.000 1.153 116 P CA 1.131 64.219 63.100 -0.018 0.000 0.777 116 P CB -0.206 31.486 31.700 -0.012 0.000 0.794 117 L N -1.171 120.040 121.223 -0.020 0.000 2.611 117 L HA 0.175 4.514 4.340 -0.000 0.000 0.229 117 L C 1.138 177.990 176.870 -0.031 0.000 1.137 117 L CA -0.126 54.702 54.840 -0.019 0.000 0.901 117 L CB -0.338 41.715 42.059 -0.010 0.000 1.098 117 L HN -0.081 nan 8.230 nan 0.000 0.456 118 L N -0.162 121.033 121.223 -0.048 0.000 2.360 118 L HA 0.431 4.771 4.340 -0.000 0.000 0.271 118 L C -2.099 174.696 176.870 -0.124 0.000 1.057 118 L CA -2.152 52.637 54.840 -0.084 0.000 0.803 118 L CB 0.654 42.662 42.059 -0.084 0.000 1.207 118 L HN -0.229 nan 8.230 nan 0.000 0.445 119 P HA -0.053 nan 4.420 nan 0.000 0.266 119 P C 0.005 177.184 177.300 -0.201 0.000 1.193 119 P CA -0.003 62.937 63.100 -0.267 0.000 0.770 119 P CB 0.582 31.881 31.700 -0.668 0.000 0.836 120 Q N 3.014 122.744 119.800 -0.117 0.000 2.061 120 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 120 Q C 1.638 177.593 176.000 -0.076 0.000 0.984 120 Q CA 2.003 57.764 55.803 -0.071 0.000 0.846 120 Q CB -0.525 28.193 28.738 -0.032 0.000 0.902 120 Q HN 0.497 nan 8.270 nan 0.000 0.421 121 E N -0.715 119.435 120.200 -0.083 0.000 2.409 121 E HA -0.087 4.263 4.350 -0.000 0.000 0.198 121 E C 1.715 178.271 176.600 -0.074 0.000 1.024 121 E CA 0.940 57.319 56.400 -0.035 0.000 0.861 121 E CB -0.188 29.551 29.700 0.064 0.000 0.788 121 E HN 0.296 nan 8.360 nan 0.000 0.521 122 V N 1.236 121.027 119.914 -0.205 0.000 2.599 122 V HA -0.159 3.961 4.120 -0.000 0.000 0.245 122 V C 2.401 178.450 176.094 -0.074 0.000 1.046 122 V CA 1.314 63.514 62.300 -0.167 0.000 1.065 122 V CB -0.331 31.319 31.823 -0.289 0.000 0.703 122 V HN 0.169 nan 8.190 nan 0.000 0.464 123 Q N -0.459 119.296 119.800 -0.076 0.000 2.079 123 Q HA -0.200 4.140 4.340 -0.000 0.000 0.200 123 Q C 2.341 178.334 176.000 -0.012 0.000 0.974 123 Q CA 1.235 57.015 55.803 -0.038 0.000 0.840 123 Q CB -0.182 28.532 28.738 -0.040 0.000 0.898 123 Q HN 0.568 nan 8.270 nan 0.000 0.430 124 Q N 0.363 120.158 119.800 -0.009 0.000 2.234 124 Q HA -0.201 4.139 4.340 -0.000 0.000 0.206 124 Q C 1.615 177.638 176.000 0.038 0.000 0.980 124 Q CA 1.214 57.026 55.803 0.015 0.000 0.869 124 Q CB -0.087 28.663 28.738 0.019 0.000 0.912 124 Q HN 0.298 nan 8.270 nan 0.000 0.436 125 Q N -0.444 119.380 119.800 0.040 0.000 2.424 125 Q HA 0.209 4.549 4.340 -0.000 0.000 0.204 125 Q C -0.113 175.915 176.000 0.047 0.000 0.933 125 Q CA 0.613 56.453 55.803 0.062 0.000 0.929 125 Q CB 0.360 29.143 28.738 0.075 0.000 1.037 125 Q HN 0.452 nan 8.270 nan 0.000 0.511 126 G N -0.026 108.791 108.800 0.028 0.000 2.854 126 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.686 126 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.686 126 G C -0.551 174.363 174.900 0.024 0.000 1.202 126 G CA -0.097 45.017 45.100 0.023 0.000 0.878 126 G HN 0.698 nan 8.290 nan 0.000 0.583 127 V N 0.476 120.401 119.914 0.018 0.000 2.378 127 V HA 0.897 5.017 4.120 -0.000 0.000 0.288 127 V C 0.426 176.534 176.094 0.023 0.000 1.016 127 V CA 0.161 62.474 62.300 0.021 0.000 0.840 127 V CB 1.402 33.233 31.823 0.015 0.000 0.994 127 V HN 2.075 nan 8.190 nan 0.000 0.431 128 S N 4.376 120.093 115.700 0.029 0.000 2.525 128 S HA 0.660 5.130 4.470 -0.000 0.000 0.278 128 S C -0.305 174.313 174.600 0.030 0.000 1.234 128 S CA -0.509 57.708 58.200 0.028 0.000 1.058 128 S CB 1.539 64.759 63.200 0.033 0.000 0.983 128 S HN 1.687 nan 8.310 nan 0.000 0.495 129 V N 3.007 122.936 119.914 0.025 0.000 2.304 129 V HA 0.508 4.627 4.120 -0.000 0.000 0.278 129 V C -0.766 175.341 176.094 0.023 0.000 1.018 129 V CA -0.235 62.081 62.300 0.026 0.000 0.814 129 V CB 0.498 32.332 31.823 0.020 0.000 1.021 129 V HN 1.049 nan 8.190 nan 0.000 0.440 130 E N 4.617 124.836 120.200 0.031 0.000 2.288 130 E HA 0.482 4.832 4.350 -0.000 0.000 0.268 130 E C -0.969 175.651 176.600 0.032 0.000 0.885 130 E CA -0.968 55.449 56.400 0.028 0.000 0.767 130 E CB 2.382 32.102 29.700 0.033 0.000 1.220 130 E HN 0.584 nan 8.360 nan 0.000 0.427 131 K N 1.262 121.674 120.400 0.021 0.000 2.350 131 K HA 0.223 4.542 4.320 -0.000 0.000 0.279 131 K C -0.303 176.321 176.600 0.039 0.000 1.027 131 K CA 0.042 56.343 56.287 0.023 0.000 0.969 131 K CB 0.709 33.212 32.500 0.005 0.000 0.954 131 K HN 0.494 nan 8.250 nan 0.000 0.474 132 S N 0.186 115.916 115.700 0.051 0.000 2.661 132 S HA 0.659 5.128 4.470 -0.000 0.000 0.285 132 S C -0.858 173.775 174.600 0.055 0.000 1.138 132 S CA -0.995 57.238 58.200 0.054 0.000 0.855 132 S CB 1.797 65.034 63.200 0.062 0.000 1.136 132 S HN 0.576 nan 8.310 nan 0.000 0.484 133 S N -0.606 115.123 115.700 0.048 0.000 2.588 133 S HA 0.654 5.124 4.470 -0.000 0.000 0.275 133 S C 0.402 175.013 174.600 0.018 0.000 1.130 133 S CA -0.148 58.079 58.200 0.045 0.000 0.855 133 S CB 1.388 64.621 63.200 0.054 0.000 1.116 133 S HN 0.852 nan 8.310 nan 0.000 0.472 134 S N 0.875 116.579 115.700 0.008 0.000 2.421 134 S HA 0.241 4.711 4.470 -0.000 0.000 0.224 134 S C 0.771 175.290 174.600 -0.135 0.000 1.035 134 S CA 0.460 58.632 58.200 -0.046 0.000 0.953 134 S CB -0.303 62.870 63.200 -0.044 0.000 0.810 134 S HN 0.726 nan 8.310 nan 0.000 0.497 135 S N 0.337 115.998 115.700 -0.065 0.000 2.687 135 S HA 0.612 5.081 4.470 -0.000 0.000 0.283 135 S C -0.832 173.763 174.600 -0.008 0.000 1.170 135 S CA -0.573 57.610 58.200 -0.027 0.000 1.008 135 S CB 0.652 63.933 63.200 0.135 0.000 1.026 135 S HN 0.362 nan 8.310 nan 0.000 0.541 136 F N 1.492 121.659 119.950 0.362 0.000 2.384 136 F HA 0.275 4.801 4.527 -0.001 0.000 0.338 136 F C 1.097 177.086 175.800 0.315 0.000 1.103 136 F CA -0.561 57.638 58.000 0.332 0.000 1.157 136 F CB 0.703 39.922 39.000 0.366 0.000 1.167 136 F HN 0.422 nan 8.300 nan 0.000 0.529 137 L N 3.957 125.420 121.223 0.401 0.000 2.023 137 L HA 0.078 4.418 4.340 -0.000 0.000 0.205 137 L C 0.332 177.372 176.870 0.283 0.000 1.073 137 L CA 1.658 56.664 54.840 0.277 0.000 0.745 137 L CB -0.222 41.954 42.059 0.194 0.000 0.900 137 L HN 0.657 nan 8.230 nan 0.000 0.435 138 M N -2.809 116.963 119.600 0.288 0.000 2.813 138 M HA 0.559 5.039 4.480 -0.000 0.000 0.270 138 M C -1.548 174.821 176.300 0.115 0.000 1.267 138 M CA -0.918 54.518 55.300 0.226 0.000 0.822 138 M CB 2.147 34.823 32.600 0.126 0.000 1.671 138 M HN -0.370 nan 8.290 nan 0.000 0.468 139 V N 1.961 121.857 119.914 -0.030 0.000 2.447 139 V HA 0.455 4.575 4.120 -0.000 0.000 0.292 139 V C -0.675 175.206 176.094 -0.356 0.000 1.021 139 V CA -0.689 61.388 62.300 -0.373 0.000 0.850 139 V CB 1.689 32.990 31.823 -0.871 0.000 1.005 139 V HN 0.687 nan 8.190 nan 0.000 0.426 140 V N 4.340 124.062 119.914 -0.320 0.000 2.406 140 V HA 0.675 4.795 4.120 -0.000 0.000 0.272 140 V C 0.952 176.778 176.094 -0.447 0.000 1.043 140 V CA -0.005 62.104 62.300 -0.319 0.000 0.915 140 V CB 1.375 33.081 31.823 -0.195 0.000 0.988 140 V HN 0.910 nan 8.190 nan 0.000 0.466 141 G N 3.389 111.874 108.800 -0.526 0.000 2.434 141 G HA2 0.653 4.612 3.960 -0.000 0.000 0.330 141 G HA3 0.653 4.612 3.960 -0.000 0.000 0.330 141 G C -1.165 173.530 174.900 -0.341 0.000 1.155 141 G CA -0.516 44.328 45.100 -0.426 0.000 0.917 141 G HN 0.587 nan 8.290 nan 0.000 0.493 142 V N 1.697 121.501 119.914 -0.184 0.000 2.668 142 V HA 0.557 4.676 4.120 -0.000 0.000 0.304 142 V C -0.087 175.929 176.094 -0.129 0.000 1.071 142 V CA -0.522 61.662 62.300 -0.193 0.000 0.894 142 V CB 1.169 32.886 31.823 -0.177 0.000 1.008 142 V HN 0.884 nan 8.190 nan 0.000 0.425 143 I N 0.801 121.283 120.570 -0.147 0.000 3.264 143 I HA 0.717 4.887 4.170 -0.000 0.000 0.315 143 I C -0.972 175.093 176.117 -0.086 0.000 1.154 143 I CA -0.802 60.449 61.300 -0.081 0.000 0.962 143 I CB 2.602 40.581 38.000 -0.034 0.000 1.265 143 I HN 0.526 nan 8.210 nan 0.000 0.463 144 N N 1.003 119.672 118.700 -0.051 0.000 2.399 144 N HA 0.256 4.996 4.740 -0.000 0.000 0.280 144 N C 0.203 175.702 175.510 -0.018 0.000 1.008 144 N CA -0.064 52.956 53.050 -0.050 0.000 0.894 144 N CB 2.183 40.638 38.487 -0.053 0.000 1.273 144 N HN 0.899 nan 8.380 nan 0.000 0.486 145 T N -0.978 113.568 114.554 -0.013 0.000 3.054 145 T HA -0.054 4.295 4.350 -0.000 0.000 0.259 145 T C 0.713 175.415 174.700 0.004 0.000 1.092 145 T CA 0.622 62.725 62.100 0.004 0.000 1.121 145 T CB -0.097 68.777 68.868 0.009 0.000 0.912 145 T HN 0.560 nan 8.240 nan 0.000 0.489 146 D N 0.755 121.153 120.400 -0.003 0.000 2.427 146 D HA 0.283 4.923 4.640 -0.000 0.000 0.224 146 D C 1.547 177.848 176.300 0.001 0.000 1.157 146 D CA -0.057 53.943 54.000 -0.000 0.000 0.828 146 D CB -0.704 40.095 40.800 -0.001 0.000 0.974 146 D HN 0.411 nan 8.370 nan 0.000 0.498 147 G N 0.837 109.637 108.800 0.000 0.000 2.225 147 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.272 147 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.272 147 G C 0.974 175.877 174.900 0.005 0.000 0.996 147 G CA 1.189 46.291 45.100 0.003 0.000 0.710 147 G HN 0.706 nan 8.290 nan 0.000 0.522 148 T N -2.573 111.981 114.554 0.000 0.000 3.278 148 T HA 0.677 5.027 4.350 -0.000 0.000 0.251 148 T C 0.476 175.180 174.700 0.007 0.000 1.039 148 T CA 0.177 62.281 62.100 0.006 0.000 0.935 148 T CB 0.015 68.886 68.868 0.004 0.000 1.034 148 T HN 0.408 nan 8.240 nan 0.000 0.575 149 M N 2.095 121.697 119.600 0.003 0.000 2.284 149 M HA 0.300 4.780 4.480 -0.000 0.000 0.281 149 M C -0.225 176.082 176.300 0.011 0.000 1.083 149 M CA -0.672 54.632 55.300 0.006 0.000 0.965 149 M CB 2.729 35.313 32.600 -0.028 0.000 1.717 149 M HN 0.300 nan 8.290 nan 0.000 0.479 150 T N -1.633 112.942 114.554 0.034 0.000 2.771 150 T HA 0.207 4.556 4.350 -0.000 0.000 0.290 150 T C 0.814 175.520 174.700 0.010 0.000 1.005 150 T CA -0.324 61.796 62.100 0.033 0.000 0.944 150 T CB 1.125 70.032 68.868 0.064 0.000 1.147 150 T HN 0.808 nan 8.240 nan 0.000 0.534 151 Q N -0.059 119.745 119.800 0.006 0.000 2.046 151 Q HA -0.146 4.193 4.340 -0.000 0.000 0.200 151 Q C 2.225 178.196 176.000 -0.049 0.000 0.975 151 Q CA 1.658 57.450 55.803 -0.019 0.000 0.836 151 Q CB -0.180 28.551 28.738 -0.012 0.000 0.896 151 Q HN 0.824 nan 8.270 nan 0.000 0.428 152 E N 0.257 120.445 120.200 -0.021 0.000 2.110 152 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 152 E C 1.721 178.160 176.600 -0.267 0.000 0.988 152 E CA 1.115 57.465 56.400 -0.085 0.000 0.804 152 E CB 0.018 29.797 29.700 0.130 0.000 0.745 152 E HN 0.428 nan 8.360 nan 0.000 0.458 153 D N 0.559 120.919 120.400 -0.067 0.000 2.097 153 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 153 D C 2.077 178.302 176.300 -0.125 0.000 0.984 153 D CA 0.894 54.857 54.000 -0.060 0.000 0.826 153 D CB -0.008 40.838 40.800 0.077 0.000 0.973 153 D HN 0.168 nan 8.370 nan 0.000 0.460 154 I N 0.875 121.391 120.570 -0.090 0.000 2.179 154 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 154 I C 2.523 178.582 176.117 -0.096 0.000 1.088 154 I CA 0.697 61.950 61.300 -0.079 0.000 1.357 154 I CB -0.289 37.666 38.000 -0.075 0.000 1.051 154 I HN -0.123 nan 8.210 nan 0.000 0.409 155 S N 0.350 115.964 115.700 -0.143 0.000 2.370 155 S HA -0.272 4.197 4.470 -0.000 0.000 0.226 155 S C 1.666 176.137 174.600 -0.215 0.000 1.033 155 S CA 2.025 60.131 58.200 -0.158 0.000 1.011 155 S CB -0.429 62.670 63.200 -0.167 0.000 0.852 155 S HN 0.533 nan 8.310 nan 0.000 0.457 156 D N -0.088 120.100 120.400 -0.354 0.000 2.097 156 D HA -0.166 4.474 4.640 -0.000 0.000 0.195 156 D C 1.801 178.001 176.300 -0.167 0.000 0.989 156 D CA 1.049 54.828 54.000 -0.369 0.000 0.827 156 D CB -0.266 40.095 40.800 -0.731 0.000 0.966 156 D HN 0.432 nan 8.370 nan 0.000 0.456 157 Y N 0.360 120.545 120.300 -0.193 0.000 2.165 157 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 157 Y C 2.208 178.024 175.900 -0.140 0.000 1.155 157 Y CA 1.882 59.901 58.100 -0.135 0.000 1.164 157 Y CB -0.593 37.777 38.460 -0.150 0.000 0.978 157 Y HN 0.036 nan 8.280 nan 0.000 0.513 158 V N 0.254 120.101 119.914 -0.111 0.000 2.548 158 V HA -0.095 4.025 4.120 -0.000 0.000 0.249 158 V C 2.137 178.116 176.094 -0.191 0.000 1.055 158 V CA 1.872 64.074 62.300 -0.162 0.000 1.065 158 V CB -0.911 30.851 31.823 -0.102 0.000 0.681 158 V HN 0.467 nan 8.190 nan 0.000 0.462 159 A N -0.114 122.601 122.820 -0.175 0.000 1.968 159 A HA 0.280 4.600 4.320 -0.000 0.000 0.217 159 A C 2.275 179.762 177.584 -0.161 0.000 1.169 159 A CA 1.633 53.578 52.037 -0.153 0.000 0.638 159 A CB -0.654 18.264 19.000 -0.137 0.000 0.812 159 A HN 0.952 nan 8.150 nan 0.000 0.446 160 A N -1.408 121.290 122.820 -0.203 0.000 2.220 160 A HA 0.172 4.492 4.320 -0.000 0.000 0.211 160 A C 1.360 178.788 177.584 -0.259 0.000 1.176 160 A CA 0.705 52.624 52.037 -0.196 0.000 0.834 160 A CB 0.012 18.921 19.000 -0.151 0.000 0.868 160 A HN 0.472 nan 8.150 nan 0.000 0.488 161 N N -2.015 116.458 118.700 -0.379 0.000 2.067 161 N HA 0.250 4.990 4.740 -0.000 0.000 0.227 161 N C 0.827 176.195 175.510 -0.237 0.000 1.348 161 N CA 0.402 53.221 53.050 -0.386 0.000 0.879 161 N CB 0.565 38.597 38.487 -0.758 0.000 1.109 161 N HN 0.400 nan 8.380 nan 0.000 0.501 162 M N -0.148 119.335 119.600 -0.195 0.000 2.504 162 M HA 0.169 4.649 4.480 -0.000 0.000 0.222 162 M C 1.936 178.196 176.300 -0.067 0.000 1.566 162 M CA 0.177 55.430 55.300 -0.079 0.000 1.099 162 M CB 0.550 33.122 32.600 -0.046 0.000 1.428 162 M HN -0.183 nan 8.290 nan 0.000 0.556 163 K N 1.425 121.768 120.400 -0.095 0.000 2.032 163 K HA -0.259 4.061 4.320 -0.000 0.000 0.218 163 K C 1.227 177.792 176.600 -0.060 0.000 1.054 163 K CA 2.565 58.802 56.287 -0.083 0.000 0.941 163 K CB -0.107 32.333 32.500 -0.100 0.000 0.720 163 K HN 0.153 nan 8.250 nan 0.000 0.449 164 D N -0.124 120.238 120.400 -0.064 0.000 2.106 164 D HA -0.195 4.445 4.640 -0.000 0.000 0.191 164 D C 1.783 178.063 176.300 -0.033 0.000 0.997 164 D CA 1.759 55.730 54.000 -0.048 0.000 0.834 164 D CB -0.409 40.358 40.800 -0.056 0.000 0.956 164 D HN 0.435 nan 8.370 nan 0.000 0.448 165 A N 0.573 123.373 122.820 -0.032 0.000 1.933 165 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 165 A C 2.181 179.763 177.584 -0.004 0.000 1.175 165 A CA 0.828 52.856 52.037 -0.016 0.000 0.628 165 A CB -0.437 18.558 19.000 -0.009 0.000 0.814 165 A HN 0.149 nan 8.150 nan 0.000 0.444 166 I N 1.003 121.569 120.570 -0.007 0.000 2.315 166 I HA -0.170 3.999 4.170 -0.000 0.000 0.248 166 I C 2.769 178.886 176.117 0.002 0.000 1.117 166 I CA 1.940 63.241 61.300 0.002 0.000 1.404 166 I CB -1.365 36.630 38.000 -0.007 0.000 1.071 166 I HN 0.526 nan 8.210 nan 0.000 0.419 167 S N 1.115 116.810 115.700 -0.008 0.000 2.423 167 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 167 S C 1.854 176.456 174.600 0.004 0.000 1.014 167 S CA 0.618 58.817 58.200 -0.001 0.000 0.965 167 S CB -0.358 62.837 63.200 -0.009 0.000 0.785 167 S HN 0.468 nan 8.310 nan 0.000 0.495 168 R N 1.008 121.508 120.500 0.000 0.000 2.334 168 R HA 0.211 4.551 4.340 -0.000 0.000 0.216 168 R C -0.058 176.246 176.300 0.007 0.000 0.905 168 R CA 0.079 56.180 56.100 0.002 0.000 1.064 168 R CB -0.105 30.193 30.300 -0.004 0.000 1.046 168 R HN 0.284 nan 8.270 nan 0.000 0.508 169 T N 1.229 115.789 114.554 0.011 0.000 2.932 169 T HA -0.040 4.310 4.350 -0.000 0.000 0.312 169 T C 0.420 175.131 174.700 0.018 0.000 1.071 169 T CA 0.251 62.360 62.100 0.016 0.000 1.128 169 T CB 1.336 70.217 68.868 0.022 0.000 0.984 169 T HN 0.020 nan 8.240 nan 0.000 0.549 170 S N 1.543 117.253 115.700 0.017 0.000 2.546 170 S HA 0.328 4.798 4.470 -0.000 0.000 0.290 170 S C 1.638 176.252 174.600 0.024 0.000 1.290 170 S CA 0.691 58.902 58.200 0.017 0.000 1.069 170 S CB -0.608 62.600 63.200 0.014 0.000 0.846 170 S HN 1.205 nan 8.310 nan 0.000 0.495 171 G N 2.966 111.781 108.800 0.025 0.000 2.184 171 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.264 171 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.264 171 G C 0.181 175.106 174.900 0.041 0.000 0.975 171 G CA 0.239 45.359 45.100 0.032 0.000 0.642 171 G HN 1.009 nan 8.290 nan 0.000 0.536 172 V N 1.673 121.610 119.914 0.038 0.000 2.470 172 V HA 0.572 4.692 4.120 -0.000 0.000 0.276 172 V C 1.496 177.617 176.094 0.045 0.000 1.040 172 V CA 0.429 62.757 62.300 0.046 0.000 1.008 172 V CB 0.803 32.649 31.823 0.039 0.000 0.990 172 V HN 0.601 nan 8.190 nan 0.000 0.477 173 G N 3.585 112.420 108.800 0.058 0.000 2.666 173 G HA2 0.205 4.165 3.960 -0.000 0.000 0.207 173 G HA3 0.205 4.165 3.960 -0.000 0.000 0.207 173 G C -0.189 174.747 174.900 0.060 0.000 1.481 173 G CA -0.451 44.682 45.100 0.056 0.000 1.071 173 G HN 0.739 nan 8.290 nan 0.000 0.572 174 D N -1.736 118.705 120.400 0.067 0.000 2.449 174 D HA 0.245 4.884 4.640 -0.000 0.000 0.236 174 D C -0.176 176.180 176.300 0.093 0.000 1.149 174 D CA 0.237 54.282 54.000 0.074 0.000 0.878 174 D CB 0.787 41.638 40.800 0.085 0.000 1.198 174 D HN 0.076 nan 8.370 nan 0.000 0.446 175 V N 2.914 122.866 119.914 0.062 0.000 2.540 175 V HA 0.335 4.455 4.120 -0.000 0.000 0.302 175 V C -0.465 175.619 176.094 -0.016 0.000 1.035 175 V CA -0.791 61.525 62.300 0.027 0.000 0.873 175 V CB 1.533 33.343 31.823 -0.022 0.000 0.992 175 V HN 0.570 nan 8.190 nan 0.000 0.428 176 Q N 3.967 123.709 119.800 -0.097 0.000 2.333 176 Q HA 0.474 4.814 4.340 -0.000 0.000 0.265 176 Q C -1.249 174.376 176.000 -0.625 0.000 0.989 176 Q CA -0.287 55.363 55.803 -0.255 0.000 0.842 176 Q CB 1.659 30.299 28.738 -0.162 0.000 1.262 176 Q HN 0.727 nan 8.270 nan 0.000 0.451 177 L N 6.098 127.063 121.223 -0.430 0.000 2.265 177 L HA 0.408 4.747 4.340 -0.000 0.000 0.288 177 L C -0.999 175.624 176.870 -0.412 0.000 1.058 177 L CA -0.242 54.355 54.840 -0.405 0.000 0.809 177 L CB 0.160 42.103 42.059 -0.192 0.000 1.179 177 L HN 0.827 nan 8.230 nan 0.000 0.429 178 F N 5.339 125.224 119.950 -0.108 0.000 2.640 178 F HA 0.422 4.949 4.527 -0.000 0.000 0.354 178 F C 1.096 176.872 175.800 -0.041 0.000 1.213 178 F CA 0.043 57.998 58.000 -0.074 0.000 1.314 178 F CB 0.426 39.417 39.000 -0.015 0.000 1.679 178 F HN 0.695 nan 8.300 nan 0.000 0.622 179 G N -0.283 108.562 108.800 0.075 0.000 2.360 179 G HA2 0.348 4.308 3.960 -0.000 0.000 0.276 179 G HA3 0.348 4.308 3.960 -0.000 0.000 0.276 179 G C -1.733 173.142 174.900 -0.041 0.000 1.256 179 G CA -0.599 44.505 45.100 0.006 0.000 0.890 179 G HN 0.228 nan 8.290 nan 0.000 0.486 180 S N -1.326 114.312 115.700 -0.103 0.000 2.588 180 S HA 0.648 5.118 4.470 -0.000 0.000 0.275 180 S C -0.846 173.666 174.600 -0.147 0.000 1.130 180 S CA -0.248 57.887 58.200 -0.109 0.000 0.855 180 S CB 1.846 64.969 63.200 -0.129 0.000 1.116 180 S HN 0.845 nan 8.310 nan 0.000 0.472 181 Q N 1.557 121.300 119.800 -0.095 0.000 2.260 181 Q HA 0.384 4.724 4.340 -0.000 0.000 0.242 181 Q C -1.186 174.820 176.000 0.011 0.000 0.932 181 Q CA -0.501 55.249 55.803 -0.088 0.000 0.891 181 Q CB 0.445 29.153 28.738 -0.050 0.000 1.222 181 Q HN 0.687 nan 8.270 nan 0.000 0.453 182 Y N 0.606 120.905 120.300 -0.003 0.000 2.426 182 Y HA 0.350 4.900 4.550 -0.001 0.000 0.344 182 Y C 0.259 176.216 175.900 0.096 0.000 1.256 182 Y CA 0.014 58.139 58.100 0.042 0.000 1.451 182 Y CB 0.925 39.430 38.460 0.075 0.000 1.342 182 Y HN 0.685 nan 8.280 nan 0.000 0.600 183 A N 2.512 125.533 122.820 0.336 0.000 2.572 183 A HA 0.596 4.915 4.320 -0.000 0.000 0.295 183 A C -1.186 176.496 177.584 0.163 0.000 1.072 183 A CA -1.000 51.227 52.037 0.317 0.000 0.691 183 A CB 1.260 20.458 19.000 0.331 0.000 1.291 183 A HN 0.624 nan 8.150 nan 0.000 0.404 184 M N 1.960 121.581 119.600 0.036 0.000 2.227 184 M HA 0.328 4.807 4.480 -0.000 0.000 0.349 184 M C -0.223 175.820 176.300 -0.429 0.000 1.443 184 M CA 0.128 55.072 55.300 -0.594 0.000 1.110 184 M CB -0.259 31.402 32.600 -1.565 0.000 1.773 184 M HN 0.506 nan 8.290 nan 0.000 0.463 185 R N 5.969 126.213 120.500 -0.428 0.000 2.295 185 R HA 0.471 4.811 4.340 -0.000 0.000 0.324 185 R C -1.153 174.774 176.300 -0.621 0.000 0.968 185 R CA -0.447 55.312 56.100 -0.568 0.000 0.837 185 R CB 0.813 30.753 30.300 -0.600 0.000 1.133 185 R HN 0.651 nan 8.270 nan 0.000 0.450 186 I N 3.859 124.083 120.570 -0.577 0.000 2.371 186 I HA 0.217 4.386 4.170 -0.000 0.000 0.282 186 I C -0.391 175.559 176.117 -0.277 0.000 1.031 186 I CA -0.964 60.145 61.300 -0.318 0.000 1.180 186 I CB 0.500 38.398 38.000 -0.169 0.000 1.336 186 I HN 0.388 nan 8.210 nan 0.000 0.467 187 W N 6.830 128.146 121.300 0.027 0.000 2.342 187 W HA 0.485 5.145 4.660 -0.000 0.000 0.310 187 W C 0.383 176.944 176.519 0.071 0.000 1.128 187 W CA -0.663 56.709 57.345 0.044 0.000 1.322 187 W CB 0.714 30.190 29.460 0.028 0.000 1.251 187 W HN 0.282 nan 8.180 nan 0.000 0.439 188 M N 3.321 123.117 119.600 0.328 0.000 2.255 188 M HA 0.131 4.611 4.480 -0.000 0.000 0.336 188 M C 0.321 176.716 176.300 0.159 0.000 1.135 188 M CA -0.004 55.447 55.300 0.252 0.000 1.145 188 M CB 0.603 33.398 32.600 0.325 0.000 1.473 188 M HN 0.338 nan 8.290 nan 0.000 0.462 189 N N 3.411 122.090 118.700 -0.035 0.000 2.479 189 N HA 0.287 5.026 4.740 -0.000 0.000 0.261 189 N C -2.188 172.982 175.510 -0.567 0.000 0.979 189 N CA -1.878 50.939 53.050 -0.389 0.000 0.930 189 N CB 1.893 40.258 38.487 -0.203 0.000 1.172 189 N HN 0.326 nan 8.380 nan 0.000 0.499 190 P HA -0.089 nan 4.420 nan 0.000 0.220 190 P C 0.461 177.410 177.300 -0.585 0.000 1.148 190 P CA 1.054 63.487 63.100 -1.111 0.000 0.803 190 P CB 0.718 31.190 31.700 -2.045 0.000 0.782 191 N N 0.433 118.796 118.700 -0.563 0.000 2.083 191 N HA -0.107 4.632 4.740 -0.000 0.000 0.190 191 N C 1.776 177.115 175.510 -0.286 0.000 1.047 191 N CA 1.124 53.973 53.050 -0.335 0.000 0.845 191 N CB -0.981 37.355 38.487 -0.252 0.000 1.025 191 N HN 0.106 nan 8.380 nan 0.000 0.428 192 E N 0.421 120.472 120.200 -0.250 0.000 2.160 192 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 192 E C 1.838 178.371 176.600 -0.110 0.000 0.991 192 E CA 0.460 56.744 56.400 -0.193 0.000 0.810 192 E CB -0.255 29.416 29.700 -0.048 0.000 0.742 192 E HN 0.179 nan 8.360 nan 0.000 0.466 193 L N 1.403 122.579 121.223 -0.079 0.000 2.156 193 L HA -0.077 4.262 4.340 -0.000 0.000 0.208 193 L C 1.893 178.768 176.870 0.009 0.000 1.095 193 L CA 1.493 56.357 54.840 0.040 0.000 0.770 193 L CB -0.653 41.426 42.059 0.034 0.000 0.914 193 L HN 0.124 nan 8.230 nan 0.000 0.439 194 N N -0.067 118.559 118.700 -0.123 0.000 2.173 194 N HA -0.200 4.540 4.740 -0.000 0.000 0.184 194 N C 1.593 176.964 175.510 -0.232 0.000 1.025 194 N CA 0.818 53.751 53.050 -0.194 0.000 0.852 194 N CB 0.031 38.288 38.487 -0.383 0.000 0.998 194 N HN 0.400 nan 8.380 nan 0.000 0.427 195 K N -0.529 119.668 120.400 -0.338 0.000 2.589 195 K HA -0.121 4.199 4.320 -0.000 0.000 0.195 195 K C 0.346 176.653 176.600 -0.487 0.000 1.040 195 K CA 1.196 57.213 56.287 -0.450 0.000 0.950 195 K CB -0.239 31.903 32.500 -0.597 0.000 0.781 195 K HN 0.331 nan 8.250 nan 0.000 0.486 196 F N 0.492 120.407 119.950 -0.058 0.000 2.746 196 F HA 0.194 4.721 4.527 -0.000 0.000 0.320 196 F C -0.365 175.423 175.800 -0.020 0.000 1.097 196 F CA -0.947 57.035 58.000 -0.031 0.000 1.195 196 F CB 0.496 39.484 39.000 -0.019 0.000 1.056 196 F HN -0.075 nan 8.300 nan 0.000 0.562 197 Q N 1.240 121.101 119.800 0.102 0.000 2.478 197 Q HA -0.179 4.160 4.340 -0.000 0.000 0.286 197 Q C -0.893 175.176 176.000 0.115 0.000 1.299 197 Q CA 0.406 56.254 55.803 0.076 0.000 0.826 197 Q CB -1.816 26.961 28.738 0.065 0.000 1.199 197 Q HN 0.459 nan 8.270 nan 0.000 0.451 198 L N -0.561 120.747 121.223 0.141 0.000 2.303 198 L HA 0.806 5.146 4.340 -0.000 0.000 0.266 198 L C 0.631 177.605 176.870 0.174 0.000 1.011 198 L CA -0.544 54.384 54.840 0.147 0.000 0.818 198 L CB 1.963 44.113 42.059 0.151 0.000 1.326 198 L HN 0.205 nan 8.230 nan 0.000 0.435 199 T N -3.598 111.062 114.554 0.177 0.000 2.887 199 T HA 0.430 4.779 4.350 -0.000 0.000 0.292 199 T C -2.469 172.353 174.700 0.204 0.000 1.087 199 T CA -1.879 60.358 62.100 0.228 0.000 1.009 199 T CB 2.016 71.019 68.868 0.225 0.000 1.203 199 T HN 0.202 nan 8.240 nan 0.000 0.518 200 P HA -0.060 nan 4.420 nan 0.000 0.219 200 P C 1.701 179.076 177.300 0.126 0.000 1.146 200 P CA 0.470 63.677 63.100 0.180 0.000 0.808 200 P CB -0.113 31.687 31.700 0.166 0.000 0.779 201 V N 0.641 120.629 119.914 0.123 0.000 2.255 201 V HA -0.279 3.840 4.120 -0.000 0.000 0.247 201 V C 2.006 178.144 176.094 0.075 0.000 1.051 201 V CA 2.208 64.561 62.300 0.089 0.000 1.018 201 V CB -1.184 30.689 31.823 0.084 0.000 0.641 201 V HN 0.174 nan 8.190 nan 0.000 0.445 202 D N 0.010 120.460 120.400 0.082 0.000 2.133 202 D HA -0.156 4.484 4.640 -0.000 0.000 0.195 202 D C 2.175 178.510 176.300 0.059 0.000 0.997 202 D CA 1.608 55.647 54.000 0.064 0.000 0.840 202 D CB -0.277 40.565 40.800 0.070 0.000 0.947 202 D HN 0.374 nan 8.370 nan 0.000 0.452 203 V N 1.729 121.689 119.914 0.076 0.000 2.261 203 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 203 V C 2.630 178.760 176.094 0.060 0.000 1.047 203 V CA 1.228 63.571 62.300 0.072 0.000 1.015 203 V CB -0.443 31.435 31.823 0.092 0.000 0.642 203 V HN 0.172 nan 8.190 nan 0.000 0.446 204 I N -0.029 120.576 120.570 0.060 0.000 2.208 204 I HA -0.261 3.908 4.170 -0.000 0.000 0.245 204 I C 2.559 178.695 176.117 0.032 0.000 1.097 204 I CA 1.924 63.251 61.300 0.045 0.000 1.363 204 I CB -0.812 37.213 38.000 0.041 0.000 1.051 204 I HN 0.333 nan 8.210 nan 0.000 0.413 205 T N 0.872 115.445 114.554 0.031 0.000 2.674 205 T HA -0.184 4.166 4.350 -0.000 0.000 0.265 205 T C 2.101 176.810 174.700 0.014 0.000 1.039 205 T CA 1.628 63.740 62.100 0.019 0.000 1.150 205 T CB -0.371 68.508 68.868 0.020 0.000 0.864 205 T HN 0.498 nan 8.240 nan 0.000 0.427 206 A N 0.966 123.797 122.820 0.018 0.000 1.940 206 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 206 A C 2.292 179.881 177.584 0.009 0.000 1.176 206 A CA 1.343 53.385 52.037 0.009 0.000 0.631 206 A CB -0.815 18.191 19.000 0.010 0.000 0.814 206 A HN 0.553 nan 8.150 nan 0.000 0.446 207 I N -0.732 119.858 120.570 0.034 0.000 2.202 207 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 207 I C 2.485 178.621 176.117 0.031 0.000 1.091 207 I CA 1.620 62.954 61.300 0.057 0.000 1.368 207 I CB -0.357 37.711 38.000 0.114 0.000 1.058 207 I HN 0.290 nan 8.210 nan 0.000 0.410 208 K N 0.983 121.394 120.400 0.019 0.000 2.032 208 K HA -0.180 4.139 4.320 -0.000 0.000 0.209 208 K C 2.249 178.845 176.600 -0.008 0.000 1.048 208 K CA 1.705 57.993 56.287 0.002 0.000 0.927 208 K CB -0.296 32.199 32.500 -0.009 0.000 0.712 208 K HN 0.326 nan 8.250 nan 0.000 0.441 209 A N 1.103 123.917 122.820 -0.010 0.000 1.898 209 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 209 A C 1.823 179.388 177.584 -0.032 0.000 1.181 209 A CA 1.248 53.274 52.037 -0.018 0.000 0.620 209 A CB -0.217 18.773 19.000 -0.015 0.000 0.819 209 A HN 0.302 nan 8.150 nan 0.000 0.442 210 Q N -1.364 118.410 119.800 -0.043 0.000 2.360 210 Q HA 0.063 4.402 4.340 -0.000 0.000 0.202 210 Q C -0.149 175.779 176.000 -0.119 0.000 0.915 210 Q CA 0.090 55.847 55.803 -0.077 0.000 0.943 210 Q CB 0.198 28.885 28.738 -0.085 0.000 1.064 210 Q HN 0.556 nan 8.270 nan 0.000 0.511 211 N N 0.861 119.506 118.700 -0.091 0.000 2.904 211 N HA 0.379 5.118 4.740 -0.000 0.000 0.257 211 N C -1.655 173.843 175.510 -0.020 0.000 1.363 211 N CA -0.170 52.822 53.050 -0.097 0.000 0.856 211 N CB 0.792 39.234 38.487 -0.074 0.000 1.166 211 N HN 0.106 nan 8.380 nan 0.000 0.499 212 A N 1.089 123.893 122.820 -0.026 0.000 2.437 212 A HA 0.723 5.042 4.320 -0.000 0.000 0.292 212 A C -1.015 176.566 177.584 -0.005 0.000 1.173 212 A CA -0.527 51.505 52.037 -0.008 0.000 0.785 212 A CB 1.489 20.480 19.000 -0.015 0.000 1.351 212 A HN 0.357 nan 8.150 nan 0.000 0.431 213 Q N 1.191 120.991 119.800 -0.001 0.000 2.932 213 Q HA 0.349 4.689 4.340 -0.000 0.000 0.248 213 Q C -1.343 174.655 176.000 -0.005 0.000 0.982 213 Q CA -0.156 55.647 55.803 -0.000 0.000 0.730 213 Q CB 1.314 30.056 28.738 0.006 0.000 1.249 213 Q HN 0.516 nan 8.270 nan 0.000 0.476 214 V N 1.519 121.428 119.914 -0.008 0.000 2.488 214 V HA 0.402 4.522 4.120 -0.000 0.000 0.277 214 V C 0.530 176.620 176.094 -0.008 0.000 1.046 214 V CA -0.530 61.765 62.300 -0.009 0.000 0.986 214 V CB 1.013 32.829 31.823 -0.011 0.000 0.989 214 V HN 0.625 nan 8.190 nan 0.000 0.475 215 A N 4.248 127.063 122.820 -0.007 0.000 2.309 215 A HA 0.689 5.008 4.320 -0.000 0.000 0.290 215 A C 0.784 178.363 177.584 -0.007 0.000 1.206 215 A CA 0.204 52.238 52.037 -0.006 0.000 0.850 215 A CB 0.623 19.620 19.000 -0.006 0.000 1.118 215 A HN 1.333 nan 8.150 nan 0.000 0.523 216 A N 2.682 125.498 122.820 -0.007 0.000 2.606 216 A HA 0.586 4.906 4.320 -0.000 0.000 0.290 216 A C 1.209 178.789 177.584 -0.006 0.000 1.174 216 A CA 0.806 52.839 52.037 -0.007 0.000 0.958 216 A CB -0.848 18.148 19.000 -0.007 0.000 1.194 216 A HN 2.716 nan 8.150 nan 0.000 0.526 217 G N -0.053 108.743 108.800 -0.006 0.000 2.539 217 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.256 217 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.256 217 G C -0.302 174.595 174.900 -0.005 0.000 1.233 217 G CA 0.324 45.421 45.100 -0.005 0.000 0.936 217 G HN 0.793 nan 8.290 nan 0.000 0.571 218 Q N -1.511 118.287 119.800 -0.004 0.000 2.615 218 Q HA 0.731 5.071 4.340 -0.000 0.000 0.298 218 Q C -0.904 175.094 176.000 -0.004 0.000 1.023 218 Q CA -0.953 54.847 55.803 -0.004 0.000 0.768 218 Q CB 2.232 30.968 28.738 -0.004 0.000 1.500 218 Q HN 0.542 nan 8.270 nan 0.000 0.441 219 L N 0.461 121.682 121.223 -0.004 0.000 2.313 219 L HA 0.545 4.885 4.340 -0.000 0.000 0.283 219 L C 0.695 177.563 176.870 -0.003 0.000 1.013 219 L CA -0.055 54.783 54.840 -0.003 0.000 0.816 219 L CB 1.483 43.539 42.059 -0.003 0.000 1.236 219 L HN 1.014 nan 8.230 nan 0.000 0.419 220 G N 2.298 111.096 108.800 -0.003 0.000 2.160 220 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.251 220 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.251 220 G C 0.486 175.384 174.900 -0.003 0.000 1.008 220 G CA 0.061 45.159 45.100 -0.003 0.000 0.724 220 G HN 0.940 nan 8.290 nan 0.000 0.514 221 G N -0.471 108.327 108.800 -0.003 0.000 2.634 221 G HA2 0.640 4.599 3.960 -0.000 0.000 0.255 221 G HA3 0.640 4.599 3.960 -0.000 0.000 0.255 221 G C 0.624 175.522 174.900 -0.003 0.000 1.205 221 G CA 0.651 45.749 45.100 -0.003 0.000 0.884 221 G HN 1.346 nan 8.290 nan 0.000 0.549 222 T N -0.290 114.262 114.554 -0.003 0.000 2.897 222 T HA 0.547 4.897 4.350 -0.000 0.000 0.294 222 T C -1.843 172.855 174.700 -0.003 0.000 1.004 222 T CA -1.160 60.938 62.100 -0.003 0.000 1.106 222 T CB 1.358 70.224 68.868 -0.003 0.000 0.949 222 T HN 0.471 nan 8.240 nan 0.000 0.520 223 P HA 0.415 nan 4.420 nan 0.000 0.281 223 P C -2.503 174.795 177.300 -0.003 0.000 1.252 223 P CA -1.212 61.886 63.100 -0.003 0.000 0.778 223 P CB 0.512 32.211 31.700 -0.003 0.000 0.895 224 P HA 0.240 nan 4.420 nan 0.000 0.287 224 P C -0.852 176.446 177.300 -0.002 0.000 1.296 224 P CA -0.588 62.511 63.100 -0.002 0.000 0.811 224 P CB 1.115 32.814 31.700 -0.002 0.000 1.211 225 V N 2.001 121.914 119.914 -0.002 0.000 2.385 225 V HA 0.110 4.230 4.120 -0.000 0.000 0.269 225 V C 0.817 176.910 176.094 -0.002 0.000 1.043 225 V CA -0.692 61.606 62.300 -0.002 0.000 0.906 225 V CB 0.403 32.225 31.823 -0.002 0.000 0.995 225 V HN 0.448 nan 8.190 nan 0.000 0.467 226 K N 3.766 124.165 120.400 -0.002 0.000 2.511 226 K HA 0.102 4.422 4.320 -0.000 0.000 0.277 226 K C 1.194 177.793 176.600 -0.002 0.000 1.025 226 K CA 1.141 57.427 56.287 -0.002 0.000 1.112 226 K CB 0.000 32.499 32.500 -0.002 0.000 0.859 226 K HN 1.177 nan 8.250 nan 0.000 0.485 227 G N 1.893 110.692 108.800 -0.002 0.000 2.255 227 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.196 227 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.196 227 G C -0.030 174.869 174.900 -0.002 0.000 0.998 227 G CA -0.561 44.538 45.100 -0.002 0.000 0.656 227 G HN 0.472 nan 8.290 nan 0.000 0.490 228 Q N 0.103 119.902 119.800 -0.002 0.000 2.304 228 Q HA 0.239 4.579 4.340 -0.000 0.000 0.301 228 Q C 1.201 177.199 176.000 -0.002 0.000 1.063 228 Q CA 0.801 56.603 55.803 -0.002 0.000 0.947 228 Q CB 1.349 30.086 28.738 -0.002 0.000 1.201 228 Q HN 0.620 nan 8.270 nan 0.000 0.389 229 Q N 1.573 121.372 119.800 -0.002 0.000 2.462 229 Q HA 0.173 4.513 4.340 -0.000 0.000 0.224 229 Q C -0.373 175.626 176.000 -0.002 0.000 0.911 229 Q CA 0.101 55.903 55.803 -0.002 0.000 0.925 229 Q CB 0.472 29.209 28.738 -0.002 0.000 1.063 229 Q HN 0.511 nan 8.270 nan 0.000 0.572 230 L N 1.799 123.021 121.223 -0.002 0.000 2.290 230 L HA 0.376 4.716 4.340 -0.000 0.000 0.284 230 L C -1.050 175.819 176.870 -0.002 0.000 1.078 230 L CA 0.330 55.168 54.840 -0.002 0.000 0.815 230 L CB 0.881 42.939 42.059 -0.002 0.000 1.162 230 L HN 0.161 nan 8.230 nan 0.000 0.435 231 N N 4.416 123.114 118.700 -0.002 0.000 2.461 231 N HA 0.769 5.509 4.740 -0.000 0.000 0.284 231 N C -1.745 173.764 175.510 -0.003 0.000 1.049 231 N CA -0.333 52.715 53.050 -0.003 0.000 0.889 231 N CB 1.431 39.917 38.487 -0.003 0.000 1.365 231 N HN 0.815 nan 8.380 nan 0.000 0.499 232 A N 2.264 125.082 122.820 -0.003 0.000 2.517 232 A HA 0.472 4.791 4.320 -0.000 0.000 0.297 232 A C -0.732 176.850 177.584 -0.003 0.000 1.050 232 A CA -0.592 51.443 52.037 -0.003 0.000 0.694 232 A CB 1.529 20.527 19.000 -0.003 0.000 1.277 232 A HN 0.500 nan 8.150 nan 0.000 0.400 233 S N 1.048 116.745 115.700 -0.004 0.000 2.564 233 S HA 0.424 4.893 4.470 -0.000 0.000 0.278 233 S C 0.089 174.686 174.600 -0.004 0.000 1.333 233 S CA 0.015 58.213 58.200 -0.004 0.000 1.048 233 S CB 0.145 63.343 63.200 -0.004 0.000 0.900 233 S HN 0.471 nan 8.310 nan 0.000 0.505 234 I N 3.779 124.347 120.570 -0.005 0.000 2.321 234 I HA 0.291 4.461 4.170 -0.000 0.000 0.291 234 I C -0.510 175.604 176.117 -0.006 0.000 0.998 234 I CA -0.391 60.906 61.300 -0.005 0.000 1.227 234 I CB 0.841 38.838 38.000 -0.006 0.000 1.368 234 I HN 0.355 nan 8.210 nan 0.000 0.466 235 I N 6.268 126.834 120.570 -0.006 0.000 2.330 235 I HA 0.371 4.541 4.170 -0.000 0.000 0.286 235 I C 0.758 176.870 176.117 -0.008 0.000 1.025 235 I CA 0.033 61.329 61.300 -0.006 0.000 1.197 235 I CB 0.879 38.876 38.000 -0.006 0.000 1.358 235 I HN 0.641 nan 8.210 nan 0.000 0.467 236 A N 6.980 129.794 122.820 -0.009 0.000 3.591 236 A HA 0.333 4.653 4.320 -0.000 0.000 0.163 236 A C 0.527 178.103 177.584 -0.014 0.000 1.876 236 A CA -0.131 51.899 52.037 -0.012 0.000 1.380 236 A CB -0.023 18.970 19.000 -0.012 0.000 1.777 236 A HN 0.657 nan 8.150 nan 0.000 0.720 237 Q N 0.205 119.995 119.800 -0.017 0.000 2.364 237 Q HA 0.384 4.723 4.340 -0.000 0.000 0.267 237 Q C -0.346 175.645 176.000 -0.016 0.000 0.999 237 Q CA 0.544 56.334 55.803 -0.021 0.000 0.886 237 Q CB 0.513 29.235 28.738 -0.026 0.000 1.243 237 Q HN 0.754 nan 8.270 nan 0.000 0.415 238 T N -0.574 113.969 114.554 -0.018 0.000 2.907 238 T HA 0.561 4.910 4.350 -0.000 0.000 0.292 238 T C -0.299 174.396 174.700 -0.008 0.000 1.043 238 T CA -1.219 60.877 62.100 -0.007 0.000 1.003 238 T CB 1.403 70.269 68.868 -0.003 0.000 1.084 238 T HN 0.378 nan 8.240 nan 0.000 0.483 239 R N 0.909 121.419 120.500 0.017 0.000 2.678 239 R HA 0.264 4.604 4.340 -0.000 0.000 0.264 239 R C 0.154 176.476 176.300 0.036 0.000 0.995 239 R CA -0.086 56.043 56.100 0.048 0.000 1.098 239 R CB -0.463 29.895 30.300 0.098 0.000 0.949 239 R HN 0.618 nan 8.270 nan 0.000 0.422 240 L N 1.146 122.361 121.223 -0.013 0.000 2.466 240 L HA 0.199 4.539 4.340 -0.000 0.000 0.257 240 L C 1.402 178.394 176.870 0.203 0.000 1.189 240 L CA 0.335 55.114 54.840 -0.102 0.000 0.813 240 L CB 0.804 42.468 42.059 -0.659 0.000 1.118 240 L HN 0.897 nan 8.230 nan 0.000 0.471 241 T N -4.061 110.612 114.554 0.198 0.000 3.087 241 T HA 0.219 4.569 4.350 -0.000 0.000 0.283 241 T C 0.103 174.993 174.700 0.317 0.000 0.956 241 T CA 0.135 62.438 62.100 0.338 0.000 0.894 241 T CB 0.202 69.183 68.868 0.187 0.000 1.160 241 T HN 0.644 nan 8.240 nan 0.000 0.532 242 S N -0.125 115.712 115.700 0.230 0.000 2.588 242 S HA 0.444 4.914 4.470 -0.000 0.000 0.269 242 S C 0.947 175.646 174.600 0.166 0.000 1.157 242 S CA -0.019 58.277 58.200 0.161 0.000 0.824 242 S CB 1.117 64.382 63.200 0.109 0.000 1.126 242 S HN 0.166 nan 8.310 nan 0.000 0.464 243 T N -0.174 114.424 114.554 0.073 0.000 2.759 243 T HA -0.106 4.244 4.350 -0.000 0.000 0.269 243 T C 1.291 176.046 174.700 0.092 0.000 1.042 243 T CA 1.885 64.019 62.100 0.056 0.000 1.140 243 T CB -0.791 68.074 68.868 -0.004 0.000 0.864 243 T HN 0.646 nan 8.240 nan 0.000 0.455 244 E N 1.753 121.991 120.200 0.064 0.000 2.049 244 E HA -0.135 4.215 4.350 -0.000 0.000 0.198 244 E C 2.299 178.917 176.600 0.031 0.000 1.007 244 E CA 1.694 58.120 56.400 0.043 0.000 0.809 244 E CB -0.439 29.279 29.700 0.031 0.000 0.749 244 E HN 0.713 nan 8.360 nan 0.000 0.450 245 E N -0.554 119.655 120.200 0.016 0.000 2.031 245 E HA -0.156 4.193 4.350 -0.000 0.000 0.193 245 E C 1.993 178.524 176.600 -0.115 0.000 0.994 245 E CA 1.021 57.378 56.400 -0.072 0.000 0.800 245 E CB -0.301 29.320 29.700 -0.132 0.000 0.752 245 E HN 0.193 nan 8.360 nan 0.000 0.447 246 F N 0.735 120.638 119.950 -0.078 0.000 2.126 246 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 246 F C 2.490 178.253 175.800 -0.061 0.000 1.096 246 F CA 1.340 59.287 58.000 -0.090 0.000 1.255 246 F CB -0.821 38.089 39.000 -0.149 0.000 0.997 246 F HN 0.103 nan 8.300 nan 0.000 0.479 247 G N 0.345 109.221 108.800 0.128 0.000 2.469 247 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.219 247 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.219 247 G C 1.362 176.278 174.900 0.027 0.000 1.150 247 G CA 1.110 46.250 45.100 0.068 0.000 0.763 247 G HN 0.478 nan 8.290 nan 0.000 0.561 248 K N 0.156 120.557 120.400 0.001 0.000 2.520 248 K HA 0.338 4.657 4.320 -0.000 0.000 0.205 248 K C 0.241 176.818 176.600 -0.039 0.000 1.035 248 K CA -0.431 55.843 56.287 -0.021 0.000 1.188 248 K CB -0.007 32.478 32.500 -0.026 0.000 0.894 248 K HN 0.211 nan 8.250 nan 0.000 0.497 249 I N 2.774 123.323 120.570 -0.036 0.000 2.581 249 I HA -0.076 4.094 4.170 -0.000 0.000 0.285 249 I C 0.062 176.154 176.117 -0.040 0.000 1.129 249 I CA -0.521 60.750 61.300 -0.049 0.000 1.397 249 I CB 0.393 38.375 38.000 -0.029 0.000 1.399 249 I HN 0.243 nan 8.210 nan 0.000 0.537 250 L N 8.657 129.851 121.223 -0.048 0.000 2.456 250 L HA 0.098 4.438 4.340 -0.000 0.000 0.277 250 L C 0.535 177.375 176.870 -0.049 0.000 1.124 250 L CA 0.646 55.454 54.840 -0.053 0.000 0.880 250 L CB 0.320 42.349 42.059 -0.050 0.000 1.192 250 L HN 0.576 nan 8.230 nan 0.000 0.463 251 L N 4.325 125.511 121.223 -0.062 0.000 2.062 251 L HA 0.115 4.455 4.340 -0.000 0.000 0.202 251 L C 0.679 177.515 176.870 -0.057 0.000 1.079 251 L CA 0.829 55.637 54.840 -0.052 0.000 0.755 251 L CB -0.382 41.638 42.059 -0.066 0.000 0.913 251 L HN 0.729 nan 8.230 nan 0.000 0.445 252 K N -0.378 119.969 120.400 -0.089 0.000 2.575 252 K HA 0.527 4.847 4.320 -0.000 0.000 0.279 252 K C -1.182 175.364 176.600 -0.091 0.000 0.969 252 K CA -0.902 55.340 56.287 -0.074 0.000 0.868 252 K CB 2.207 34.671 32.500 -0.059 0.000 1.457 252 K HN -0.141 nan 8.250 nan 0.000 0.426 253 V N -0.083 119.795 119.914 -0.060 0.000 2.417 253 V HA 0.494 4.614 4.120 -0.000 0.000 0.291 253 V C -0.516 175.555 176.094 -0.038 0.000 1.024 253 V CA -0.840 61.427 62.300 -0.054 0.000 0.861 253 V CB 1.143 32.944 31.823 -0.038 0.000 0.985 253 V HN 0.780 nan 8.190 nan 0.000 0.436 254 N N 3.513 122.191 118.700 -0.036 0.000 2.399 254 N HA 0.128 4.868 4.740 -0.000 0.000 0.250 254 N C 0.934 176.442 175.510 -0.003 0.000 1.272 254 N CA -0.420 52.624 53.050 -0.010 0.000 0.928 254 N CB 0.867 39.358 38.487 0.007 0.000 1.158 254 N HN 0.745 nan 8.380 nan 0.000 0.463 255 Q N 0.777 120.580 119.800 0.006 0.000 2.061 255 Q HA -0.197 4.142 4.340 -0.000 0.000 0.204 255 Q C 1.186 177.189 176.000 0.005 0.000 0.984 255 Q CA 1.437 57.243 55.803 0.005 0.000 0.846 255 Q CB -0.446 28.297 28.738 0.009 0.000 0.902 255 Q HN 0.620 nan 8.270 nan 0.000 0.421 256 D N -0.953 119.452 120.400 0.009 0.000 2.191 256 D HA -0.202 4.438 4.640 -0.000 0.000 0.195 256 D C 1.106 177.408 176.300 0.004 0.000 1.003 256 D CA 2.168 56.174 54.000 0.010 0.000 0.867 256 D CB -0.032 40.779 40.800 0.018 0.000 0.926 256 D HN 0.500 nan 8.370 nan 0.000 0.450 257 G N -0.922 107.877 108.800 -0.002 0.000 2.192 257 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.193 257 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.193 257 G C 0.266 175.158 174.900 -0.013 0.000 0.999 257 G CA 0.412 45.507 45.100 -0.008 0.000 0.659 257 G HN 0.428 nan 8.290 nan 0.000 0.503 258 S N 0.645 116.338 115.700 -0.012 0.000 2.580 258 S HA 0.619 5.088 4.470 -0.000 0.000 0.274 258 S C 0.528 175.098 174.600 -0.051 0.000 1.329 258 S CA -0.169 58.019 58.200 -0.020 0.000 1.036 258 S CB 1.054 64.252 63.200 -0.002 0.000 0.919 258 S HN 0.489 nan 8.310 nan 0.000 0.515 259 R N 0.989 121.449 120.500 -0.066 0.000 2.460 259 R HA 0.536 4.876 4.340 -0.000 0.000 0.303 259 R C -1.351 174.851 176.300 -0.163 0.000 0.968 259 R CA -0.636 55.406 56.100 -0.097 0.000 0.889 259 R CB 1.380 31.640 30.300 -0.068 0.000 1.123 259 R HN 0.329 nan 8.270 nan 0.000 0.455 260 V N 5.731 125.504 119.914 -0.235 0.000 2.347 260 V HA 0.346 4.465 4.120 -0.000 0.000 0.280 260 V C -0.277 175.682 176.094 -0.225 0.000 1.021 260 V CA -0.537 61.535 62.300 -0.379 0.000 0.847 260 V CB 1.132 32.572 31.823 -0.638 0.000 0.990 260 V HN 0.529 nan 8.190 nan 0.000 0.444 261 L N 4.756 125.881 121.223 -0.163 0.000 2.334 261 L HA 0.421 4.761 4.340 -0.000 0.000 0.276 261 L C 1.108 177.953 176.870 -0.043 0.000 1.014 261 L CA -0.787 54.004 54.840 -0.081 0.000 0.815 261 L CB 1.526 43.555 42.059 -0.050 0.000 1.268 261 L HN 0.445 nan 8.230 nan 0.000 0.428 262 L N 2.204 123.421 121.223 -0.010 0.000 2.085 262 L HA -0.267 4.073 4.340 -0.000 0.000 0.218 262 L C 2.590 179.487 176.870 0.045 0.000 1.080 262 L CA 1.994 56.852 54.840 0.031 0.000 0.776 262 L CB -0.688 41.404 42.059 0.056 0.000 0.891 262 L HN 0.695 nan 8.230 nan 0.000 0.437 263 R N -0.756 119.766 120.500 0.037 0.000 2.226 263 R HA -0.180 4.159 4.340 -0.000 0.000 0.246 263 R C 1.259 177.594 176.300 0.059 0.000 1.161 263 R CA 1.701 57.828 56.100 0.046 0.000 0.997 263 R CB -0.203 30.116 30.300 0.032 0.000 0.870 263 R HN 0.579 nan 8.270 nan 0.000 0.465 264 D N -1.110 119.324 120.400 0.056 0.000 2.367 264 D HA -0.040 4.600 4.640 -0.000 0.000 0.207 264 D C 1.321 177.730 176.300 0.182 0.000 1.034 264 D CA 0.718 54.786 54.000 0.113 0.000 0.861 264 D CB 0.755 41.611 40.800 0.095 0.000 0.943 264 D HN 0.269 nan 8.370 nan 0.000 0.515 265 V N -2.965 117.033 119.914 0.140 0.000 3.477 265 V HA 0.719 4.839 4.120 -0.000 0.000 0.297 265 V C 0.450 176.607 176.094 0.106 0.000 1.433 265 V CA -0.182 62.207 62.300 0.148 0.000 1.052 265 V CB 0.176 32.097 31.823 0.162 0.000 0.895 265 V HN 0.060 nan 8.190 nan 0.000 0.438 266 A N -0.040 122.844 122.820 0.106 0.000 2.599 266 A HA 0.739 5.059 4.320 -0.000 0.000 0.290 266 A C -1.125 176.536 177.584 0.128 0.000 1.101 266 A CA -0.853 51.258 52.037 0.124 0.000 0.674 266 A CB 1.697 20.766 19.000 0.115 0.000 1.277 266 A HN 0.180 nan 8.150 nan 0.000 0.419 267 K N 0.875 121.384 120.400 0.182 0.000 2.185 267 K HA 0.619 4.939 4.320 -0.000 0.000 0.269 267 K C -1.097 175.604 176.600 0.168 0.000 0.987 267 K CA -0.516 55.884 56.287 0.188 0.000 0.865 267 K CB 0.679 33.326 32.500 0.246 0.000 1.090 267 K HN 0.531 nan 8.250 nan 0.000 0.450 268 I N 4.276 124.904 120.570 0.097 0.000 2.406 268 I HA 0.363 4.533 4.170 -0.000 0.000 0.290 268 I C -0.356 175.767 176.117 0.011 0.000 0.999 268 I CA -0.521 60.785 61.300 0.009 0.000 1.124 268 I CB 0.910 38.909 38.000 -0.003 0.000 1.289 268 I HN 0.806 nan 8.210 nan 0.000 0.441 269 E N 5.767 125.941 120.200 -0.043 0.000 2.401 269 E HA 0.509 4.859 4.350 -0.000 0.000 0.280 269 E C -1.726 174.800 176.600 -0.123 0.000 1.039 269 E CA -0.967 55.413 56.400 -0.033 0.000 0.814 269 E CB 1.618 31.378 29.700 0.099 0.000 1.275 269 E HN 0.339 nan 8.360 nan 0.000 0.448 270 L N 1.043 122.142 121.223 -0.207 0.000 2.426 270 L HA 0.639 4.978 4.340 -0.000 0.000 0.271 270 L C 0.539 177.215 176.870 -0.322 0.000 1.169 270 L CA 0.632 55.238 54.840 -0.391 0.000 0.836 270 L CB 0.752 42.369 42.059 -0.736 0.000 1.112 270 L HN 0.817 nan 8.230 nan 0.000 0.465 271 G N 1.103 109.853 108.800 -0.083 0.000 2.601 271 G HA2 0.490 4.450 3.960 -0.000 0.000 0.291 271 G HA3 0.490 4.450 3.960 -0.000 0.000 0.291 271 G C -0.788 174.327 174.900 0.357 0.000 1.456 271 G CA -0.328 44.956 45.100 0.307 0.000 0.804 271 G HN 0.775 nan 8.290 nan 0.000 0.499 272 G N -0.907 107.910 108.800 0.029 0.000 2.594 272 G HA2 0.406 4.365 3.960 -0.000 0.000 0.243 272 G HA3 0.406 4.365 3.960 -0.000 0.000 0.243 272 G C 0.704 175.597 174.900 -0.012 0.000 1.229 272 G CA 0.023 45.059 45.100 -0.107 0.000 0.843 272 G HN 0.670 nan 8.290 nan 0.000 0.578 273 E N -0.071 120.149 120.200 0.032 0.000 2.204 273 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 273 E C 0.635 177.159 176.600 -0.128 0.000 0.990 273 E CA 1.257 57.687 56.400 0.050 0.000 0.821 273 E CB -0.044 29.735 29.700 0.130 0.000 0.750 273 E HN 0.679 nan 8.360 nan 0.000 0.477 274 N N -1.890 116.782 118.700 -0.046 0.000 2.708 274 N HA 0.103 4.843 4.740 -0.000 0.000 0.257 274 N C -1.213 174.331 175.510 0.057 0.000 1.373 274 N CA -0.748 52.341 53.050 0.064 0.000 0.843 274 N CB 0.500 39.007 38.487 0.034 0.000 1.503 274 N HN -0.177 nan 8.380 nan 0.000 0.504 275 Y N -0.733 119.599 120.300 0.053 0.000 2.716 275 Y HA 0.358 4.907 4.550 -0.000 0.000 0.260 275 Y C 0.158 176.091 175.900 0.055 0.000 1.141 275 Y CA -0.645 57.495 58.100 0.067 0.000 1.168 275 Y CB 0.340 38.847 38.460 0.079 0.000 1.189 275 Y HN 0.579 nan 8.280 nan 0.000 0.549 276 D N 0.376 120.877 120.400 0.168 0.000 2.194 276 D HA 0.047 4.687 4.640 -0.000 0.000 0.204 276 D C 0.544 176.918 176.300 0.123 0.000 0.964 276 D CA 1.148 55.227 54.000 0.132 0.000 0.846 276 D CB 0.770 41.639 40.800 0.116 0.000 0.962 276 D HN 0.256 nan 8.370 nan 0.000 0.490 277 I N 1.396 122.038 120.570 0.121 0.000 2.359 277 I HA 0.311 4.480 4.170 -0.000 0.000 0.294 277 I C -0.239 175.925 176.117 0.078 0.000 0.987 277 I CA -0.382 60.997 61.300 0.133 0.000 1.225 277 I CB 1.758 39.875 38.000 0.195 0.000 1.366 277 I HN -0.295 nan 8.210 nan 0.000 0.466 278 I N 5.466 126.067 120.570 0.050 0.000 2.548 278 I HA 0.552 4.722 4.170 -0.000 0.000 0.287 278 I C -0.498 175.577 176.117 -0.071 0.000 1.103 278 I CA -0.464 60.835 61.300 -0.001 0.000 1.049 278 I CB 2.039 40.042 38.000 0.005 0.000 1.232 278 I HN 0.595 nan 8.210 nan 0.000 0.429 279 A N 5.887 128.628 122.820 -0.131 0.000 2.374 279 A HA 0.879 5.198 4.320 -0.000 0.000 0.317 279 A C -0.877 176.486 177.584 -0.368 0.000 1.094 279 A CA -0.544 51.287 52.037 -0.343 0.000 0.765 279 A CB 1.608 20.316 19.000 -0.486 0.000 1.268 279 A HN 0.708 nan 8.150 nan 0.000 0.438 280 E N 0.483 120.393 120.200 -0.483 0.000 2.288 280 E HA 0.475 4.825 4.350 -0.000 0.000 0.268 280 E C -1.911 174.509 176.600 -0.300 0.000 0.885 280 E CA -0.507 55.717 56.400 -0.292 0.000 0.767 280 E CB 2.661 32.258 29.700 -0.173 0.000 1.220 280 E HN 0.486 nan 8.360 nan 0.000 0.427 281 F N 2.497 122.316 119.950 -0.218 0.000 2.458 281 F HA 0.295 4.822 4.527 -0.000 0.000 0.336 281 F C 0.435 176.216 175.800 -0.032 0.000 1.114 281 F CA -0.891 57.075 58.000 -0.058 0.000 0.987 281 F CB 0.772 39.813 39.000 0.068 0.000 1.130 281 F HN 0.386 nan 8.300 nan 0.000 0.458 282 N N 4.109 122.399 118.700 -0.685 0.000 2.693 282 N HA -0.232 4.508 4.740 -0.000 0.000 0.250 282 N C 1.039 176.415 175.510 -0.222 0.000 1.033 282 N CA 1.610 54.358 53.050 -0.503 0.000 0.747 282 N CB -1.039 37.060 38.487 -0.647 0.000 0.964 282 N HN 1.256 nan 8.380 nan 0.000 0.540 283 G N -1.566 107.146 108.800 -0.147 0.000 2.258 283 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.233 283 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.233 283 G C -0.047 174.824 174.900 -0.048 0.000 1.006 283 G CA 0.612 45.664 45.100 -0.079 0.000 0.620 283 G HN 0.809 nan 8.290 nan 0.000 0.511 284 Q N 1.055 120.842 119.800 -0.022 0.000 2.193 284 Q HA 0.683 5.023 4.340 -0.000 0.000 0.246 284 Q C -2.819 173.185 176.000 0.007 0.000 0.959 284 Q CA -2.067 53.741 55.803 0.008 0.000 0.904 284 Q CB 1.686 30.449 28.738 0.041 0.000 1.238 284 Q HN 0.156 nan 8.270 nan 0.000 0.469 285 P HA 0.040 nan 4.420 nan 0.000 0.263 285 P C -1.340 175.957 177.300 -0.006 0.000 1.175 285 P CA 0.702 63.793 63.100 -0.014 0.000 0.761 285 P CB 0.609 32.305 31.700 -0.006 0.000 0.794 286 A N 1.936 124.735 122.820 -0.035 0.000 2.557 286 A HA 0.792 5.112 4.320 -0.000 0.000 0.292 286 A C -0.909 176.676 177.584 0.002 0.000 1.139 286 A CA -0.308 51.726 52.037 -0.006 0.000 0.665 286 A CB 1.430 20.451 19.000 0.035 0.000 1.285 286 A HN 0.411 nan 8.150 nan 0.000 0.433 287 S N -2.225 113.528 115.700 0.089 0.000 2.671 287 S HA 0.902 5.372 4.470 -0.000 0.000 0.277 287 S C -0.362 174.397 174.600 0.265 0.000 1.165 287 S CA 0.284 58.566 58.200 0.136 0.000 0.822 287 S CB 1.709 64.919 63.200 0.016 0.000 1.150 287 S HN 2.511 nan 8.310 nan 0.000 0.479 288 G N 0.319 109.254 108.800 0.225 0.000 2.495 288 G HA2 0.547 4.507 3.960 -0.000 0.000 0.294 288 G HA3 0.547 4.507 3.960 -0.000 0.000 0.294 288 G C -2.655 172.172 174.900 -0.121 0.000 1.397 288 G CA -0.489 44.645 45.100 0.057 0.000 0.790 288 G HN 0.644 nan 8.290 nan 0.000 0.486 289 L N 0.891 121.954 121.223 -0.266 0.000 2.406 289 L HA 0.700 5.040 4.340 -0.000 0.000 0.272 289 L C 0.616 177.228 176.870 -0.430 0.000 0.980 289 L CA -0.612 54.004 54.840 -0.374 0.000 0.831 289 L CB 1.568 43.493 42.059 -0.223 0.000 1.253 289 L HN 0.888 nan 8.230 nan 0.000 0.406 290 G N 5.467 113.859 108.800 -0.680 0.000 2.457 290 G HA2 0.518 4.477 3.960 -0.000 0.000 0.316 290 G HA3 0.518 4.477 3.960 -0.000 0.000 0.316 290 G C -0.237 174.630 174.900 -0.054 0.000 1.030 290 G CA -0.254 44.466 45.100 -0.633 0.000 1.073 290 G HN 0.503 nan 8.290 nan 0.000 0.430 291 I N 2.413 123.035 120.570 0.087 0.000 2.325 291 I HA 0.238 4.408 4.170 -0.000 0.000 0.291 291 I C 0.429 176.739 176.117 0.322 0.000 1.019 291 I CA -0.402 61.008 61.300 0.182 0.000 1.302 291 I CB 1.376 39.430 38.000 0.091 0.000 1.401 291 I HN 0.197 nan 8.210 nan 0.000 0.485 292 K N 5.417 125.972 120.400 0.259 0.000 2.098 292 K HA 0.488 4.808 4.320 -0.000 0.000 0.258 292 K C -0.824 175.856 176.600 0.133 0.000 0.973 292 K CA -1.003 55.396 56.287 0.187 0.000 0.898 292 K CB 2.181 34.745 32.500 0.106 0.000 1.057 292 K HN 0.308 nan 8.250 nan 0.000 0.447 293 L N 1.977 123.272 121.223 0.119 0.000 2.292 293 L HA 0.292 4.632 4.340 -0.000 0.000 0.284 293 L C -0.395 176.521 176.870 0.076 0.000 1.065 293 L CA 0.136 55.034 54.840 0.097 0.000 0.806 293 L CB 1.023 43.143 42.059 0.103 0.000 1.175 293 L HN 0.759 nan 8.230 nan 0.000 0.431 294 A N 3.438 126.295 122.820 0.062 0.000 2.498 294 A HA 0.326 4.645 4.320 -0.000 0.000 0.239 294 A C 0.436 178.049 177.584 0.047 0.000 1.068 294 A CA -0.087 51.979 52.037 0.049 0.000 0.766 294 A CB -0.485 18.537 19.000 0.038 0.000 1.003 294 A HN 0.809 nan 8.150 nan 0.000 0.497 295 T N 1.750 116.329 114.554 0.041 0.000 2.905 295 T HA 0.367 4.717 4.350 -0.000 0.000 0.299 295 T C 1.630 176.350 174.700 0.032 0.000 1.024 295 T CA 1.494 63.617 62.100 0.039 0.000 1.151 295 T CB 0.258 69.142 68.868 0.027 0.000 0.987 295 T HN 2.060 nan 8.240 nan 0.000 0.535 296 G N 1.948 110.771 108.800 0.038 0.000 2.245 296 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.264 296 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.264 296 G C 0.393 175.312 174.900 0.032 0.000 0.985 296 G CA 0.179 45.298 45.100 0.030 0.000 0.625 296 G HN 1.234 nan 8.290 nan 0.000 0.536 297 A N -0.085 122.757 122.820 0.037 0.000 2.366 297 A HA 0.536 4.855 4.320 -0.000 0.000 0.249 297 A C 0.619 178.229 177.584 0.043 0.000 1.084 297 A CA 0.362 52.421 52.037 0.037 0.000 0.794 297 A CB 0.259 19.283 19.000 0.040 0.000 1.034 297 A HN 0.572 nan 8.150 nan 0.000 0.491 298 N N 1.170 119.892 118.700 0.037 0.000 2.437 298 N HA 0.294 5.034 4.740 -0.000 0.000 0.243 298 N C 1.089 176.623 175.510 0.041 0.000 1.041 298 N CA 0.390 53.463 53.050 0.038 0.000 0.940 298 N CB 1.294 39.797 38.487 0.028 0.000 1.133 298 N HN 0.623 nan 8.380 nan 0.000 0.506 299 A N 5.292 128.143 122.820 0.052 0.000 1.896 299 A HA -0.207 4.112 4.320 -0.000 0.000 0.220 299 A C 2.170 179.779 177.584 0.043 0.000 1.206 299 A CA 1.332 53.403 52.037 0.057 0.000 0.647 299 A CB -0.636 18.405 19.000 0.068 0.000 0.828 299 A HN 0.769 nan 8.150 nan 0.000 0.455 300 L N -0.789 120.451 121.223 0.029 0.000 1.970 300 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 300 L C 2.375 179.254 176.870 0.014 0.000 1.071 300 L CA 1.789 56.638 54.840 0.015 0.000 0.751 300 L CB -0.911 41.149 42.059 0.002 0.000 0.889 300 L HN 0.346 nan 8.230 nan 0.000 0.432 301 D N -0.587 119.822 120.400 0.015 0.000 2.133 301 D HA -0.175 4.465 4.640 -0.000 0.000 0.195 301 D C 2.133 178.444 176.300 0.019 0.000 0.997 301 D CA 1.777 55.785 54.000 0.013 0.000 0.840 301 D CB -0.422 40.386 40.800 0.014 0.000 0.947 301 D HN 0.285 nan 8.370 nan 0.000 0.452 302 T N 0.579 115.150 114.554 0.028 0.000 2.674 302 T HA -0.119 4.231 4.350 -0.000 0.000 0.265 302 T C 2.045 176.767 174.700 0.036 0.000 1.039 302 T CA 1.691 63.812 62.100 0.035 0.000 1.150 302 T CB -0.436 68.460 68.868 0.047 0.000 0.864 302 T HN 0.226 nan 8.240 nan 0.000 0.427 303 A N 1.542 124.385 122.820 0.037 0.000 1.917 303 A HA 0.032 4.352 4.320 -0.000 0.000 0.219 303 A C 2.640 180.235 177.584 0.019 0.000 1.182 303 A CA 2.080 54.137 52.037 0.034 0.000 0.633 303 A CB -1.176 17.841 19.000 0.028 0.000 0.819 303 A HN 0.525 nan 8.150 nan 0.000 0.448 304 A N -0.259 122.567 122.820 0.010 0.000 1.902 304 A HA 0.143 4.462 4.320 -0.000 0.000 0.217 304 A C 2.520 180.110 177.584 0.010 0.000 1.181 304 A CA 2.203 54.241 52.037 0.001 0.000 0.623 304 A CB -1.039 17.959 19.000 -0.003 0.000 0.818 304 A HN 1.118 nan 8.150 nan 0.000 0.443 305 A N -0.175 122.655 122.820 0.017 0.000 1.933 305 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 305 A C 2.107 179.709 177.584 0.030 0.000 1.175 305 A CA 1.444 53.494 52.037 0.021 0.000 0.628 305 A CB -0.590 18.423 19.000 0.021 0.000 0.814 305 A HN 0.502 nan 8.150 nan 0.000 0.444 306 I N -0.952 119.641 120.570 0.038 0.000 2.286 306 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 306 I C 2.778 178.934 176.117 0.065 0.000 1.115 306 I CA 1.376 62.707 61.300 0.052 0.000 1.392 306 I CB -0.302 37.735 38.000 0.062 0.000 1.065 306 I HN 0.311 nan 8.210 nan 0.000 0.418 307 R N 0.561 121.093 120.500 0.054 0.000 2.090 307 R HA -0.060 4.280 4.340 -0.000 0.000 0.228 307 R C 2.482 178.810 176.300 0.047 0.000 1.110 307 R CA 1.263 57.399 56.100 0.060 0.000 0.973 307 R CB -0.391 29.916 30.300 0.011 0.000 0.869 307 R HN 0.333 nan 8.270 nan 0.000 0.440 308 A N 1.171 124.008 122.820 0.029 0.000 1.908 308 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 308 A C 2.024 179.628 177.584 0.033 0.000 1.181 308 A CA 1.754 53.804 52.037 0.023 0.000 0.627 308 A CB -0.341 18.668 19.000 0.015 0.000 0.818 308 A HN 0.243 nan 8.150 nan 0.000 0.445 309 E N -0.769 119.455 120.200 0.041 0.000 2.208 309 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 309 E C 1.648 178.290 176.600 0.069 0.000 0.988 309 E CA 0.605 57.034 56.400 0.048 0.000 0.828 309 E CB -0.210 29.516 29.700 0.042 0.000 0.763 309 E HN 0.355 nan 8.360 nan 0.000 0.478 310 L N 0.144 121.418 121.223 0.084 0.000 2.044 310 L HA 0.121 4.461 4.340 -0.000 0.000 0.205 310 L C 2.239 179.149 176.870 0.065 0.000 1.075 310 L CA 1.803 56.716 54.840 0.122 0.000 0.747 310 L CB -1.298 40.856 42.059 0.159 0.000 0.903 310 L HN 0.227 nan 8.230 nan 0.000 0.435 311 A N -0.956 121.886 122.820 0.036 0.000 1.978 311 A HA -0.266 4.054 4.320 -0.000 0.000 0.220 311 A C 2.388 179.945 177.584 -0.045 0.000 1.170 311 A CA 1.861 53.885 52.037 -0.021 0.000 0.636 311 A CB -0.531 18.465 19.000 -0.008 0.000 0.810 311 A HN 0.399 nan 8.150 nan 0.000 0.448 312 K N -1.025 119.383 120.400 0.012 0.000 2.365 312 K HA 0.043 4.362 4.320 -0.000 0.000 0.199 312 K C 1.662 178.336 176.600 0.124 0.000 1.045 312 K CA 0.979 57.302 56.287 0.059 0.000 0.962 312 K CB -0.158 32.384 32.500 0.069 0.000 0.759 312 K HN 0.582 nan 8.250 nan 0.000 0.469 313 M N -0.428 119.207 119.600 0.057 0.000 2.466 313 M HA 0.001 4.481 4.480 -0.000 0.000 0.265 313 M C 1.484 177.562 176.300 -0.371 0.000 1.122 313 M CA 0.757 56.129 55.300 0.119 0.000 1.157 313 M CB 0.055 32.830 32.600 0.291 0.000 1.352 313 M HN 0.066 nan 8.290 nan 0.000 0.464 314 E N 1.104 120.767 120.200 -0.896 0.000 2.070 314 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 314 E C -0.794 175.262 176.600 -0.907 0.000 1.004 314 E CA 1.351 56.799 56.400 -1.587 0.000 0.805 314 E CB -1.422 27.824 29.700 -0.757 0.000 0.744 314 E HN 0.366 nan 8.360 nan 0.000 0.451 315 P HA -0.160 nan 4.420 nan 0.000 0.222 315 P C 0.362 177.172 177.300 -0.817 0.000 1.142 315 P CA 1.228 63.897 63.100 -0.719 0.000 0.788 315 P CB -0.072 31.087 31.700 -0.901 0.000 0.767 316 F N -3.713 116.179 119.950 -0.097 0.000 2.661 316 F HA 0.263 4.790 4.527 -0.000 0.000 0.306 316 F C 0.957 176.907 175.800 0.250 0.000 1.094 316 F CA -0.674 57.374 58.000 0.079 0.000 1.254 316 F CB -0.444 38.626 39.000 0.118 0.000 1.040 316 F HN -0.214 nan 8.300 nan 0.000 0.562 317 F N 3.904 123.919 119.950 0.108 0.000 2.506 317 F HA 0.156 4.683 4.527 -0.000 0.000 0.351 317 F C -1.284 174.436 175.800 -0.132 0.000 1.136 317 F CA -2.249 55.713 58.000 -0.062 0.000 1.298 317 F CB 0.223 39.161 39.000 -0.103 0.000 1.145 317 F HN -0.150 nan 8.300 nan 0.000 0.593 318 P HA 0.039 nan 4.420 nan 0.000 0.274 318 P C -0.833 176.439 177.300 -0.046 0.000 1.256 318 P CA -0.424 62.633 63.100 -0.071 0.000 0.795 318 P CB 0.566 32.169 31.700 -0.162 0.000 1.038 319 S N -0.658 115.028 115.700 -0.023 0.000 2.563 319 S HA 0.311 4.781 4.470 -0.000 0.000 0.284 319 S C 1.548 176.129 174.600 -0.032 0.000 1.331 319 S CA 0.992 59.183 58.200 -0.014 0.000 1.047 319 S CB -0.474 62.722 63.200 -0.006 0.000 0.859 319 S HN 0.942 nan 8.310 nan 0.000 0.514 320 G N 0.827 109.617 108.800 -0.017 0.000 2.212 320 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.266 320 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.266 320 G C -0.050 174.821 174.900 -0.048 0.000 0.978 320 G CA 0.240 45.325 45.100 -0.025 0.000 0.632 320 G HN 0.598 nan 8.290 nan 0.000 0.537 321 L N 0.996 122.172 121.223 -0.078 0.000 2.319 321 L HA 0.717 5.057 4.340 -0.000 0.000 0.280 321 L C 0.281 177.122 176.870 -0.049 0.000 1.099 321 L CA -0.119 54.626 54.840 -0.158 0.000 0.828 321 L CB 1.062 42.892 42.059 -0.382 0.000 1.150 321 L HN 0.282 nan 8.230 nan 0.000 0.442 322 K N 5.372 125.725 120.400 -0.079 0.000 2.468 322 K HA 0.486 4.806 4.320 -0.000 0.000 0.252 322 K C -1.172 175.369 176.600 -0.099 0.000 0.932 322 K CA -0.798 55.480 56.287 -0.015 0.000 0.794 322 K CB 1.315 33.805 32.500 -0.017 0.000 1.241 322 K HN 0.438 nan 8.250 nan 0.000 0.428 323 I N 3.580 124.122 120.570 -0.046 0.000 2.519 323 I HA 0.265 4.435 4.170 -0.000 0.000 0.287 323 I C 0.065 175.921 176.117 -0.435 0.000 1.047 323 I CA -0.519 60.636 61.300 -0.242 0.000 1.381 323 I CB 1.182 39.072 38.000 -0.184 0.000 1.417 323 I HN 0.403 nan 8.210 nan 0.000 0.540 324 V N 7.060 126.555 119.914 -0.698 0.000 3.007 324 V HA 0.435 4.555 4.120 -0.000 0.000 0.311 324 V C -1.491 174.073 176.094 -0.883 0.000 1.120 324 V CA -0.491 61.387 62.300 -0.703 0.000 0.980 324 V CB 2.705 34.019 31.823 -0.848 0.000 1.033 324 V HN 0.532 nan 8.190 nan 0.000 0.429 325 Y N 5.419 125.606 120.300 -0.188 0.000 2.863 325 Y HA 0.430 4.979 4.550 -0.001 0.000 0.348 325 Y C -1.506 174.378 175.900 -0.027 0.000 1.028 325 Y CA -1.796 56.235 58.100 -0.114 0.000 1.213 325 Y CB 0.932 39.359 38.460 -0.055 0.000 1.120 325 Y HN 0.528 nan 8.280 nan 0.000 0.598 326 P HA -0.071 nan 4.420 nan 0.000 0.236 326 P C -0.589 176.839 177.300 0.214 0.000 1.177 326 P CA 0.959 64.193 63.100 0.222 0.000 0.773 326 P CB 0.667 32.539 31.700 0.287 0.000 0.878 327 Y N 0.377 120.652 120.300 -0.041 0.000 2.265 327 Y HA 0.468 5.017 4.550 -0.001 0.000 0.325 327 Y C -2.045 173.870 175.900 0.026 0.000 1.190 327 Y CA -1.164 56.931 58.100 -0.008 0.000 1.224 327 Y CB 0.858 39.281 38.460 -0.061 0.000 1.200 327 Y HN -0.273 nan 8.280 nan 0.000 0.421 328 D N 2.950 123.228 120.400 -0.204 0.000 2.763 328 D HA 0.195 4.835 4.640 -0.000 0.000 0.235 328 D C 0.463 176.698 176.300 -0.108 0.000 1.334 328 D CA 0.092 54.034 54.000 -0.097 0.000 0.950 328 D CB 1.673 42.483 40.800 0.017 0.000 1.433 328 D HN 0.498 nan 8.370 nan 0.000 0.580 329 T N -0.152 114.359 114.554 -0.072 0.000 3.118 329 T HA -0.040 4.310 4.350 -0.000 0.000 0.260 329 T C 1.578 176.372 174.700 0.157 0.000 1.139 329 T CA 0.953 63.080 62.100 0.045 0.000 1.085 329 T CB -0.139 68.777 68.868 0.080 0.000 0.934 329 T HN 0.296 nan 8.240 nan 0.000 0.518 330 T N 3.027 117.643 114.554 0.103 0.000 2.684 330 T HA -0.027 4.323 4.350 -0.000 0.000 0.267 330 T C -0.539 174.227 174.700 0.109 0.000 1.036 330 T CA 1.491 63.646 62.100 0.090 0.000 1.148 330 T CB -1.242 67.656 68.868 0.049 0.000 0.863 330 T HN 0.392 nan 8.240 nan 0.000 0.436 331 P HA -0.105 nan 4.420 nan 0.000 0.216 331 P C 1.225 178.667 177.300 0.238 0.000 1.153 331 P CA 0.864 64.085 63.100 0.202 0.000 0.858 331 P CB -0.145 31.727 31.700 0.287 0.000 0.789 332 F N -0.060 120.028 119.950 0.231 0.000 2.171 332 F HA -0.165 4.362 4.527 -0.000 0.000 0.300 332 F C 1.902 177.676 175.800 -0.042 0.000 1.090 332 F CA 1.167 59.238 58.000 0.120 0.000 1.293 332 F CB -0.845 38.315 39.000 0.267 0.000 1.013 332 F HN -0.295 nan 8.300 nan 0.000 0.486 333 V N 0.517 120.399 119.914 -0.052 0.000 2.261 333 V HA -0.327 3.793 4.120 -0.000 0.000 0.246 333 V C 2.462 178.411 176.094 -0.242 0.000 1.047 333 V CA 2.357 64.549 62.300 -0.181 0.000 1.015 333 V CB -0.773 31.030 31.823 -0.034 0.000 0.642 333 V HN 0.227 nan 8.190 nan 0.000 0.446 334 K N 0.040 120.350 120.400 -0.150 0.000 1.991 334 K HA -0.183 4.137 4.320 -0.000 0.000 0.212 334 K C 1.929 178.406 176.600 -0.205 0.000 1.049 334 K CA 1.867 58.070 56.287 -0.139 0.000 0.932 334 K CB -0.644 31.804 32.500 -0.086 0.000 0.717 334 K HN 0.326 nan 8.250 nan 0.000 0.441 335 I N 0.472 120.867 120.570 -0.292 0.000 2.423 335 I HA -0.234 3.936 4.170 -0.000 0.000 0.254 335 I C 2.024 177.894 176.117 -0.410 0.000 1.151 335 I CA 1.384 62.457 61.300 -0.378 0.000 1.421 335 I CB -0.542 37.055 38.000 -0.672 0.000 1.079 335 I HN 0.236 nan 8.210 nan 0.000 0.431 336 S N -0.132 115.227 115.700 -0.568 0.000 2.371 336 S HA -0.067 4.402 4.470 -0.000 0.000 0.224 336 S C 1.981 176.402 174.600 -0.297 0.000 1.029 336 S CA 1.202 59.078 58.200 -0.541 0.000 0.978 336 S CB -0.324 62.387 63.200 -0.814 0.000 0.833 336 S HN 0.392 nan 8.310 nan 0.000 0.466 337 I N 1.283 121.710 120.570 -0.238 0.000 2.315 337 I HA -0.060 4.110 4.170 -0.000 0.000 0.248 337 I C 2.204 178.267 176.117 -0.089 0.000 1.117 337 I CA 1.431 62.640 61.300 -0.151 0.000 1.404 337 I CB -0.754 37.179 38.000 -0.113 0.000 1.071 337 I HN 0.459 nan 8.210 nan 0.000 0.419 338 H N 0.876 119.848 119.070 -0.163 0.000 2.353 338 H HA -0.127 4.429 4.556 -0.000 0.000 0.300 338 H C 2.028 177.290 175.328 -0.111 0.000 1.090 338 H CA 1.743 57.716 56.048 -0.126 0.000 1.327 338 H CB 0.132 29.813 29.762 -0.135 0.000 1.383 338 H HN 0.197 nan 8.280 nan 0.000 0.508 339 E N -0.020 120.072 120.200 -0.179 0.000 2.106 339 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 339 E C 2.536 179.052 176.600 -0.140 0.000 0.984 339 E CA 1.086 57.370 56.400 -0.193 0.000 0.806 339 E CB -0.240 29.379 29.700 -0.135 0.000 0.750 339 E HN 0.408 nan 8.360 nan 0.000 0.458 340 V N 0.893 120.749 119.914 -0.097 0.000 2.453 340 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 340 V C 2.544 178.608 176.094 -0.050 0.000 1.048 340 V CA 1.010 63.298 62.300 -0.020 0.000 1.049 340 V CB -0.444 31.357 31.823 -0.036 0.000 0.672 340 V HN 0.047 nan 8.190 nan 0.000 0.457 341 V N -0.124 119.729 119.914 -0.101 0.000 2.407 341 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 341 V C 2.535 178.554 176.094 -0.125 0.000 1.055 341 V CA 1.968 64.213 62.300 -0.091 0.000 1.049 341 V CB -0.676 31.087 31.823 -0.099 0.000 0.662 341 V HN 0.438 nan 8.190 nan 0.000 0.455 342 K N 0.604 120.873 120.400 -0.219 0.000 2.032 342 K HA -0.152 4.167 4.320 -0.000 0.000 0.209 342 K C 2.223 178.760 176.600 -0.105 0.000 1.048 342 K CA 2.158 58.324 56.287 -0.201 0.000 0.927 342 K CB -1.073 31.260 32.500 -0.278 0.000 0.712 342 K HN 0.480 nan 8.250 nan 0.000 0.441 343 T N 1.636 116.142 114.554 -0.079 0.000 2.720 343 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 343 T C 1.661 176.343 174.700 -0.029 0.000 1.037 343 T CA 1.269 63.344 62.100 -0.042 0.000 1.144 343 T CB -0.225 68.635 68.868 -0.013 0.000 0.864 343 T HN 0.159 nan 8.240 nan 0.000 0.444 344 L N 0.915 122.127 121.223 -0.019 0.000 1.970 344 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 344 L C 2.536 179.400 176.870 -0.011 0.000 1.071 344 L CA 1.621 56.459 54.840 -0.003 0.000 0.751 344 L CB -0.521 41.546 42.059 0.014 0.000 0.889 344 L HN 0.141 nan 8.230 nan 0.000 0.432 345 V N 0.383 120.282 119.914 -0.025 0.000 2.287 345 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 345 V C 2.430 178.510 176.094 -0.024 0.000 1.053 345 V CA 2.156 64.439 62.300 -0.028 0.000 1.027 345 V CB -0.601 31.196 31.823 -0.044 0.000 0.646 345 V HN 0.527 nan 8.190 nan 0.000 0.447 346 E N 0.390 120.573 120.200 -0.029 0.000 2.077 346 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 346 E C 2.332 178.927 176.600 -0.007 0.000 0.989 346 E CA 1.333 57.721 56.400 -0.020 0.000 0.800 346 E CB -0.378 29.305 29.700 -0.028 0.000 0.746 346 E HN 0.617 nan 8.360 nan 0.000 0.452 347 A N 1.511 124.322 122.820 -0.015 0.000 1.902 347 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 347 A C 2.222 179.815 177.584 0.015 0.000 1.181 347 A CA 1.172 53.201 52.037 -0.014 0.000 0.623 347 A CB -0.630 18.352 19.000 -0.030 0.000 0.818 347 A HN 0.138 nan 8.150 nan 0.000 0.443 348 I N -0.418 120.163 120.570 0.018 0.000 2.226 348 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 348 I C 2.263 178.423 176.117 0.070 0.000 1.100 348 I CA 1.322 62.645 61.300 0.038 0.000 1.374 348 I CB -0.316 37.693 38.000 0.014 0.000 1.057 348 I HN 0.302 nan 8.210 nan 0.000 0.413 349 I N 0.365 120.962 120.570 0.045 0.000 2.315 349 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 349 I C 2.396 178.608 176.117 0.158 0.000 1.117 349 I CA 1.320 62.666 61.300 0.077 0.000 1.404 349 I CB -0.185 37.831 38.000 0.026 0.000 1.071 349 I HN 0.210 nan 8.210 nan 0.000 0.419 350 L N -0.320 120.963 121.223 0.099 0.000 2.072 350 L HA -0.146 4.193 4.340 -0.000 0.000 0.205 350 L C 2.548 179.485 176.870 0.112 0.000 1.079 350 L CA 0.809 55.704 54.840 0.092 0.000 0.752 350 L CB -0.498 41.586 42.059 0.041 0.000 0.906 350 L HN 0.028 nan 8.230 nan 0.000 0.436 351 V N -0.353 119.626 119.914 0.108 0.000 2.490 351 V HA -0.310 3.810 4.120 -0.000 0.000 0.250 351 V C 2.207 178.393 176.094 0.153 0.000 1.061 351 V CA 1.801 64.166 62.300 0.108 0.000 1.064 351 V CB -0.543 31.334 31.823 0.090 0.000 0.670 351 V HN 0.371 nan 8.190 nan 0.000 0.461 352 F N 0.200 120.179 119.950 0.047 0.000 2.146 352 F HA -0.109 4.417 4.527 -0.000 0.000 0.298 352 F C 1.989 177.851 175.800 0.103 0.000 1.096 352 F CA 1.600 59.637 58.000 0.061 0.000 1.275 352 F CB -0.140 38.882 39.000 0.037 0.000 1.008 352 F HN 0.032 nan 8.300 nan 0.000 0.480 353 L N -0.723 120.573 121.223 0.121 0.000 2.093 353 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 353 L C 2.379 179.269 176.870 0.034 0.000 1.085 353 L CA 0.856 55.731 54.840 0.059 0.000 0.755 353 L CB -0.943 41.191 42.059 0.125 0.000 0.904 353 L HN 0.024 nan 8.230 nan 0.000 0.435 354 V N -0.099 119.849 119.914 0.056 0.000 2.295 354 V HA -0.319 3.801 4.120 -0.000 0.000 0.246 354 V C 2.539 178.706 176.094 0.121 0.000 1.049 354 V CA 1.879 64.230 62.300 0.086 0.000 1.024 354 V CB -0.378 31.516 31.823 0.118 0.000 0.648 354 V HN 0.376 nan 8.190 nan 0.000 0.447 355 M N -1.394 118.240 119.600 0.056 0.000 2.067 355 M HA -0.214 4.266 4.480 -0.000 0.000 0.260 355 M C 2.317 178.611 176.300 -0.010 0.000 1.069 355 M CA 2.284 57.605 55.300 0.034 0.000 1.117 355 M CB -0.648 31.937 32.600 -0.024 0.000 1.334 355 M HN 0.431 nan 8.290 nan 0.000 0.407 356 Y N 1.362 121.498 120.300 -0.274 0.000 2.207 356 Y HA -0.279 4.271 4.550 -0.000 0.000 0.287 356 Y C 2.124 177.861 175.900 -0.272 0.000 1.156 356 Y CA 1.588 59.514 58.100 -0.291 0.000 1.182 356 Y CB -0.490 37.738 38.460 -0.386 0.000 0.979 356 Y HN 0.134 nan 8.280 nan 0.000 0.521 357 L N -0.625 120.425 121.223 -0.289 0.000 2.013 357 L HA -0.237 4.102 4.340 -0.000 0.000 0.212 357 L C 1.921 178.305 176.870 -0.809 0.000 1.073 357 L CA 2.032 56.505 54.840 -0.612 0.000 0.753 357 L CB -1.134 40.554 42.059 -0.619 0.000 0.890 357 L HN 0.191 nan 8.230 nan 0.000 0.432 358 F N -1.076 118.643 119.950 -0.385 0.000 2.147 358 F HA -0.031 4.496 4.527 -0.000 0.000 0.291 358 F C 2.209 177.841 175.800 -0.280 0.000 1.093 358 F CA 1.319 59.166 58.000 -0.255 0.000 1.263 358 F CB -0.532 38.359 39.000 -0.181 0.000 1.036 358 F HN -0.048 nan 8.300 nan 0.000 0.481 359 L N -0.739 120.439 121.223 -0.075 0.000 2.027 359 L HA -0.201 4.139 4.340 -0.000 0.000 0.206 359 L C 1.075 177.788 176.870 -0.263 0.000 1.074 359 L CA 1.343 56.118 54.840 -0.108 0.000 0.745 359 L CB -0.825 41.206 42.059 -0.048 0.000 0.898 359 L HN 0.250 nan 8.230 nan 0.000 0.433 360 Q N -1.024 118.449 119.800 -0.545 0.000 2.416 360 Q HA -0.249 4.091 4.340 -0.000 0.000 0.235 360 Q C -0.189 175.689 176.000 -0.205 0.000 0.773 360 Q CA 0.851 56.144 55.803 -0.849 0.000 1.286 360 Q CB -1.756 26.359 28.738 -1.038 0.000 1.556 360 Q HN 0.605 nan 8.270 nan 0.000 0.650 361 N N -1.034 117.686 118.700 0.032 0.000 2.225 361 N HA 0.383 5.123 4.740 -0.000 0.000 0.298 361 N C -0.306 175.429 175.510 0.376 0.000 1.076 361 N CA -0.679 52.513 53.050 0.236 0.000 0.792 361 N CB 1.020 39.589 38.487 0.137 0.000 1.498 361 N HN -0.022 nan 8.380 nan 0.000 0.474 362 F N 2.909 123.017 119.950 0.263 0.000 2.039 362 F HA 0.132 4.658 4.527 -0.000 0.000 0.294 362 F C 1.964 177.866 175.800 0.171 0.000 1.130 362 F CA 1.570 59.702 58.000 0.219 0.000 1.189 362 F CB -0.101 39.003 39.000 0.173 0.000 0.983 362 F HN 0.572 nan 8.300 nan 0.000 0.471 363 R N 0.255 120.806 120.500 0.086 0.000 2.113 363 R HA -0.239 4.101 4.340 -0.000 0.000 0.244 363 R C 2.355 178.619 176.300 -0.060 0.000 1.142 363 R CA 1.589 57.664 56.100 -0.042 0.000 0.953 363 R CB -1.121 29.229 30.300 0.083 0.000 0.860 363 R HN 0.442 nan 8.270 nan 0.000 0.438 364 A N 0.129 122.954 122.820 0.009 0.000 1.832 364 A HA -0.191 4.129 4.320 -0.000 0.000 0.214 364 A C 2.268 179.842 177.584 -0.016 0.000 1.200 364 A CA 2.052 54.091 52.037 0.004 0.000 0.610 364 A CB -1.208 17.806 19.000 0.023 0.000 0.842 364 A HN 0.368 nan 8.150 nan 0.000 0.444 365 T N -0.699 113.857 114.554 0.003 0.000 2.778 365 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 365 T C 1.775 176.470 174.700 -0.007 0.000 1.050 365 T CA 1.788 63.882 62.100 -0.011 0.000 1.137 365 T CB -0.499 68.378 68.868 0.015 0.000 0.860 365 T HN 0.289 nan 8.240 nan 0.000 0.468 366 L N 0.605 121.778 121.223 -0.082 0.000 2.017 366 L HA 0.054 4.394 4.340 -0.000 0.000 0.208 366 L C 2.288 179.148 176.870 -0.017 0.000 1.073 366 L CA 1.604 56.394 54.840 -0.084 0.000 0.745 366 L CB -0.548 41.297 42.059 -0.357 0.000 0.894 366 L HN 0.367 nan 8.230 nan 0.000 0.432 367 I N -0.193 120.356 120.570 -0.035 0.000 2.091 367 I HA -0.324 3.845 4.170 -0.000 0.000 0.240 367 I C -0.302 175.804 176.117 -0.019 0.000 1.046 367 I CA 1.975 63.258 61.300 -0.028 0.000 1.306 367 I CB -1.692 36.287 38.000 -0.035 0.000 1.018 367 I HN 0.293 nan 8.210 nan 0.000 0.404 368 P HA -0.093 nan 4.420 nan 0.000 0.219 368 P C 1.624 178.945 177.300 0.034 0.000 1.150 368 P CA 1.394 64.496 63.100 0.002 0.000 0.814 368 P CB -0.092 31.611 31.700 0.004 0.000 0.787 369 T N -0.348 114.253 114.554 0.077 0.000 2.759 369 T HA -0.118 4.231 4.350 -0.000 0.000 0.269 369 T C 1.661 176.405 174.700 0.073 0.000 1.042 369 T CA 1.006 63.182 62.100 0.126 0.000 1.140 369 T CB -0.893 68.122 68.868 0.245 0.000 0.864 369 T HN 0.103 nan 8.240 nan 0.000 0.455 370 I N 1.124 121.724 120.570 0.050 0.000 2.567 370 I HA -0.149 4.021 4.170 -0.000 0.000 0.257 370 I C 2.643 178.773 176.117 0.023 0.000 1.184 370 I CA 0.607 61.936 61.300 0.049 0.000 1.451 370 I CB -0.303 37.725 38.000 0.046 0.000 1.089 370 I HN 0.196 nan 8.210 nan 0.000 0.441 371 A N 0.227 123.049 122.820 0.003 0.000 2.067 371 A HA -0.138 4.181 4.320 -0.000 0.000 0.219 371 A C 2.435 180.025 177.584 0.010 0.000 1.158 371 A CA 1.528 53.558 52.037 -0.011 0.000 0.661 371 A CB -0.707 18.280 19.000 -0.022 0.000 0.801 371 A HN 0.373 nan 8.150 nan 0.000 0.452 372 V N -1.163 118.768 119.914 0.029 0.000 2.453 372 V HA -0.007 4.113 4.120 -0.000 0.000 0.247 372 V C -0.590 175.531 176.094 0.046 0.000 1.048 372 V CA 1.871 64.192 62.300 0.035 0.000 1.049 372 V CB -1.104 30.744 31.823 0.043 0.000 0.672 372 V HN 0.350 nan 8.190 nan 0.000 0.457 373 P HA 0.013 nan 4.420 nan 0.000 0.222 373 P C 1.955 179.296 177.300 0.070 0.000 1.153 373 P CA 1.276 64.413 63.100 0.063 0.000 0.798 373 P CB 0.046 31.784 31.700 0.063 0.000 0.796 374 V N -0.759 119.187 119.914 0.053 0.000 2.302 374 V HA -0.135 3.984 4.120 -0.000 0.000 0.243 374 V C 2.383 178.499 176.094 0.036 0.000 1.036 374 V CA 1.483 63.809 62.300 0.045 0.000 1.020 374 V CB -1.150 30.680 31.823 0.012 0.000 0.657 374 V HN -0.078 nan 8.190 nan 0.000 0.453 375 V N 0.003 119.927 119.914 0.017 0.000 2.343 375 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 375 V C 2.294 178.391 176.094 0.005 0.000 1.051 375 V CA 1.847 64.146 62.300 -0.001 0.000 1.036 375 V CB -0.506 31.306 31.823 -0.018 0.000 0.654 375 V HN 0.408 nan 8.190 nan 0.000 0.451 376 L N -0.864 120.382 121.223 0.038 0.000 2.023 376 L HA -0.127 4.212 4.340 -0.000 0.000 0.205 376 L C 2.417 179.412 176.870 0.209 0.000 1.073 376 L CA 1.496 56.374 54.840 0.063 0.000 0.745 376 L CB -0.536 41.600 42.059 0.128 0.000 0.900 376 L HN 0.274 nan 8.230 nan 0.000 0.435 377 L N -0.365 121.010 121.223 0.253 0.000 2.079 377 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 377 L C 2.679 179.682 176.870 0.221 0.000 1.081 377 L CA 1.363 56.383 54.840 0.300 0.000 0.752 377 L CB -1.260 40.886 42.059 0.146 0.000 0.896 377 L HN 0.345 nan 8.230 nan 0.000 0.433 378 G N -0.605 108.268 108.800 0.121 0.000 2.440 378 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 378 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 378 G C 1.583 176.521 174.900 0.063 0.000 1.154 378 G CA 1.330 46.479 45.100 0.080 0.000 0.767 378 G HN 0.288 nan 8.290 nan 0.000 0.552 379 T N 0.851 115.407 114.554 0.003 0.000 2.788 379 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 379 T C 2.026 176.668 174.700 -0.096 0.000 1.044 379 T CA 0.877 62.916 62.100 -0.102 0.000 1.139 379 T CB -0.313 68.414 68.868 -0.235 0.000 0.867 379 T HN 0.274 nan 8.240 nan 0.000 0.454 380 F N 1.524 121.478 119.950 0.006 0.000 2.171 380 F HA 0.001 4.527 4.527 -0.000 0.000 0.300 380 F C 2.620 178.447 175.800 0.045 0.000 1.090 380 F CA 0.747 58.758 58.000 0.020 0.000 1.293 380 F CB -0.466 38.541 39.000 0.012 0.000 1.013 380 F HN 0.125 nan 8.300 nan 0.000 0.486 381 A N -0.197 122.756 122.820 0.222 0.000 1.902 381 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 381 A C 2.304 179.981 177.584 0.154 0.000 1.181 381 A CA 1.867 53.997 52.037 0.155 0.000 0.623 381 A CB -1.179 17.891 19.000 0.117 0.000 0.818 381 A HN 0.170 nan 8.150 nan 0.000 0.443 382 V N -0.321 119.682 119.914 0.149 0.000 2.427 382 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 382 V C 2.482 178.768 176.094 0.319 0.000 1.051 382 V CA 1.622 64.059 62.300 0.229 0.000 1.048 382 V CB -0.716 31.179 31.823 0.120 0.000 0.666 382 V HN 0.458 nan 8.190 nan 0.000 0.456 383 L N 0.494 121.830 121.223 0.188 0.000 1.994 383 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 383 L C 2.644 179.712 176.870 0.329 0.000 1.071 383 L CA 2.356 57.339 54.840 0.239 0.000 0.745 383 L CB -1.496 40.645 42.059 0.138 0.000 0.892 383 L HN 0.296 nan 8.230 nan 0.000 0.431 384 A N -0.728 122.231 122.820 0.231 0.000 1.883 384 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 384 A C 2.477 180.132 177.584 0.118 0.000 1.186 384 A CA 2.131 54.264 52.037 0.161 0.000 0.624 384 A CB -1.093 17.977 19.000 0.117 0.000 0.822 384 A HN 0.431 nan 8.150 nan 0.000 0.444 385 A N -1.454 121.421 122.820 0.091 0.000 1.948 385 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 385 A C 1.611 179.027 177.584 -0.280 0.000 1.177 385 A CA 1.696 53.663 52.037 -0.116 0.000 0.636 385 A CB -0.690 18.197 19.000 -0.188 0.000 0.815 385 A HN 0.536 nan 8.150 nan 0.000 0.449 386 F N -1.166 118.886 119.950 0.170 0.000 2.641 386 F HA 0.409 4.935 4.527 -0.000 0.000 0.302 386 F C 1.703 177.540 175.800 0.062 0.000 1.098 386 F CA 0.398 58.516 58.000 0.197 0.000 1.318 386 F CB 0.182 39.423 39.000 0.402 0.000 1.035 386 F HN 0.343 nan 8.300 nan 0.000 0.551 387 G N -0.043 108.839 108.800 0.137 0.000 2.143 387 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.249 387 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.249 387 G C 0.188 175.028 174.900 -0.100 0.000 0.981 387 G CA -0.427 44.662 45.100 -0.018 0.000 0.665 387 G HN 0.220 nan 8.290 nan 0.000 0.528 388 F N 1.841 121.855 119.950 0.107 0.000 2.382 388 F HA 0.574 5.101 4.527 -0.000 0.000 0.331 388 F C 1.261 177.099 175.800 0.064 0.000 1.121 388 F CA 0.334 58.378 58.000 0.074 0.000 1.183 388 F CB 1.377 40.411 39.000 0.058 0.000 1.207 388 F HN 0.275 nan 8.300 nan 0.000 0.555 389 S N 1.476 117.306 115.700 0.217 0.000 2.704 389 S HA 0.653 5.123 4.470 -0.000 0.000 0.305 389 S C -0.602 174.082 174.600 0.140 0.000 1.107 389 S CA -0.952 57.335 58.200 0.145 0.000 0.993 389 S CB 1.285 64.538 63.200 0.088 0.000 1.110 389 S HN 0.459 nan 8.310 nan 0.000 0.534 390 I N 3.294 123.936 120.570 0.121 0.000 2.329 390 I HA 0.228 4.398 4.170 -0.000 0.000 0.295 390 I C 0.017 176.156 176.117 0.037 0.000 1.109 390 I CA -0.243 61.125 61.300 0.113 0.000 1.297 390 I CB -0.869 37.221 38.000 0.149 0.000 1.433 390 I HN 0.765 nan 8.210 nan 0.000 0.509 391 N N 2.155 120.852 118.700 -0.005 0.000 3.091 391 N HA 0.357 5.097 4.740 -0.000 0.000 0.329 391 N C 0.496 175.905 175.510 -0.170 0.000 1.430 391 N CA -0.798 52.221 53.050 -0.051 0.000 0.755 391 N CB 0.444 38.942 38.487 0.018 0.000 1.626 391 N HN 0.059 nan 8.380 nan 0.000 0.614 392 T N -0.084 114.338 114.554 -0.220 0.000 2.674 392 T HA -0.010 4.340 4.350 -0.000 0.000 0.265 392 T C 1.524 175.765 174.700 -0.765 0.000 1.039 392 T CA 1.403 63.191 62.100 -0.520 0.000 1.150 392 T CB -0.561 68.082 68.868 -0.376 0.000 0.864 392 T HN 0.363 nan 8.240 nan 0.000 0.427 393 L N 0.291 121.321 121.223 -0.322 0.000 2.046 393 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 393 L C 2.932 179.477 176.870 -0.540 0.000 1.077 393 L CA 1.266 55.910 54.840 -0.327 0.000 0.747 393 L CB -1.022 40.985 42.059 -0.086 0.000 0.896 393 L HN 0.289 nan 8.230 nan 0.000 0.432 394 T N -0.696 113.659 114.554 -0.331 0.000 2.867 394 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 394 T C 1.948 176.485 174.700 -0.272 0.000 1.057 394 T CA 1.069 62.993 62.100 -0.293 0.000 1.136 394 T CB 0.044 68.826 68.868 -0.143 0.000 0.874 394 T HN 0.100 nan 8.240 nan 0.000 0.466 395 M N -0.210 119.244 119.600 -0.243 0.000 2.236 395 M HA 0.140 4.620 4.480 -0.000 0.000 0.266 395 M C 2.003 178.297 176.300 -0.011 0.000 1.070 395 M CA 1.113 56.327 55.300 -0.143 0.000 1.137 395 M CB -1.095 31.422 32.600 -0.139 0.000 1.378 395 M HN 0.387 nan 8.290 nan 0.000 0.426 396 F N 0.239 120.130 119.950 -0.098 0.000 2.250 396 F HA -0.183 4.344 4.527 -0.000 0.000 0.301 396 F C 2.419 178.233 175.800 0.024 0.000 1.077 396 F CA 0.590 58.587 58.000 -0.006 0.000 1.348 396 F CB -0.596 38.469 39.000 0.109 0.000 1.040 396 F HN 0.275 nan 8.300 nan 0.000 0.509 397 G N 0.215 109.047 108.800 0.055 0.000 2.404 397 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.215 397 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.215 397 G C 1.582 176.475 174.900 -0.012 0.000 1.174 397 G CA 0.552 45.662 45.100 0.016 0.000 0.780 397 G HN 0.211 nan 8.290 nan 0.000 0.537 398 M N 0.170 119.729 119.600 -0.069 0.000 2.229 398 M HA -0.004 4.475 4.480 -0.000 0.000 0.264 398 M C 2.613 178.908 176.300 -0.007 0.000 1.063 398 M CA 0.661 55.916 55.300 -0.075 0.000 1.114 398 M CB -0.242 32.285 32.600 -0.123 0.000 1.387 398 M HN 0.100 nan 8.290 nan 0.000 0.420 399 V N 0.906 120.841 119.914 0.035 0.000 2.307 399 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 399 V C 2.319 178.418 176.094 0.007 0.000 1.045 399 V CA 1.499 63.815 62.300 0.027 0.000 1.024 399 V CB -0.552 31.305 31.823 0.056 0.000 0.651 399 V HN 0.451 nan 8.190 nan 0.000 0.449 400 L N 0.032 121.294 121.223 0.066 0.000 2.131 400 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 400 L C 2.620 179.586 176.870 0.160 0.000 1.092 400 L CA 1.483 56.393 54.840 0.118 0.000 0.759 400 L CB -0.645 41.550 42.059 0.227 0.000 0.903 400 L HN 0.387 nan 8.230 nan 0.000 0.435 401 A N -0.048 122.815 122.820 0.071 0.000 1.968 401 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 401 A C 2.129 179.745 177.584 0.053 0.000 1.169 401 A CA 0.752 52.813 52.037 0.039 0.000 0.638 401 A CB -0.340 18.635 19.000 -0.042 0.000 0.812 401 A HN 0.238 nan 8.150 nan 0.000 0.446 402 I N 0.332 120.923 120.570 0.034 0.000 2.143 402 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 402 I C 2.470 178.626 176.117 0.065 0.000 1.068 402 I CA 1.960 63.280 61.300 0.033 0.000 1.326 402 I CB -1.733 36.274 38.000 0.012 0.000 1.028 402 I HN 0.386 nan 8.210 nan 0.000 0.412 403 G N -0.570 108.293 108.800 0.104 0.000 2.848 403 G HA2 0.052 4.012 3.960 -0.000 0.000 0.208 403 G HA3 0.052 4.012 3.960 -0.000 0.000 0.208 403 G C 1.422 176.481 174.900 0.265 0.000 1.152 403 G CA 0.095 45.316 45.100 0.202 0.000 0.789 403 G HN 0.195 nan 8.290 nan 0.000 0.531 404 L N -0.076 121.264 121.223 0.195 0.000 2.445 404 L HA 0.272 4.612 4.340 -0.000 0.000 0.207 404 L C 2.339 179.229 176.870 0.034 0.000 1.053 404 L CA 0.584 55.481 54.840 0.096 0.000 0.841 404 L CB -0.676 41.423 42.059 0.067 0.000 1.074 404 L HN 0.288 nan 8.230 nan 0.000 0.479 405 L N -0.950 120.287 121.223 0.025 0.000 2.549 405 L HA 0.040 4.380 4.340 -0.000 0.000 0.229 405 L C 1.614 178.485 176.870 0.001 0.000 1.158 405 L CA 1.186 56.025 54.840 -0.002 0.000 0.842 405 L CB -1.303 40.749 42.059 -0.012 0.000 0.952 405 L HN 0.065 nan 8.230 nan 0.000 0.452 406 V N -5.584 114.340 119.914 0.017 0.000 3.621 406 V HA 0.223 4.343 4.120 -0.000 0.000 0.285 406 V C 1.407 177.500 176.094 -0.003 0.000 1.346 406 V CA 0.359 62.666 62.300 0.011 0.000 1.104 406 V CB -0.412 31.430 31.823 0.031 0.000 0.913 406 V HN 0.189 nan 8.190 nan 0.000 0.432 407 D N 1.557 121.954 120.400 -0.005 0.000 2.097 407 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 407 D C 1.726 178.007 176.300 -0.030 0.000 0.984 407 D CA 1.852 55.839 54.000 -0.021 0.000 0.826 407 D CB -0.169 40.619 40.800 -0.021 0.000 0.973 407 D HN 0.409 nan 8.370 nan 0.000 0.460 408 D N 0.372 120.756 120.400 -0.027 0.000 2.117 408 D HA -0.053 4.587 4.640 -0.000 0.000 0.197 408 D C 1.969 178.249 176.300 -0.033 0.000 0.987 408 D CA 1.309 55.292 54.000 -0.029 0.000 0.829 408 D CB -0.328 40.455 40.800 -0.029 0.000 0.961 408 D HN 0.136 nan 8.370 nan 0.000 0.460 409 A N 0.150 122.949 122.820 -0.036 0.000 2.015 409 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 409 A C 2.278 179.840 177.584 -0.037 0.000 1.163 409 A CA 0.709 52.722 52.037 -0.040 0.000 0.646 409 A CB -0.535 18.441 19.000 -0.040 0.000 0.806 409 A HN 0.215 nan 8.150 nan 0.000 0.448 410 I N -0.773 119.773 120.570 -0.039 0.000 2.333 410 I HA -0.155 4.015 4.170 -0.000 0.000 0.246 410 I C 2.264 178.346 176.117 -0.058 0.000 1.106 410 I CA 0.787 62.056 61.300 -0.052 0.000 1.411 410 I CB -0.200 37.760 38.000 -0.066 0.000 1.082 410 I HN 0.135 nan 8.210 nan 0.000 0.420 411 V N 0.513 120.395 119.914 -0.053 0.000 2.343 411 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 411 V C 2.439 178.514 176.094 -0.032 0.000 1.051 411 V CA 1.488 63.759 62.300 -0.048 0.000 1.036 411 V CB -0.497 31.306 31.823 -0.033 0.000 0.654 411 V HN 0.224 nan 8.190 nan 0.000 0.451 412 V N -0.304 119.594 119.914 -0.027 0.000 2.261 412 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 412 V C 2.412 178.494 176.094 -0.020 0.000 1.047 412 V CA 2.119 64.407 62.300 -0.019 0.000 1.015 412 V CB -0.470 31.337 31.823 -0.025 0.000 0.642 412 V HN 0.400 nan 8.190 nan 0.000 0.446 413 V N -0.061 119.837 119.914 -0.027 0.000 2.358 413 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 413 V C 2.596 178.677 176.094 -0.022 0.000 1.047 413 V CA 2.045 64.332 62.300 -0.022 0.000 1.035 413 V CB -0.619 31.189 31.823 -0.025 0.000 0.658 413 V HN 0.601 nan 8.190 nan 0.000 0.452 414 E N 0.551 120.729 120.200 -0.036 0.000 2.204 414 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 414 E C 1.934 178.515 176.600 -0.032 0.000 0.989 414 E CA 1.350 57.726 56.400 -0.041 0.000 0.824 414 E CB -0.155 29.499 29.700 -0.077 0.000 0.756 414 E HN 0.704 nan 8.360 nan 0.000 0.477 415 N N -0.526 118.159 118.700 -0.025 0.000 2.135 415 N HA -0.105 4.634 4.740 -0.000 0.000 0.186 415 N C 1.855 177.367 175.510 0.002 0.000 1.027 415 N CA 1.395 54.439 53.050 -0.010 0.000 0.849 415 N CB 0.127 38.619 38.487 0.009 0.000 1.002 415 N HN -0.069 nan 8.380 nan 0.000 0.425 416 V N 1.180 121.096 119.914 0.003 0.000 2.490 416 V HA -0.126 3.994 4.120 -0.000 0.000 0.250 416 V C 2.008 178.110 176.094 0.013 0.000 1.061 416 V CA 1.415 63.721 62.300 0.009 0.000 1.064 416 V CB -0.480 31.347 31.823 0.007 0.000 0.670 416 V HN 0.375 nan 8.190 nan 0.000 0.461 417 E N -0.243 119.963 120.200 0.009 0.000 2.208 417 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 417 E C 2.342 178.955 176.600 0.022 0.000 0.988 417 E CA 0.465 56.876 56.400 0.018 0.000 0.828 417 E CB -0.126 29.583 29.700 0.015 0.000 0.763 417 E HN 0.429 nan 8.360 nan 0.000 0.478 418 R N 1.136 121.640 120.500 0.006 0.000 2.052 418 R HA -0.065 4.274 4.340 -0.000 0.000 0.226 418 R C 2.347 178.650 176.300 0.004 0.000 1.145 418 R CA 0.890 56.986 56.100 -0.007 0.000 0.952 418 R CB -0.517 29.760 30.300 -0.038 0.000 0.847 418 R HN -0.008 nan 8.270 nan 0.000 0.431 419 V N 1.982 121.902 119.914 0.010 0.000 2.231 419 V HA -0.356 3.764 4.120 -0.000 0.000 0.250 419 V C 2.653 178.763 176.094 0.027 0.000 1.058 419 V CA 2.435 64.747 62.300 0.019 0.000 1.022 419 V CB -0.548 31.288 31.823 0.021 0.000 0.640 419 V HN 0.409 nan 8.190 nan 0.000 0.445 420 M N 0.080 119.697 119.600 0.029 0.000 2.088 420 M HA -0.195 4.284 4.480 -0.000 0.000 0.256 420 M C 1.650 177.978 176.300 0.046 0.000 1.071 420 M CA 2.411 57.731 55.300 0.034 0.000 1.097 420 M CB -0.309 32.311 32.600 0.033 0.000 1.315 420 M HN 0.331 nan 8.290 nan 0.000 0.406 421 A N -1.305 121.551 122.820 0.060 0.000 2.412 421 A HA 0.057 4.377 4.320 -0.000 0.000 0.253 421 A C 1.329 178.988 177.584 0.124 0.000 1.334 421 A CA 0.613 52.708 52.037 0.096 0.000 0.929 421 A CB -0.546 18.532 19.000 0.131 0.000 0.983 421 A HN 0.694 nan 8.150 nan 0.000 0.508 422 E N -1.573 118.673 120.200 0.076 0.000 2.783 422 E HA 0.017 4.367 4.350 -0.000 0.000 0.205 422 E C 1.210 177.840 176.600 0.050 0.000 0.955 422 E CA 0.219 56.660 56.400 0.068 0.000 1.594 422 E CB 0.367 30.079 29.700 0.020 0.000 1.686 422 E HN 0.368 nan 8.360 nan 0.000 0.902 423 E N -0.490 119.733 120.200 0.038 0.000 2.340 423 E HA 0.171 4.520 4.350 -0.000 0.000 0.198 423 E C 1.274 177.892 176.600 0.030 0.000 0.961 423 E CA 0.887 57.304 56.400 0.030 0.000 0.905 423 E CB 1.121 30.834 29.700 0.023 0.000 0.884 423 E HN 0.361 nan 8.360 nan 0.000 0.491 424 G N 1.341 110.161 108.800 0.034 0.000 2.199 424 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.254 424 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.254 424 G C 0.231 175.147 174.900 0.026 0.000 0.982 424 G CA 0.287 45.406 45.100 0.031 0.000 0.632 424 G HN 0.112 nan 8.290 nan 0.000 0.529 425 L N 2.895 124.132 121.223 0.024 0.000 2.516 425 L HA 0.303 4.643 4.340 -0.000 0.000 0.288 425 L C -0.785 176.098 176.870 0.022 0.000 1.246 425 L CA -1.162 53.690 54.840 0.021 0.000 0.844 425 L CB -0.410 41.660 42.059 0.018 0.000 1.106 425 L HN 0.124 nan 8.230 nan 0.000 0.509 426 P HA 0.084 nan 4.420 nan 0.000 0.270 426 P C -2.192 175.122 177.300 0.023 0.000 1.223 426 P CA -1.200 61.914 63.100 0.023 0.000 0.785 426 P CB 0.076 31.789 31.700 0.021 0.000 0.923 427 P HA -0.229 nan 4.420 nan 0.000 0.215 427 P C 1.567 178.879 177.300 0.021 0.000 1.163 427 P CA 2.088 65.202 63.100 0.025 0.000 0.894 427 P CB 0.008 31.725 31.700 0.029 0.000 0.791 428 K N 0.166 120.579 120.400 0.020 0.000 2.103 428 K HA -0.222 4.098 4.320 -0.000 0.000 0.207 428 K C 2.307 178.915 176.600 0.013 0.000 1.048 428 K CA 1.794 58.091 56.287 0.016 0.000 0.930 428 K CB -0.252 32.257 32.500 0.015 0.000 0.716 428 K HN -0.066 nan 8.250 nan 0.000 0.444 429 E N 0.602 120.810 120.200 0.014 0.000 2.031 429 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 429 E C 1.693 178.301 176.600 0.012 0.000 0.994 429 E CA 1.781 58.188 56.400 0.012 0.000 0.800 429 E CB -0.363 29.345 29.700 0.013 0.000 0.752 429 E HN 0.365 nan 8.360 nan 0.000 0.447 430 A N -0.305 122.524 122.820 0.015 0.000 1.933 430 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 430 A C 2.449 180.042 177.584 0.014 0.000 1.175 430 A CA 2.034 54.081 52.037 0.016 0.000 0.628 430 A CB -1.045 17.966 19.000 0.019 0.000 0.814 430 A HN 0.398 nan 8.150 nan 0.000 0.444 431 T N -0.393 114.169 114.554 0.013 0.000 2.701 431 T HA -0.127 4.223 4.350 -0.000 0.000 0.263 431 T C 2.060 176.767 174.700 0.012 0.000 1.040 431 T CA 1.469 63.576 62.100 0.011 0.000 1.147 431 T CB -0.245 68.629 68.868 0.011 0.000 0.865 431 T HN 0.505 nan 8.240 nan 0.000 0.426 432 R N 0.812 121.319 120.500 0.011 0.000 2.117 432 R HA -0.108 4.232 4.340 -0.000 0.000 0.243 432 R C 2.516 178.821 176.300 0.008 0.000 1.143 432 R CA 1.419 57.525 56.100 0.010 0.000 0.968 432 R CB -0.170 30.134 30.300 0.008 0.000 0.863 432 R HN 0.346 nan 8.270 nan 0.000 0.444 433 K N 0.263 120.668 120.400 0.008 0.000 1.991 433 K HA -0.073 4.246 4.320 -0.000 0.000 0.207 433 K C 2.147 178.751 176.600 0.008 0.000 1.045 433 K CA 1.711 58.002 56.287 0.006 0.000 0.937 433 K CB 0.037 32.542 32.500 0.008 0.000 0.720 433 K HN -0.017 nan 8.250 nan 0.000 0.438 434 S N 0.891 116.599 115.700 0.014 0.000 2.359 434 S HA -0.134 4.335 4.470 -0.000 0.000 0.223 434 S C 1.280 175.889 174.600 0.015 0.000 1.039 434 S CA 1.273 59.485 58.200 0.019 0.000 1.042 434 S CB -0.168 63.043 63.200 0.018 0.000 0.915 434 S HN 0.321 nan 8.310 nan 0.000 0.439 435 M N 1.513 121.120 119.600 0.011 0.000 3.224 435 M HA 0.140 4.619 4.480 -0.000 0.000 0.188 435 M C 1.298 177.602 176.300 0.007 0.000 1.319 435 M CA 0.098 55.404 55.300 0.011 0.000 1.355 435 M CB -1.482 31.128 32.600 0.017 0.000 1.588 435 M HN 0.455 nan 8.290 nan 0.000 0.426 436 G N 0.087 108.887 108.800 0.000 0.000 2.524 436 G HA2 0.034 3.994 3.960 -0.000 0.000 0.165 436 G HA3 0.034 3.994 3.960 -0.000 0.000 0.165 436 G C 0.699 175.583 174.900 -0.027 0.000 1.427 436 G CA -0.164 44.929 45.100 -0.011 0.000 0.794 436 G HN 0.566 nan 8.290 nan 0.000 1.024 437 Q N 0.328 120.114 119.800 -0.023 0.000 2.179 437 Q HA 0.452 4.792 4.340 -0.000 0.000 0.213 437 Q C 1.372 177.361 176.000 -0.018 0.000 0.833 437 Q CA 0.040 55.810 55.803 -0.055 0.000 0.990 437 Q CB -0.026 28.674 28.738 -0.063 0.000 1.132 437 Q HN 0.611 nan 8.270 nan 0.000 0.493 438 I N -5.316 115.261 120.570 0.012 0.000 4.779 438 I HA 0.185 4.355 4.170 -0.000 0.000 0.339 438 I C 1.929 178.062 176.117 0.027 0.000 1.293 438 I CA -0.368 60.956 61.300 0.040 0.000 1.324 438 I CB 0.185 38.216 38.000 0.051 0.000 1.424 438 I HN -0.019 nan 8.210 nan 0.000 0.489 439 Q N 2.341 122.150 119.800 0.014 0.000 2.217 439 Q HA -0.144 4.196 4.340 -0.000 0.000 0.209 439 Q C 2.142 178.158 176.000 0.026 0.000 0.988 439 Q CA 2.505 58.316 55.803 0.013 0.000 0.878 439 Q CB -0.211 28.531 28.738 0.007 0.000 0.909 439 Q HN 0.730 nan 8.270 nan 0.000 0.424 440 G N 0.053 108.875 108.800 0.038 0.000 2.459 440 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 440 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 440 G C 1.395 176.368 174.900 0.122 0.000 1.183 440 G CA 0.901 46.055 45.100 0.090 0.000 0.776 440 G HN 0.497 nan 8.290 nan 0.000 0.552 441 A N 0.392 123.266 122.820 0.091 0.000 1.930 441 A HA 0.143 4.463 4.320 -0.000 0.000 0.217 441 A C 2.447 180.062 177.584 0.051 0.000 1.175 441 A CA 1.172 53.261 52.037 0.087 0.000 0.627 441 A CB -0.361 18.676 19.000 0.063 0.000 0.815 441 A HN 0.358 nan 8.150 nan 0.000 0.443 442 L N -0.645 120.596 121.223 0.031 0.000 2.079 442 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 442 L C 2.426 179.296 176.870 0.001 0.000 1.081 442 L CA 1.153 55.998 54.840 0.008 0.000 0.752 442 L CB -0.530 41.529 42.059 0.000 0.000 0.896 442 L HN 0.261 nan 8.230 nan 0.000 0.433 443 V N -0.297 119.619 119.914 0.004 0.000 2.535 443 V HA -0.061 4.059 4.120 -0.000 0.000 0.246 443 V C 2.540 178.614 176.094 -0.035 0.000 1.045 443 V CA 1.630 63.918 62.300 -0.020 0.000 1.058 443 V CB -0.613 31.192 31.823 -0.030 0.000 0.689 443 V HN 0.517 nan 8.190 nan 0.000 0.461 444 G N -0.098 108.698 108.800 -0.006 0.000 2.408 444 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.217 444 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.217 444 G C 1.570 176.471 174.900 0.001 0.000 1.150 444 G CA 0.739 45.826 45.100 -0.022 0.000 0.776 444 G HN 0.469 nan 8.290 nan 0.000 0.542 445 I N 1.194 121.774 120.570 0.017 0.000 2.252 445 I HA -0.118 4.052 4.170 -0.000 0.000 0.245 445 I C 3.245 179.359 176.117 -0.005 0.000 1.102 445 I CA 0.926 62.229 61.300 0.005 0.000 1.385 445 I CB -0.117 37.882 38.000 -0.002 0.000 1.064 445 I HN 0.237 nan 8.210 nan 0.000 0.414 446 A N 0.422 123.234 122.820 -0.013 0.000 1.898 446 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 446 A C 2.404 179.981 177.584 -0.011 0.000 1.181 446 A CA 1.602 53.628 52.037 -0.017 0.000 0.620 446 A CB -0.609 18.375 19.000 -0.026 0.000 0.819 446 A HN 0.416 nan 8.150 nan 0.000 0.442 447 M N -0.604 118.982 119.600 -0.024 0.000 2.086 447 M HA -0.125 4.355 4.480 -0.000 0.000 0.261 447 M C 2.007 178.304 176.300 -0.005 0.000 1.067 447 M CA 1.928 57.211 55.300 -0.028 0.000 1.116 447 M CB -0.209 32.347 32.600 -0.072 0.000 1.348 447 M HN 0.202 nan 8.290 nan 0.000 0.407 448 V N 0.801 120.711 119.914 -0.007 0.000 2.407 448 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 448 V C 2.009 178.133 176.094 0.051 0.000 1.055 448 V CA 1.437 63.744 62.300 0.011 0.000 1.049 448 V CB -0.315 31.512 31.823 0.008 0.000 0.662 448 V HN 0.499 nan 8.190 nan 0.000 0.455 449 L N -1.267 119.996 121.223 0.068 0.000 2.629 449 L HA 0.127 4.467 4.340 -0.000 0.000 0.230 449 L C 1.893 178.894 176.870 0.218 0.000 1.151 449 L CA 0.268 55.199 54.840 0.151 0.000 0.924 449 L CB 0.219 42.322 42.059 0.072 0.000 1.137 449 L HN 0.211 nan 8.230 nan 0.000 0.457 450 S N -0.931 114.864 115.700 0.159 0.000 2.891 450 S HA 0.180 4.649 4.470 -0.000 0.000 0.247 450 S C 2.039 176.750 174.600 0.184 0.000 1.063 450 S CA 0.606 58.891 58.200 0.143 0.000 0.857 450 S CB 0.312 63.538 63.200 0.043 0.000 0.800 450 S HN 0.374 nan 8.310 nan 0.000 0.540 451 A N 1.906 124.791 122.820 0.109 0.000 1.908 451 A HA -0.093 4.226 4.320 -0.000 0.000 0.218 451 A C 2.187 179.808 177.584 0.062 0.000 1.181 451 A CA 2.051 54.137 52.037 0.081 0.000 0.627 451 A CB -1.285 17.742 19.000 0.045 0.000 0.818 451 A HN 0.692 nan 8.150 nan 0.000 0.445 452 V N -4.025 115.894 119.914 0.010 0.000 2.660 452 V HA -0.191 3.928 4.120 -0.000 0.000 0.257 452 V C 1.795 177.680 176.094 -0.349 0.000 1.088 452 V CA 1.811 63.993 62.300 -0.198 0.000 1.106 452 V CB -1.317 30.284 31.823 -0.370 0.000 0.686 452 V HN 0.402 nan 8.190 nan 0.000 0.481 453 F N -0.810 119.122 119.950 -0.031 0.000 2.641 453 F HA 0.421 4.948 4.527 -0.000 0.000 0.302 453 F C 1.796 177.590 175.800 -0.010 0.000 1.098 453 F CA 0.020 57.995 58.000 -0.042 0.000 1.318 453 F CB -0.027 38.953 39.000 -0.034 0.000 1.035 453 F HN -0.059 nan 8.300 nan 0.000 0.551 454 V N 0.792 120.798 119.914 0.154 0.000 2.374 454 V HA -0.054 4.066 4.120 -0.000 0.000 0.241 454 V C -0.282 175.978 176.094 0.277 0.000 1.034 454 V CA 1.211 63.615 62.300 0.174 0.000 1.037 454 V CB -1.258 30.671 31.823 0.176 0.000 0.682 454 V HN 0.123 nan 8.190 nan 0.000 0.463 455 P HA -0.217 nan 4.420 nan 0.000 0.215 455 P C 2.059 179.697 177.300 0.563 0.000 1.153 455 P CA 1.877 65.257 63.100 0.466 0.000 0.853 455 P CB -0.270 31.601 31.700 0.285 0.000 0.788 456 M N -1.137 118.570 119.600 0.177 0.000 2.106 456 M HA -0.177 4.303 4.480 -0.000 0.000 0.259 456 M C 2.025 178.556 176.300 0.386 0.000 1.068 456 M CA 2.614 57.943 55.300 0.048 0.000 1.100 456 M CB -1.507 30.822 32.600 -0.452 0.000 1.351 456 M HN -0.160 nan 8.290 nan 0.000 0.404 457 A N 0.240 123.200 122.820 0.233 0.000 2.042 457 A HA -0.148 4.171 4.320 -0.000 0.000 0.222 457 A C 1.645 179.272 177.584 0.071 0.000 1.167 457 A CA 1.751 53.846 52.037 0.097 0.000 0.649 457 A CB -1.212 17.706 19.000 -0.137 0.000 0.809 457 A HN 0.671 nan 8.150 nan 0.000 0.457 458 F N -2.057 118.068 119.950 0.292 0.000 2.664 458 F HA 0.267 4.794 4.527 -0.000 0.000 0.296 458 F C 0.614 176.481 175.800 0.112 0.000 1.125 458 F CA -0.421 57.679 58.000 0.166 0.000 1.444 458 F CB -0.158 38.878 39.000 0.060 0.000 1.114 458 F HN 0.042 nan 8.300 nan 0.000 0.576 459 F N 0.190 120.328 119.950 0.313 0.000 2.480 459 F HA 0.437 4.964 4.527 -0.000 0.000 0.319 459 F C 1.211 177.117 175.800 0.176 0.000 1.230 459 F CA -0.393 57.752 58.000 0.241 0.000 1.285 459 F CB -0.192 38.983 39.000 0.292 0.000 1.208 459 F HN -0.143 nan 8.300 nan 0.000 0.579 460 G N -1.143 107.805 108.800 0.246 0.000 2.820 460 G HA2 0.599 4.558 3.960 -0.000 0.000 0.291 460 G HA3 0.599 4.558 3.960 -0.000 0.000 0.291 460 G C -0.255 174.724 174.900 0.131 0.000 1.323 460 G CA -0.318 44.876 45.100 0.158 0.000 1.055 460 G HN 1.151 nan 8.290 nan 0.000 0.520 461 G N -1.203 107.666 108.800 0.116 0.000 2.760 461 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.246 461 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.246 461 G C 1.071 176.027 174.900 0.093 0.000 1.359 461 G CA 0.422 45.592 45.100 0.117 0.000 0.861 461 G HN 1.323 nan 8.290 nan 0.000 0.541 462 S N -0.584 115.184 115.700 0.113 0.000 2.402 462 S HA -0.078 4.392 4.470 -0.000 0.000 0.229 462 S C 2.537 177.160 174.600 0.037 0.000 1.021 462 S CA 2.244 60.511 58.200 0.113 0.000 0.974 462 S CB -0.383 62.939 63.200 0.203 0.000 0.800 462 S HN 0.904 nan 8.310 nan 0.000 0.484 463 T N 1.867 116.422 114.554 0.002 0.000 2.720 463 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 463 T C 2.110 176.474 174.700 -0.561 0.000 1.037 463 T CA 1.445 63.357 62.100 -0.313 0.000 1.144 463 T CB -0.859 67.830 68.868 -0.298 0.000 0.864 463 T HN 0.569 nan 8.240 nan 0.000 0.444 464 G N 0.877 109.552 108.800 -0.208 0.000 2.432 464 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.219 464 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.219 464 G C 1.753 176.724 174.900 0.119 0.000 1.135 464 G CA 0.895 46.014 45.100 0.032 0.000 0.767 464 G HN 0.595 nan 8.290 nan 0.000 0.550 465 A N 0.496 123.360 122.820 0.073 0.000 1.968 465 A HA 0.197 4.517 4.320 -0.000 0.000 0.217 465 A C 2.348 180.021 177.584 0.149 0.000 1.169 465 A CA 0.846 52.955 52.037 0.120 0.000 0.638 465 A CB -0.224 18.829 19.000 0.087 0.000 0.812 465 A HN 0.364 nan 8.150 nan 0.000 0.446 466 I N -1.646 118.969 120.570 0.075 0.000 2.252 466 I HA -0.277 3.892 4.170 -0.000 0.000 0.245 466 I C 2.376 178.771 176.117 0.464 0.000 1.102 466 I CA 1.295 62.694 61.300 0.164 0.000 1.385 466 I CB -0.471 37.523 38.000 -0.009 0.000 1.064 466 I HN 0.450 nan 8.210 nan 0.000 0.414 467 Y N 0.912 121.355 120.300 0.239 0.000 2.097 467 Y HA -0.303 4.246 4.550 -0.001 0.000 0.282 467 Y C 2.965 179.038 175.900 0.288 0.000 1.152 467 Y CA 0.828 59.081 58.100 0.255 0.000 1.136 467 Y CB -0.298 38.252 38.460 0.151 0.000 0.975 467 Y HN 0.065 nan 8.280 nan 0.000 0.498 468 R N 0.059 120.796 120.500 0.395 0.000 2.091 468 R HA -0.209 4.130 4.340 -0.000 0.000 0.238 468 R C 2.221 178.620 176.300 0.166 0.000 1.136 468 R CA 1.515 57.771 56.100 0.260 0.000 0.959 468 R CB -0.299 30.176 30.300 0.291 0.000 0.856 468 R HN 0.407 nan 8.270 nan 0.000 0.437 469 Q N -0.236 119.689 119.800 0.208 0.000 2.152 469 Q HA -0.188 4.151 4.340 -0.000 0.000 0.206 469 Q C 1.992 177.893 176.000 -0.165 0.000 0.985 469 Q CA 1.678 57.481 55.803 0.000 0.000 0.863 469 Q CB -0.360 28.364 28.738 -0.023 0.000 0.904 469 Q HN 0.371 nan 8.270 nan 0.000 0.422 470 F N 0.686 120.677 119.950 0.068 0.000 2.149 470 F HA -0.087 4.440 4.527 -0.000 0.000 0.294 470 F C 2.633 178.390 175.800 -0.071 0.000 1.095 470 F CA 0.930 58.953 58.000 0.037 0.000 1.276 470 F CB -0.465 38.639 39.000 0.173 0.000 1.023 470 F HN -0.065 nan 8.300 nan 0.000 0.480 471 S N 0.677 116.483 115.700 0.177 0.000 2.359 471 S HA -0.255 4.214 4.470 -0.000 0.000 0.222 471 S C 2.035 176.542 174.600 -0.154 0.000 1.038 471 S CA 1.676 59.906 58.200 0.050 0.000 1.051 471 S CB -0.726 62.511 63.200 0.062 0.000 0.944 471 S HN 0.269 nan 8.310 nan 0.000 0.433 472 I N 1.646 122.036 120.570 -0.299 0.000 2.151 472 I HA -0.227 3.943 4.170 -0.000 0.000 0.243 472 I C 2.238 178.113 176.117 -0.404 0.000 1.080 472 I CA 1.730 62.737 61.300 -0.487 0.000 1.339 472 I CB -0.870 36.532 38.000 -0.996 0.000 1.039 472 I HN 0.246 nan 8.210 nan 0.000 0.409 473 T N 1.142 115.472 114.554 -0.373 0.000 2.668 473 T HA -0.091 4.259 4.350 -0.000 0.000 0.262 473 T C 1.975 176.511 174.700 -0.274 0.000 1.045 473 T CA 1.757 63.664 62.100 -0.321 0.000 1.152 473 T CB -0.227 68.456 68.868 -0.308 0.000 0.864 473 T HN 0.173 nan 8.240 nan 0.000 0.419 474 I N 1.217 121.610 120.570 -0.295 0.000 2.226 474 I HA -0.084 4.086 4.170 -0.000 0.000 0.245 474 I C 2.575 178.503 176.117 -0.314 0.000 1.100 474 I CA 0.988 62.057 61.300 -0.385 0.000 1.374 474 I CB -1.492 36.021 38.000 -0.811 0.000 1.057 474 I HN 0.111 nan 8.210 nan 0.000 0.413 475 V N 0.599 120.356 119.914 -0.260 0.000 2.358 475 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 475 V C 2.601 178.609 176.094 -0.144 0.000 1.047 475 V CA 1.848 64.051 62.300 -0.161 0.000 1.035 475 V CB -0.682 31.071 31.823 -0.117 0.000 0.658 475 V HN 0.362 nan 8.190 nan 0.000 0.452 476 S N 0.194 115.790 115.700 -0.173 0.000 2.368 476 S HA -0.152 4.317 4.470 -0.000 0.000 0.225 476 S C 2.218 176.748 174.600 -0.117 0.000 1.030 476 S CA 1.344 59.461 58.200 -0.138 0.000 0.999 476 S CB -0.483 62.621 63.200 -0.160 0.000 0.844 476 S HN 0.647 nan 8.310 nan 0.000 0.459 477 A N 2.429 125.162 122.820 -0.144 0.000 1.841 477 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 477 A C 2.155 179.684 177.584 -0.091 0.000 1.199 477 A CA 1.747 53.713 52.037 -0.119 0.000 0.621 477 A CB -0.688 18.230 19.000 -0.137 0.000 0.835 477 A HN 0.350 nan 8.150 nan 0.000 0.445 478 M N -0.219 119.321 119.600 -0.100 0.000 2.080 478 M HA -0.131 4.349 4.480 -0.000 0.000 0.260 478 M C 2.506 178.772 176.300 -0.057 0.000 1.068 478 M CA 1.575 56.832 55.300 -0.071 0.000 1.109 478 M CB -1.877 30.681 32.600 -0.069 0.000 1.342 478 M HN 0.500 nan 8.290 nan 0.000 0.405 479 A N 0.277 123.061 122.820 -0.059 0.000 1.892 479 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 479 A C 2.368 179.926 177.584 -0.043 0.000 1.188 479 A CA 1.595 53.604 52.037 -0.046 0.000 0.631 479 A CB -1.031 17.943 19.000 -0.043 0.000 0.822 479 A HN 0.496 nan 8.150 nan 0.000 0.447 480 L N 0.426 121.621 121.223 -0.047 0.000 2.141 480 L HA -0.165 4.174 4.340 -0.000 0.000 0.209 480 L C 3.015 179.855 176.870 -0.050 0.000 1.094 480 L CA 1.368 56.182 54.840 -0.044 0.000 0.763 480 L CB -0.460 41.575 42.059 -0.039 0.000 0.908 480 L HN 0.642 nan 8.230 nan 0.000 0.437 481 S N -0.032 115.638 115.700 -0.049 0.000 2.356 481 S HA -0.158 4.312 4.470 -0.000 0.000 0.223 481 S C 1.966 176.536 174.600 -0.050 0.000 1.032 481 S CA 1.253 59.425 58.200 -0.046 0.000 1.005 481 S CB -1.089 62.087 63.200 -0.039 0.000 0.867 481 S HN 0.293 nan 8.310 nan 0.000 0.449 482 V N 0.146 120.033 119.914 -0.045 0.000 2.407 482 V HA -0.048 4.072 4.120 -0.000 0.000 0.248 482 V C 2.461 178.521 176.094 -0.055 0.000 1.055 482 V CA 1.266 63.540 62.300 -0.043 0.000 1.049 482 V CB -1.354 30.447 31.823 -0.036 0.000 0.662 482 V HN 0.342 nan 8.190 nan 0.000 0.455 483 L N 0.258 121.445 121.223 -0.061 0.000 2.012 483 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 483 L C 2.576 179.373 176.870 -0.121 0.000 1.073 483 L CA 1.939 56.731 54.840 -0.081 0.000 0.748 483 L CB -0.682 41.336 42.059 -0.069 0.000 0.891 483 L HN 0.226 nan 8.230 nan 0.000 0.431 484 V N -0.681 119.167 119.914 -0.111 0.000 2.427 484 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 484 V C 2.581 178.593 176.094 -0.136 0.000 1.051 484 V CA 1.442 63.660 62.300 -0.138 0.000 1.048 484 V CB -1.170 30.590 31.823 -0.105 0.000 0.666 484 V HN 0.522 nan 8.190 nan 0.000 0.456 485 A N -0.726 122.037 122.820 -0.095 0.000 2.119 485 A HA 0.024 4.344 4.320 -0.000 0.000 0.217 485 A C 2.056 179.600 177.584 -0.067 0.000 1.153 485 A CA 1.206 53.198 52.037 -0.075 0.000 0.692 485 A CB -0.300 18.669 19.000 -0.051 0.000 0.799 485 A HN 0.544 nan 8.150 nan 0.000 0.458 486 L N -1.609 119.568 121.223 -0.077 0.000 2.590 486 L HA 0.263 4.603 4.340 -0.000 0.000 0.227 486 L C 1.743 178.575 176.870 -0.063 0.000 1.099 486 L CA 0.154 54.969 54.840 -0.042 0.000 0.872 486 L CB 0.075 42.123 42.059 -0.019 0.000 1.088 486 L HN 0.335 nan 8.230 nan 0.000 0.479 487 I N -1.574 118.867 120.570 -0.216 0.000 3.744 487 I HA -0.059 4.111 4.170 -0.000 0.000 0.240 487 I C 1.845 177.734 176.117 -0.380 0.000 1.096 487 I CA 0.137 61.144 61.300 -0.489 0.000 1.558 487 I CB 0.088 37.560 38.000 -0.879 0.000 1.531 487 I HN 0.000 nan 8.210 nan 0.000 0.459 488 L N 0.929 121.929 121.223 -0.372 0.000 1.973 488 L HA -0.136 4.203 4.340 -0.000 0.000 0.208 488 L C 2.528 179.234 176.870 -0.273 0.000 1.073 488 L CA 2.318 56.931 54.840 -0.377 0.000 0.746 488 L CB -0.835 40.971 42.059 -0.422 0.000 0.891 488 L HN 0.243 nan 8.230 nan 0.000 0.433 489 T N 0.031 114.462 114.554 -0.205 0.000 2.714 489 T HA -0.178 4.171 4.350 -0.000 0.000 0.268 489 T C -0.699 173.945 174.700 -0.094 0.000 1.036 489 T CA 2.101 64.119 62.100 -0.136 0.000 1.148 489 T CB -1.381 67.429 68.868 -0.097 0.000 0.856 489 T HN 0.347 nan 8.240 nan 0.000 0.462 490 P HA 0.191 nan 4.420 nan 0.000 0.217 490 P C 1.614 178.899 177.300 -0.026 0.000 1.154 490 P CA 0.998 64.080 63.100 -0.030 0.000 0.841 490 P CB -0.221 31.481 31.700 0.004 0.000 0.790 491 A N -0.680 122.116 122.820 -0.040 0.000 2.070 491 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 491 A C 2.095 179.653 177.584 -0.042 0.000 1.159 491 A CA 1.318 53.339 52.037 -0.027 0.000 0.656 491 A CB -1.552 17.429 19.000 -0.032 0.000 0.800 491 A HN 0.116 nan 8.150 nan 0.000 0.453 492 L N -1.473 119.697 121.223 -0.087 0.000 2.102 492 L HA -0.134 4.206 4.340 -0.000 0.000 0.202 492 L C 2.616 179.481 176.870 -0.009 0.000 1.076 492 L CA 0.842 55.650 54.840 -0.054 0.000 0.761 492 L CB -0.721 41.272 42.059 -0.109 0.000 0.921 492 L HN 0.425 nan 8.230 nan 0.000 0.444 493 C N 0.488 119.776 119.300 -0.020 0.000 2.413 493 C HA -0.135 4.325 4.460 -0.000 0.000 0.276 493 C C 2.336 177.333 174.990 0.013 0.000 1.248 493 C CA 0.824 59.841 59.018 -0.002 0.000 1.742 493 C CB -1.050 26.685 27.740 -0.008 0.000 2.017 493 C HN 0.541 nan 8.230 nan 0.000 0.481 494 A N -0.700 122.128 122.820 0.013 0.000 2.648 494 A HA 0.372 4.692 4.320 -0.000 0.000 0.269 494 A C 1.192 178.796 177.584 0.034 0.000 1.392 494 A CA 0.788 52.838 52.037 0.022 0.000 1.019 494 A CB -0.411 18.599 19.000 0.018 0.000 1.009 494 A HN 0.600 nan 8.150 nan 0.000 0.565 495 T N -2.102 112.478 114.554 0.043 0.000 3.421 495 T HA 0.126 4.476 4.350 -0.000 0.000 0.277 495 T C 1.520 176.265 174.700 0.074 0.000 0.867 495 T CA 0.324 62.463 62.100 0.064 0.000 0.957 495 T CB -0.191 68.729 68.868 0.086 0.000 1.225 495 T HN 0.327 nan 8.240 nan 0.000 0.544 496 M N 1.141 120.782 119.600 0.068 0.000 2.718 496 M HA 0.341 4.821 4.480 -0.000 0.000 0.259 496 M C -0.093 176.246 176.300 0.065 0.000 1.240 496 M CA 0.358 55.702 55.300 0.075 0.000 1.210 496 M CB 0.032 32.676 32.600 0.074 0.000 1.281 496 M HN 0.157 nan 8.290 nan 0.000 0.515 497 L N 0.754 122.007 121.223 0.050 0.000 2.453 497 L HA 0.260 4.600 4.340 -0.000 0.000 0.272 497 L C 0.082 176.985 176.870 0.055 0.000 1.182 497 L CA 0.030 54.900 54.840 0.051 0.000 0.858 497 L CB -0.396 41.685 42.059 0.037 0.000 1.120 497 L HN 0.010 nan 8.230 nan 0.000 0.474 498 K N 2.918 123.357 120.400 0.063 0.000 2.237 498 K HA 0.395 4.715 4.320 -0.000 0.000 0.270 498 K C -2.209 174.422 176.600 0.051 0.000 1.015 498 K CA -1.601 54.722 56.287 0.060 0.000 0.949 498 K CB 0.615 33.157 32.500 0.070 0.000 0.976 498 K HN 0.538 nan 8.250 nan 0.000 0.472 499 P HA 0.056 nan 4.420 nan 0.000 0.269 499 P C -0.838 176.487 177.300 0.042 0.000 1.209 499 P CA 0.256 63.380 63.100 0.040 0.000 0.776 499 P CB 0.471 32.193 31.700 0.036 0.000 0.876 500 I N 1.368 121.962 120.570 0.040 0.000 2.441 500 I HA 0.476 4.646 4.170 -0.000 0.000 0.295 500 I C 0.350 176.490 176.117 0.038 0.000 0.994 500 I CA -1.120 60.205 61.300 0.042 0.000 1.144 500 I CB 1.859 39.887 38.000 0.047 0.000 1.314 500 I HN 0.297 nan 8.210 nan 0.000 0.445 501 A N 6.168 129.009 122.820 0.034 0.000 2.401 501 A HA 0.239 4.559 4.320 -0.000 0.000 0.259 501 A C 0.249 177.851 177.584 0.029 0.000 1.103 501 A CA -0.349 51.705 52.037 0.028 0.000 0.789 501 A CB 0.350 19.363 19.000 0.021 0.000 1.035 501 A HN 0.797 nan 8.150 nan 0.000 0.491 502 K N 1.127 121.545 120.400 0.030 0.000 2.591 502 K HA 0.129 4.448 4.320 -0.000 0.000 0.280 502 K C 1.434 178.049 176.600 0.025 0.000 0.964 502 K CA 1.472 57.782 56.287 0.038 0.000 1.014 502 K CB -0.084 32.435 32.500 0.031 0.000 0.877 502 K HN 1.626 nan 8.250 nan 0.000 0.502 503 G N 3.126 111.952 108.800 0.043 0.000 2.562 503 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.241 503 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.241 503 G C 0.508 175.315 174.900 -0.155 0.000 1.120 503 G CA 0.756 45.839 45.100 -0.030 0.000 0.673 503 G HN 0.849 nan 8.290 nan 0.000 0.519 504 D N 2.030 122.391 120.400 -0.065 0.000 2.644 504 D HA 0.230 4.870 4.640 -0.000 0.000 0.252 504 D C 0.949 177.230 176.300 -0.031 0.000 1.254 504 D CA 0.297 54.256 54.000 -0.068 0.000 0.884 504 D CB -0.921 39.872 40.800 -0.012 0.000 1.034 504 D HN 0.827 nan 8.370 nan 0.000 0.473 505 H N -2.373 116.704 119.070 0.012 0.000 2.610 505 H HA 0.536 5.092 4.556 -0.000 0.000 0.336 505 H C 1.498 176.832 175.328 0.010 0.000 1.087 505 H CA -0.222 55.832 56.048 0.010 0.000 1.405 505 H CB 1.436 31.200 29.762 0.003 0.000 1.460 505 H HN -0.008 nan 8.280 nan 0.000 0.538 506 G N 2.036 110.957 108.800 0.202 0.000 2.383 506 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.229 506 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.229 506 G C 0.126 175.059 174.900 0.056 0.000 1.089 506 G CA -0.013 45.172 45.100 0.141 0.000 0.640 506 G HN 0.922 nan 8.290 nan 0.000 0.510 507 E N -0.376 119.837 120.200 0.021 0.000 2.230 507 E HA -0.131 4.219 4.350 -0.000 0.000 0.206 507 E C 0.815 177.428 176.600 0.023 0.000 1.309 507 E CA 0.308 56.718 56.400 0.018 0.000 0.697 507 E CB -1.822 27.902 29.700 0.040 0.000 1.146 507 E HN 1.562 nan 8.360 nan 0.000 0.363 508 G N 2.425 111.224 108.800 -0.002 0.000 2.778 508 G HA2 0.205 4.165 3.960 -0.000 0.000 0.287 508 G HA3 0.205 4.165 3.960 -0.000 0.000 0.287 508 G C 0.069 174.983 174.900 0.023 0.000 0.747 508 G CA 0.536 45.639 45.100 0.005 0.000 1.961 508 G HN 0.328 nan 8.290 nan 0.000 0.539 509 K N 0.434 120.865 120.400 0.052 0.000 2.609 509 K HA 0.602 4.922 4.320 -0.000 0.000 0.261 509 K C -0.636 176.017 176.600 0.087 0.000 0.945 509 K CA -1.064 55.259 56.287 0.060 0.000 0.898 509 K CB 1.235 33.761 32.500 0.043 0.000 1.349 509 K HN 0.313 nan 8.250 nan 0.000 0.420 510 K N 0.527 120.979 120.400 0.086 0.000 7.664 510 K HA -0.060 4.260 4.320 -0.000 0.000 0.618 510 K C -0.069 176.586 176.600 0.090 0.000 1.362 510 K CA 0.092 56.430 56.287 0.085 0.000 0.984 510 K CB -1.374 31.189 32.500 0.105 0.000 1.384 510 K HN 0.771 nan 8.250 nan 0.000 0.745 511 G N 0.404 109.251 108.800 0.078 0.000 3.199 511 G HA2 0.146 4.106 3.960 -0.000 0.000 0.184 511 G HA3 0.146 4.106 3.960 -0.000 0.000 0.184 511 G C 0.687 175.694 174.900 0.180 0.000 1.974 511 G CA 0.691 45.845 45.100 0.089 0.000 0.885 511 G HN 0.398 nan 8.290 nan 0.000 0.575 512 F N 0.704 120.658 119.950 0.006 0.000 2.075 512 F HA 0.067 4.593 4.527 -0.000 0.000 0.297 512 F C 2.549 178.578 175.800 0.381 0.000 1.113 512 F CA 1.433 59.510 58.000 0.129 0.000 1.218 512 F CB -0.551 38.444 39.000 -0.008 0.000 0.984 512 F HN 0.212 nan 8.300 nan 0.000 0.472 513 F N 0.395 120.376 119.950 0.052 0.000 2.115 513 F HA -0.259 4.268 4.527 -0.000 0.000 0.300 513 F C 2.655 178.449 175.800 -0.010 0.000 1.092 513 F CA 0.543 58.514 58.000 -0.049 0.000 1.245 513 F CB -1.225 37.776 39.000 0.002 0.000 0.995 513 F HN 0.179 nan 8.300 nan 0.000 0.481 514 G N -0.582 108.362 108.800 0.240 0.000 2.440 514 G HA2 -0.326 3.633 3.960 -0.000 0.000 0.218 514 G HA3 -0.326 3.633 3.960 -0.000 0.000 0.218 514 G C 1.194 176.163 174.900 0.114 0.000 1.154 514 G CA 0.743 45.932 45.100 0.150 0.000 0.767 514 G HN 0.506 nan 8.290 nan 0.000 0.552 515 W N 0.678 121.956 121.300 -0.036 0.000 2.352 515 W HA 0.021 4.681 4.660 -0.001 0.000 0.322 515 W C 2.255 178.711 176.519 -0.106 0.000 1.208 515 W CA 1.549 58.852 57.345 -0.070 0.000 1.286 515 W CB -0.766 28.645 29.460 -0.080 0.000 1.167 515 W HN 0.116 nan 8.180 nan 0.000 0.469 516 F N 1.703 121.468 119.950 -0.308 0.000 2.027 516 F HA -0.380 4.146 4.527 -0.000 0.000 0.297 516 F C 2.188 177.761 175.800 -0.379 0.000 1.129 516 F CA 2.963 60.667 58.000 -0.493 0.000 1.195 516 F CB -1.118 37.584 39.000 -0.497 0.000 0.960 516 F HN -0.033 nan 8.300 nan 0.000 0.485 517 N N -0.310 118.283 118.700 -0.179 0.000 2.036 517 N HA -0.311 4.429 4.740 -0.000 0.000 0.199 517 N C 1.854 177.244 175.510 -0.200 0.000 1.036 517 N CA 1.858 54.812 53.050 -0.159 0.000 0.870 517 N CB -0.296 38.182 38.487 -0.016 0.000 1.055 517 N HN 0.200 nan 8.380 nan 0.000 0.436 518 R N 0.400 120.779 120.500 -0.203 0.000 2.096 518 R HA -0.089 4.251 4.340 -0.000 0.000 0.240 518 R C 2.328 178.456 176.300 -0.286 0.000 1.139 518 R CA 1.318 57.301 56.100 -0.195 0.000 0.952 518 R CB -0.311 29.880 30.300 -0.182 0.000 0.854 518 R HN 0.269 nan 8.270 nan 0.000 0.436 519 M N -0.599 118.690 119.600 -0.518 0.000 2.106 519 M HA -0.219 4.260 4.480 -0.000 0.000 0.259 519 M C 1.932 178.003 176.300 -0.382 0.000 1.068 519 M CA 1.762 56.709 55.300 -0.588 0.000 1.100 519 M CB -0.535 31.443 32.600 -1.036 0.000 1.351 519 M HN 0.211 nan 8.290 nan 0.000 0.404 520 F N 0.778 120.355 119.950 -0.622 0.000 2.128 520 F HA -0.211 4.316 4.527 -0.000 0.000 0.295 520 F C 2.253 177.897 175.800 -0.259 0.000 1.100 520 F CA 1.086 58.793 58.000 -0.488 0.000 1.260 520 F CB -0.051 38.579 39.000 -0.617 0.000 1.009 520 F HN 0.138 nan 8.300 nan 0.000 0.476 521 E N 0.733 120.802 120.200 -0.217 0.000 2.070 521 E HA -0.298 4.051 4.350 -0.000 0.000 0.197 521 E C 2.062 178.593 176.600 -0.115 0.000 1.004 521 E CA 1.380 57.665 56.400 -0.191 0.000 0.805 521 E CB -0.507 29.180 29.700 -0.022 0.000 0.744 521 E HN 0.429 nan 8.360 nan 0.000 0.451 522 K N 0.429 120.809 120.400 -0.032 0.000 2.009 522 K HA -0.104 4.215 4.320 -0.000 0.000 0.210 522 K C 2.347 179.078 176.600 0.217 0.000 1.049 522 K CA 1.598 57.966 56.287 0.136 0.000 0.929 522 K CB -0.036 32.497 32.500 0.056 0.000 0.714 522 K HN -0.076 nan 8.250 nan 0.000 0.440 523 S N 0.004 115.661 115.700 -0.072 0.000 2.399 523 S HA -0.100 4.369 4.470 -0.000 0.000 0.231 523 S C 1.725 176.286 174.600 -0.066 0.000 1.022 523 S CA 1.621 59.760 58.200 -0.102 0.000 0.983 523 S CB -0.256 62.833 63.200 -0.185 0.000 0.803 523 S HN 0.445 nan 8.310 nan 0.000 0.480 524 T N 1.205 115.568 114.554 -0.319 0.000 2.788 524 T HA -0.097 4.252 4.350 -0.000 0.000 0.268 524 T C 1.533 176.135 174.700 -0.164 0.000 1.044 524 T CA 1.119 63.019 62.100 -0.333 0.000 1.139 524 T CB -0.321 68.191 68.868 -0.594 0.000 0.867 524 T HN 0.489 nan 8.240 nan 0.000 0.454 525 H N 0.652 119.711 119.070 -0.019 0.000 2.326 525 H HA -0.020 4.536 4.556 -0.000 0.000 0.301 525 H C 2.434 177.747 175.328 -0.024 0.000 1.081 525 H CA 1.555 57.573 56.048 -0.050 0.000 1.334 525 H CB -0.505 29.196 29.762 -0.101 0.000 1.385 525 H HN 0.493 nan 8.280 nan 0.000 0.504 526 H N -0.567 118.558 119.070 0.092 0.000 2.352 526 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 526 H C 2.109 177.497 175.328 0.099 0.000 1.097 526 H CA 1.730 57.822 56.048 0.073 0.000 1.311 526 H CB -0.485 29.318 29.762 0.068 0.000 1.377 526 H HN 0.327 nan 8.280 nan 0.000 0.504 527 Y N 1.438 121.809 120.300 0.119 0.000 2.133 527 Y HA -0.232 4.318 4.550 -0.000 0.000 0.287 527 Y C 2.385 178.294 175.900 0.015 0.000 1.134 527 Y CA 1.842 59.980 58.100 0.064 0.000 1.133 527 Y CB -0.717 37.709 38.460 -0.058 0.000 0.987 527 Y HN 0.109 nan 8.280 nan 0.000 0.502 528 T N 0.670 115.078 114.554 -0.242 0.000 2.635 528 T HA -0.210 4.139 4.350 -0.000 0.000 0.267 528 T C 1.493 176.063 174.700 -0.217 0.000 1.040 528 T CA 1.776 63.685 62.100 -0.318 0.000 1.156 528 T CB -0.461 68.308 68.868 -0.166 0.000 0.863 528 T HN 0.405 nan 8.240 nan 0.000 0.430 529 D N 0.602 120.939 120.400 -0.104 0.000 2.117 529 D HA -0.072 4.568 4.640 -0.000 0.000 0.197 529 D C 2.394 178.643 176.300 -0.084 0.000 0.987 529 D CA 1.043 54.994 54.000 -0.082 0.000 0.829 529 D CB -0.422 40.341 40.800 -0.062 0.000 0.961 529 D HN 0.305 nan 8.370 nan 0.000 0.460 530 S N -0.043 115.624 115.700 -0.054 0.000 2.356 530 S HA -0.126 4.344 4.470 -0.000 0.000 0.223 530 S C 2.197 176.745 174.600 -0.086 0.000 1.032 530 S CA 0.981 59.167 58.200 -0.024 0.000 1.005 530 S CB -0.258 63.008 63.200 0.110 0.000 0.867 530 S HN 0.024 nan 8.310 nan 0.000 0.449 531 V N 1.702 121.502 119.914 -0.191 0.000 2.220 531 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 531 V C 2.812 178.791 176.094 -0.192 0.000 1.049 531 V CA 2.068 64.225 62.300 -0.238 0.000 1.003 531 V CB -1.739 29.826 31.823 -0.429 0.000 0.634 531 V HN 0.631 nan 8.190 nan 0.000 0.444 532 G N -0.145 108.550 108.800 -0.175 0.000 2.547 532 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.221 532 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.221 532 G C 1.556 176.390 174.900 -0.110 0.000 1.140 532 G CA 1.378 46.402 45.100 -0.126 0.000 0.760 532 G HN 0.651 nan 8.290 nan 0.000 0.583 533 G N 1.698 110.436 108.800 -0.104 0.000 2.484 533 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 533 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 533 G C 1.867 176.702 174.900 -0.107 0.000 1.219 533 G CA 1.290 46.340 45.100 -0.083 0.000 0.791 533 G HN 0.767 nan 8.290 nan 0.000 0.550 534 I N -1.256 119.209 120.570 -0.175 0.000 2.399 534 I HA -0.087 4.083 4.170 -0.000 0.000 0.254 534 I C 2.314 178.239 176.117 -0.321 0.000 1.146 534 I CA 1.084 62.179 61.300 -0.341 0.000 1.412 534 I CB -0.367 37.191 38.000 -0.737 0.000 1.076 534 I HN 0.056 nan 8.210 nan 0.000 0.432 535 L N 0.976 122.063 121.223 -0.228 0.000 2.549 535 L HA -0.003 4.337 4.340 -0.000 0.000 0.229 535 L C 2.506 179.318 176.870 -0.097 0.000 1.158 535 L CA 1.365 56.108 54.840 -0.161 0.000 0.842 535 L CB -0.825 41.159 42.059 -0.125 0.000 0.952 535 L HN 0.219 nan 8.230 nan 0.000 0.452 536 R N -1.738 118.714 120.500 -0.081 0.000 2.175 536 R HA 0.168 4.507 4.340 -0.000 0.000 0.202 536 R C 0.972 177.263 176.300 -0.016 0.000 1.018 536 R CA 0.896 56.972 56.100 -0.040 0.000 1.029 536 R CB 0.124 30.405 30.300 -0.032 0.000 0.959 536 R HN 0.420 nan 8.270 nan 0.000 0.480 537 S N 0.296 115.993 115.700 -0.005 0.000 2.383 537 S HA 0.047 4.517 4.470 -0.000 0.000 0.227 537 S C 1.061 175.718 174.600 0.096 0.000 1.261 537 S CA -0.339 57.893 58.200 0.054 0.000 1.262 537 S CB 0.628 63.882 63.200 0.091 0.000 0.992 537 S HN 0.237 nan 8.310 nan 0.000 0.491 538 T N -0.598 113.975 114.554 0.031 0.000 2.699 538 T HA -0.104 4.245 4.350 -0.000 0.000 0.268 538 T C 2.069 176.872 174.700 0.172 0.000 1.036 538 T CA 1.688 63.812 62.100 0.039 0.000 1.147 538 T CB -1.350 67.524 68.868 0.009 0.000 0.862 538 T HN 0.556 nan 8.240 nan 0.000 0.446 539 G N 1.825 110.707 108.800 0.136 0.000 2.513 539 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.219 539 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.219 539 G C 1.655 176.660 174.900 0.174 0.000 1.160 539 G CA 1.111 46.295 45.100 0.140 0.000 0.767 539 G HN 0.636 nan 8.290 nan 0.000 0.571 540 R N -0.611 119.998 120.500 0.182 0.000 2.133 540 R HA -0.185 4.155 4.340 -0.000 0.000 0.247 540 R C 2.209 178.512 176.300 0.004 0.000 1.151 540 R CA 1.867 58.018 56.100 0.084 0.000 0.971 540 R CB -0.399 29.937 30.300 0.061 0.000 0.866 540 R HN 0.580 nan 8.270 nan 0.000 0.447 541 Y N -0.596 119.749 120.300 0.075 0.000 2.490 541 Y HA -0.023 4.527 4.550 -0.000 0.000 0.285 541 Y C 2.023 178.128 175.900 0.341 0.000 1.117 541 Y CA -0.245 57.955 58.100 0.167 0.000 1.262 541 Y CB 0.227 38.666 38.460 -0.036 0.000 1.043 541 Y HN 0.019 nan 8.280 nan 0.000 0.553 542 L N -0.670 120.775 121.223 0.370 0.000 2.083 542 L HA -0.181 4.158 4.340 -0.000 0.000 0.209 542 L C 2.243 179.297 176.870 0.306 0.000 1.083 542 L CA 1.310 56.351 54.840 0.334 0.000 0.752 542 L CB -1.382 40.816 42.059 0.231 0.000 0.899 542 L HN 0.172 nan 8.230 nan 0.000 0.433 543 V N -0.563 119.479 119.914 0.212 0.000 2.295 543 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 543 V C 2.669 178.856 176.094 0.156 0.000 1.049 543 V CA 1.038 63.425 62.300 0.145 0.000 1.024 543 V CB -0.416 31.453 31.823 0.076 0.000 0.648 543 V HN 0.263 nan 8.190 nan 0.000 0.447 544 L N -0.605 120.727 121.223 0.182 0.000 1.956 544 L HA -0.258 4.081 4.340 -0.000 0.000 0.216 544 L C 2.491 179.495 176.870 0.223 0.000 1.073 544 L CA 2.758 57.724 54.840 0.209 0.000 0.762 544 L CB -1.319 40.931 42.059 0.320 0.000 0.889 544 L HN 0.508 nan 8.230 nan 0.000 0.433 545 Y N -0.121 120.280 120.300 0.168 0.000 2.241 545 Y HA -0.290 4.260 4.550 -0.000 0.000 0.286 545 Y C 2.464 178.365 175.900 0.001 0.000 1.166 545 Y CA 1.463 59.521 58.100 -0.070 0.000 1.203 545 Y CB -0.147 38.356 38.460 0.071 0.000 0.977 545 Y HN 0.120 nan 8.280 nan 0.000 0.529 546 L N -0.395 120.938 121.223 0.183 0.000 2.093 546 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 546 L C 2.035 178.892 176.870 -0.021 0.000 1.085 546 L CA 1.429 56.316 54.840 0.078 0.000 0.755 546 L CB -0.716 41.422 42.059 0.131 0.000 0.904 546 L HN 0.257 nan 8.230 nan 0.000 0.435 547 I N -0.702 119.868 120.570 0.000 0.000 2.202 547 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 547 I C 2.329 178.410 176.117 -0.060 0.000 1.091 547 I CA 1.433 62.722 61.300 -0.017 0.000 1.368 547 I CB -0.385 37.619 38.000 0.007 0.000 1.058 547 I HN 0.146 nan 8.210 nan 0.000 0.410 548 I N -0.537 119.966 120.570 -0.111 0.000 2.208 548 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 548 I C 2.386 178.382 176.117 -0.202 0.000 1.097 548 I CA 1.080 62.285 61.300 -0.158 0.000 1.363 548 I CB -0.369 37.477 38.000 -0.256 0.000 1.051 548 I HN 0.026 nan 8.210 nan 0.000 0.413 549 V N 0.202 119.929 119.914 -0.312 0.000 2.515 549 V HA -0.190 3.930 4.120 -0.000 0.000 0.250 549 V C 2.287 178.312 176.094 -0.116 0.000 1.058 549 V CA 1.244 63.379 62.300 -0.276 0.000 1.064 549 V CB -0.164 31.455 31.823 -0.340 0.000 0.675 549 V HN 0.256 nan 8.190 nan 0.000 0.461 550 V N 0.687 120.558 119.914 -0.072 0.000 2.719 550 V HA -0.028 4.091 4.120 -0.000 0.000 0.252 550 V C 2.485 178.603 176.094 0.041 0.000 1.065 550 V CA 1.771 64.065 62.300 -0.010 0.000 1.086 550 V CB -0.769 31.046 31.823 -0.013 0.000 0.700 550 V HN 0.592 nan 8.190 nan 0.000 0.467 551 G N -0.850 107.966 108.800 0.026 0.000 2.408 551 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.215 551 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.215 551 G C 1.585 176.564 174.900 0.131 0.000 1.156 551 G CA 0.837 45.993 45.100 0.093 0.000 0.793 551 G HN 0.380 nan 8.290 nan 0.000 0.535 552 M N 1.068 120.701 119.600 0.055 0.000 2.065 552 M HA -0.053 4.427 4.480 -0.000 0.000 0.259 552 M C 2.798 179.165 176.300 0.112 0.000 1.069 552 M CA 2.014 57.350 55.300 0.060 0.000 1.110 552 M CB -0.261 32.322 32.600 -0.029 0.000 1.328 552 M HN 0.269 nan 8.290 nan 0.000 0.405 553 A N -0.536 122.330 122.820 0.076 0.000 1.908 553 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 553 A C 1.980 179.674 177.584 0.184 0.000 1.181 553 A CA 1.931 54.028 52.037 0.100 0.000 0.627 553 A CB -1.437 17.595 19.000 0.052 0.000 0.818 553 A HN 0.780 nan 8.150 nan 0.000 0.445 554 Y N 0.382 120.720 120.300 0.064 0.000 2.181 554 Y HA -0.113 4.437 4.550 -0.000 0.000 0.288 554 Y C 1.924 177.864 175.900 0.067 0.000 1.146 554 Y CA 1.795 59.929 58.100 0.058 0.000 1.164 554 Y CB -0.280 38.199 38.460 0.031 0.000 0.982 554 Y HN 0.205 nan 8.280 nan 0.000 0.515 555 L N -1.254 119.997 121.223 0.047 0.000 2.275 555 L HA -0.171 4.169 4.340 -0.000 0.000 0.215 555 L C 2.169 179.007 176.870 -0.054 0.000 1.119 555 L CA 1.042 55.849 54.840 -0.054 0.000 0.790 555 L CB -0.589 41.520 42.059 0.083 0.000 0.919 555 L HN 0.264 nan 8.230 nan 0.000 0.443 556 F N 0.616 120.526 119.950 -0.066 0.000 2.206 556 F HA -0.147 4.380 4.527 -0.001 0.000 0.298 556 F C 2.226 177.983 175.800 -0.071 0.000 1.090 556 F CA 1.492 59.470 58.000 -0.036 0.000 1.323 556 F CB 0.081 39.073 39.000 -0.014 0.000 1.028 556 F HN -0.083 nan 8.300 nan 0.000 0.492 557 V N -2.033 117.905 119.914 0.039 0.000 3.306 557 V HA 0.057 4.177 4.120 -0.000 0.000 0.264 557 V C 1.929 177.908 176.094 -0.190 0.000 1.149 557 V CA 0.868 63.145 62.300 -0.039 0.000 1.143 557 V CB -0.548 31.287 31.823 0.020 0.000 0.767 557 V HN 0.165 nan 8.190 nan 0.000 0.476 558 R N 0.052 120.369 120.500 -0.305 0.000 2.237 558 R HA 0.404 4.744 4.340 -0.000 0.000 0.195 558 R C 0.636 176.777 176.300 -0.264 0.000 0.956 558 R CA -0.093 55.812 56.100 -0.325 0.000 1.029 558 R CB -0.284 29.721 30.300 -0.492 0.000 0.972 558 R HN 0.508 nan 8.270 nan 0.000 0.493 559 L N 3.680 124.727 121.223 -0.293 0.000 2.433 559 L HA 0.230 4.570 4.340 -0.000 0.000 0.275 559 L C -2.291 174.411 176.870 -0.279 0.000 1.128 559 L CA -1.555 53.105 54.840 -0.301 0.000 0.875 559 L CB 0.589 42.418 42.059 -0.383 0.000 1.171 559 L HN -0.099 nan 8.230 nan 0.000 0.463 560 P HA 0.225 nan 4.420 nan 0.000 0.270 560 P C -1.164 176.035 177.300 -0.168 0.000 1.223 560 P CA -0.275 62.727 63.100 -0.162 0.000 0.785 560 P CB 0.839 32.467 31.700 -0.120 0.000 0.923 561 S N -0.020 115.608 115.700 -0.121 0.000 2.739 561 S HA 0.901 5.371 4.470 -0.000 0.000 0.306 561 S C -0.461 174.113 174.600 -0.042 0.000 1.115 561 S CA -0.470 57.677 58.200 -0.087 0.000 0.985 561 S CB 1.353 64.515 63.200 -0.063 0.000 1.133 561 S HN 0.605 nan 8.310 nan 0.000 0.541 562 S N -0.555 115.146 115.700 0.002 0.000 2.655 562 S HA 0.556 5.025 4.470 -0.000 0.000 0.266 562 S C -0.315 174.359 174.600 0.123 0.000 1.149 562 S CA -0.712 57.518 58.200 0.050 0.000 0.818 562 S CB 0.346 63.574 63.200 0.048 0.000 1.130 562 S HN 0.643 nan 8.310 nan 0.000 0.476 563 F N 0.822 120.757 119.950 -0.024 0.000 2.231 563 F HA 0.671 5.197 4.527 -0.001 0.000 0.267 563 F C -0.269 175.512 175.800 -0.031 0.000 1.108 563 F CA 0.526 58.505 58.000 -0.034 0.000 1.098 563 F CB -0.346 38.637 39.000 -0.029 0.000 1.088 563 F HN 0.525 nan 8.300 nan 0.000 0.541 564 L N -0.083 121.079 121.223 -0.102 0.000 2.350 564 L HA 0.490 4.830 4.340 -0.000 0.000 0.260 564 L C -2.472 174.474 176.870 0.127 0.000 1.015 564 L CA -2.010 52.742 54.840 -0.147 0.000 0.821 564 L CB 1.091 42.994 42.059 -0.260 0.000 1.370 564 L HN 0.004 nan 8.230 nan 0.000 0.416 565 P HA 0.280 nan 4.420 nan 0.000 0.278 565 P C -1.168 176.272 177.300 0.232 0.000 1.238 565 P CA -0.535 62.697 63.100 0.220 0.000 0.794 565 P CB 0.514 32.363 31.700 0.248 0.000 0.955 566 D N 1.521 122.032 120.400 0.184 0.000 2.371 566 D HA 0.257 4.897 4.640 -0.000 0.000 0.242 566 D C 0.361 176.762 176.300 0.168 0.000 1.218 566 D CA 0.310 54.412 54.000 0.169 0.000 0.945 566 D CB 0.591 41.470 40.800 0.132 0.000 1.137 566 D HN 0.340 nan 8.370 nan 0.000 0.464 567 E N -0.056 120.218 120.200 0.123 0.000 2.433 567 E HA 0.169 4.519 4.350 -0.000 0.000 0.278 567 E C -1.254 175.360 176.600 0.023 0.000 0.976 567 E CA -0.643 55.822 56.400 0.110 0.000 0.793 567 E CB 2.074 31.858 29.700 0.139 0.000 1.311 567 E HN 0.289 nan 8.360 nan 0.000 0.460 568 D N 1.620 122.087 120.400 0.112 0.000 2.396 568 D HA 0.099 4.739 4.640 -0.000 0.000 0.225 568 D C -0.324 176.077 176.300 0.169 0.000 1.121 568 D CA -0.032 54.055 54.000 0.145 0.000 0.853 568 D CB 0.621 41.578 40.800 0.262 0.000 1.043 568 D HN 0.275 nan 8.370 nan 0.000 0.500 569 Q N 2.279 121.977 119.800 -0.171 0.000 2.211 569 Q HA 0.267 4.607 4.340 -0.000 0.000 0.231 569 Q C 1.085 177.161 176.000 0.126 0.000 0.865 569 Q CA -0.296 55.333 55.803 -0.289 0.000 0.997 569 Q CB 0.641 28.933 28.738 -0.743 0.000 1.101 569 Q HN 0.697 nan 8.270 nan 0.000 0.468 570 G N 0.814 109.543 108.800 -0.119 0.000 2.341 570 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.292 570 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.292 570 G C -0.183 174.578 174.900 -0.232 0.000 1.021 570 G CA 0.490 45.290 45.100 -0.500 0.000 0.905 570 G HN 0.326 nan 8.290 nan 0.000 0.508 571 V N -0.533 119.340 119.914 -0.069 0.000 3.174 571 V HA 0.773 4.893 4.120 -0.000 0.000 0.280 571 V C -0.708 175.494 176.094 0.181 0.000 1.554 571 V CA -0.225 62.042 62.300 -0.055 0.000 1.016 571 V CB 2.114 33.779 31.823 -0.262 0.000 1.197 571 V HN 1.565 nan 8.190 nan 0.000 0.453 572 F N 2.296 122.310 119.950 0.107 0.000 2.900 572 F HA 0.858 5.385 4.527 -0.000 0.000 0.321 572 F C -1.488 174.302 175.800 -0.016 0.000 1.160 572 F CA -1.184 56.846 58.000 0.049 0.000 0.890 572 F CB 1.468 40.432 39.000 -0.060 0.000 1.334 572 F HN 0.444 nan 8.300 nan 0.000 0.459 573 M N 0.897 120.469 119.600 -0.046 0.000 2.716 573 M HA 0.697 5.176 4.480 -0.000 0.000 0.307 573 M C -1.231 174.825 176.300 -0.406 0.000 1.223 573 M CA -0.637 54.444 55.300 -0.366 0.000 0.871 573 M CB 2.853 35.232 32.600 -0.369 0.000 1.739 573 M HN 0.708 nan 8.290 nan 0.000 0.475 574 T N 1.742 116.180 114.554 -0.192 0.000 2.841 574 T HA 0.621 4.971 4.350 -0.000 0.000 0.285 574 T C -1.111 173.666 174.700 0.130 0.000 0.991 574 T CA -0.578 61.565 62.100 0.071 0.000 0.966 574 T CB 1.341 70.348 68.868 0.231 0.000 0.962 574 T HN 0.458 nan 8.240 nan 0.000 0.438 575 M N 3.507 123.318 119.600 0.352 0.000 2.268 575 M HA 0.604 5.084 4.480 -0.000 0.000 0.344 575 M C -1.171 175.260 176.300 0.220 0.000 1.106 575 M CA -0.579 54.922 55.300 0.335 0.000 1.010 575 M CB 1.371 34.264 32.600 0.488 0.000 1.649 575 M HN 0.361 nan 8.290 nan 0.000 0.443 576 V N 3.750 123.739 119.914 0.124 0.000 2.487 576 V HA 0.650 4.769 4.120 -0.000 0.000 0.298 576 V C -1.035 175.102 176.094 0.071 0.000 1.028 576 V CA -0.638 61.694 62.300 0.054 0.000 0.860 576 V CB 1.780 33.590 31.823 -0.021 0.000 0.991 576 V HN 0.756 nan 8.190 nan 0.000 0.427 577 Q N 4.279 124.124 119.800 0.076 0.000 2.269 577 Q HA 0.650 4.990 4.340 -0.000 0.000 0.263 577 Q C -1.849 174.181 176.000 0.050 0.000 0.983 577 Q CA -0.283 55.562 55.803 0.072 0.000 0.777 577 Q CB 1.724 30.524 28.738 0.104 0.000 1.273 577 Q HN 0.611 nan 8.270 nan 0.000 0.440 578 L N 5.362 126.604 121.223 0.031 0.000 2.375 578 L HA 0.688 5.028 4.340 -0.000 0.000 0.268 578 L C -1.962 174.924 176.870 0.025 0.000 1.058 578 L CA -1.849 53.003 54.840 0.019 0.000 0.803 578 L CB 0.646 42.709 42.059 0.007 0.000 1.212 578 L HN 0.611 nan 8.230 nan 0.000 0.451 579 P HA -0.016 nan 4.420 nan 0.000 0.270 579 P C -0.960 176.354 177.300 0.024 0.000 1.216 579 P CA -0.225 62.886 63.100 0.018 0.000 0.788 579 P CB 0.313 32.016 31.700 0.005 0.000 0.883 580 A N 1.723 124.560 122.820 0.027 0.000 2.548 580 A HA 0.403 4.722 4.320 -0.000 0.000 0.247 580 A C 1.525 179.132 177.584 0.038 0.000 1.067 580 A CA 0.817 52.879 52.037 0.041 0.000 0.757 580 A CB -1.535 17.494 19.000 0.048 0.000 0.996 580 A HN 0.878 nan 8.150 nan 0.000 0.504 581 G N 1.018 109.848 108.800 0.049 0.000 2.195 581 G HA2 0.139 4.098 3.960 -0.000 0.000 0.246 581 G HA3 0.139 4.098 3.960 -0.000 0.000 0.246 581 G C 0.666 175.586 174.900 0.033 0.000 0.984 581 G CA 0.403 45.532 45.100 0.049 0.000 0.633 581 G HN 2.239 nan 8.290 nan 0.000 0.525 582 A N 0.734 123.569 122.820 0.024 0.000 2.520 582 A HA 0.599 4.919 4.320 -0.000 0.000 0.235 582 A C 1.102 178.698 177.584 0.019 0.000 1.065 582 A CA 1.519 53.565 52.037 0.014 0.000 0.764 582 A CB 0.096 19.102 19.000 0.010 0.000 1.002 582 A HN 1.876 nan 8.150 nan 0.000 0.502 583 T N -0.453 114.109 114.554 0.012 0.000 2.881 583 T HA 0.302 4.652 4.350 -0.000 0.000 0.278 583 T C 1.040 175.747 174.700 0.011 0.000 0.982 583 T CA 0.228 62.337 62.100 0.014 0.000 0.989 583 T CB 1.019 69.891 68.868 0.007 0.000 1.058 583 T HN 0.730 nan 8.240 nan 0.000 0.529 584 Q N 0.048 119.858 119.800 0.016 0.000 2.112 584 Q HA -0.248 4.092 4.340 -0.000 0.000 0.206 584 Q C 2.111 178.113 176.000 0.003 0.000 0.987 584 Q CA 2.240 58.053 55.803 0.016 0.000 0.858 584 Q CB -0.248 28.505 28.738 0.025 0.000 0.905 584 Q HN 0.934 nan 8.270 nan 0.000 0.420 585 E N -0.180 120.019 120.200 -0.003 0.000 2.118 585 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 585 E C 2.050 178.641 176.600 -0.015 0.000 0.992 585 E CA 1.048 57.442 56.400 -0.011 0.000 0.804 585 E CB 0.080 29.770 29.700 -0.016 0.000 0.741 585 E HN 0.303 nan 8.360 nan 0.000 0.458 586 R N -0.427 120.065 120.500 -0.013 0.000 2.073 586 R HA -0.067 4.273 4.340 -0.000 0.000 0.229 586 R C 2.609 178.896 176.300 -0.021 0.000 1.120 586 R CA 1.591 57.680 56.100 -0.018 0.000 0.967 586 R CB -0.687 29.604 30.300 -0.014 0.000 0.862 586 R HN 0.216 nan 8.270 nan 0.000 0.436 587 T N 0.351 114.896 114.554 -0.015 0.000 2.962 587 T HA -0.167 4.182 4.350 -0.000 0.000 0.270 587 T C 1.799 176.481 174.700 -0.029 0.000 1.088 587 T CA 1.301 63.389 62.100 -0.019 0.000 1.127 587 T CB 0.063 68.928 68.868 -0.005 0.000 0.883 587 T HN 0.070 nan 8.240 nan 0.000 0.493 588 Q N 1.197 120.982 119.800 -0.025 0.000 2.123 588 Q HA 0.059 4.399 4.340 -0.000 0.000 0.199 588 Q C 2.170 178.148 176.000 -0.037 0.000 0.966 588 Q CA 1.699 57.483 55.803 -0.030 0.000 0.845 588 Q CB -0.343 28.381 28.738 -0.024 0.000 0.907 588 Q HN 0.621 nan 8.270 nan 0.000 0.439 589 K N -0.912 119.467 120.400 -0.036 0.000 2.057 589 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 589 K C 1.767 178.335 176.600 -0.054 0.000 1.049 589 K CA 1.466 57.729 56.287 -0.041 0.000 0.931 589 K CB -0.055 32.422 32.500 -0.039 0.000 0.714 589 K HN 0.139 nan 8.250 nan 0.000 0.440 590 V N 1.698 121.574 119.914 -0.063 0.000 2.358 590 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 590 V C 2.307 178.330 176.094 -0.118 0.000 1.047 590 V CA 1.500 63.743 62.300 -0.095 0.000 1.035 590 V CB -0.332 31.433 31.823 -0.097 0.000 0.658 590 V HN 0.344 nan 8.190 nan 0.000 0.452 591 L N 0.218 121.387 121.223 -0.090 0.000 2.131 591 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 591 L C 2.451 179.288 176.870 -0.054 0.000 1.092 591 L CA 1.320 56.110 54.840 -0.084 0.000 0.759 591 L CB -0.647 41.373 42.059 -0.065 0.000 0.903 591 L HN 0.415 nan 8.230 nan 0.000 0.435 592 N N 0.031 118.709 118.700 -0.037 0.000 2.142 592 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 592 N C 1.709 177.243 175.510 0.040 0.000 1.023 592 N CA 1.172 54.224 53.050 0.002 0.000 0.852 592 N CB -0.138 38.345 38.487 -0.007 0.000 0.998 592 N HN 0.387 nan 8.380 nan 0.000 0.424 593 E N 0.240 120.433 120.200 -0.011 0.000 2.110 593 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 593 E C 1.876 178.520 176.600 0.074 0.000 0.988 593 E CA 0.663 57.072 56.400 0.014 0.000 0.804 593 E CB 0.103 29.777 29.700 -0.042 0.000 0.745 593 E HN 0.089 nan 8.360 nan 0.000 0.458 594 V N 0.973 120.829 119.914 -0.096 0.000 2.323 594 V HA -0.211 3.909 4.120 -0.000 0.000 0.244 594 V C 2.303 178.473 176.094 0.127 0.000 1.041 594 V CA 2.052 64.218 62.300 -0.224 0.000 1.025 594 V CB -0.553 30.993 31.823 -0.461 0.000 0.656 594 V HN 0.308 nan 8.190 nan 0.000 0.451 595 T N -1.021 113.620 114.554 0.145 0.000 2.746 595 T HA -0.232 4.117 4.350 -0.000 0.000 0.267 595 T C 1.876 176.692 174.700 0.193 0.000 1.039 595 T CA 1.690 63.912 62.100 0.203 0.000 1.142 595 T CB -0.447 68.468 68.868 0.078 0.000 0.866 595 T HN 0.565 nan 8.240 nan 0.000 0.444 596 H N 0.149 119.271 119.070 0.088 0.000 2.290 596 H HA -0.166 4.390 4.556 -0.000 0.000 0.298 596 H C 2.230 177.612 175.328 0.091 0.000 1.087 596 H CA 2.101 58.191 56.048 0.070 0.000 1.291 596 H CB -0.612 29.184 29.762 0.056 0.000 1.369 596 H HN 0.460 nan 8.280 nan 0.000 0.492 597 Y N 0.975 121.384 120.300 0.182 0.000 2.053 597 Y HA -0.353 4.197 4.550 -0.000 0.000 0.277 597 Y C 2.372 178.257 175.900 -0.026 0.000 1.159 597 Y CA 2.406 60.541 58.100 0.058 0.000 1.125 597 Y CB -1.061 37.415 38.460 0.026 0.000 0.969 597 Y HN 0.152 nan 8.280 nan 0.000 0.492 598 Y N -0.026 120.347 120.300 0.122 0.000 2.207 598 Y HA -0.228 4.321 4.550 -0.000 0.000 0.287 598 Y C 2.373 178.192 175.900 -0.135 0.000 1.156 598 Y CA 1.561 59.652 58.100 -0.015 0.000 1.182 598 Y CB -0.804 37.736 38.460 0.132 0.000 0.979 598 Y HN 0.177 nan 8.280 nan 0.000 0.521 599 L N -0.690 120.539 121.223 0.010 0.000 2.492 599 L HA -0.054 4.285 4.340 -0.000 0.000 0.223 599 L C 1.970 178.727 176.870 -0.188 0.000 1.132 599 L CA 1.369 56.152 54.840 -0.095 0.000 0.850 599 L CB -0.581 41.414 42.059 -0.106 0.000 0.966 599 L HN 0.393 nan 8.230 nan 0.000 0.454 600 T N -4.478 109.907 114.554 -0.282 0.000 3.286 600 T HA 0.041 4.391 4.350 -0.000 0.000 0.237 600 T C 1.767 176.324 174.700 -0.240 0.000 0.969 600 T CA -0.289 61.642 62.100 -0.280 0.000 1.298 600 T CB -0.062 68.565 68.868 -0.401 0.000 1.053 600 T HN -0.051 nan 8.240 nan 0.000 0.402 601 K N 1.214 121.409 120.400 -0.342 0.000 2.147 601 K HA 0.027 4.347 4.320 -0.000 0.000 0.205 601 K C 1.451 177.847 176.600 -0.340 0.000 1.049 601 K CA 1.048 57.107 56.287 -0.379 0.000 0.936 601 K CB -0.002 32.110 32.500 -0.647 0.000 0.722 601 K HN 0.402 nan 8.250 nan 0.000 0.446 602 E N 0.687 120.681 120.200 -0.343 0.000 2.558 602 E HA -0.006 4.344 4.350 -0.000 0.000 0.205 602 E C 1.196 177.753 176.600 -0.072 0.000 1.006 602 E CA 0.032 56.344 56.400 -0.147 0.000 0.961 602 E CB 0.569 30.257 29.700 -0.020 0.000 1.044 602 E HN 0.370 nan 8.360 nan 0.000 0.465 603 K N 0.283 120.623 120.400 -0.099 0.000 2.218 603 K HA -0.154 4.165 4.320 -0.000 0.000 0.205 603 K C 1.208 177.780 176.600 -0.047 0.000 1.046 603 K CA 1.498 57.742 56.287 -0.071 0.000 0.933 603 K CB -0.249 32.201 32.500 -0.083 0.000 0.728 603 K HN 0.044 nan 8.250 nan 0.000 0.454 604 N N 0.217 118.892 118.700 -0.042 0.000 2.409 604 N HA -0.012 4.727 4.740 -0.000 0.000 0.179 604 N C 1.045 176.545 175.510 -0.016 0.000 1.032 604 N CA 0.517 53.552 53.050 -0.025 0.000 0.898 604 N CB 0.082 38.557 38.487 -0.021 0.000 0.971 604 N HN 0.327 nan 8.380 nan 0.000 0.441 605 N N -0.108 118.586 118.700 -0.010 0.000 2.348 605 N HA 0.072 4.812 4.740 -0.000 0.000 0.183 605 N C -0.354 175.151 175.510 -0.009 0.000 1.094 605 N CA 0.246 53.296 53.050 -0.001 0.000 0.885 605 N CB 1.072 39.577 38.487 0.030 0.000 1.065 605 N HN -0.095 nan 8.380 nan 0.000 0.472 606 V N 1.691 121.601 119.914 -0.007 0.000 2.427 606 V HA 0.154 4.274 4.120 -0.000 0.000 0.286 606 V C 1.184 177.246 176.094 -0.053 0.000 1.034 606 V CA -0.233 62.047 62.300 -0.033 0.000 0.893 606 V CB 2.306 34.124 31.823 -0.008 0.000 0.982 606 V HN 0.031 nan 8.190 nan 0.000 0.452 607 E N 3.277 123.437 120.200 -0.067 0.000 2.094 607 E HA 0.106 4.456 4.350 -0.000 0.000 0.193 607 E C 0.717 177.269 176.600 -0.080 0.000 0.950 607 E CA 0.936 57.306 56.400 -0.051 0.000 0.842 607 E CB 0.444 30.131 29.700 -0.022 0.000 0.816 607 E HN 0.813 nan 8.360 nan 0.000 0.465 608 S N -1.110 114.540 115.700 -0.085 0.000 2.595 608 S HA 0.735 5.205 4.470 -0.000 0.000 0.281 608 S C -1.050 173.467 174.600 -0.137 0.000 1.117 608 S CA -0.943 57.160 58.200 -0.162 0.000 0.873 608 S CB 2.161 65.349 63.200 -0.020 0.000 1.108 608 S HN -0.030 nan 8.310 nan 0.000 0.477 609 V N 2.095 121.897 119.914 -0.186 0.000 2.488 609 V HA 0.466 4.586 4.120 -0.000 0.000 0.293 609 V C -1.661 174.449 176.094 0.027 0.000 1.027 609 V CA -0.470 61.781 62.300 -0.081 0.000 0.862 609 V CB 1.260 33.039 31.823 -0.075 0.000 1.008 609 V HN 0.903 nan 8.190 nan 0.000 0.428 610 F N 5.161 125.126 119.950 0.024 0.000 2.313 610 F HA 0.763 5.290 4.527 -0.000 0.000 0.369 610 F C 0.499 176.316 175.800 0.028 0.000 1.109 610 F CA -0.471 57.574 58.000 0.074 0.000 1.132 610 F CB 0.823 39.864 39.000 0.068 0.000 1.291 610 F HN 0.548 nan 8.300 nan 0.000 0.496 611 A N 5.583 128.252 122.820 -0.251 0.000 2.292 611 A HA 0.707 5.026 4.320 -0.000 0.000 0.319 611 A C -1.277 176.124 177.584 -0.305 0.000 1.206 611 A CA -0.589 51.334 52.037 -0.191 0.000 0.835 611 A CB 0.887 19.807 19.000 -0.133 0.000 1.164 611 A HN 0.501 nan 8.150 nan 0.000 0.505 612 V N 4.147 123.949 119.914 -0.186 0.000 2.350 612 V HA 0.226 4.346 4.120 -0.000 0.000 0.285 612 V C -0.028 176.044 176.094 -0.037 0.000 1.014 612 V CA -0.954 61.245 62.300 -0.168 0.000 0.831 612 V CB 1.188 32.881 31.823 -0.217 0.000 1.000 612 V HN 0.905 nan 8.190 nan 0.000 0.433 613 N N 3.455 122.137 118.700 -0.030 0.000 2.458 613 N HA 0.381 5.121 4.740 -0.000 0.000 0.270 613 N C 1.043 176.596 175.510 0.072 0.000 1.102 613 N CA 1.358 54.416 53.050 0.013 0.000 0.967 613 N CB 1.537 40.023 38.487 -0.003 0.000 1.078 613 N HN 1.027 nan 8.380 nan 0.000 0.471 614 G N 2.200 111.051 108.800 0.085 0.000 2.157 614 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.239 614 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.239 614 G C -0.363 174.639 174.900 0.170 0.000 0.982 614 G CA 0.174 45.340 45.100 0.110 0.000 0.650 614 G HN 0.587 nan 8.290 nan 0.000 0.527 615 F N 0.411 120.375 119.950 0.022 0.000 2.581 615 F HA 0.704 5.231 4.527 -0.000 0.000 0.311 615 F C 0.308 176.077 175.800 -0.052 0.000 1.113 615 F CA 0.396 58.411 58.000 0.024 0.000 0.935 615 F CB 1.655 40.724 39.000 0.116 0.000 1.232 615 F HN 0.636 nan 8.300 nan 0.000 0.445 616 G N 3.025 111.562 108.800 -0.439 0.000 2.578 616 G HA2 0.334 4.294 3.960 -0.000 0.000 0.302 616 G HA3 0.334 4.294 3.960 -0.000 0.000 0.302 616 G C -1.649 172.877 174.900 -0.623 0.000 1.243 616 G CA -0.592 44.358 45.100 -0.250 0.000 0.843 616 G HN 0.360 nan 8.290 nan 0.000 0.486 617 F N 1.276 121.247 119.950 0.035 0.000 2.855 617 F HA 0.576 5.103 4.527 -0.001 0.000 0.317 617 F C 1.414 177.214 175.800 -0.000 0.000 1.169 617 F CA 0.252 58.266 58.000 0.023 0.000 1.299 617 F CB 1.389 40.454 39.000 0.108 0.000 0.962 617 F HN 0.517 nan 8.300 nan 0.000 0.506 618 A N -0.349 122.500 122.820 0.048 0.000 2.508 618 A HA 0.632 4.952 4.320 -0.000 0.000 0.250 618 A C 1.058 178.637 177.584 -0.008 0.000 1.208 618 A CA 0.238 52.302 52.037 0.045 0.000 0.960 618 A CB -0.261 18.769 19.000 0.050 0.000 1.099 618 A HN 0.539 nan 8.150 nan 0.000 0.542 619 G N 0.318 109.063 108.800 -0.092 0.000 2.712 619 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.686 619 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.686 619 G C -0.400 174.421 174.900 -0.132 0.000 1.181 619 G CA -0.743 44.288 45.100 -0.116 0.000 0.762 619 G HN 0.530 nan 8.290 nan 0.000 0.641 620 R N 0.073 120.492 120.500 -0.135 0.000 2.950 620 R HA 0.455 4.795 4.340 -0.000 0.000 0.277 620 R C 0.900 177.193 176.300 -0.012 0.000 0.984 620 R CA 1.013 57.073 56.100 -0.065 0.000 1.163 620 R CB -0.408 29.890 30.300 -0.003 0.000 1.094 620 R HN 2.471 nan 8.270 nan 0.000 0.482 621 G N -0.493 108.320 108.800 0.021 0.000 2.312 621 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.322 621 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.322 621 G C 0.058 174.983 174.900 0.041 0.000 1.645 621 G CA -0.720 44.401 45.100 0.034 0.000 0.919 621 G HN 0.472 nan 8.290 nan 0.000 0.699 622 Q N 0.037 119.866 119.800 0.048 0.000 2.449 622 Q HA -0.159 4.181 4.340 -0.000 0.000 0.214 622 Q C 1.616 177.637 176.000 0.034 0.000 0.986 622 Q CA 1.489 57.319 55.803 0.044 0.000 0.893 622 Q CB 0.034 28.799 28.738 0.044 0.000 0.940 622 Q HN 0.632 nan 8.270 nan 0.000 0.477 623 N N -0.802 117.918 118.700 0.033 0.000 2.328 623 N HA 0.038 4.778 4.740 -0.000 0.000 0.247 623 N C -0.861 174.665 175.510 0.026 0.000 1.165 623 N CA -0.086 52.980 53.050 0.027 0.000 0.873 623 N CB 0.750 39.254 38.487 0.029 0.000 1.125 623 N HN -0.218 nan 8.380 nan 0.000 0.513 624 T N -0.842 113.727 114.554 0.026 0.000 2.900 624 T HA 0.837 5.186 4.350 -0.000 0.000 0.295 624 T C -0.204 174.515 174.700 0.032 0.000 1.044 624 T CA -0.612 61.503 62.100 0.024 0.000 0.995 624 T CB 2.019 70.889 68.868 0.003 0.000 1.072 624 T HN 0.365 nan 8.240 nan 0.000 0.473 625 G N 0.691 109.512 108.800 0.036 0.000 2.649 625 G HA2 0.790 4.750 3.960 -0.000 0.000 0.290 625 G HA3 0.790 4.750 3.960 -0.000 0.000 0.290 625 G C -2.036 172.890 174.900 0.042 0.000 1.426 625 G CA -0.559 44.563 45.100 0.038 0.000 0.794 625 G HN 0.846 nan 8.290 nan 0.000 0.483 626 I N -0.832 119.744 120.570 0.009 0.000 2.908 626 I HA 0.686 4.856 4.170 -0.000 0.000 0.300 626 I C -1.319 174.708 176.117 -0.151 0.000 1.385 626 I CA -1.189 60.075 61.300 -0.061 0.000 1.004 626 I CB 2.207 40.166 38.000 -0.069 0.000 1.309 626 I HN 0.951 nan 8.210 nan 0.000 0.449 627 A N 6.250 128.931 122.820 -0.231 0.000 2.410 627 A HA 0.651 4.971 4.320 -0.000 0.000 0.289 627 A C -1.486 175.899 177.584 -0.332 0.000 1.200 627 A CA -0.287 51.643 52.037 -0.178 0.000 0.751 627 A CB 0.306 19.278 19.000 -0.046 0.000 1.161 627 A HN 0.492 nan 8.150 nan 0.000 0.459 628 F N 2.015 121.864 119.950 -0.169 0.000 2.438 628 F HA 0.435 4.962 4.527 -0.000 0.000 0.356 628 F C 0.382 176.058 175.800 -0.207 0.000 1.099 628 F CA -0.019 57.824 58.000 -0.261 0.000 1.185 628 F CB 1.450 40.236 39.000 -0.356 0.000 1.115 628 F HN 0.274 nan 8.300 nan 0.000 0.526 629 V N 2.501 122.265 119.914 -0.251 0.000 2.448 629 V HA 0.430 4.549 4.120 -0.000 0.000 0.295 629 V C -0.299 175.596 176.094 -0.332 0.000 1.025 629 V CA -0.730 61.249 62.300 -0.534 0.000 0.859 629 V CB 1.607 32.568 31.823 -1.437 0.000 0.988 629 V HN 0.739 nan 8.190 nan 0.000 0.431 630 S N 5.060 120.654 115.700 -0.176 0.000 2.449 630 S HA 0.766 5.236 4.470 -0.000 0.000 0.310 630 S C -0.493 174.020 174.600 -0.145 0.000 1.096 630 S CA -0.557 57.575 58.200 -0.113 0.000 1.095 630 S CB 0.638 63.838 63.200 -0.000 0.000 1.007 630 S HN 0.567 nan 8.310 nan 0.000 0.474 631 L N 3.582 124.706 121.223 -0.164 0.000 2.469 631 L HA 0.547 4.887 4.340 -0.000 0.000 0.253 631 L C 0.638 177.409 176.870 -0.164 0.000 1.143 631 L CA -1.291 53.460 54.840 -0.148 0.000 0.804 631 L CB 0.386 42.354 42.059 -0.153 0.000 1.214 631 L HN 0.473 nan 8.230 nan 0.000 0.476 632 K N 0.344 120.668 120.400 -0.127 0.000 2.149 632 K HA 0.097 4.417 4.320 -0.000 0.000 0.245 632 K C -0.764 175.736 176.600 -0.166 0.000 1.024 632 K CA -0.408 55.820 56.287 -0.098 0.000 0.899 632 K CB 0.317 32.787 32.500 -0.050 0.000 1.038 632 K HN 0.508 nan 8.250 nan 0.000 0.496 633 D N -0.036 120.316 120.400 -0.081 0.000 2.423 633 D HA -0.088 4.552 4.640 -0.000 0.000 0.238 633 D C 0.863 177.183 176.300 0.033 0.000 1.142 633 D CA 0.064 54.051 54.000 -0.022 0.000 0.884 633 D CB 0.443 41.319 40.800 0.126 0.000 1.199 633 D HN 0.357 nan 8.370 nan 0.000 0.438 634 W N 2.674 124.015 121.300 0.068 0.000 2.292 634 W HA -0.320 4.340 4.660 -0.001 0.000 0.304 634 W C 2.090 178.645 176.519 0.059 0.000 1.228 634 W CA 0.894 58.285 57.345 0.076 0.000 1.241 634 W CB -0.850 28.667 29.460 0.096 0.000 1.142 634 W HN 0.583 nan 8.180 nan 0.000 0.520 635 A N 0.461 123.459 122.820 0.296 0.000 1.972 635 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 635 A C 1.341 178.993 177.584 0.115 0.000 1.169 635 A CA 2.115 54.257 52.037 0.175 0.000 0.635 635 A CB -0.856 18.227 19.000 0.139 0.000 0.810 635 A HN 0.203 nan 8.150 nan 0.000 0.446 636 D N -1.151 119.304 120.400 0.092 0.000 2.340 636 D HA 0.093 4.733 4.640 -0.000 0.000 0.220 636 D C 0.594 176.920 176.300 0.043 0.000 1.039 636 D CA 0.306 54.338 54.000 0.053 0.000 0.866 636 D CB 0.154 40.973 40.800 0.031 0.000 0.913 636 D HN 0.333 nan 8.370 nan 0.000 0.523 637 R N 1.366 121.902 120.500 0.061 0.000 2.983 637 R HA 0.224 4.564 4.340 -0.000 0.000 0.300 637 R C -2.562 173.785 176.300 0.078 0.000 1.367 637 R CA -1.317 54.814 56.100 0.051 0.000 1.564 637 R CB 1.001 31.315 30.300 0.023 0.000 1.314 637 R HN 0.099 nan 8.270 nan 0.000 0.622 638 P HA 0.190 nan 4.420 nan 0.000 0.279 638 P C 0.135 177.472 177.300 0.061 0.000 1.239 638 P CA 0.437 63.581 63.100 0.072 0.000 0.789 638 P CB 1.517 33.253 31.700 0.059 0.000 0.933 639 G N 3.535 112.374 108.800 0.065 0.000 2.788 639 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.686 639 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.686 639 G C 0.727 175.663 174.900 0.059 0.000 1.147 639 G CA -0.219 44.913 45.100 0.055 0.000 0.755 639 G HN 0.507 nan 8.290 nan 0.000 0.634 640 E N 1.607 121.840 120.200 0.055 0.000 2.085 640 E HA -0.225 4.124 4.350 -0.000 0.000 0.194 640 E C 2.081 178.708 176.600 0.045 0.000 0.994 640 E CA 1.903 58.337 56.400 0.056 0.000 0.801 640 E CB -0.568 29.161 29.700 0.050 0.000 0.743 640 E HN 1.026 nan 8.360 nan 0.000 0.453 641 E N 1.095 121.317 120.200 0.036 0.000 2.333 641 E HA -0.178 4.172 4.350 -0.000 0.000 0.200 641 E C 0.948 177.565 176.600 0.030 0.000 1.010 641 E CA 1.067 57.484 56.400 0.029 0.000 0.841 641 E CB -0.364 29.351 29.700 0.025 0.000 0.757 641 E HN 0.179 nan 8.360 nan 0.000 0.508 642 N N 0.454 119.176 118.700 0.037 0.000 2.238 642 N HA 0.088 4.827 4.740 -0.000 0.000 0.222 642 N C -0.501 175.033 175.510 0.039 0.000 1.133 642 N CA 0.064 53.136 53.050 0.036 0.000 0.854 642 N CB 0.598 39.106 38.487 0.035 0.000 1.041 642 N HN 0.024 nan 8.380 nan 0.000 0.510 643 K N 0.676 121.102 120.400 0.044 0.000 2.123 643 K HA 0.210 4.530 4.320 -0.000 0.000 0.248 643 K C 1.682 178.292 176.600 0.015 0.000 0.969 643 K CA -0.476 55.841 56.287 0.051 0.000 0.882 643 K CB 1.750 34.300 32.500 0.082 0.000 1.080 643 K HN -0.218 nan 8.250 nan 0.000 0.441 644 V N -1.210 118.707 119.914 0.005 0.000 2.636 644 V HA -0.251 3.869 4.120 -0.000 0.000 0.258 644 V C 1.804 177.829 176.094 -0.114 0.000 1.092 644 V CA 1.582 63.831 62.300 -0.085 0.000 1.110 644 V CB -0.336 31.463 31.823 -0.040 0.000 0.685 644 V HN 0.609 nan 8.190 nan 0.000 0.481 645 E N 1.288 121.471 120.200 -0.029 0.000 2.005 645 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 645 E C 2.412 178.993 176.600 -0.031 0.000 1.010 645 E CA 2.078 58.470 56.400 -0.013 0.000 0.825 645 E CB -0.655 29.060 29.700 0.025 0.000 0.769 645 E HN 0.690 nan 8.360 nan 0.000 0.456 646 A N 1.017 123.828 122.820 -0.014 0.000 1.898 646 A HA -0.132 4.187 4.320 -0.000 0.000 0.216 646 A C 2.390 179.958 177.584 -0.026 0.000 1.181 646 A CA 1.208 53.239 52.037 -0.010 0.000 0.620 646 A CB -0.661 18.344 19.000 0.009 0.000 0.819 646 A HN 0.241 nan 8.150 nan 0.000 0.442 647 I N 0.367 120.914 120.570 -0.040 0.000 2.099 647 I HA -0.286 3.884 4.170 -0.000 0.000 0.239 647 I C 2.933 178.990 176.117 -0.100 0.000 1.066 647 I CA 2.077 63.360 61.300 -0.027 0.000 1.324 647 I CB -0.998 36.995 38.000 -0.011 0.000 1.037 647 I HN 0.547 nan 8.210 nan 0.000 0.401 648 T N -0.877 113.497 114.554 -0.300 0.000 2.803 648 T HA -0.276 4.074 4.350 -0.000 0.000 0.269 648 T C 1.856 176.492 174.700 -0.107 0.000 1.052 648 T CA 1.443 63.357 62.100 -0.310 0.000 1.136 648 T CB -0.466 68.165 68.868 -0.395 0.000 0.864 648 T HN 0.341 nan 8.240 nan 0.000 0.467 649 M N 0.491 120.045 119.600 -0.076 0.000 2.132 649 M HA 0.004 4.484 4.480 -0.000 0.000 0.263 649 M C 2.603 178.858 176.300 -0.076 0.000 1.065 649 M CA 1.404 56.679 55.300 -0.042 0.000 1.122 649 M CB -0.073 32.515 32.600 -0.020 0.000 1.365 649 M HN 0.160 nan 8.290 nan 0.000 0.411 650 R N -0.102 120.354 120.500 -0.073 0.000 2.115 650 R HA -0.003 4.337 4.340 -0.000 0.000 0.226 650 R C 2.255 178.385 176.300 -0.283 0.000 1.100 650 R CA 1.137 57.180 56.100 -0.095 0.000 0.980 650 R CB -0.425 29.880 30.300 0.008 0.000 0.875 650 R HN 0.455 nan 8.270 nan 0.000 0.445 651 A N 0.628 123.248 122.820 -0.333 0.000 1.855 651 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 651 A C 2.185 179.139 177.584 -1.050 0.000 1.191 651 A CA 1.802 53.272 52.037 -0.944 0.000 0.613 651 A CB -0.864 17.909 19.000 -0.379 0.000 0.829 651 A HN 0.200 nan 8.150 nan 0.000 0.442 652 T N -0.725 113.602 114.554 -0.379 0.000 2.720 652 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 652 T C 2.089 176.651 174.700 -0.231 0.000 1.037 652 T CA 1.562 63.565 62.100 -0.161 0.000 1.144 652 T CB -0.262 68.633 68.868 0.046 0.000 0.864 652 T HN 0.519 nan 8.240 nan 0.000 0.444 653 R N 0.719 121.083 120.500 -0.227 0.000 2.096 653 R HA -0.041 4.298 4.340 -0.000 0.000 0.235 653 R C 2.543 178.691 176.300 -0.253 0.000 1.127 653 R CA 1.427 57.420 56.100 -0.179 0.000 0.968 653 R CB -0.402 29.820 30.300 -0.130 0.000 0.861 653 R HN 0.386 nan 8.270 nan 0.000 0.440 654 A N 0.473 123.020 122.820 -0.456 0.000 1.873 654 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 654 A C 1.739 179.098 177.584 -0.375 0.000 1.186 654 A CA 1.024 52.751 52.037 -0.518 0.000 0.616 654 A CB -0.573 17.847 19.000 -0.968 0.000 0.823 654 A HN 0.345 nan 8.150 nan 0.000 0.442 655 F N 1.512 121.244 119.950 -0.363 0.000 2.546 655 F HA -0.066 4.461 4.527 -0.000 0.000 0.298 655 F C 2.679 178.324 175.800 -0.258 0.000 1.120 655 F CA 0.598 58.415 58.000 -0.305 0.000 1.456 655 F CB -0.972 37.840 39.000 -0.313 0.000 1.088 655 F HN 0.358 nan 8.300 nan 0.000 0.572 656 S N -0.641 115.006 115.700 -0.090 0.000 2.442 656 S HA -0.193 4.276 4.470 -0.000 0.000 0.236 656 S C 1.847 176.405 174.600 -0.070 0.000 1.007 656 S CA 0.792 58.928 58.200 -0.108 0.000 0.965 656 S CB -0.302 62.839 63.200 -0.098 0.000 0.773 656 S HN 0.339 nan 8.310 nan 0.000 0.504 657 Q N 1.061 120.827 119.800 -0.058 0.000 2.083 657 Q HA 0.248 4.587 4.340 -0.000 0.000 0.198 657 Q C 0.937 176.916 176.000 -0.035 0.000 0.969 657 Q CA 0.213 55.990 55.803 -0.043 0.000 0.838 657 Q CB -0.587 28.126 28.738 -0.041 0.000 0.900 657 Q HN 0.621 nan 8.270 nan 0.000 0.436 658 I N 2.729 123.283 120.570 -0.026 0.000 3.089 658 I HA -0.218 3.952 4.170 -0.000 0.000 0.321 658 I C 0.923 177.014 176.117 -0.044 0.000 1.222 658 I CA 0.543 61.821 61.300 -0.037 0.000 1.452 658 I CB 0.046 38.010 38.000 -0.059 0.000 1.321 658 I HN -0.030 nan 8.210 nan 0.000 0.539 659 K N 7.071 127.447 120.400 -0.040 0.000 2.349 659 K HA 0.014 4.334 4.320 -0.000 0.000 0.288 659 K C -0.366 176.214 176.600 -0.033 0.000 1.058 659 K CA -0.191 56.076 56.287 -0.034 0.000 0.953 659 K CB 0.309 32.790 32.500 -0.031 0.000 0.997 659 K HN 0.572 nan 8.250 nan 0.000 0.477 660 D N 1.515 121.898 120.400 -0.027 0.000 2.956 660 D HA -0.203 4.436 4.640 -0.000 0.000 0.240 660 D C -1.153 175.135 176.300 -0.021 0.000 1.141 660 D CA 1.217 55.205 54.000 -0.020 0.000 0.820 660 D CB -0.842 39.946 40.800 -0.020 0.000 0.988 660 D HN 0.680 nan 8.370 nan 0.000 0.417 661 A N 0.852 123.659 122.820 -0.022 0.000 2.585 661 A HA 0.546 4.865 4.320 -0.000 0.000 0.299 661 A C -0.595 176.974 177.584 -0.025 0.000 1.047 661 A CA -0.739 51.285 52.037 -0.021 0.000 0.723 661 A CB 1.215 20.187 19.000 -0.047 0.000 1.275 661 A HN 0.117 nan 8.150 nan 0.000 0.408 662 M N 2.529 122.148 119.600 0.031 0.000 2.069 662 M HA 0.423 4.903 4.480 -0.000 0.000 0.349 662 M C -0.994 175.318 176.300 0.020 0.000 1.194 662 M CA -0.374 54.984 55.300 0.096 0.000 1.081 662 M CB 1.053 33.844 32.600 0.317 0.000 1.500 662 M HN 0.410 nan 8.290 nan 0.000 0.438 663 V N 4.962 124.696 119.914 -0.299 0.000 2.444 663 V HA 0.552 4.672 4.120 -0.000 0.000 0.294 663 V C -0.993 174.830 176.094 -0.453 0.000 1.022 663 V CA -0.505 61.654 62.300 -0.234 0.000 0.850 663 V CB 1.590 33.239 31.823 -0.291 0.000 0.992 663 V HN 0.577 nan 8.190 nan 0.000 0.426 664 F N 2.668 122.751 119.950 0.222 0.000 2.547 664 F HA 0.804 5.331 4.527 -0.000 0.000 0.316 664 F C 0.336 176.406 175.800 0.451 0.000 1.121 664 F CA -0.599 57.596 58.000 0.325 0.000 0.911 664 F CB 2.079 41.245 39.000 0.277 0.000 1.179 664 F HN 0.539 nan 8.300 nan 0.000 0.443 665 A N 3.846 126.997 122.820 0.552 0.000 2.317 665 A HA 0.937 5.256 4.320 -0.000 0.000 0.327 665 A C -1.303 176.464 177.584 0.306 0.000 1.178 665 A CA -0.453 51.811 52.037 0.378 0.000 0.817 665 A CB 0.534 19.763 19.000 0.383 0.000 1.189 665 A HN 0.767 nan 8.150 nan 0.000 0.489 666 F N 0.043 120.115 119.950 0.202 0.000 2.703 666 F HA 0.545 5.072 4.527 -0.001 0.000 0.308 666 F C -0.843 175.031 175.800 0.123 0.000 1.126 666 F CA -1.278 56.782 58.000 0.100 0.000 0.959 666 F CB 0.774 39.843 39.000 0.115 0.000 1.297 666 F HN 0.450 nan 8.300 nan 0.000 0.441 667 N N 1.133 119.972 118.700 0.233 0.000 2.381 667 N HA 0.458 5.198 4.740 -0.000 0.000 0.254 667 N C -0.663 175.051 175.510 0.341 0.000 1.264 667 N CA -0.333 52.837 53.050 0.199 0.000 0.942 667 N CB 0.876 39.436 38.487 0.122 0.000 1.190 667 N HN 0.769 nan 8.380 nan 0.000 0.495 668 L N 1.549 122.932 121.223 0.267 0.000 2.456 668 L HA 0.393 4.733 4.340 -0.000 0.000 0.257 668 L C -1.778 175.225 176.870 0.222 0.000 1.162 668 L CA -1.612 53.396 54.840 0.279 0.000 0.808 668 L CB 0.539 42.741 42.059 0.238 0.000 1.136 668 L HN 0.463 nan 8.230 nan 0.000 0.466 669 P HA 0.094 nan 4.420 nan 0.000 0.277 669 P C -0.184 177.261 177.300 0.240 0.000 1.276 669 P CA -0.274 62.943 63.100 0.196 0.000 0.788 669 P CB 0.626 32.423 31.700 0.163 0.000 1.114 670 A N 0.878 123.871 122.820 0.289 0.000 1.930 670 A HA 0.044 4.363 4.320 -0.000 0.000 0.215 670 A C 1.167 179.016 177.584 0.440 0.000 1.176 670 A CA 1.154 53.420 52.037 0.381 0.000 0.632 670 A CB -0.921 18.319 19.000 0.398 0.000 0.819 670 A HN 0.600 nan 8.150 nan 0.000 0.445 671 I N -1.588 119.190 120.570 0.347 0.000 2.595 671 I HA 0.359 4.529 4.170 -0.000 0.000 0.275 671 I C 0.791 177.041 176.117 0.223 0.000 1.092 671 I CA -0.715 60.770 61.300 0.309 0.000 1.145 671 I CB 1.100 39.263 38.000 0.271 0.000 1.276 671 I HN -0.028 nan 8.210 nan 0.000 0.497 672 V N 1.237 121.284 119.914 0.222 0.000 2.764 672 V HA -0.231 3.888 4.120 -0.000 0.000 0.261 672 V C 1.901 178.072 176.094 0.129 0.000 1.108 672 V CA 1.847 64.251 62.300 0.174 0.000 1.129 672 V CB -1.024 30.914 31.823 0.192 0.000 0.701 672 V HN 0.751 nan 8.190 nan 0.000 0.495 673 E N 1.647 121.928 120.200 0.135 0.000 2.110 673 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 673 E C 1.881 178.530 176.600 0.080 0.000 0.988 673 E CA 1.728 58.190 56.400 0.103 0.000 0.804 673 E CB -0.313 29.453 29.700 0.110 0.000 0.745 673 E HN 0.794 nan 8.360 nan 0.000 0.458 674 L N -3.621 117.655 121.223 0.088 0.000 2.808 674 L HA 0.508 4.848 4.340 -0.000 0.000 0.246 674 L C 0.531 177.438 176.870 0.061 0.000 1.153 674 L CA 0.182 55.073 54.840 0.084 0.000 0.956 674 L CB -0.015 42.110 42.059 0.110 0.000 1.270 674 L HN 0.008 nan 8.230 nan 0.000 0.528 675 G N -0.044 108.779 108.800 0.039 0.000 2.720 675 G HA2 0.410 4.370 3.960 -0.000 0.000 0.295 675 G HA3 0.410 4.370 3.960 -0.000 0.000 0.295 675 G C 0.072 174.956 174.900 -0.025 0.000 1.437 675 G CA 0.355 45.455 45.100 0.000 0.000 0.886 675 G HN 0.044 nan 8.290 nan 0.000 0.509 676 T N -2.419 112.074 114.554 -0.102 0.000 3.054 676 T HA 0.629 4.979 4.350 -0.000 0.000 0.255 676 T C 0.608 175.333 174.700 0.043 0.000 1.035 676 T CA 0.715 62.758 62.100 -0.096 0.000 0.941 676 T CB 0.455 69.099 68.868 -0.373 0.000 1.026 676 T HN 1.724 nan 8.240 nan 0.000 0.533 677 A N 1.356 124.147 122.820 -0.048 0.000 2.589 677 A HA 0.671 4.990 4.320 -0.000 0.000 0.296 677 A C 0.171 177.739 177.584 -0.026 0.000 1.062 677 A CA -0.808 51.184 52.037 -0.075 0.000 0.686 677 A CB 0.690 19.225 19.000 -0.774 0.000 1.282 677 A HN 0.359 nan 8.150 nan 0.000 0.404 678 T N -0.089 114.512 114.554 0.080 0.000 2.640 678 T HA 0.593 4.943 4.350 -0.000 0.000 0.316 678 T C 1.103 175.774 174.700 -0.048 0.000 1.036 678 T CA 0.828 62.966 62.100 0.063 0.000 1.009 678 T CB 0.462 69.394 68.868 0.108 0.000 1.017 678 T HN 2.727 nan 8.240 nan 0.000 0.530 679 G N 0.412 109.199 108.800 -0.022 0.000 2.482 679 G HA2 0.130 4.090 3.960 -0.000 0.000 0.214 679 G HA3 0.130 4.090 3.960 -0.000 0.000 0.214 679 G C -0.571 174.320 174.900 -0.016 0.000 1.271 679 G CA -0.385 44.652 45.100 -0.106 0.000 0.944 679 G HN 1.396 nan 8.290 nan 0.000 0.568 680 F N -0.632 119.324 119.950 0.010 0.000 2.541 680 F HA 0.833 5.360 4.527 -0.000 0.000 0.331 680 F C -0.290 175.577 175.800 0.111 0.000 1.057 680 F CA -1.065 56.968 58.000 0.055 0.000 0.975 680 F CB 2.009 41.094 39.000 0.142 0.000 1.246 680 F HN 0.411 nan 8.300 nan 0.000 0.484 681 D N 1.720 122.407 120.400 0.479 0.000 2.389 681 D HA 0.236 4.876 4.640 -0.000 0.000 0.256 681 D C -1.787 174.821 176.300 0.514 0.000 1.239 681 D CA -0.236 53.964 54.000 0.333 0.000 0.925 681 D CB 0.776 41.666 40.800 0.150 0.000 1.145 681 D HN 0.513 nan 8.370 nan 0.000 0.542 682 F N 2.057 122.180 119.950 0.288 0.000 2.397 682 F HA 0.467 4.994 4.527 -0.000 0.000 0.331 682 F C -0.099 175.602 175.800 -0.164 0.000 1.090 682 F CA -0.397 57.602 58.000 -0.001 0.000 1.065 682 F CB 1.225 40.225 39.000 -0.001 0.000 1.184 682 F HN 0.000 nan 8.300 nan 0.000 0.499 683 E N 6.369 126.081 120.200 -0.812 0.000 2.182 683 E HA 0.217 4.566 4.350 -0.000 0.000 0.258 683 E C -1.209 174.974 176.600 -0.695 0.000 0.879 683 E CA -0.559 55.444 56.400 -0.662 0.000 0.754 683 E CB 2.137 31.273 29.700 -0.941 0.000 1.162 683 E HN 0.527 nan 8.360 nan 0.000 0.419 684 L N 5.371 126.469 121.223 -0.208 0.000 2.260 684 L HA 0.455 4.795 4.340 -0.000 0.000 0.289 684 L C -0.458 176.374 176.870 -0.063 0.000 1.057 684 L CA -0.252 54.571 54.840 -0.028 0.000 0.811 684 L CB 0.167 42.333 42.059 0.178 0.000 1.184 684 L HN 0.523 nan 8.230 nan 0.000 0.429 685 I N 3.690 124.216 120.570 -0.074 0.000 2.441 685 I HA 0.175 4.345 4.170 -0.000 0.000 0.295 685 I C -0.235 175.881 176.117 -0.002 0.000 0.994 685 I CA -0.731 60.548 61.300 -0.035 0.000 1.144 685 I CB 2.038 40.006 38.000 -0.054 0.000 1.314 685 I HN 0.479 nan 8.210 nan 0.000 0.445 686 D N 5.494 125.905 120.400 0.018 0.000 2.422 686 D HA 0.127 4.767 4.640 -0.000 0.000 0.227 686 D C 0.125 176.435 176.300 0.016 0.000 1.190 686 D CA -0.045 53.969 54.000 0.022 0.000 0.905 686 D CB 0.761 41.584 40.800 0.038 0.000 1.034 686 D HN 0.448 nan 8.370 nan 0.000 0.507 687 Q N 2.016 121.820 119.800 0.007 0.000 2.222 687 Q HA 0.394 4.734 4.340 -0.000 0.000 0.206 687 Q C 0.064 176.066 176.000 0.004 0.000 0.877 687 Q CA -0.395 55.408 55.803 0.001 0.000 0.958 687 Q CB 0.979 29.710 28.738 -0.012 0.000 1.075 687 Q HN 0.496 nan 8.270 nan 0.000 0.483 688 A N -0.461 122.365 122.820 0.009 0.000 3.827 688 A HA 0.688 5.008 4.320 -0.000 0.000 0.199 688 A C 0.955 178.547 177.584 0.014 0.000 0.867 688 A CA -0.001 52.042 52.037 0.010 0.000 0.776 688 A CB -0.307 18.699 19.000 0.009 0.000 1.446 688 A HN 0.141 nan 8.150 nan 0.000 0.768 689 G N -0.612 108.196 108.800 0.014 0.000 2.813 689 G HA2 0.373 4.333 3.960 -0.000 0.000 0.209 689 G HA3 0.373 4.333 3.960 -0.000 0.000 0.209 689 G C 0.170 175.084 174.900 0.023 0.000 1.150 689 G CA 0.015 45.126 45.100 0.018 0.000 0.785 689 G HN 0.345 nan 8.290 nan 0.000 0.535 690 L N 1.822 123.058 121.223 0.022 0.000 2.678 690 L HA 0.235 4.575 4.340 -0.000 0.000 0.285 690 L C 1.500 178.393 176.870 0.038 0.000 1.233 690 L CA 0.385 55.239 54.840 0.025 0.000 0.920 690 L CB -0.341 41.730 42.059 0.019 0.000 1.176 690 L HN 0.090 nan 8.230 nan 0.000 0.495 691 G N 1.437 110.264 108.800 0.045 0.000 2.494 691 G HA2 0.023 3.982 3.960 -0.000 0.000 0.270 691 G HA3 0.023 3.982 3.960 -0.000 0.000 0.270 691 G C 1.015 175.978 174.900 0.105 0.000 1.423 691 G CA -0.013 45.131 45.100 0.073 0.000 1.055 691 G HN 0.822 nan 8.290 nan 0.000 0.536 692 H N -0.690 118.395 119.070 0.025 0.000 2.357 692 H HA -0.061 4.495 4.556 -0.000 0.000 0.301 692 H C 2.433 177.775 175.328 0.024 0.000 1.082 692 H CA 1.805 57.869 56.048 0.027 0.000 1.342 692 H CB 0.273 30.054 29.762 0.032 0.000 1.389 692 H HN 0.541 nan 8.280 nan 0.000 0.511 693 E N 0.830 121.019 120.200 -0.018 0.000 2.013 693 E HA -0.171 4.179 4.350 -0.000 0.000 0.202 693 E C 2.365 178.911 176.600 -0.090 0.000 1.018 693 E CA 1.413 57.767 56.400 -0.078 0.000 0.834 693 E CB 0.062 29.761 29.700 -0.002 0.000 0.770 693 E HN 0.242 nan 8.360 nan 0.000 0.459 694 K N 0.290 120.668 120.400 -0.036 0.000 2.059 694 K HA -0.196 4.124 4.320 -0.000 0.000 0.212 694 K C 2.317 178.891 176.600 -0.043 0.000 1.050 694 K CA 1.085 57.355 56.287 -0.028 0.000 0.927 694 K CB -0.878 31.620 32.500 -0.004 0.000 0.714 694 K HN 0.254 nan 8.250 nan 0.000 0.447 695 L N 1.031 122.225 121.223 -0.049 0.000 1.989 695 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 695 L C 2.283 179.100 176.870 -0.089 0.000 1.071 695 L CA 1.729 56.542 54.840 -0.045 0.000 0.749 695 L CB -0.652 41.400 42.059 -0.010 0.000 0.890 695 L HN 0.253 nan 8.230 nan 0.000 0.431 696 T N -1.047 113.392 114.554 -0.193 0.000 2.699 696 T HA -0.328 4.022 4.350 -0.000 0.000 0.268 696 T C 1.719 176.358 174.700 -0.102 0.000 1.036 696 T CA 1.753 63.739 62.100 -0.190 0.000 1.147 696 T CB -0.193 68.502 68.868 -0.289 0.000 0.862 696 T HN 0.367 nan 8.240 nan 0.000 0.446 697 Q N 0.280 120.028 119.800 -0.087 0.000 2.020 697 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 697 Q C 2.606 178.581 176.000 -0.041 0.000 0.982 697 Q CA 1.527 57.296 55.803 -0.055 0.000 0.838 697 Q CB -0.330 28.382 28.738 -0.044 0.000 0.899 697 Q HN 0.559 nan 8.270 nan 0.000 0.423 698 A N 0.904 123.704 122.820 -0.034 0.000 1.940 698 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 698 A C 2.043 179.612 177.584 -0.024 0.000 1.176 698 A CA 1.577 53.601 52.037 -0.022 0.000 0.631 698 A CB -0.640 18.355 19.000 -0.008 0.000 0.814 698 A HN 0.343 nan 8.150 nan 0.000 0.446 699 R N -0.228 120.256 120.500 -0.027 0.000 2.070 699 R HA -0.144 4.195 4.340 -0.000 0.000 0.233 699 R C 1.716 177.993 176.300 -0.037 0.000 1.137 699 R CA 1.668 57.754 56.100 -0.024 0.000 0.945 699 R CB -0.383 29.905 30.300 -0.021 0.000 0.845 699 R HN 0.539 nan 8.270 nan 0.000 0.430 700 N N 0.913 119.590 118.700 -0.038 0.000 2.205 700 N HA -0.222 4.518 4.740 -0.000 0.000 0.186 700 N C 1.693 177.182 175.510 -0.034 0.000 1.015 700 N CA 1.162 54.191 53.050 -0.035 0.000 0.862 700 N CB -0.234 38.232 38.487 -0.035 0.000 0.986 700 N HN 0.447 nan 8.380 nan 0.000 0.429 701 Q N 0.359 120.137 119.800 -0.036 0.000 2.230 701 Q HA 0.019 4.359 4.340 -0.000 0.000 0.202 701 Q C 2.032 178.004 176.000 -0.047 0.000 0.963 701 Q CA 0.505 56.288 55.803 -0.035 0.000 0.866 701 Q CB 0.161 28.881 28.738 -0.030 0.000 0.931 701 Q HN 0.351 nan 8.270 nan 0.000 0.452 702 L N -0.132 121.054 121.223 -0.063 0.000 2.084 702 L HA -0.077 4.262 4.340 -0.000 0.000 0.202 702 L C 2.067 178.875 176.870 -0.103 0.000 1.074 702 L CA 0.653 55.431 54.840 -0.104 0.000 0.757 702 L CB -0.116 41.861 42.059 -0.136 0.000 0.918 702 L HN 0.319 nan 8.230 nan 0.000 0.444 703 L N -0.042 121.134 121.223 -0.079 0.000 2.127 703 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 703 L C 2.780 179.633 176.870 -0.029 0.000 1.089 703 L CA 1.133 55.939 54.840 -0.057 0.000 0.757 703 L CB -0.742 41.295 42.059 -0.037 0.000 0.899 703 L HN 0.325 nan 8.230 nan 0.000 0.434 704 A N -0.529 122.276 122.820 -0.025 0.000 1.930 704 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 704 A C 2.242 179.828 177.584 0.002 0.000 1.175 704 A CA 1.240 53.271 52.037 -0.010 0.000 0.627 704 A CB -0.235 18.757 19.000 -0.014 0.000 0.815 704 A HN 0.328 nan 8.150 nan 0.000 0.443 705 E N 0.009 120.205 120.200 -0.006 0.000 2.047 705 E HA -0.098 4.251 4.350 -0.000 0.000 0.191 705 E C 2.357 179.005 176.600 0.079 0.000 0.987 705 E CA 1.179 57.594 56.400 0.026 0.000 0.799 705 E CB -0.637 29.052 29.700 -0.020 0.000 0.752 705 E HN 0.546 nan 8.360 nan 0.000 0.449 706 A N 1.509 124.330 122.820 0.001 0.000 2.024 706 A HA -0.121 4.198 4.320 -0.000 0.000 0.220 706 A C 2.344 179.980 177.584 0.087 0.000 1.164 706 A CA 1.866 53.908 52.037 0.009 0.000 0.643 706 A CB -0.446 18.524 19.000 -0.050 0.000 0.806 706 A HN 0.252 nan 8.150 nan 0.000 0.451 707 A N -0.376 122.482 122.820 0.063 0.000 2.066 707 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 707 A C 1.875 179.486 177.584 0.045 0.000 1.157 707 A CA 1.323 53.392 52.037 0.053 0.000 0.670 707 A CB -0.286 18.731 19.000 0.029 0.000 0.804 707 A HN 0.524 nan 8.150 nan 0.000 0.453 708 K N -0.612 119.823 120.400 0.058 0.000 2.551 708 K HA 0.008 4.328 4.320 -0.000 0.000 0.192 708 K C -0.409 176.037 176.600 -0.256 0.000 1.027 708 K CA 0.460 56.702 56.287 -0.076 0.000 1.059 708 K CB -0.080 32.356 32.500 -0.106 0.000 0.831 708 K HN 0.630 nan 8.250 nan 0.000 0.508 709 H N -0.497 118.566 119.070 -0.012 0.000 2.674 709 H HA 0.101 4.657 4.556 -0.000 0.000 0.235 709 H C -1.941 173.390 175.328 0.004 0.000 1.330 709 H CA -1.563 54.480 56.048 -0.009 0.000 1.052 709 H CB 0.510 30.261 29.762 -0.018 0.000 1.954 709 H HN 0.046 nan 8.280 nan 0.000 0.566 710 P HA -0.184 nan 4.420 nan 0.000 0.226 710 P C 0.773 178.106 177.300 0.055 0.000 1.146 710 P CA 1.176 64.311 63.100 0.058 0.000 0.773 710 P CB 0.512 32.230 31.700 0.029 0.000 0.772 711 D N -1.333 119.100 120.400 0.055 0.000 2.277 711 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 711 D C 1.721 178.057 176.300 0.061 0.000 0.962 711 D CA 0.741 54.769 54.000 0.046 0.000 0.865 711 D CB -0.282 40.537 40.800 0.032 0.000 0.939 711 D HN 0.172 nan 8.370 nan 0.000 0.510 712 M N -0.129 119.525 119.600 0.090 0.000 2.777 712 M HA 0.286 4.766 4.480 -0.000 0.000 0.244 712 M C -0.204 176.146 176.300 0.084 0.000 1.457 712 M CA 0.434 55.779 55.300 0.074 0.000 1.174 712 M CB 0.616 33.253 32.600 0.063 0.000 1.321 712 M HN -0.170 nan 8.290 nan 0.000 0.546 713 L N 0.506 121.791 121.223 0.103 0.000 2.334 713 L HA 0.642 4.981 4.340 -0.000 0.000 0.273 713 L C -0.735 176.200 176.870 0.108 0.000 1.013 713 L CA -0.668 54.250 54.840 0.130 0.000 0.816 713 L CB 1.741 43.876 42.059 0.126 0.000 1.278 713 L HN 0.008 nan 8.230 nan 0.000 0.431 714 T N -0.671 113.943 114.554 0.100 0.000 2.923 714 T HA 0.256 4.606 4.350 -0.000 0.000 0.311 714 T C 0.041 174.760 174.700 0.031 0.000 1.183 714 T CA -0.508 61.636 62.100 0.073 0.000 1.020 714 T CB 1.745 70.655 68.868 0.070 0.000 1.165 714 T HN 0.645 nan 8.240 nan 0.000 0.482 715 S N 0.318 116.069 115.700 0.085 0.000 3.635 715 S HA -0.130 4.340 4.470 -0.000 0.000 0.328 715 S C 0.376 174.815 174.600 -0.267 0.000 1.135 715 S CA 0.248 58.474 58.200 0.043 0.000 0.942 715 S CB -1.493 61.734 63.200 0.046 0.000 0.930 715 S HN 0.685 nan 8.310 nan 0.000 0.512 716 V N 2.012 121.848 119.914 -0.129 0.000 2.521 716 V HA 0.485 4.605 4.120 -0.000 0.000 0.286 716 V C 0.615 176.576 176.094 -0.222 0.000 1.034 716 V CA 0.274 62.477 62.300 -0.161 0.000 1.045 716 V CB 0.534 32.347 31.823 -0.017 0.000 0.974 716 V HN 0.607 nan 8.190 nan 0.000 0.480 717 R N 4.302 124.625 120.500 -0.294 0.000 2.629 717 R HA 0.609 4.949 4.340 -0.000 0.000 0.266 717 R C -3.325 172.882 176.300 -0.156 0.000 1.051 717 R CA -1.878 54.076 56.100 -0.244 0.000 0.895 717 R CB 0.683 30.698 30.300 -0.475 0.000 1.246 717 R HN 0.310 nan 8.270 nan 0.000 0.459 718 P HA 0.156 nan 4.420 nan 0.000 0.275 718 P C -0.828 176.457 177.300 -0.026 0.000 1.227 718 P CA -0.571 62.513 63.100 -0.026 0.000 0.781 718 P CB 0.606 32.309 31.700 0.005 0.000 0.906 719 N N 1.627 120.321 118.700 -0.010 0.000 3.301 719 N HA 0.456 5.196 4.740 -0.000 0.000 0.289 719 N C -0.602 174.931 175.510 0.039 0.000 1.343 719 N CA -0.205 52.848 53.050 0.005 0.000 1.136 719 N CB -0.369 38.116 38.487 -0.004 0.000 1.402 719 N HN 0.542 nan 8.380 nan 0.000 0.516 720 G N 0.093 108.920 108.800 0.045 0.000 2.523 720 G HA2 0.339 4.299 3.960 -0.000 0.000 0.291 720 G HA3 0.339 4.299 3.960 -0.000 0.000 0.291 720 G C -1.238 173.699 174.900 0.062 0.000 1.450 720 G CA -0.808 44.328 45.100 0.060 0.000 0.790 720 G HN 0.208 nan 8.290 nan 0.000 0.496 721 L N -0.301 120.963 121.223 0.069 0.000 2.454 721 L HA 0.685 5.025 4.340 -0.000 0.000 0.256 721 L C 0.372 177.289 176.870 0.079 0.000 1.136 721 L CA -0.834 54.047 54.840 0.068 0.000 0.804 721 L CB 1.188 43.286 42.059 0.064 0.000 1.181 721 L HN 0.470 nan 8.230 nan 0.000 0.469 722 E N -0.198 120.044 120.200 0.071 0.000 2.227 722 E HA 0.200 4.550 4.350 -0.000 0.000 0.268 722 E C -1.242 175.411 176.600 0.088 0.000 0.990 722 E CA -0.606 55.835 56.400 0.069 0.000 0.856 722 E CB 1.006 30.731 29.700 0.041 0.000 1.159 722 E HN 0.292 nan 8.360 nan 0.000 0.401 723 D N 0.966 121.427 120.400 0.101 0.000 2.525 723 D HA 0.070 4.710 4.640 -0.000 0.000 0.235 723 D C -0.317 176.045 176.300 0.104 0.000 1.137 723 D CA 0.610 54.685 54.000 0.125 0.000 0.868 723 D CB 0.419 41.292 40.800 0.122 0.000 1.180 723 D HN 0.387 nan 8.370 nan 0.000 0.465 724 T N -0.545 114.094 114.554 0.142 0.000 2.940 724 T HA 0.707 5.056 4.350 -0.000 0.000 0.288 724 T C -2.748 172.112 174.700 0.266 0.000 1.033 724 T CA -2.267 59.928 62.100 0.159 0.000 1.033 724 T CB 1.996 70.945 68.868 0.136 0.000 1.079 724 T HN -0.073 nan 8.240 nan 0.000 0.496 725 P HA 0.401 nan 4.420 nan 0.000 0.282 725 P C -0.949 176.607 177.300 0.426 0.000 1.249 725 P CA -0.560 62.805 63.100 0.442 0.000 0.806 725 P CB 0.554 32.436 31.700 0.303 0.000 0.984 726 Q N 1.223 121.263 119.800 0.400 0.000 2.375 726 Q HA 0.492 4.831 4.340 -0.000 0.000 0.271 726 Q C -1.274 174.795 176.000 0.116 0.000 1.074 726 Q CA -0.683 55.276 55.803 0.260 0.000 0.808 726 Q CB 2.006 30.801 28.738 0.094 0.000 1.327 726 Q HN 0.341 nan 8.270 nan 0.000 0.441 727 F N 2.393 122.159 119.950 -0.306 0.000 2.411 727 F HA 0.397 4.923 4.527 -0.000 0.000 0.350 727 F C -0.383 175.136 175.800 -0.469 0.000 1.114 727 F CA -0.549 56.971 58.000 -0.800 0.000 1.135 727 F CB 0.784 39.266 39.000 -0.863 0.000 1.120 727 F HN 0.256 nan 8.300 nan 0.000 0.495 728 K N 7.183 126.982 120.400 -1.002 0.000 2.307 728 K HA 0.547 4.866 4.320 -0.000 0.000 0.263 728 K C -1.397 174.744 176.600 -0.766 0.000 0.973 728 K CA -0.294 55.593 56.287 -0.666 0.000 0.846 728 K CB 0.616 32.855 32.500 -0.434 0.000 1.100 728 K HN 0.651 nan 8.250 nan 0.000 0.438 729 I N 2.932 123.208 120.570 -0.490 0.000 2.437 729 I HA 0.304 4.473 4.170 -0.000 0.000 0.298 729 I C -0.509 175.495 176.117 -0.188 0.000 0.984 729 I CA -0.787 60.308 61.300 -0.341 0.000 1.214 729 I CB 1.730 39.616 38.000 -0.190 0.000 1.365 729 I HN 0.517 nan 8.210 nan 0.000 0.469 730 D N 7.164 127.486 120.400 -0.130 0.000 2.446 730 D HA 0.395 5.034 4.640 -0.000 0.000 0.251 730 D C -0.258 176.040 176.300 -0.002 0.000 1.137 730 D CA -0.155 53.801 54.000 -0.073 0.000 0.890 730 D CB 1.673 42.422 40.800 -0.086 0.000 1.071 730 D HN 0.276 nan 8.370 nan 0.000 0.528 731 I N 1.725 122.304 120.570 0.016 0.000 2.322 731 I HA 0.002 4.172 4.170 -0.000 0.000 0.292 731 I C 0.786 176.901 176.117 -0.004 0.000 1.060 731 I CA -0.280 61.048 61.300 0.047 0.000 1.309 731 I CB 0.714 38.718 38.000 0.006 0.000 1.415 731 I HN 0.102 nan 8.210 nan 0.000 0.492 732 D N 7.190 127.607 120.400 0.028 0.000 2.348 732 D HA 0.002 4.642 4.640 -0.000 0.000 0.259 732 D C 0.941 177.208 176.300 -0.055 0.000 1.296 732 D CA 0.221 54.219 54.000 -0.002 0.000 0.931 732 D CB 0.891 41.710 40.800 0.032 0.000 1.067 732 D HN 0.557 nan 8.370 nan 0.000 0.503 733 Q N 2.273 122.028 119.800 -0.075 0.000 2.291 733 Q HA -0.140 4.200 4.340 -0.000 0.000 0.206 733 Q C 1.265 177.213 176.000 -0.087 0.000 0.976 733 Q CA 0.997 56.736 55.803 -0.105 0.000 0.875 733 Q CB 0.430 29.117 28.738 -0.084 0.000 0.927 733 Q HN 0.639 nan 8.270 nan 0.000 0.450 734 E N 0.670 120.838 120.200 -0.053 0.000 2.051 734 E HA -0.101 4.248 4.350 -0.000 0.000 0.189 734 E C 1.886 178.466 176.600 -0.033 0.000 0.979 734 E CA 0.568 56.945 56.400 -0.039 0.000 0.803 734 E CB 0.086 29.772 29.700 -0.023 0.000 0.761 734 E HN 0.207 nan 8.360 nan 0.000 0.451 735 K N 0.875 121.266 120.400 -0.015 0.000 2.063 735 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 735 K C 2.242 178.839 176.600 -0.004 0.000 1.048 735 K CA 1.109 57.405 56.287 0.015 0.000 0.928 735 K CB -0.193 32.344 32.500 0.061 0.000 0.713 735 K HN 0.040 nan 8.250 nan 0.000 0.442 736 A N 1.418 124.184 122.820 -0.091 0.000 1.940 736 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 736 A C 2.126 179.621 177.584 -0.147 0.000 1.176 736 A CA 1.526 53.417 52.037 -0.243 0.000 0.631 736 A CB -0.467 18.257 19.000 -0.460 0.000 0.814 736 A HN 0.364 nan 8.150 nan 0.000 0.446 737 Q N -0.859 118.881 119.800 -0.101 0.000 2.083 737 Q HA -0.050 4.289 4.340 -0.000 0.000 0.198 737 Q C 2.255 178.234 176.000 -0.035 0.000 0.969 737 Q CA 1.157 56.920 55.803 -0.067 0.000 0.838 737 Q CB -0.290 28.415 28.738 -0.055 0.000 0.900 737 Q HN 0.612 nan 8.270 nan 0.000 0.436 738 A N 0.409 123.217 122.820 -0.021 0.000 1.978 738 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 738 A C 1.635 179.224 177.584 0.008 0.000 1.170 738 A CA 1.150 53.186 52.037 -0.002 0.000 0.636 738 A CB -0.275 18.729 19.000 0.006 0.000 0.810 738 A HN 0.372 nan 8.150 nan 0.000 0.448 739 L N -0.910 120.321 121.223 0.014 0.000 2.592 739 L HA 0.303 4.642 4.340 -0.000 0.000 0.227 739 L C 1.436 178.318 176.870 0.021 0.000 1.127 739 L CA 0.706 55.567 54.840 0.034 0.000 0.884 739 L CB -0.740 41.365 42.059 0.077 0.000 1.065 739 L HN 0.552 nan 8.230 nan 0.000 0.457 740 G N 0.786 109.583 108.800 -0.005 0.000 2.298 740 G HA2 -0.144 3.815 3.960 -0.000 0.000 0.287 740 G HA3 -0.144 3.815 3.960 -0.000 0.000 0.287 740 G C 0.044 174.932 174.900 -0.020 0.000 1.075 740 G CA 0.356 45.450 45.100 -0.011 0.000 0.960 740 G HN 0.431 nan 8.290 nan 0.000 0.502 741 V N -2.507 117.369 119.914 -0.063 0.000 2.531 741 V HA 0.868 4.987 4.120 -0.000 0.000 0.301 741 V C 0.533 176.545 176.094 -0.137 0.000 1.034 741 V CA -0.359 61.886 62.300 -0.092 0.000 0.865 741 V CB 1.675 33.418 31.823 -0.133 0.000 0.995 741 V HN 1.207 nan 8.190 nan 0.000 0.424 742 S N 3.849 119.494 115.700 -0.091 0.000 2.546 742 S HA 0.134 4.603 4.470 -0.000 0.000 0.290 742 S C 1.164 175.682 174.600 -0.136 0.000 1.262 742 S CA 0.185 58.333 58.200 -0.087 0.000 1.083 742 S CB -0.063 63.111 63.200 -0.043 0.000 0.859 742 S HN 1.305 nan 8.310 nan 0.000 0.495 743 I N 4.035 124.518 120.570 -0.146 0.000 2.916 743 I HA -0.009 4.160 4.170 -0.000 0.000 0.267 743 I C 1.309 177.363 176.117 -0.105 0.000 1.263 743 I CA 1.291 62.486 61.300 -0.174 0.000 1.471 743 I CB -0.522 37.390 38.000 -0.147 0.000 1.089 743 I HN 0.502 nan 8.210 nan 0.000 0.468 744 N N 1.334 119.996 118.700 -0.063 0.000 2.250 744 N HA -0.106 4.633 4.740 -0.000 0.000 0.181 744 N C 1.334 176.843 175.510 -0.002 0.000 1.017 744 N CA 1.276 54.312 53.050 -0.024 0.000 0.866 744 N CB -0.276 38.203 38.487 -0.013 0.000 0.985 744 N HN 0.369 nan 8.380 nan 0.000 0.429 745 D N 0.321 120.717 120.400 -0.007 0.000 2.219 745 D HA -0.027 4.613 4.640 -0.000 0.000 0.205 745 D C 1.782 178.118 176.300 0.060 0.000 0.970 745 D CA 0.513 54.533 54.000 0.034 0.000 0.851 745 D CB -0.028 40.792 40.800 0.034 0.000 0.943 745 D HN 0.320 nan 8.370 nan 0.000 0.488 746 I N 0.882 121.443 120.570 -0.015 0.000 2.193 746 I HA -0.217 3.953 4.170 -0.000 0.000 0.240 746 I C 2.049 178.247 176.117 0.136 0.000 1.084 746 I CA 0.681 61.977 61.300 -0.007 0.000 1.365 746 I CB -0.194 37.625 38.000 -0.302 0.000 1.064 746 I HN -0.048 nan 8.210 nan 0.000 0.410 747 N N 0.618 119.355 118.700 0.062 0.000 2.069 747 N HA -0.161 4.579 4.740 -0.000 0.000 0.191 747 N C 1.824 177.396 175.510 0.103 0.000 1.031 747 N CA 2.017 55.118 53.050 0.085 0.000 0.852 747 N CB -0.701 37.809 38.487 0.039 0.000 1.018 747 N HN 0.317 nan 8.380 nan 0.000 0.423 748 T N 0.618 115.225 114.554 0.087 0.000 2.788 748 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 748 T C 1.941 176.702 174.700 0.102 0.000 1.044 748 T CA 1.489 63.640 62.100 0.085 0.000 1.139 748 T CB -0.382 68.530 68.868 0.072 0.000 0.867 748 T HN 0.323 nan 8.240 nan 0.000 0.454 749 T N 2.250 116.897 114.554 0.155 0.000 2.770 749 T HA 0.115 4.465 4.350 -0.000 0.000 0.263 749 T C 1.900 176.645 174.700 0.075 0.000 1.039 749 T CA 0.512 62.717 62.100 0.174 0.000 1.142 749 T CB -0.377 68.698 68.868 0.344 0.000 0.868 749 T HN 0.180 nan 8.240 nan 0.000 0.435 750 L N 0.696 122.037 121.223 0.197 0.000 1.970 750 L HA -0.090 4.249 4.340 -0.000 0.000 0.212 750 L C 2.768 179.663 176.870 0.042 0.000 1.071 750 L CA 2.104 56.982 54.840 0.064 0.000 0.751 750 L CB -1.142 41.031 42.059 0.189 0.000 0.889 750 L HN 0.406 nan 8.230 nan 0.000 0.432 751 G N -0.961 107.879 108.800 0.067 0.000 2.446 751 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.217 751 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.217 751 G C 1.635 176.566 174.900 0.051 0.000 1.168 751 G CA 0.919 46.059 45.100 0.066 0.000 0.771 751 G HN 0.599 nan 8.290 nan 0.000 0.551 752 A N 0.917 123.755 122.820 0.029 0.000 1.933 752 A HA 0.285 4.605 4.320 -0.000 0.000 0.218 752 A C 2.766 180.311 177.584 -0.064 0.000 1.175 752 A CA 2.276 54.325 52.037 0.019 0.000 0.628 752 A CB -0.661 18.359 19.000 0.035 0.000 0.814 752 A HN 0.754 nan 8.150 nan 0.000 0.444 753 A N -1.138 121.546 122.820 -0.228 0.000 1.832 753 A HA -0.041 4.278 4.320 -0.000 0.000 0.214 753 A C 1.907 179.257 177.584 -0.391 0.000 1.204 753 A CA 1.391 53.093 52.037 -0.558 0.000 0.606 753 A CB -0.906 17.227 19.000 -1.446 0.000 0.849 753 A HN 0.693 nan 8.150 nan 0.000 0.445 754 W N -0.761 120.353 121.300 -0.310 0.000 2.576 754 W HA 0.261 4.921 4.660 -0.000 0.000 0.270 754 W C 2.245 178.724 176.519 -0.067 0.000 1.255 754 W CA 0.794 58.042 57.345 -0.163 0.000 1.314 754 W CB -0.244 29.107 29.460 -0.181 0.000 1.101 754 W HN 0.394 nan 8.180 nan 0.000 0.595 755 G N -0.996 107.895 108.800 0.151 0.000 2.939 755 G HA2 0.448 4.408 3.960 -0.000 0.000 0.216 755 G HA3 0.448 4.408 3.960 -0.000 0.000 0.216 755 G C 0.607 175.558 174.900 0.086 0.000 1.125 755 G CA 0.291 45.460 45.100 0.114 0.000 0.766 755 G HN 0.393 nan 8.290 nan 0.000 0.541 756 G N -1.083 107.764 108.800 0.079 0.000 2.699 756 G HA2 0.305 4.264 3.960 -0.000 0.000 0.686 756 G HA3 0.305 4.264 3.960 -0.000 0.000 0.686 756 G C -0.518 174.487 174.900 0.174 0.000 1.301 756 G CA 0.052 45.209 45.100 0.094 0.000 0.816 756 G HN 1.232 nan 8.290 nan 0.000 0.595 757 S N -0.722 115.153 115.700 0.291 0.000 2.652 757 S HA 0.490 4.959 4.470 -0.000 0.000 0.273 757 S C -0.949 173.869 174.600 0.363 0.000 1.172 757 S CA -0.457 57.925 58.200 0.304 0.000 1.009 757 S CB 0.893 64.187 63.200 0.156 0.000 1.094 757 S HN 1.786 nan 8.310 nan 0.000 0.471 758 Y N 6.565 126.933 120.300 0.114 0.000 2.531 758 Y HA 0.395 4.945 4.550 -0.001 0.000 0.347 758 Y C 0.680 176.485 175.900 -0.158 0.000 1.024 758 Y CA -0.139 57.750 58.100 -0.352 0.000 1.306 758 Y CB 0.075 38.350 38.460 -0.307 0.000 1.149 758 Y HN 0.441 nan 8.280 nan 0.000 0.527 759 V N 5.453 125.291 119.914 -0.128 0.000 2.283 759 V HA -0.023 4.096 4.120 -0.000 0.000 0.239 759 V C 0.728 176.627 176.094 -0.324 0.000 1.035 759 V CA 1.747 63.944 62.300 -0.172 0.000 1.018 759 V CB -0.415 31.387 31.823 -0.034 0.000 0.658 759 V HN 0.890 nan 8.190 nan 0.000 0.459 760 N N -1.229 117.356 118.700 -0.191 0.000 3.496 760 N HA 0.147 4.887 4.740 -0.000 0.000 0.331 760 N C -2.021 173.587 175.510 0.162 0.000 1.532 760 N CA -0.532 52.434 53.050 -0.140 0.000 0.863 760 N CB 1.146 39.605 38.487 -0.046 0.000 1.927 760 N HN 0.068 nan 8.380 nan 0.000 0.529 761 D N -0.643 119.862 120.400 0.175 0.000 2.326 761 D HA 0.701 5.341 4.640 -0.000 0.000 0.248 761 D C -0.721 175.767 176.300 0.313 0.000 1.001 761 D CA 0.025 54.167 54.000 0.236 0.000 0.961 761 D CB 1.388 42.267 40.800 0.133 0.000 1.183 761 D HN 0.486 nan 8.370 nan 0.000 0.502 762 F N -1.122 118.912 119.950 0.139 0.000 2.645 762 F HA 0.561 5.088 4.527 -0.000 0.000 0.310 762 F C -1.704 174.165 175.800 0.115 0.000 1.102 762 F CA -1.162 56.942 58.000 0.173 0.000 0.952 762 F CB 0.993 40.211 39.000 0.363 0.000 1.326 762 F HN 0.013 nan 8.300 nan 0.000 0.456 763 I N 2.015 122.522 120.570 -0.104 0.000 2.428 763 I HA 0.363 4.533 4.170 -0.000 0.000 0.296 763 I C -1.116 174.888 176.117 -0.187 0.000 0.985 763 I CA -0.247 60.913 61.300 -0.232 0.000 1.260 763 I CB 1.242 39.221 38.000 -0.035 0.000 1.389 763 I HN 0.676 nan 8.210 nan 0.000 0.484 764 D N 5.344 125.595 120.400 -0.249 0.000 2.505 764 D HA 0.362 5.002 4.640 -0.000 0.000 0.250 764 D C -0.033 176.277 176.300 0.016 0.000 1.164 764 D CA -0.462 53.534 54.000 -0.007 0.000 0.870 764 D CB 0.740 41.520 40.800 -0.032 0.000 1.160 764 D HN 0.464 nan 8.370 nan 0.000 0.549 765 R N 2.996 123.536 120.500 0.068 0.000 3.387 765 R HA -0.212 4.127 4.340 -0.000 0.000 0.254 765 R C 1.079 177.388 176.300 0.015 0.000 1.006 765 R CA 0.911 57.043 56.100 0.053 0.000 0.677 765 R CB -1.600 28.743 30.300 0.072 0.000 1.063 765 R HN 0.877 nan 8.270 nan 0.000 0.453 766 G N -0.492 108.306 108.800 -0.003 0.000 2.241 766 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.244 766 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.244 766 G C 0.092 174.960 174.900 -0.054 0.000 0.998 766 G CA 0.312 45.398 45.100 -0.023 0.000 0.621 766 G HN 0.543 nan 8.290 nan 0.000 0.519 767 R N 0.620 121.071 120.500 -0.081 0.000 2.460 767 R HA 0.626 4.966 4.340 -0.000 0.000 0.303 767 R C 0.141 176.338 176.300 -0.171 0.000 0.968 767 R CA -0.577 55.458 56.100 -0.108 0.000 0.889 767 R CB 1.480 31.719 30.300 -0.102 0.000 1.123 767 R HN 0.096 nan 8.270 nan 0.000 0.455 768 V N 4.806 124.634 119.914 -0.143 0.000 2.599 768 V HA 0.073 4.193 4.120 -0.000 0.000 0.300 768 V C 0.290 176.251 176.094 -0.222 0.000 1.034 768 V CA 0.695 62.893 62.300 -0.170 0.000 1.115 768 V CB 0.544 32.315 31.823 -0.087 0.000 0.934 768 V HN 0.807 nan 8.190 nan 0.000 0.485 769 K N 3.475 123.659 120.400 -0.360 0.000 2.469 769 K HA 0.566 4.886 4.320 -0.000 0.000 0.268 769 K C -0.932 175.577 176.600 -0.151 0.000 1.027 769 K CA -1.144 54.960 56.287 -0.305 0.000 0.893 769 K CB 2.488 34.746 32.500 -0.403 0.000 1.460 769 K HN 0.497 nan 8.250 nan 0.000 0.449 770 K N 0.670 121.056 120.400 -0.025 0.000 2.090 770 K HA 0.440 4.760 4.320 -0.000 0.000 0.250 770 K C -0.700 176.024 176.600 0.207 0.000 1.004 770 K CA -0.734 55.558 56.287 0.009 0.000 0.919 770 K CB 1.238 33.478 32.500 -0.434 0.000 1.045 770 K HN 0.105 nan 8.250 nan 0.000 0.471 771 V N 2.777 122.757 119.914 0.110 0.000 2.407 771 V HA 0.258 4.377 4.120 -0.000 0.000 0.291 771 V C -1.359 174.645 176.094 -0.150 0.000 1.018 771 V CA -0.801 61.489 62.300 -0.017 0.000 0.842 771 V CB 0.399 32.249 31.823 0.044 0.000 0.996 771 V HN 0.564 nan 8.190 nan 0.000 0.426 772 Y N 2.884 123.141 120.300 -0.071 0.000 2.409 772 Y HA 0.683 5.233 4.550 -0.000 0.000 0.339 772 Y C 0.020 175.802 175.900 -0.197 0.000 1.033 772 Y CA -0.760 57.293 58.100 -0.078 0.000 1.094 772 Y CB 2.216 40.613 38.460 -0.104 0.000 1.210 772 Y HN 0.402 nan 8.280 nan 0.000 0.456 773 V N 6.161 126.120 119.914 0.075 0.000 2.487 773 V HA 0.773 4.893 4.120 -0.000 0.000 0.298 773 V C -1.003 175.099 176.094 0.013 0.000 1.028 773 V CA -0.499 61.791 62.300 -0.016 0.000 0.860 773 V CB 1.300 33.138 31.823 0.026 0.000 0.991 773 V HN 0.906 nan 8.190 nan 0.000 0.427 774 M N 5.240 124.826 119.600 -0.024 0.000 2.603 774 M HA 0.504 4.984 4.480 -0.000 0.000 0.275 774 M C -0.702 175.752 176.300 0.256 0.000 1.226 774 M CA -0.259 55.089 55.300 0.080 0.000 0.870 774 M CB 2.264 34.919 32.600 0.093 0.000 1.716 774 M HN 0.695 nan 8.290 nan 0.000 0.482 775 S N 1.424 117.247 115.700 0.205 0.000 2.572 775 S HA 0.143 4.613 4.470 -0.000 0.000 0.279 775 S C -0.312 174.513 174.600 0.376 0.000 1.341 775 S CA -0.227 58.167 58.200 0.324 0.000 1.043 775 S CB 0.555 63.886 63.200 0.218 0.000 0.887 775 S HN 0.759 nan 8.310 nan 0.000 0.516 776 E N 2.810 123.225 120.200 0.358 0.000 2.384 776 E HA 0.294 4.644 4.350 -0.000 0.000 0.266 776 E C 1.391 177.962 176.600 -0.047 0.000 1.012 776 E CA 0.170 56.627 56.400 0.094 0.000 0.901 776 E CB 0.706 30.523 29.700 0.194 0.000 0.967 776 E HN 0.790 nan 8.360 nan 0.000 0.435 777 A N 5.944 128.575 122.820 -0.316 0.000 1.906 777 A HA -0.371 3.949 4.320 -0.000 0.000 0.222 777 A C 1.913 179.345 177.584 -0.254 0.000 1.282 777 A CA 2.809 54.670 52.037 -0.294 0.000 0.675 777 A CB -0.888 17.897 19.000 -0.358 0.000 0.838 777 A HN 0.901 nan 8.150 nan 0.000 0.469 778 K N -1.667 118.538 120.400 -0.326 0.000 2.286 778 K HA -0.196 4.124 4.320 -0.000 0.000 0.203 778 K C 1.277 177.605 176.600 -0.454 0.000 1.045 778 K CA 2.017 58.050 56.287 -0.423 0.000 0.935 778 K CB -0.534 31.619 32.500 -0.577 0.000 0.737 778 K HN 0.616 nan 8.250 nan 0.000 0.460 779 Y N 1.451 121.669 120.300 -0.136 0.000 2.461 779 Y HA 0.171 4.721 4.550 -0.000 0.000 0.277 779 Y C 0.766 176.490 175.900 -0.293 0.000 1.182 779 Y CA -0.333 57.700 58.100 -0.111 0.000 1.276 779 Y CB 0.403 38.838 38.460 -0.041 0.000 1.087 779 Y HN 0.163 nan 8.280 nan 0.000 0.519 780 R N -1.811 118.455 120.500 -0.390 0.000 2.617 780 R HA 0.280 4.620 4.340 -0.000 0.000 0.432 780 R C 0.062 176.161 176.300 -0.334 0.000 1.018 780 R CA -0.014 55.469 56.100 -1.028 0.000 1.077 780 R CB -0.214 29.483 30.300 -1.006 0.000 1.394 780 R HN 0.115 nan 8.270 nan 0.000 0.608 781 M N 0.321 119.863 119.600 -0.096 0.000 2.653 781 M HA 0.357 4.837 4.480 -0.000 0.000 0.259 781 M C 0.257 176.635 176.300 0.129 0.000 1.244 781 M CA 0.550 55.865 55.300 0.026 0.000 1.163 781 M CB 0.220 32.792 32.600 -0.046 0.000 1.309 781 M HN 0.216 nan 8.290 nan 0.000 0.509 782 L N -0.603 120.726 121.223 0.177 0.000 2.354 782 L HA 0.328 4.667 4.340 -0.000 0.000 0.269 782 L C -1.683 175.271 176.870 0.141 0.000 1.005 782 L CA -1.925 52.994 54.840 0.131 0.000 0.819 782 L CB 1.380 43.483 42.059 0.072 0.000 1.311 782 L HN -0.169 nan 8.230 nan 0.000 0.423 783 P HA -0.195 nan 4.420 nan 0.000 0.216 783 P C 0.676 177.941 177.300 -0.059 0.000 1.157 783 P CA 1.344 64.249 63.100 -0.325 0.000 0.880 783 P CB 0.218 31.724 31.700 -0.323 0.000 0.791 784 D N -0.938 119.484 120.400 0.038 0.000 2.263 784 D HA -0.134 4.506 4.640 -0.000 0.000 0.208 784 D C 1.157 177.536 176.300 0.131 0.000 0.971 784 D CA 0.979 55.024 54.000 0.076 0.000 0.867 784 D CB -0.656 40.184 40.800 0.068 0.000 0.929 784 D HN 0.212 nan 8.370 nan 0.000 0.492 785 D N 0.293 120.826 120.400 0.221 0.000 2.350 785 D HA -0.035 4.605 4.640 -0.000 0.000 0.216 785 D C 2.087 178.712 176.300 0.542 0.000 0.968 785 D CA 0.038 54.248 54.000 0.350 0.000 0.894 785 D CB -0.056 40.981 40.800 0.395 0.000 0.909 785 D HN 0.328 nan 8.370 nan 0.000 0.520 786 I N 0.471 121.267 120.570 0.376 0.000 2.315 786 I HA -0.145 4.024 4.170 -0.000 0.000 0.248 786 I C 2.321 178.520 176.117 0.138 0.000 1.117 786 I CA 1.055 62.475 61.300 0.200 0.000 1.404 786 I CB -0.139 37.760 38.000 -0.168 0.000 1.071 786 I HN 0.032 nan 8.210 nan 0.000 0.419 787 G N -0.174 108.689 108.800 0.104 0.000 2.534 787 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.217 787 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.217 787 G C 1.019 175.881 174.900 -0.064 0.000 1.128 787 G CA 0.336 45.448 45.100 0.020 0.000 0.784 787 G HN 0.286 nan 8.290 nan 0.000 0.542 788 D N -0.381 120.036 120.400 0.027 0.000 2.371 788 D HA 0.018 4.658 4.640 -0.000 0.000 0.221 788 D C 0.077 176.232 176.300 -0.243 0.000 0.986 788 D CA 0.071 54.021 54.000 -0.083 0.000 0.899 788 D CB 0.061 40.827 40.800 -0.056 0.000 0.902 788 D HN 0.397 nan 8.370 nan 0.000 0.530 789 W N 0.354 121.607 121.300 -0.079 0.000 2.351 789 W HA 0.374 5.034 4.660 -0.000 0.000 0.311 789 W C -0.173 176.347 176.519 0.002 0.000 1.168 789 W CA -0.644 56.727 57.345 0.043 0.000 1.200 789 W CB 0.403 29.892 29.460 0.049 0.000 1.221 789 W HN -0.199 nan 8.180 nan 0.000 0.519 790 Y N 1.472 121.998 120.300 0.377 0.000 2.446 790 Y HA 0.645 5.195 4.550 -0.000 0.000 0.338 790 Y C -0.025 176.092 175.900 0.362 0.000 1.055 790 Y CA -1.274 57.017 58.100 0.318 0.000 1.101 790 Y CB 1.427 39.979 38.460 0.153 0.000 1.221 790 Y HN -0.041 nan 8.280 nan 0.000 0.460 791 V N 3.143 123.338 119.914 0.468 0.000 2.604 791 V HA 0.437 4.557 4.120 -0.000 0.000 0.305 791 V C -0.236 176.012 176.094 0.256 0.000 1.043 791 V CA -1.302 61.204 62.300 0.343 0.000 0.888 791 V CB 1.798 33.791 31.823 0.283 0.000 0.995 791 V HN 0.684 nan 8.190 nan 0.000 0.429 792 R N 2.063 122.675 120.500 0.187 0.000 2.438 792 R HA 0.616 4.956 4.340 -0.000 0.000 0.287 792 R C -0.040 176.319 176.300 0.098 0.000 1.077 792 R CA -0.012 56.169 56.100 0.135 0.000 1.034 792 R CB 1.222 31.586 30.300 0.107 0.000 0.993 792 R HN 0.899 nan 8.270 nan 0.000 0.459 793 A N 2.531 125.403 122.820 0.086 0.000 2.282 793 A HA 0.494 4.814 4.320 -0.000 0.000 0.319 793 A C 0.998 178.606 177.584 0.040 0.000 1.121 793 A CA 0.087 52.158 52.037 0.057 0.000 0.836 793 A CB 1.190 20.228 19.000 0.064 0.000 1.146 793 A HN 0.898 nan 8.150 nan 0.000 0.494 794 A N 0.851 123.685 122.820 0.023 0.000 1.927 794 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 794 A C 1.497 179.094 177.584 0.021 0.000 1.185 794 A CA 2.594 54.641 52.037 0.018 0.000 0.639 794 A CB -1.065 17.940 19.000 0.008 0.000 0.820 794 A HN 0.993 nan 8.150 nan 0.000 0.451 795 D N -2.490 117.924 120.400 0.024 0.000 2.218 795 D HA 0.216 4.856 4.640 -0.000 0.000 0.204 795 D C 1.299 177.615 176.300 0.028 0.000 0.976 795 D CA 1.575 55.589 54.000 0.024 0.000 0.853 795 D CB -0.453 40.362 40.800 0.025 0.000 0.939 795 D HN 0.988 nan 8.370 nan 0.000 0.481 796 G N -0.607 108.215 108.800 0.036 0.000 2.192 796 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.193 796 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.193 796 G C -0.054 174.873 174.900 0.045 0.000 0.999 796 G CA 0.039 45.163 45.100 0.039 0.000 0.659 796 G HN 0.722 nan 8.290 nan 0.000 0.503 797 Q N 0.627 120.457 119.800 0.051 0.000 2.226 797 Q HA 0.808 5.148 4.340 -0.000 0.000 0.256 797 Q C 0.115 176.168 176.000 0.089 0.000 0.962 797 Q CA -1.149 54.687 55.803 0.055 0.000 0.887 797 Q CB 1.223 29.991 28.738 0.050 0.000 1.282 797 Q HN 0.109 nan 8.270 nan 0.000 0.449 798 M N 2.393 122.047 119.600 0.089 0.000 2.162 798 M HA 0.301 4.780 4.480 -0.000 0.000 0.356 798 M C -0.608 175.866 176.300 0.291 0.000 1.303 798 M CA -0.635 54.768 55.300 0.171 0.000 1.116 798 M CB 0.732 33.363 32.600 0.052 0.000 1.632 798 M HN 0.612 nan 8.290 nan 0.000 0.469 799 V N 6.844 126.972 119.914 0.357 0.000 2.495 799 V HA 0.687 4.807 4.120 -0.000 0.000 0.298 799 V C -2.310 173.925 176.094 0.234 0.000 1.031 799 V CA -1.938 60.549 62.300 0.311 0.000 0.871 799 V CB 2.478 34.462 31.823 0.269 0.000 0.988 799 V HN 0.689 nan 8.190 nan 0.000 0.432 800 P HA 0.228 nan 4.420 nan 0.000 0.281 800 P C 0.577 177.537 177.300 -0.566 0.000 1.249 800 P CA -0.211 62.614 63.100 -0.458 0.000 0.810 800 P CB 1.124 32.512 31.700 -0.520 0.000 1.008 801 F N 1.163 120.689 119.950 -0.707 0.000 2.161 801 F HA -0.254 4.273 4.527 -0.001 0.000 0.300 801 F C 2.718 178.025 175.800 -0.821 0.000 1.089 801 F CA 2.357 59.736 58.000 -1.035 0.000 1.282 801 F CB -0.570 38.218 39.000 -0.354 0.000 1.010 801 F HN 0.330 nan 8.300 nan 0.000 0.485 802 S N 0.012 115.546 115.700 -0.277 0.000 2.420 802 S HA -0.235 4.235 4.470 -0.000 0.000 0.237 802 S C 1.832 176.302 174.600 -0.217 0.000 1.023 802 S CA 0.921 59.015 58.200 -0.177 0.000 0.991 802 S CB -0.823 62.315 63.200 -0.104 0.000 0.792 802 S HN 0.288 nan 8.310 nan 0.000 0.488 803 A N 0.405 123.019 122.820 -0.342 0.000 2.302 803 A HA 0.541 4.860 4.320 -0.000 0.000 0.219 803 A C 0.807 178.339 177.584 -0.086 0.000 1.243 803 A CA -0.000 51.926 52.037 -0.185 0.000 0.856 803 A CB -0.748 18.200 19.000 -0.087 0.000 0.893 803 A HN 1.084 nan 8.150 nan 0.000 0.491 804 F N -2.670 117.242 119.950 -0.064 0.000 2.560 804 F HA 0.361 4.887 4.527 -0.000 0.000 0.340 804 F C -0.371 175.368 175.800 -0.101 0.000 1.290 804 F CA -0.084 57.858 58.000 -0.097 0.000 0.986 804 F CB -0.275 38.636 39.000 -0.148 0.000 1.428 804 F HN 0.148 nan 8.300 nan 0.000 0.496 805 S N 0.623 116.348 115.700 0.041 0.000 2.548 805 S HA 0.736 5.205 4.470 -0.000 0.000 0.278 805 S C -0.752 173.853 174.600 0.007 0.000 1.150 805 S CA 0.120 58.367 58.200 0.077 0.000 0.907 805 S CB 1.537 64.844 63.200 0.179 0.000 1.108 805 S HN 0.813 nan 8.310 nan 0.000 0.459 806 S N 1.526 117.213 115.700 -0.022 0.000 2.798 806 S HA 0.994 5.464 4.470 -0.000 0.000 0.312 806 S C -0.083 174.428 174.600 -0.148 0.000 1.122 806 S CA -0.134 58.028 58.200 -0.063 0.000 0.949 806 S CB 1.299 64.463 63.200 -0.059 0.000 1.235 806 S HN 2.182 nan 8.310 nan 0.000 0.552 807 S N -0.626 114.945 115.700 -0.214 0.000 2.688 807 S HA 0.914 5.384 4.470 -0.000 0.000 0.275 807 S C -1.300 173.047 174.600 -0.421 0.000 1.175 807 S CA -1.118 56.806 58.200 -0.460 0.000 0.818 807 S CB 1.545 64.310 63.200 -0.725 0.000 1.157 807 S HN 1.443 nan 8.310 nan 0.000 0.482 808 R N -1.176 118.929 120.500 -0.657 0.000 3.033 808 R HA 0.333 4.672 4.340 -0.000 0.000 0.284 808 R C -2.251 173.707 176.300 -0.570 0.000 0.997 808 R CA -0.975 54.874 56.100 -0.419 0.000 0.851 808 R CB -0.170 29.997 30.300 -0.223 0.000 1.297 808 R HN 0.631 nan 8.270 nan 0.000 0.518 809 W N 0.801 121.989 121.300 -0.187 0.000 2.448 809 W HA 0.533 5.193 4.660 -0.000 0.000 0.339 809 W C 0.236 176.532 176.519 -0.371 0.000 1.124 809 W CA -0.069 57.148 57.345 -0.213 0.000 1.262 809 W CB 1.351 30.731 29.460 -0.135 0.000 1.251 809 W HN 0.498 nan 8.180 nan 0.000 0.597 810 E N 0.136 120.223 120.200 -0.189 0.000 2.459 810 E HA 0.482 4.831 4.350 -0.000 0.000 0.275 810 E C -1.778 174.518 176.600 -0.507 0.000 0.987 810 E CA -1.175 54.990 56.400 -0.391 0.000 0.828 810 E CB 2.249 31.846 29.700 -0.171 0.000 1.428 810 E HN 0.228 nan 8.360 nan 0.000 0.457 811 Y N -0.904 119.464 120.300 0.112 0.000 2.524 811 Y HA 0.757 5.307 4.550 -0.000 0.000 0.347 811 Y C 0.318 176.267 175.900 0.082 0.000 1.005 811 Y CA -0.736 57.427 58.100 0.105 0.000 1.025 811 Y CB 2.649 41.162 38.460 0.088 0.000 1.275 811 Y HN 0.668 nan 8.280 nan 0.000 0.460 812 G N -0.255 108.693 108.800 0.247 0.000 2.523 812 G HA2 0.402 4.362 3.960 -0.000 0.000 0.291 812 G HA3 0.402 4.362 3.960 -0.000 0.000 0.291 812 G C -1.702 173.269 174.900 0.119 0.000 1.450 812 G CA -0.956 44.231 45.100 0.145 0.000 0.790 812 G HN 0.512 nan 8.290 nan 0.000 0.496 813 S N 0.521 116.244 115.700 0.039 0.000 2.523 813 S HA 0.536 5.005 4.470 -0.000 0.000 0.275 813 S C -0.906 173.703 174.600 0.015 0.000 1.281 813 S CA -1.173 57.036 58.200 0.015 0.000 1.050 813 S CB 1.330 64.407 63.200 -0.206 0.000 0.937 813 S HN 0.406 nan 8.310 nan 0.000 0.492 814 P HA 0.081 nan 4.420 nan 0.000 0.245 814 P C -0.137 177.182 177.300 0.031 0.000 1.206 814 P CA 0.290 63.416 63.100 0.044 0.000 0.781 814 P CB 0.078 31.814 31.700 0.061 0.000 0.994 815 R N 0.203 120.718 120.500 0.025 0.000 2.658 815 R HA 0.394 4.734 4.340 -0.000 0.000 0.287 815 R C -1.804 174.505 176.300 0.016 0.000 1.209 815 R CA -0.504 55.611 56.100 0.025 0.000 1.046 815 R CB 0.540 30.865 30.300 0.042 0.000 1.247 815 R HN -0.090 nan 8.270 nan 0.000 0.405 816 L N 3.989 125.207 121.223 -0.008 0.000 2.296 816 L HA 0.496 4.836 4.340 -0.000 0.000 0.286 816 L C -0.079 176.810 176.870 0.031 0.000 1.023 816 L CA -0.631 54.197 54.840 -0.019 0.000 0.812 816 L CB 1.917 43.927 42.059 -0.082 0.000 1.223 816 L HN 0.612 nan 8.230 nan 0.000 0.421 817 E N 3.542 123.779 120.200 0.062 0.000 2.227 817 E HA 0.701 5.050 4.350 -0.000 0.000 0.268 817 E C -0.976 175.674 176.600 0.083 0.000 0.990 817 E CA -0.974 55.472 56.400 0.077 0.000 0.856 817 E CB 1.920 31.672 29.700 0.086 0.000 1.159 817 E HN 0.442 nan 8.360 nan 0.000 0.401 818 R N 1.006 121.564 120.500 0.095 0.000 2.698 818 R HA 0.433 4.773 4.340 -0.000 0.000 0.275 818 R C -1.692 174.702 176.300 0.155 0.000 1.001 818 R CA -0.947 55.213 56.100 0.099 0.000 0.896 818 R CB 1.689 32.023 30.300 0.058 0.000 1.218 818 R HN 0.520 nan 8.270 nan 0.000 0.462 819 Y N 1.825 122.118 120.300 -0.013 0.000 2.386 819 Y HA 0.204 4.754 4.550 -0.000 0.000 0.334 819 Y C -0.522 175.363 175.900 -0.026 0.000 1.002 819 Y CA -0.906 57.177 58.100 -0.029 0.000 1.068 819 Y CB 1.406 39.825 38.460 -0.068 0.000 1.203 819 Y HN 0.703 nan 8.280 nan 0.000 0.443 820 N N 3.963 122.455 118.700 -0.346 0.000 2.716 820 N HA -0.222 4.518 4.740 -0.000 0.000 0.250 820 N C 0.983 176.445 175.510 -0.080 0.000 1.033 820 N CA 1.785 54.708 53.050 -0.212 0.000 0.727 820 N CB -1.131 37.257 38.487 -0.165 0.000 0.950 820 N HN 1.355 nan 8.380 nan 0.000 0.541 821 G N -2.755 106.011 108.800 -0.055 0.000 2.205 821 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.261 821 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.261 821 G C -0.171 174.733 174.900 0.007 0.000 0.980 821 G CA 0.576 45.664 45.100 -0.019 0.000 0.632 821 G HN 0.347 nan 8.290 nan 0.000 0.533 822 L N 1.053 122.291 121.223 0.025 0.000 2.330 822 L HA 0.653 4.992 4.340 -0.000 0.000 0.271 822 L C -2.084 174.821 176.870 0.058 0.000 1.013 822 L CA -2.525 52.338 54.840 0.038 0.000 0.816 822 L CB 1.437 43.516 42.059 0.034 0.000 1.287 822 L HN -0.200 nan 8.230 nan 0.000 0.435 823 P HA 0.156 nan 4.420 nan 0.000 0.264 823 P C -0.935 176.411 177.300 0.076 0.000 1.193 823 P CA 0.171 63.314 63.100 0.071 0.000 0.763 823 P CB 0.616 32.362 31.700 0.076 0.000 0.810 824 S N 2.736 118.488 115.700 0.086 0.000 2.720 824 S HA 0.845 5.314 4.470 -0.000 0.000 0.287 824 S C -1.083 173.560 174.600 0.071 0.000 1.168 824 S CA -0.890 57.349 58.200 0.065 0.000 0.832 824 S CB 1.383 64.620 63.200 0.062 0.000 1.166 824 S HN 0.214 nan 8.310 nan 0.000 0.493 825 M N 1.509 121.134 119.600 0.043 0.000 2.182 825 M HA 0.381 4.860 4.480 -0.000 0.000 0.266 825 M C -1.042 175.282 176.300 0.041 0.000 0.989 825 M CA -0.217 55.117 55.300 0.056 0.000 1.003 825 M CB 2.122 34.758 32.600 0.061 0.000 1.812 825 M HN 0.917 nan 8.290 nan 0.000 0.472 826 E N 4.004 124.224 120.200 0.033 0.000 2.313 826 E HA 0.535 4.884 4.350 -0.000 0.000 0.276 826 E C -1.435 175.204 176.600 0.064 0.000 1.031 826 E CA -0.193 56.224 56.400 0.029 0.000 0.857 826 E CB 1.120 30.826 29.700 0.009 0.000 1.040 826 E HN 0.631 nan 8.360 nan 0.000 0.408 827 I N 4.763 125.413 120.570 0.133 0.000 2.465 827 I HA 0.245 4.414 4.170 -0.000 0.000 0.291 827 I C -0.882 175.287 176.117 0.086 0.000 1.014 827 I CA -0.990 60.367 61.300 0.095 0.000 1.093 827 I CB 1.342 39.401 38.000 0.098 0.000 1.267 827 I HN 0.434 nan 8.210 nan 0.000 0.431 828 L N 4.376 125.547 121.223 -0.087 0.000 2.334 828 L HA 0.949 5.289 4.340 -0.000 0.000 0.270 828 L C 0.339 176.894 176.870 -0.525 0.000 1.018 828 L CA -0.218 54.459 54.840 -0.272 0.000 0.811 828 L CB 1.797 43.659 42.059 -0.328 0.000 1.271 828 L HN 0.756 nan 8.230 nan 0.000 0.443 829 G N 0.545 108.696 108.800 -1.082 0.000 2.466 829 G HA2 0.551 4.511 3.960 -0.000 0.000 0.291 829 G HA3 0.551 4.511 3.960 -0.000 0.000 0.291 829 G C -1.922 172.210 174.900 -1.280 0.000 1.460 829 G CA -0.553 43.788 45.100 -1.265 0.000 0.791 829 G HN 0.397 nan 8.290 nan 0.000 0.505 830 Q N -0.984 118.512 119.800 -0.507 0.000 2.458 830 Q HA 0.733 5.073 4.340 -0.000 0.000 0.282 830 Q C -0.259 175.802 176.000 0.102 0.000 1.106 830 Q CA -0.949 54.758 55.803 -0.160 0.000 0.814 830 Q CB 2.681 31.375 28.738 -0.073 0.000 1.425 830 Q HN 0.956 nan 8.270 nan 0.000 0.437 831 A N 0.634 123.532 122.820 0.131 0.000 2.316 831 A HA 0.728 5.048 4.320 -0.000 0.000 0.284 831 A C -0.213 177.421 177.584 0.084 0.000 1.115 831 A CA -0.179 51.939 52.037 0.135 0.000 0.812 831 A CB 0.506 19.571 19.000 0.109 0.000 1.064 831 A HN 0.740 nan 8.150 nan 0.000 0.489 832 A N 2.636 125.501 122.820 0.075 0.000 2.429 832 A HA 0.540 4.859 4.320 -0.000 0.000 0.242 832 A C -2.301 175.309 177.584 0.042 0.000 1.088 832 A CA -0.985 51.086 52.037 0.056 0.000 0.784 832 A CB -0.822 18.209 19.000 0.052 0.000 1.038 832 A HN 0.624 nan 8.150 nan 0.000 0.501 833 P HA 0.263 nan 4.420 nan 0.000 0.265 833 P C 0.828 178.140 177.300 0.020 0.000 1.193 833 P CA 1.890 65.007 63.100 0.027 0.000 0.765 833 P CB 0.487 32.200 31.700 0.022 0.000 0.823 834 G N 0.709 109.519 108.800 0.016 0.000 2.143 834 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.248 834 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.248 834 G C 0.038 174.937 174.900 -0.001 0.000 0.991 834 G CA -0.003 45.100 45.100 0.005 0.000 0.689 834 G HN 0.492 nan 8.290 nan 0.000 0.522 835 K N 0.012 120.417 120.400 0.009 0.000 2.400 835 K HA 0.797 5.117 4.320 -0.000 0.000 0.246 835 K C 0.232 176.838 176.600 0.010 0.000 0.995 835 K CA -0.111 56.179 56.287 0.005 0.000 0.840 835 K CB 1.681 34.192 32.500 0.018 0.000 1.293 835 K HN 0.584 nan 8.250 nan 0.000 0.445 836 S N -1.723 113.976 115.700 -0.001 0.000 2.638 836 S HA 0.257 4.727 4.470 -0.000 0.000 0.298 836 S C 1.200 175.812 174.600 0.020 0.000 1.111 836 S CA -0.096 58.107 58.200 0.004 0.000 1.027 836 S CB 1.168 64.353 63.200 -0.025 0.000 1.064 836 S HN 0.622 nan 8.310 nan 0.000 0.525 837 T N -0.197 114.380 114.554 0.039 0.000 2.699 837 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 837 T C 2.046 176.730 174.700 -0.026 0.000 1.036 837 T CA 1.646 63.778 62.100 0.054 0.000 1.147 837 T CB -1.633 67.272 68.868 0.062 0.000 0.862 837 T HN 0.936 nan 8.240 nan 0.000 0.446 838 G N 1.612 110.382 108.800 -0.050 0.000 2.529 838 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.219 838 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.219 838 G C 1.543 176.389 174.900 -0.091 0.000 1.177 838 G CA 1.044 46.087 45.100 -0.094 0.000 0.773 838 G HN 0.669 nan 8.290 nan 0.000 0.573 839 E N 0.525 120.690 120.200 -0.059 0.000 2.110 839 E HA -0.029 4.320 4.350 -0.000 0.000 0.193 839 E C 2.967 179.533 176.600 -0.056 0.000 0.988 839 E CA 0.666 57.035 56.400 -0.052 0.000 0.804 839 E CB -0.205 29.473 29.700 -0.037 0.000 0.745 839 E HN 0.429 nan 8.360 nan 0.000 0.458 840 A N 1.253 124.052 122.820 -0.036 0.000 1.902 840 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 840 A C 2.177 179.643 177.584 -0.195 0.000 1.181 840 A CA 1.425 53.429 52.037 -0.055 0.000 0.623 840 A CB -0.459 18.615 19.000 0.123 0.000 0.818 840 A HN 0.137 nan 8.150 nan 0.000 0.443 841 M N -1.230 118.258 119.600 -0.187 0.000 2.117 841 M HA -0.174 4.306 4.480 -0.000 0.000 0.262 841 M C 2.240 178.594 176.300 0.090 0.000 1.065 841 M CA 1.983 57.185 55.300 -0.164 0.000 1.114 841 M CB -0.417 31.803 32.600 -0.633 0.000 1.361 841 M HN 0.641 nan 8.290 nan 0.000 0.408 842 E N 0.762 120.953 120.200 -0.015 0.000 2.038 842 E HA -0.255 4.094 4.350 -0.000 0.000 0.195 842 E C 1.946 178.531 176.600 -0.024 0.000 1.000 842 E CA 1.354 57.767 56.400 0.021 0.000 0.803 842 E CB -0.091 29.599 29.700 -0.017 0.000 0.750 842 E HN 0.302 nan 8.360 nan 0.000 0.448 843 L N 0.625 121.792 121.223 -0.093 0.000 2.046 843 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 843 L C 2.189 178.919 176.870 -0.233 0.000 1.077 843 L CA 1.673 56.409 54.840 -0.173 0.000 0.747 843 L CB -0.477 41.453 42.059 -0.214 0.000 0.896 843 L HN 0.246 nan 8.230 nan 0.000 0.432 844 M N -0.559 118.891 119.600 -0.251 0.000 2.149 844 M HA -0.219 4.261 4.480 -0.000 0.000 0.261 844 M C 2.209 178.275 176.300 -0.389 0.000 1.064 844 M CA 1.576 56.637 55.300 -0.398 0.000 1.102 844 M CB -1.070 31.239 32.600 -0.484 0.000 1.369 844 M HN 0.416 nan 8.290 nan 0.000 0.408 845 E N -0.458 119.620 120.200 -0.203 0.000 2.072 845 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 845 E C 2.084 178.556 176.600 -0.214 0.000 0.985 845 E CA 0.988 57.225 56.400 -0.271 0.000 0.801 845 E CB -0.034 29.696 29.700 0.050 0.000 0.750 845 E HN 0.609 nan 8.360 nan 0.000 0.452 846 Q N 0.473 120.190 119.800 -0.139 0.000 2.020 846 Q HA -0.157 4.182 4.340 -0.000 0.000 0.202 846 Q C 2.441 178.350 176.000 -0.151 0.000 0.982 846 Q CA 1.155 56.890 55.803 -0.112 0.000 0.838 846 Q CB -0.175 28.505 28.738 -0.098 0.000 0.899 846 Q HN 0.296 nan 8.270 nan 0.000 0.423 847 L N 0.274 121.368 121.223 -0.215 0.000 2.079 847 L HA -0.220 4.119 4.340 -0.000 0.000 0.210 847 L C 2.520 179.264 176.870 -0.210 0.000 1.081 847 L CA 1.002 55.713 54.840 -0.215 0.000 0.752 847 L CB -0.703 41.188 42.059 -0.279 0.000 0.896 847 L HN 0.246 nan 8.230 nan 0.000 0.433 848 A N 0.203 122.847 122.820 -0.293 0.000 1.933 848 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 848 A C 2.556 180.054 177.584 -0.143 0.000 1.175 848 A CA 1.870 53.733 52.037 -0.288 0.000 0.628 848 A CB -0.603 18.022 19.000 -0.626 0.000 0.814 848 A HN 0.540 nan 8.150 nan 0.000 0.444 849 S N 1.220 116.854 115.700 -0.109 0.000 2.356 849 S HA -0.212 4.257 4.470 -0.000 0.000 0.223 849 S C 1.449 176.039 174.600 -0.017 0.000 1.032 849 S CA 1.341 59.529 58.200 -0.019 0.000 1.005 849 S CB -0.656 62.539 63.200 -0.008 0.000 0.867 849 S HN 0.715 nan 8.310 nan 0.000 0.449 850 K N 1.756 122.133 120.400 -0.037 0.000 3.233 850 K HA 0.340 4.660 4.320 -0.000 0.000 0.283 850 K C -0.309 176.276 176.600 -0.025 0.000 1.209 850 K CA -0.101 56.170 56.287 -0.026 0.000 1.197 850 K CB -0.626 31.857 32.500 -0.028 0.000 1.431 850 K HN 0.387 nan 8.250 nan 0.000 0.326 851 L N 0.722 121.936 121.223 -0.015 0.000 2.301 851 L HA 0.482 4.822 4.340 -0.000 0.000 0.264 851 L C -2.218 174.652 176.870 0.001 0.000 1.016 851 L CA -2.987 51.847 54.840 -0.010 0.000 0.821 851 L CB 1.653 43.708 42.059 -0.007 0.000 1.346 851 L HN 0.116 nan 8.230 nan 0.000 0.429 852 P HA 0.034 nan 4.420 nan 0.000 0.263 852 P C -0.371 176.934 177.300 0.008 0.000 1.195 852 P CA -0.179 62.922 63.100 0.002 0.000 0.762 852 P CB 0.229 31.929 31.700 -0.000 0.000 0.799 853 T N 0.282 114.840 114.554 0.008 0.000 2.854 853 T HA 0.222 4.572 4.350 -0.000 0.000 0.336 853 T C 1.379 176.084 174.700 0.009 0.000 1.095 853 T CA 0.363 62.468 62.100 0.009 0.000 1.118 853 T CB 0.036 68.908 68.868 0.007 0.000 1.025 853 T HN 0.849 nan 8.240 nan 0.000 0.549 854 G N 0.084 108.889 108.800 0.008 0.000 2.317 854 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.227 854 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.227 854 G C 0.235 175.140 174.900 0.009 0.000 1.042 854 G CA 0.070 45.175 45.100 0.008 0.000 0.623 854 G HN 1.717 nan 8.290 nan 0.000 0.509 855 V N 2.289 122.212 119.914 0.015 0.000 2.350 855 V HA 0.793 4.913 4.120 -0.000 0.000 0.276 855 V C 0.825 176.940 176.094 0.034 0.000 1.028 855 V CA 0.877 63.189 62.300 0.021 0.000 0.860 855 V CB 0.778 32.616 31.823 0.024 0.000 0.990 855 V HN 1.166 nan 8.190 nan 0.000 0.453 856 G N 5.563 114.371 108.800 0.014 0.000 2.828 856 G HA2 0.743 4.703 3.960 -0.000 0.000 0.244 856 G HA3 0.743 4.703 3.960 -0.000 0.000 0.244 856 G C -1.109 173.799 174.900 0.014 0.000 1.365 856 G CA -0.119 44.986 45.100 0.009 0.000 1.041 856 G HN 1.276 nan 8.290 nan 0.000 0.560 857 Y N -2.688 117.445 120.300 -0.279 0.000 2.750 857 Y HA 0.746 5.296 4.550 -0.000 0.000 0.335 857 Y C -1.830 173.727 175.900 -0.572 0.000 1.252 857 Y CA -1.385 56.374 58.100 -0.569 0.000 1.064 857 Y CB 1.713 39.685 38.460 -0.815 0.000 1.321 857 Y HN 0.588 nan 8.280 nan 0.000 0.451 858 D N -0.400 119.520 120.400 -0.800 0.000 2.622 858 D HA 0.236 4.875 4.640 -0.000 0.000 0.255 858 D C -2.110 173.837 176.300 -0.588 0.000 1.246 858 D CA -0.220 53.403 54.000 -0.629 0.000 0.795 858 D CB 2.199 42.790 40.800 -0.349 0.000 1.369 858 D HN 0.606 nan 8.370 nan 0.000 0.425 859 W N 1.189 122.374 121.300 -0.192 0.000 2.520 859 W HA 0.524 5.183 4.660 -0.001 0.000 0.323 859 W C 0.266 176.745 176.519 -0.067 0.000 1.062 859 W CA -0.294 56.987 57.345 -0.107 0.000 1.215 859 W CB 1.678 31.136 29.460 -0.003 0.000 1.340 859 W HN 0.182 nan 8.180 nan 0.000 0.516 860 T N 0.706 115.348 114.554 0.146 0.000 2.858 860 T HA 0.607 4.956 4.350 -0.000 0.000 0.285 860 T C 0.778 175.490 174.700 0.020 0.000 1.052 860 T CA 0.678 62.698 62.100 -0.132 0.000 1.009 860 T CB 1.059 69.680 68.868 -0.412 0.000 1.241 860 T HN 0.784 nan 8.240 nan 0.000 0.542 861 G N 2.091 110.879 108.800 -0.020 0.000 2.684 861 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.332 861 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.332 861 G C 1.046 175.996 174.900 0.083 0.000 1.306 861 G CA 1.255 46.426 45.100 0.118 0.000 1.002 861 G HN 0.771 nan 8.290 nan 0.000 0.545 862 M N 0.309 119.920 119.600 0.018 0.000 2.088 862 M HA -0.083 4.396 4.480 -0.000 0.000 0.256 862 M C 2.896 179.086 176.300 -0.184 0.000 1.071 862 M CA 2.956 58.200 55.300 -0.094 0.000 1.097 862 M CB -0.935 31.650 32.600 -0.025 0.000 1.315 862 M HN 0.507 nan 8.290 nan 0.000 0.406 863 S N -1.304 114.347 115.700 -0.082 0.000 2.399 863 S HA -0.181 4.289 4.470 -0.000 0.000 0.231 863 S C 1.792 176.290 174.600 -0.170 0.000 1.022 863 S CA 1.246 59.313 58.200 -0.221 0.000 0.983 863 S CB -0.715 62.321 63.200 -0.274 0.000 0.803 863 S HN 0.630 nan 8.310 nan 0.000 0.480 864 Y N 2.247 122.487 120.300 -0.099 0.000 2.163 864 Y HA -0.174 4.375 4.550 -0.000 0.000 0.288 864 Y C 2.506 178.347 175.900 -0.098 0.000 1.136 864 Y CA 1.490 59.581 58.100 -0.016 0.000 1.147 864 Y CB -0.203 38.310 38.460 0.088 0.000 0.987 864 Y HN 0.116 nan 8.280 nan 0.000 0.509 865 Q N 0.552 120.359 119.800 0.011 0.000 2.124 865 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 865 Q C 2.179 177.966 176.000 -0.356 0.000 0.977 865 Q CA 1.888 57.564 55.803 -0.211 0.000 0.850 865 Q CB -0.428 27.984 28.738 -0.543 0.000 0.901 865 Q HN 0.681 nan 8.270 nan 0.000 0.429 866 E N 0.504 120.424 120.200 -0.467 0.000 2.077 866 E HA -0.188 4.161 4.350 -0.000 0.000 0.193 866 E C 2.132 178.644 176.600 -0.147 0.000 0.989 866 E CA 0.730 56.990 56.400 -0.233 0.000 0.800 866 E CB 0.096 29.655 29.700 -0.236 0.000 0.746 866 E HN 0.126 nan 8.360 nan 0.000 0.452 867 R N 0.513 120.879 120.500 -0.224 0.000 2.070 867 R HA -0.148 4.192 4.340 -0.000 0.000 0.233 867 R C 2.628 178.851 176.300 -0.128 0.000 1.137 867 R CA 1.368 57.359 56.100 -0.181 0.000 0.945 867 R CB -0.541 29.648 30.300 -0.186 0.000 0.845 867 R HN 0.324 nan 8.270 nan 0.000 0.430 868 L N 0.538 121.650 121.223 -0.185 0.000 2.042 868 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 868 L C 2.527 179.390 176.870 -0.011 0.000 1.076 868 L CA 1.903 56.672 54.840 -0.119 0.000 0.749 868 L CB -0.421 41.545 42.059 -0.156 0.000 0.893 868 L HN 0.211 nan 8.230 nan 0.000 0.432 869 S N -0.416 115.295 115.700 0.017 0.000 2.359 869 S HA -0.194 4.276 4.470 -0.000 0.000 0.222 869 S C 1.929 176.571 174.600 0.069 0.000 1.038 869 S CA 1.657 59.904 58.200 0.078 0.000 1.051 869 S CB -0.791 62.526 63.200 0.195 0.000 0.944 869 S HN 0.677 nan 8.310 nan 0.000 0.433 870 G N 1.432 110.266 108.800 0.058 0.000 2.422 870 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.218 870 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.218 870 G C 1.477 176.419 174.900 0.070 0.000 1.140 870 G CA 0.558 45.700 45.100 0.069 0.000 0.775 870 G HN 0.530 nan 8.290 nan 0.000 0.545 871 N N 0.775 119.500 118.700 0.042 0.000 2.309 871 N HA -0.075 4.664 4.740 -0.000 0.000 0.182 871 N C 2.229 177.780 175.510 0.068 0.000 1.018 871 N CA 1.258 54.337 53.050 0.047 0.000 0.876 871 N CB -0.072 38.426 38.487 0.017 0.000 0.972 871 N HN 0.716 nan 8.380 nan 0.000 0.434 872 Q N -0.964 118.886 119.800 0.083 0.000 2.247 872 Q HA 0.424 4.763 4.340 -0.000 0.000 0.204 872 Q C 1.436 177.467 176.000 0.053 0.000 0.872 872 Q CA 0.020 55.904 55.803 0.135 0.000 0.951 872 Q CB 0.386 29.272 28.738 0.246 0.000 1.099 872 Q HN 0.063 nan 8.270 nan 0.000 0.501 873 A N 2.239 125.047 122.820 -0.019 0.000 1.898 873 A HA 0.005 4.324 4.320 -0.000 0.000 0.216 873 A C -0.390 177.004 177.584 -0.317 0.000 1.181 873 A CA 0.897 52.793 52.037 -0.236 0.000 0.620 873 A CB -1.101 17.892 19.000 -0.012 0.000 0.819 873 A HN 0.322 nan 8.150 nan 0.000 0.442 874 P HA -0.099 nan 4.420 nan 0.000 0.213 874 P C 1.644 178.963 177.300 0.032 0.000 1.170 874 P CA 1.845 65.000 63.100 0.092 0.000 0.898 874 P CB -0.116 31.643 31.700 0.099 0.000 0.787 875 S N -0.743 114.985 115.700 0.046 0.000 2.507 875 S HA -0.051 4.419 4.470 -0.000 0.000 0.235 875 S C 1.662 176.310 174.600 0.080 0.000 0.988 875 S CA 0.330 58.581 58.200 0.084 0.000 0.944 875 S CB -0.950 62.328 63.200 0.130 0.000 0.762 875 S HN 0.064 nan 8.310 nan 0.000 0.526 876 L N 0.477 121.625 121.223 -0.124 0.000 2.005 876 L HA -0.087 4.252 4.340 -0.000 0.000 0.207 876 L C 1.736 178.400 176.870 -0.343 0.000 1.072 876 L CA 2.107 56.650 54.840 -0.496 0.000 0.744 876 L CB -1.052 40.398 42.059 -1.015 0.000 0.895 876 L HN 0.280 nan 8.230 nan 0.000 0.433 877 Y N 0.595 120.803 120.300 -0.153 0.000 2.224 877 Y HA -0.126 4.423 4.550 -0.000 0.000 0.289 877 Y C 2.793 178.634 175.900 -0.097 0.000 1.146 877 Y CA 1.107 59.118 58.100 -0.149 0.000 1.182 877 Y CB -1.327 37.047 38.460 -0.144 0.000 0.983 877 Y HN 0.293 nan 8.280 nan 0.000 0.524 878 A N 0.261 123.128 122.820 0.079 0.000 1.845 878 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 878 A C 2.259 179.868 177.584 0.042 0.000 1.195 878 A CA 1.868 53.933 52.037 0.046 0.000 0.616 878 A CB -1.183 17.840 19.000 0.040 0.000 0.832 878 A HN 0.373 nan 8.150 nan 0.000 0.443 879 I N 0.079 120.685 120.570 0.061 0.000 2.264 879 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 879 I C 2.426 178.577 176.117 0.057 0.000 1.111 879 I CA 1.955 63.298 61.300 0.072 0.000 1.382 879 I CB -0.246 37.833 38.000 0.131 0.000 1.060 879 I HN 0.235 nan 8.210 nan 0.000 0.418 880 S N 0.208 115.923 115.700 0.026 0.000 2.368 880 S HA -0.105 4.365 4.470 -0.000 0.000 0.224 880 S C 1.946 176.552 174.600 0.009 0.000 1.029 880 S CA 1.476 59.671 58.200 -0.008 0.000 0.988 880 S CB -0.421 62.729 63.200 -0.083 0.000 0.838 880 S HN 0.445 nan 8.310 nan 0.000 0.462 881 L N 1.149 122.384 121.223 0.021 0.000 2.027 881 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 881 L C 2.189 179.115 176.870 0.093 0.000 1.074 881 L CA 0.770 55.633 54.840 0.037 0.000 0.745 881 L CB -0.565 41.504 42.059 0.017 0.000 0.898 881 L HN 0.278 nan 8.230 nan 0.000 0.433 882 I N -0.435 120.183 120.570 0.080 0.000 2.151 882 I HA -0.269 3.901 4.170 -0.000 0.000 0.243 882 I C 2.555 178.774 176.117 0.171 0.000 1.080 882 I CA 1.490 62.861 61.300 0.118 0.000 1.339 882 I CB -1.090 36.952 38.000 0.069 0.000 1.039 882 I HN 0.078 nan 8.210 nan 0.000 0.409 883 V N 0.396 120.378 119.914 0.113 0.000 2.515 883 V HA -0.182 3.938 4.120 -0.000 0.000 0.250 883 V C 2.586 178.738 176.094 0.096 0.000 1.058 883 V CA 0.982 63.342 62.300 0.101 0.000 1.064 883 V CB -0.298 31.570 31.823 0.076 0.000 0.675 883 V HN 0.195 nan 8.190 nan 0.000 0.461 884 V N -0.694 119.279 119.914 0.098 0.000 2.283 884 V HA -0.206 3.914 4.120 -0.000 0.000 0.243 884 V C 2.101 178.259 176.094 0.107 0.000 1.039 884 V CA 2.162 64.507 62.300 0.075 0.000 1.016 884 V CB -0.738 31.120 31.823 0.059 0.000 0.650 884 V HN 0.540 nan 8.190 nan 0.000 0.449 885 F N 0.850 120.832 119.950 0.054 0.000 2.043 885 F HA -0.258 4.269 4.527 -0.000 0.000 0.297 885 F C 2.133 178.006 175.800 0.121 0.000 1.121 885 F CA 1.967 60.027 58.000 0.100 0.000 1.199 885 F CB -0.447 38.625 39.000 0.119 0.000 0.968 885 F HN 0.004 nan 8.300 nan 0.000 0.478 886 L N -0.750 120.618 121.223 0.242 0.000 2.129 886 L HA -0.330 4.010 4.340 -0.000 0.000 0.212 886 L C 2.637 179.483 176.870 -0.041 0.000 1.087 886 L CA 1.305 56.227 54.840 0.136 0.000 0.757 886 L CB -0.987 41.199 42.059 0.210 0.000 0.896 886 L HN 0.388 nan 8.230 nan 0.000 0.434 887 C N -0.519 118.751 119.300 -0.048 0.000 2.466 887 C HA -0.085 4.375 4.460 -0.000 0.000 0.278 887 C C 2.705 177.567 174.990 -0.214 0.000 1.288 887 C CA 0.298 59.253 59.018 -0.105 0.000 1.722 887 C CB -0.578 27.122 27.740 -0.067 0.000 2.017 887 C HN 0.411 nan 8.230 nan 0.000 0.488 888 L N 1.004 122.089 121.223 -0.230 0.000 2.005 888 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 888 L C 2.909 179.586 176.870 -0.321 0.000 1.072 888 L CA 1.619 56.281 54.840 -0.297 0.000 0.744 888 L CB -1.038 40.944 42.059 -0.129 0.000 0.895 888 L HN 0.321 nan 8.230 nan 0.000 0.433 889 A N 0.427 123.015 122.820 -0.387 0.000 1.873 889 A HA -0.374 3.946 4.320 -0.000 0.000 0.219 889 A C 2.515 179.873 177.584 -0.377 0.000 1.269 889 A CA 2.864 54.638 52.037 -0.440 0.000 0.671 889 A CB -1.284 17.425 19.000 -0.485 0.000 0.842 889 A HN 0.454 nan 8.150 nan 0.000 0.460 890 A N -0.845 121.793 122.820 -0.303 0.000 1.849 890 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 890 A C 2.208 179.650 177.584 -0.236 0.000 1.202 890 A CA 1.907 53.800 52.037 -0.239 0.000 0.629 890 A CB -0.845 18.061 19.000 -0.158 0.000 0.834 890 A HN 0.695 nan 8.150 nan 0.000 0.447 891 L N -1.445 119.600 121.223 -0.297 0.000 2.127 891 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 891 L C 1.571 178.249 176.870 -0.320 0.000 1.089 891 L CA 2.012 56.632 54.840 -0.366 0.000 0.757 891 L CB -0.707 41.017 42.059 -0.558 0.000 0.899 891 L HN 0.655 nan 8.230 nan 0.000 0.434 892 Y N -0.525 119.687 120.300 -0.146 0.000 2.555 892 Y HA 0.088 4.638 4.550 -0.000 0.000 0.259 892 Y C 0.498 176.294 175.900 -0.173 0.000 1.179 892 Y CA -0.607 57.411 58.100 -0.136 0.000 1.230 892 Y CB 0.340 38.730 38.460 -0.117 0.000 1.146 892 Y HN 0.177 nan 8.280 nan 0.000 0.526 893 E N 1.850 121.987 120.200 -0.106 0.000 2.106 893 E HA -0.258 4.092 4.350 -0.000 0.000 0.175 893 E C -0.818 175.643 176.600 -0.233 0.000 1.448 893 E CA 0.869 57.152 56.400 -0.195 0.000 0.672 893 E CB -1.168 28.460 29.700 -0.120 0.000 1.057 893 E HN 0.291 nan 8.360 nan 0.000 0.321 894 S N -0.111 115.386 115.700 -0.338 0.000 2.565 894 S HA 0.539 5.009 4.470 -0.000 0.000 0.274 894 S C -0.317 174.082 174.600 -0.336 0.000 1.144 894 S CA -0.216 57.804 58.200 -0.300 0.000 0.849 894 S CB 0.231 63.378 63.200 -0.088 0.000 1.103 894 S HN 0.337 nan 8.310 nan 0.000 0.455 895 W N 1.324 122.611 121.300 -0.021 0.000 2.808 895 W HA 0.092 4.752 4.660 -0.000 0.000 0.266 895 W C 2.487 179.014 176.519 0.012 0.000 1.247 895 W CA 0.417 57.776 57.345 0.023 0.000 1.440 895 W CB 0.107 29.606 29.460 0.066 0.000 1.040 895 W HN 0.810 nan 8.180 nan 0.000 0.606 896 S N 0.601 116.359 115.700 0.096 0.000 2.357 896 S HA -0.167 4.302 4.470 -0.000 0.000 0.221 896 S C 1.619 176.270 174.600 0.086 0.000 1.031 896 S CA 0.921 59.078 58.200 -0.072 0.000 0.982 896 S CB -0.781 62.261 63.200 -0.264 0.000 0.853 896 S HN -0.003 nan 8.310 nan 0.000 0.458 897 I N 3.932 124.556 120.570 0.089 0.000 2.099 897 I HA -0.064 4.106 4.170 -0.000 0.000 0.239 897 I C -0.507 175.698 176.117 0.148 0.000 1.066 897 I CA 0.996 62.371 61.300 0.126 0.000 1.324 897 I CB -1.436 36.598 38.000 0.056 0.000 1.037 897 I HN 0.257 nan 8.210 nan 0.000 0.401 898 P HA -0.243 nan 4.420 nan 0.000 0.215 898 P C 2.028 179.508 177.300 0.300 0.000 1.153 898 P CA 1.720 64.861 63.100 0.068 0.000 0.853 898 P CB -0.293 31.165 31.700 -0.404 0.000 0.788 899 F N 2.357 122.498 119.950 0.319 0.000 2.171 899 F HA -0.179 4.347 4.527 -0.000 0.000 0.300 899 F C 2.416 178.269 175.800 0.088 0.000 1.090 899 F CA 1.912 60.087 58.000 0.293 0.000 1.293 899 F CB -0.904 38.220 39.000 0.206 0.000 1.013 899 F HN -0.017 nan 8.300 nan 0.000 0.486 900 S N 0.311 116.016 115.700 0.008 0.000 2.356 900 S HA -0.189 4.280 4.470 -0.000 0.000 0.223 900 S C 2.230 176.758 174.600 -0.119 0.000 1.032 900 S CA 1.705 59.848 58.200 -0.095 0.000 1.005 900 S CB -1.669 61.633 63.200 0.170 0.000 0.867 900 S HN 0.395 nan 8.310 nan 0.000 0.449 901 V N -0.233 119.689 119.914 0.013 0.000 2.261 901 V HA -0.079 4.040 4.120 -0.000 0.000 0.246 901 V C 2.520 178.583 176.094 -0.051 0.000 1.047 901 V CA 2.007 64.326 62.300 0.031 0.000 1.015 901 V CB -1.311 30.559 31.823 0.078 0.000 0.642 901 V HN 0.370 nan 8.190 nan 0.000 0.446 902 M N 0.175 119.750 119.600 -0.042 0.000 2.337 902 M HA -0.057 4.423 4.480 -0.000 0.000 0.261 902 M C 1.817 177.994 176.300 -0.206 0.000 1.067 902 M CA 1.651 56.920 55.300 -0.052 0.000 1.074 902 M CB -1.025 31.628 32.600 0.087 0.000 1.395 902 M HN 0.380 nan 8.290 nan 0.000 0.431 903 L N -1.989 118.947 121.223 -0.479 0.000 2.376 903 L HA -0.126 4.214 4.340 -0.000 0.000 0.219 903 L C 2.189 178.832 176.870 -0.378 0.000 1.133 903 L CA 0.196 54.608 54.840 -0.713 0.000 0.816 903 L CB -0.489 40.575 42.059 -1.658 0.000 0.933 903 L HN 0.146 nan 8.230 nan 0.000 0.449 904 V N -0.891 118.946 119.914 -0.129 0.000 2.548 904 V HA -0.191 3.929 4.120 -0.000 0.000 0.249 904 V C 2.376 178.532 176.094 0.104 0.000 1.055 904 V CA 1.218 63.630 62.300 0.187 0.000 1.065 904 V CB 0.342 32.282 31.823 0.195 0.000 0.681 904 V HN 0.177 nan 8.190 nan 0.000 0.462 905 V N 0.932 120.853 119.914 0.012 0.000 2.236 905 V HA -0.276 3.843 4.120 -0.000 0.000 0.255 905 V C 0.286 176.358 176.094 -0.036 0.000 1.068 905 V CA 3.169 65.454 62.300 -0.025 0.000 1.044 905 V CB -2.084 29.704 31.823 -0.058 0.000 0.653 905 V HN 0.511 nan 8.190 nan 0.000 0.448 906 P HA -0.164 nan 4.420 nan 0.000 0.217 906 P C 1.810 179.066 177.300 -0.074 0.000 1.148 906 P CA 1.429 64.463 63.100 -0.110 0.000 0.828 906 P CB -0.110 31.447 31.700 -0.239 0.000 0.783 907 L N -1.878 119.345 121.223 0.000 0.000 2.093 907 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 907 L C 2.544 179.435 176.870 0.034 0.000 1.085 907 L CA 1.787 56.647 54.840 0.033 0.000 0.755 907 L CB -1.393 40.744 42.059 0.131 0.000 0.904 907 L HN 0.094 nan 8.230 nan 0.000 0.435 908 G N -0.577 108.234 108.800 0.018 0.000 2.395 908 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.214 908 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.214 908 G C 1.587 176.482 174.900 -0.008 0.000 1.177 908 G CA 0.582 45.684 45.100 0.003 0.000 0.794 908 G HN 0.122 nan 8.290 nan 0.000 0.532 909 V N 1.263 121.153 119.914 -0.039 0.000 2.282 909 V HA -0.222 3.897 4.120 -0.000 0.000 0.249 909 V C 2.638 178.751 176.094 0.031 0.000 1.057 909 V CA 1.787 64.062 62.300 -0.042 0.000 1.032 909 V CB -0.512 31.257 31.823 -0.089 0.000 0.645 909 V HN 0.377 nan 8.190 nan 0.000 0.447 910 I N 1.155 121.741 120.570 0.025 0.000 2.248 910 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 910 I C 2.235 178.410 176.117 0.096 0.000 1.107 910 I CA 1.996 63.333 61.300 0.061 0.000 1.373 910 I CB -0.725 37.291 38.000 0.026 0.000 1.055 910 I HN 0.248 nan 8.210 nan 0.000 0.418 911 G N -0.453 108.396 108.800 0.082 0.000 2.394 911 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.215 911 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.215 911 G C 1.754 176.734 174.900 0.132 0.000 1.165 911 G CA 0.611 45.770 45.100 0.098 0.000 0.784 911 G HN 0.584 nan 8.290 nan 0.000 0.535 912 A N 0.674 123.572 122.820 0.130 0.000 1.908 912 A HA 0.044 4.363 4.320 -0.000 0.000 0.218 912 A C 2.429 180.224 177.584 0.352 0.000 1.181 912 A CA 1.375 53.532 52.037 0.200 0.000 0.627 912 A CB -0.397 18.640 19.000 0.061 0.000 0.818 912 A HN 0.364 nan 8.150 nan 0.000 0.445 913 L N -0.933 120.474 121.223 0.306 0.000 2.072 913 L HA -0.122 4.218 4.340 -0.000 0.000 0.205 913 L C 2.531 179.515 176.870 0.189 0.000 1.079 913 L CA 0.822 55.821 54.840 0.266 0.000 0.752 913 L CB -0.560 41.628 42.059 0.216 0.000 0.906 913 L HN 0.340 nan 8.230 nan 0.000 0.436 914 L N -0.169 121.182 121.223 0.213 0.000 2.046 914 L HA -0.196 4.143 4.340 -0.000 0.000 0.208 914 L C 2.913 179.987 176.870 0.339 0.000 1.077 914 L CA 1.210 56.231 54.840 0.302 0.000 0.747 914 L CB -0.717 41.477 42.059 0.225 0.000 0.896 914 L HN 0.243 nan 8.230 nan 0.000 0.432 915 A N -0.055 122.895 122.820 0.217 0.000 1.877 915 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 915 A C 2.512 180.197 177.584 0.169 0.000 1.186 915 A CA 1.823 53.970 52.037 0.183 0.000 0.620 915 A CB -0.746 18.345 19.000 0.152 0.000 0.822 915 A HN 0.402 nan 8.150 nan 0.000 0.443 916 A N -1.106 121.786 122.820 0.121 0.000 1.898 916 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 916 A C 2.281 179.836 177.584 -0.049 0.000 1.181 916 A CA 2.179 54.200 52.037 -0.027 0.000 0.620 916 A CB -1.267 17.552 19.000 -0.302 0.000 0.819 916 A HN 0.424 nan 8.150 nan 0.000 0.442 917 T N -0.835 113.704 114.554 -0.024 0.000 2.833 917 T HA -0.092 4.257 4.350 -0.000 0.000 0.269 917 T C 1.334 175.959 174.700 -0.124 0.000 1.054 917 T CA 1.530 63.569 62.100 -0.101 0.000 1.135 917 T CB -0.368 68.434 68.868 -0.109 0.000 0.869 917 T HN 0.432 nan 8.240 nan 0.000 0.466 918 F N 0.363 120.305 119.950 -0.013 0.000 2.619 918 F HA 0.286 4.812 4.527 -0.000 0.000 0.293 918 F C 2.311 178.111 175.800 -0.000 0.000 1.119 918 F CA 0.078 58.079 58.000 0.002 0.000 1.445 918 F CB 0.106 39.117 39.000 0.019 0.000 1.119 918 F HN -0.122 nan 8.300 nan 0.000 0.573 919 R N 0.638 121.233 120.500 0.158 0.000 2.297 919 R HA 0.212 4.552 4.340 -0.000 0.000 0.197 919 R C 1.141 177.464 176.300 0.038 0.000 0.943 919 R CA 0.820 56.976 56.100 0.092 0.000 1.038 919 R CB -0.383 29.962 30.300 0.074 0.000 0.957 919 R HN 0.161 nan 8.270 nan 0.000 0.484 920 G N 0.509 109.309 108.800 0.001 0.000 2.225 920 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.264 920 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.264 920 G C -0.207 174.668 174.900 -0.042 0.000 1.060 920 G CA 0.532 45.612 45.100 -0.032 0.000 0.833 920 G HN 0.237 nan 8.290 nan 0.000 0.498 921 L N -0.680 120.501 121.223 -0.070 0.000 2.578 921 L HA 0.896 5.236 4.340 -0.000 0.000 0.259 921 L C 1.206 177.974 176.870 -0.169 0.000 1.082 921 L CA -0.322 54.466 54.840 -0.088 0.000 0.843 921 L CB 1.391 43.405 42.059 -0.076 0.000 1.535 921 L HN 0.447 nan 8.230 nan 0.000 0.510 922 T N -3.529 110.911 114.554 -0.190 0.000 2.838 922 T HA 0.270 4.620 4.350 -0.000 0.000 0.292 922 T C -0.487 174.002 174.700 -0.353 0.000 1.113 922 T CA -0.770 61.183 62.100 -0.246 0.000 1.008 922 T CB 1.495 70.290 68.868 -0.122 0.000 1.259 922 T HN 0.356 nan 8.240 nan 0.000 0.520 923 N N 2.496 121.007 118.700 -0.315 0.000 2.663 923 N HA 0.202 4.942 4.740 -0.000 0.000 0.250 923 N C -0.950 174.573 175.510 0.023 0.000 1.129 923 N CA -0.206 52.737 53.050 -0.178 0.000 0.995 923 N CB -0.314 38.060 38.487 -0.188 0.000 1.324 923 N HN 0.767 nan 8.380 nan 0.000 0.512 924 D N -0.236 120.224 120.400 0.100 0.000 2.616 924 D HA 0.140 4.780 4.640 -0.000 0.000 0.260 924 D C 1.367 177.717 176.300 0.084 0.000 1.158 924 D CA -0.712 53.332 54.000 0.073 0.000 1.085 924 D CB 0.213 41.038 40.800 0.041 0.000 1.222 924 D HN -0.057 nan 8.370 nan 0.000 0.626 925 V N -0.729 119.118 119.914 -0.111 0.000 2.332 925 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 925 V C 2.123 178.193 176.094 -0.040 0.000 1.055 925 V CA 1.688 63.890 62.300 -0.164 0.000 1.038 925 V CB -1.004 30.506 31.823 -0.521 0.000 0.651 925 V HN 0.502 nan 8.190 nan 0.000 0.450 926 Y N -1.860 118.469 120.300 0.047 0.000 2.274 926 Y HA -0.246 4.304 4.550 -0.001 0.000 0.290 926 Y C 2.283 178.225 175.900 0.070 0.000 1.145 926 Y CA 1.679 59.802 58.100 0.038 0.000 1.203 926 Y CB -0.271 38.225 38.460 0.061 0.000 0.984 926 Y HN 0.272 nan 8.280 nan 0.000 0.533 927 F N 1.192 121.222 119.950 0.132 0.000 2.206 927 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 927 F C 2.150 178.005 175.800 0.093 0.000 1.090 927 F CA 1.358 59.409 58.000 0.086 0.000 1.323 927 F CB -0.452 38.583 39.000 0.059 0.000 1.028 927 F HN 0.029 nan 8.300 nan 0.000 0.492 928 Q N -0.462 119.439 119.800 0.168 0.000 2.135 928 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 928 Q C 2.221 178.205 176.000 -0.027 0.000 0.981 928 Q CA 1.944 57.841 55.803 0.157 0.000 0.856 928 Q CB -0.544 28.317 28.738 0.204 0.000 0.902 928 Q HN 0.334 nan 8.270 nan 0.000 0.425 929 V N 0.422 120.279 119.914 -0.096 0.000 2.548 929 V HA -0.122 3.998 4.120 -0.000 0.000 0.249 929 V C 2.186 178.169 176.094 -0.186 0.000 1.055 929 V CA 1.734 63.888 62.300 -0.244 0.000 1.065 929 V CB -0.953 30.603 31.823 -0.445 0.000 0.681 929 V HN 0.504 nan 8.190 nan 0.000 0.462 930 G N -0.148 108.553 108.800 -0.165 0.000 2.408 930 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.217 930 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.217 930 G C 1.580 176.316 174.900 -0.272 0.000 1.150 930 G CA 0.664 45.661 45.100 -0.172 0.000 0.776 930 G HN 0.442 nan 8.290 nan 0.000 0.542 931 L N -0.104 120.877 121.223 -0.404 0.000 2.027 931 L HA 0.014 4.353 4.340 -0.000 0.000 0.206 931 L C 2.922 179.630 176.870 -0.270 0.000 1.074 931 L CA 0.607 55.210 54.840 -0.395 0.000 0.745 931 L CB -0.431 41.319 42.059 -0.514 0.000 0.898 931 L HN 0.182 nan 8.230 nan 0.000 0.433 932 L N -0.669 120.416 121.223 -0.231 0.000 2.079 932 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 932 L C 2.586 179.208 176.870 -0.414 0.000 1.081 932 L CA 1.639 56.275 54.840 -0.340 0.000 0.752 932 L CB -1.001 40.748 42.059 -0.516 0.000 0.896 932 L HN 0.325 nan 8.230 nan 0.000 0.433 933 T N -1.588 112.798 114.554 -0.280 0.000 2.821 933 T HA -0.150 4.199 4.350 -0.000 0.000 0.267 933 T C 1.880 176.522 174.700 -0.097 0.000 1.046 933 T CA 1.744 63.820 62.100 -0.040 0.000 1.139 933 T CB -0.327 68.639 68.868 0.163 0.000 0.871 933 T HN 0.371 nan 8.240 nan 0.000 0.454 934 T N 2.428 116.899 114.554 -0.138 0.000 2.777 934 T HA 0.046 4.395 4.350 -0.000 0.000 0.266 934 T C 2.000 176.626 174.700 -0.124 0.000 1.040 934 T CA 0.813 62.834 62.100 -0.132 0.000 1.141 934 T CB -0.448 68.342 68.868 -0.130 0.000 0.868 934 T HN 0.344 nan 8.240 nan 0.000 0.444 935 I N 1.442 121.925 120.570 -0.145 0.000 2.151 935 I HA -0.199 3.970 4.170 -0.000 0.000 0.243 935 I C 2.890 178.956 176.117 -0.085 0.000 1.080 935 I CA 1.553 62.784 61.300 -0.115 0.000 1.339 935 I CB -0.835 37.084 38.000 -0.134 0.000 1.039 935 I HN 0.337 nan 8.210 nan 0.000 0.409 936 G N 0.874 109.617 108.800 -0.094 0.000 2.404 936 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.215 936 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.215 936 G C 1.707 176.574 174.900 -0.056 0.000 1.174 936 G CA 0.384 45.462 45.100 -0.037 0.000 0.780 936 G HN 0.252 nan 8.290 nan 0.000 0.537 937 L N 0.717 121.873 121.223 -0.112 0.000 2.046 937 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 937 L C 3.225 180.032 176.870 -0.105 0.000 1.077 937 L CA 1.269 56.005 54.840 -0.174 0.000 0.747 937 L CB -0.462 41.414 42.059 -0.305 0.000 0.896 937 L HN 0.187 nan 8.230 nan 0.000 0.432 938 S N 0.005 115.662 115.700 -0.072 0.000 2.356 938 S HA -0.180 4.290 4.470 -0.000 0.000 0.223 938 S C 2.214 176.812 174.600 -0.002 0.000 1.032 938 S CA 1.250 59.435 58.200 -0.024 0.000 1.005 938 S CB -0.362 62.832 63.200 -0.011 0.000 0.867 938 S HN 0.494 nan 8.310 nan 0.000 0.449 939 A N 1.860 124.676 122.820 -0.007 0.000 1.940 939 A HA -0.198 4.121 4.320 -0.000 0.000 0.219 939 A C 2.027 179.620 177.584 0.015 0.000 1.176 939 A CA 1.872 53.918 52.037 0.015 0.000 0.631 939 A CB -0.593 18.415 19.000 0.014 0.000 0.814 939 A HN 0.453 nan 8.150 nan 0.000 0.446 940 K N -0.472 119.922 120.400 -0.011 0.000 2.044 940 K HA -0.240 4.080 4.320 -0.000 0.000 0.210 940 K C 1.697 178.286 176.600 -0.019 0.000 1.049 940 K CA 1.870 58.146 56.287 -0.018 0.000 0.927 940 K CB -0.273 32.196 32.500 -0.051 0.000 0.713 940 K HN 0.446 nan 8.250 nan 0.000 0.443 941 N N 0.592 119.277 118.700 -0.027 0.000 2.142 941 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 941 N C 1.686 177.189 175.510 -0.012 0.000 1.023 941 N CA 1.362 54.393 53.050 -0.031 0.000 0.852 941 N CB -0.492 37.976 38.487 -0.031 0.000 0.998 941 N HN 0.298 nan 8.380 nan 0.000 0.424 942 A N 1.699 124.534 122.820 0.024 0.000 1.908 942 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 942 A C 2.128 179.717 177.584 0.009 0.000 1.181 942 A CA 0.996 53.062 52.037 0.048 0.000 0.627 942 A CB -0.579 18.477 19.000 0.093 0.000 0.818 942 A HN 0.132 nan 8.150 nan 0.000 0.445 943 I N 0.040 120.621 120.570 0.019 0.000 2.091 943 I HA -0.268 3.902 4.170 -0.000 0.000 0.239 943 I C 2.466 178.567 176.117 -0.027 0.000 1.061 943 I CA 1.499 62.811 61.300 0.020 0.000 1.317 943 I CB -1.444 36.600 38.000 0.072 0.000 1.031 943 I HN 0.315 nan 8.210 nan 0.000 0.401 944 L N -0.195 121.011 121.223 -0.028 0.000 2.351 944 L HA -0.230 4.110 4.340 -0.000 0.000 0.220 944 L C 2.395 179.216 176.870 -0.082 0.000 1.127 944 L CA 1.137 55.947 54.840 -0.050 0.000 0.786 944 L CB -0.292 41.724 42.059 -0.073 0.000 0.914 944 L HN 0.254 nan 8.230 nan 0.000 0.443 945 I N -2.059 118.455 120.570 -0.094 0.000 2.726 945 I HA -0.135 4.035 4.170 -0.000 0.000 0.243 945 I C 2.318 178.309 176.117 -0.210 0.000 1.082 945 I CA 0.317 61.538 61.300 -0.131 0.000 1.447 945 I CB -0.117 37.820 38.000 -0.104 0.000 1.250 945 I HN -0.135 nan 8.210 nan 0.000 0.453 946 V N 1.521 121.279 119.914 -0.260 0.000 2.219 946 V HA -0.344 3.776 4.120 -0.000 0.000 0.248 946 V C 2.497 178.322 176.094 -0.448 0.000 1.053 946 V CA 2.533 64.543 62.300 -0.484 0.000 1.009 946 V CB -0.847 30.815 31.823 -0.269 0.000 0.636 946 V HN 0.545 nan 8.190 nan 0.000 0.445 947 E N 0.421 120.421 120.200 -0.333 0.000 2.119 947 E HA -0.354 3.996 4.350 -0.000 0.000 0.221 947 E C 1.904 178.366 176.600 -0.230 0.000 1.062 947 E CA 2.699 58.890 56.400 -0.349 0.000 0.894 947 E CB -0.886 28.705 29.700 -0.181 0.000 0.785 947 E HN 0.463 nan 8.360 nan 0.000 0.472 948 F N 0.533 120.328 119.950 -0.259 0.000 2.046 948 F HA -0.180 4.347 4.527 -0.000 0.000 0.297 948 F C 2.376 178.035 175.800 -0.236 0.000 1.123 948 F CA 2.301 60.178 58.000 -0.205 0.000 1.199 948 F CB -1.066 37.833 39.000 -0.168 0.000 0.972 948 F HN 0.222 nan 8.300 nan 0.000 0.474 949 A N 0.786 123.559 122.820 -0.078 0.000 1.859 949 A HA -0.378 3.942 4.320 -0.000 0.000 0.218 949 A C 2.059 179.522 177.584 -0.201 0.000 1.209 949 A CA 2.943 54.848 52.037 -0.220 0.000 0.639 949 A CB -1.169 17.456 19.000 -0.627 0.000 0.835 949 A HN 0.527 nan 8.150 nan 0.000 0.450 950 K N -0.149 120.069 120.400 -0.303 0.000 2.209 950 K HA -0.153 4.167 4.320 -0.000 0.000 0.204 950 K C 1.302 177.851 176.600 -0.086 0.000 1.048 950 K CA 2.180 58.458 56.287 -0.015 0.000 0.940 950 K CB -0.489 32.032 32.500 0.036 0.000 0.729 950 K HN 0.424 nan 8.250 nan 0.000 0.451 951 D N -0.456 119.829 120.400 -0.193 0.000 2.234 951 D HA -0.030 4.610 4.640 -0.000 0.000 0.205 951 D C 1.441 177.604 176.300 -0.229 0.000 0.962 951 D CA 0.416 54.284 54.000 -0.220 0.000 0.855 951 D CB 0.118 40.735 40.800 -0.305 0.000 0.951 951 D HN 0.156 nan 8.370 nan 0.000 0.500 952 L N 0.224 121.307 121.223 -0.234 0.000 2.478 952 L HA 0.123 4.462 4.340 -0.000 0.000 0.223 952 L C 1.456 178.279 176.870 -0.079 0.000 1.140 952 L CA 0.843 55.573 54.840 -0.183 0.000 0.842 952 L CB -0.415 41.569 42.059 -0.125 0.000 0.953 952 L HN 0.281 nan 8.230 nan 0.000 0.452 953 M N -1.807 117.766 119.600 -0.045 0.000 2.510 953 M HA -0.017 4.462 4.480 -0.000 0.000 0.256 953 M C 0.988 177.276 176.300 -0.020 0.000 1.132 953 M CA 0.454 55.751 55.300 -0.004 0.000 1.105 953 M CB 0.133 32.761 32.600 0.048 0.000 1.375 953 M HN 0.037 nan 8.290 nan 0.000 0.477 954 D N 0.570 120.943 120.400 -0.045 0.000 2.845 954 D HA -0.027 4.613 4.640 -0.000 0.000 0.272 954 D C 1.654 177.922 176.300 -0.054 0.000 1.275 954 D CA 0.817 54.791 54.000 -0.043 0.000 1.029 954 D CB -0.346 40.425 40.800 -0.048 0.000 1.131 954 D HN 0.107 nan 8.370 nan 0.000 0.423 955 K N 0.635 120.989 120.400 -0.078 0.000 2.281 955 K HA -0.152 4.167 4.320 -0.000 0.000 0.203 955 K C 1.255 177.813 176.600 -0.070 0.000 1.046 955 K CA 1.301 57.541 56.287 -0.078 0.000 0.938 955 K CB 0.235 32.671 32.500 -0.106 0.000 0.737 955 K HN 0.029 nan 8.250 nan 0.000 0.458 956 E N -1.230 118.926 120.200 -0.074 0.000 2.641 956 E HA 0.117 4.466 4.350 -0.000 0.000 0.224 956 E C -0.052 176.525 176.600 -0.038 0.000 0.951 956 E CA 0.377 56.742 56.400 -0.057 0.000 1.102 956 E CB 0.780 30.437 29.700 -0.071 0.000 1.091 956 E HN 0.397 nan 8.360 nan 0.000 0.507 957 G N 3.028 111.808 108.800 -0.035 0.000 2.396 957 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.288 957 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.288 957 G C -0.037 174.857 174.900 -0.010 0.000 0.926 957 G CA 1.227 46.315 45.100 -0.019 0.000 1.211 957 G HN 0.182 nan 8.290 nan 0.000 0.496 958 K N -0.391 120.005 120.400 -0.006 0.000 2.520 958 K HA 0.611 4.931 4.320 -0.000 0.000 0.256 958 K C 1.232 177.841 176.600 0.015 0.000 1.033 958 K CA -0.286 56.002 56.287 0.003 0.000 1.007 958 K CB 0.652 33.155 32.500 0.005 0.000 1.330 958 K HN 0.271 nan 8.250 nan 0.000 0.507 959 G N 0.461 109.272 108.800 0.017 0.000 2.476 959 G HA2 0.078 4.038 3.960 -0.000 0.000 0.286 959 G HA3 0.078 4.038 3.960 -0.000 0.000 0.286 959 G C 0.784 175.709 174.900 0.043 0.000 1.177 959 G CA -0.572 44.541 45.100 0.022 0.000 0.870 959 G HN 0.491 nan 8.290 nan 0.000 0.528 960 L N 1.117 122.364 121.223 0.040 0.000 1.978 960 L HA -0.154 4.185 4.340 -0.000 0.000 0.218 960 L C 2.531 179.449 176.870 0.080 0.000 1.075 960 L CA 1.902 56.778 54.840 0.059 0.000 0.767 960 L CB -0.505 41.557 42.059 0.006 0.000 0.890 960 L HN 0.442 nan 8.230 nan 0.000 0.434 961 I N 0.231 120.823 120.570 0.038 0.000 2.179 961 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 961 I C 2.619 178.749 176.117 0.023 0.000 1.088 961 I CA 1.412 62.727 61.300 0.025 0.000 1.357 961 I CB -1.053 36.945 38.000 -0.002 0.000 1.051 961 I HN 0.471 nan 8.210 nan 0.000 0.409 962 E N 1.117 121.329 120.200 0.019 0.000 2.023 962 E HA -0.236 4.113 4.350 -0.000 0.000 0.196 962 E C 2.312 178.927 176.600 0.025 0.000 1.003 962 E CA 1.632 58.039 56.400 0.011 0.000 0.809 962 E CB -0.017 29.688 29.700 0.009 0.000 0.755 962 E HN 0.377 nan 8.360 nan 0.000 0.449 963 A N 0.422 123.271 122.820 0.047 0.000 1.915 963 A HA -0.288 4.031 4.320 -0.000 0.000 0.220 963 A C 2.425 180.044 177.584 0.058 0.000 1.198 963 A CA 2.641 54.714 52.037 0.060 0.000 0.647 963 A CB -1.362 17.685 19.000 0.077 0.000 0.825 963 A HN 0.439 nan 8.150 nan 0.000 0.456 964 T N 0.385 114.983 114.554 0.072 0.000 2.622 964 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 964 T C 1.826 176.509 174.700 -0.028 0.000 1.047 964 T CA 1.565 63.686 62.100 0.034 0.000 1.159 964 T CB -0.464 68.469 68.868 0.107 0.000 0.863 964 T HN 0.387 nan 8.240 nan 0.000 0.422 965 L N 0.546 121.747 121.223 -0.037 0.000 2.079 965 L HA -0.162 4.177 4.340 -0.000 0.000 0.210 965 L C 2.331 179.150 176.870 -0.084 0.000 1.081 965 L CA 1.463 56.251 54.840 -0.087 0.000 0.752 965 L CB -0.603 41.408 42.059 -0.079 0.000 0.896 965 L HN 0.272 nan 8.230 nan 0.000 0.433 966 D N -0.294 120.086 120.400 -0.033 0.000 2.123 966 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 966 D C 2.246 178.513 176.300 -0.055 0.000 0.976 966 D CA 1.213 55.203 54.000 -0.018 0.000 0.831 966 D CB 0.026 40.860 40.800 0.055 0.000 0.974 966 D HN 0.294 nan 8.370 nan 0.000 0.469 967 A N 0.238 123.052 122.820 -0.010 0.000 1.858 967 A HA -0.145 4.174 4.320 -0.000 0.000 0.216 967 A C 2.336 179.762 177.584 -0.264 0.000 1.190 967 A CA 1.026 52.975 52.037 -0.146 0.000 0.617 967 A CB -1.002 18.031 19.000 0.055 0.000 0.827 967 A HN 0.151 nan 8.150 nan 0.000 0.443 968 V N 0.097 119.921 119.914 -0.150 0.000 2.660 968 V HA -0.254 3.866 4.120 -0.000 0.000 0.257 968 V C 2.647 178.716 176.094 -0.043 0.000 1.088 968 V CA 2.394 64.640 62.300 -0.089 0.000 1.106 968 V CB -0.766 30.981 31.823 -0.128 0.000 0.686 968 V HN 0.677 nan 8.190 nan 0.000 0.481 969 R N -0.643 119.773 120.500 -0.140 0.000 2.090 969 R HA 0.011 4.351 4.340 -0.000 0.000 0.219 969 R C 2.165 178.339 176.300 -0.210 0.000 1.100 969 R CA 1.095 57.107 56.100 -0.147 0.000 0.991 969 R CB -0.092 30.107 30.300 -0.169 0.000 0.893 969 R HN 0.444 nan 8.270 nan 0.000 0.443 970 M N -0.222 119.198 119.600 -0.300 0.000 2.388 970 M HA 0.068 4.547 4.480 -0.000 0.000 0.265 970 M C 1.519 177.586 176.300 -0.387 0.000 1.088 970 M CA 0.862 55.942 55.300 -0.366 0.000 1.134 970 M CB 0.252 32.549 32.600 -0.504 0.000 1.384 970 M HN -0.081 nan 8.290 nan 0.000 0.447 971 R N 0.667 120.921 120.500 -0.410 0.000 2.317 971 R HA 0.188 4.528 4.340 -0.000 0.000 0.208 971 R C 1.959 178.135 176.300 -0.208 0.000 0.914 971 R CA 0.173 56.078 56.100 -0.325 0.000 1.060 971 R CB -0.402 29.688 30.300 -0.349 0.000 1.015 971 R HN 0.372 nan 8.270 nan 0.000 0.498 972 L N 1.002 122.123 121.223 -0.170 0.000 2.012 972 L HA -0.166 4.173 4.340 -0.000 0.000 0.210 972 L C 2.199 179.024 176.870 -0.075 0.000 1.073 972 L CA 1.900 56.638 54.840 -0.170 0.000 0.748 972 L CB -0.375 41.567 42.059 -0.195 0.000 0.891 972 L HN 0.124 nan 8.230 nan 0.000 0.431 973 R N 0.126 120.635 120.500 0.014 0.000 2.057 973 R HA -0.072 4.268 4.340 -0.000 0.000 0.229 973 R C -0.356 175.811 176.300 -0.222 0.000 1.136 973 R CA 1.533 57.672 56.100 0.065 0.000 0.952 973 R CB -1.029 29.399 30.300 0.213 0.000 0.848 973 R HN 0.325 nan 8.270 nan 0.000 0.430 974 P HA -0.179 nan 4.420 nan 0.000 0.218 974 P C 1.304 178.475 177.300 -0.214 0.000 1.148 974 P CA 1.458 64.431 63.100 -0.212 0.000 0.822 974 P CB -0.105 31.500 31.700 -0.158 0.000 0.784 975 I N -1.358 119.100 120.570 -0.188 0.000 2.315 975 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 975 I C 2.266 178.278 176.117 -0.174 0.000 1.117 975 I CA 0.961 62.163 61.300 -0.163 0.000 1.404 975 I CB -0.483 37.422 38.000 -0.157 0.000 1.071 975 I HN -0.115 nan 8.210 nan 0.000 0.419 976 L N -0.487 120.602 121.223 -0.224 0.000 2.179 976 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 976 L C 2.352 179.005 176.870 -0.363 0.000 1.096 976 L CA 1.618 56.325 54.840 -0.222 0.000 0.779 976 L CB -0.518 41.447 42.059 -0.158 0.000 0.922 976 L HN 0.176 nan 8.230 nan 0.000 0.443 977 M N -1.094 118.138 119.600 -0.613 0.000 2.077 977 M HA -0.171 4.309 4.480 -0.000 0.000 0.261 977 M C 2.194 178.359 176.300 -0.224 0.000 1.070 977 M CA 2.226 57.157 55.300 -0.614 0.000 1.125 977 M CB -0.724 31.492 32.600 -0.640 0.000 1.339 977 M HN 0.401 nan 8.290 nan 0.000 0.409 978 T N -2.633 111.819 114.554 -0.171 0.000 3.007 978 T HA -0.009 4.341 4.350 -0.000 0.000 0.270 978 T C 1.753 176.450 174.700 -0.005 0.000 1.107 978 T CA 1.514 63.574 62.100 -0.067 0.000 1.118 978 T CB -0.253 68.573 68.868 -0.071 0.000 0.889 978 T HN 0.180 nan 8.240 nan 0.000 0.506 979 S N 0.748 116.432 115.700 -0.026 0.000 2.387 979 S HA 0.259 4.728 4.470 -0.000 0.000 0.221 979 S C 1.852 176.519 174.600 0.111 0.000 1.041 979 S CA 0.130 58.353 58.200 0.038 0.000 0.959 979 S CB -0.220 62.978 63.200 -0.002 0.000 0.843 979 S HN 0.257 nan 8.310 nan 0.000 0.488 980 L N 1.718 122.987 121.223 0.077 0.000 2.141 980 L HA 0.053 4.392 4.340 -0.000 0.000 0.209 980 L C 2.653 179.588 176.870 0.109 0.000 1.094 980 L CA 1.404 56.312 54.840 0.113 0.000 0.763 980 L CB -1.785 40.367 42.059 0.156 0.000 0.908 980 L HN 0.279 nan 8.230 nan 0.000 0.437 981 A N -0.347 122.530 122.820 0.095 0.000 1.883 981 A HA -0.298 4.022 4.320 -0.000 0.000 0.217 981 A C 2.235 179.883 177.584 0.106 0.000 1.186 981 A CA 1.843 53.934 52.037 0.089 0.000 0.624 981 A CB -0.882 18.160 19.000 0.070 0.000 0.822 981 A HN 0.371 nan 8.150 nan 0.000 0.444 982 F N 0.352 120.309 119.950 0.012 0.000 2.128 982 F HA -0.053 4.474 4.527 -0.001 0.000 0.295 982 F C 1.963 177.776 175.800 0.022 0.000 1.100 982 F CA 1.544 59.553 58.000 0.015 0.000 1.260 982 F CB -0.187 38.819 39.000 0.010 0.000 1.009 982 F HN 0.152 nan 8.300 nan 0.000 0.476 983 I N 0.162 120.822 120.570 0.151 0.000 2.423 983 I HA -0.306 3.863 4.170 -0.000 0.000 0.254 983 I C 1.985 178.074 176.117 -0.048 0.000 1.151 983 I CA 1.065 62.399 61.300 0.056 0.000 1.421 983 I CB -0.345 37.732 38.000 0.128 0.000 1.079 983 I HN 0.265 nan 8.210 nan 0.000 0.431 984 L N -0.534 120.669 121.223 -0.033 0.000 2.354 984 L HA 0.118 4.458 4.340 -0.000 0.000 0.212 984 L C 2.515 179.338 176.870 -0.079 0.000 1.091 984 L CA 0.746 55.567 54.840 -0.032 0.000 0.828 984 L CB -0.692 41.378 42.059 0.017 0.000 0.973 984 L HN 0.234 nan 8.230 nan 0.000 0.461 985 G N -0.537 108.184 108.800 -0.133 0.000 2.448 985 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.218 985 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.218 985 G C 1.435 176.199 174.900 -0.227 0.000 1.135 985 G CA 0.486 45.495 45.100 -0.151 0.000 0.784 985 G HN 0.184 nan 8.290 nan 0.000 0.543 986 V N 0.440 120.138 119.914 -0.359 0.000 3.608 986 V HA 0.149 4.268 4.120 -0.000 0.000 0.269 986 V C 2.370 178.355 176.094 -0.182 0.000 1.245 986 V CA 1.235 63.331 62.300 -0.340 0.000 1.138 986 V CB 0.138 31.627 31.823 -0.558 0.000 0.841 986 V HN 0.403 nan 8.190 nan 0.000 0.451 987 M N 1.885 121.406 119.600 -0.132 0.000 2.163 987 M HA -0.109 4.371 4.480 -0.000 0.000 0.258 987 M C -0.377 175.888 176.300 -0.058 0.000 1.071 987 M CA 2.845 58.102 55.300 -0.071 0.000 1.093 987 M CB -1.467 31.106 32.600 -0.044 0.000 1.285 987 M HN 0.184 nan 8.290 nan 0.000 0.420 988 P HA -0.184 nan 4.420 nan 0.000 0.217 988 P C 1.657 178.926 177.300 -0.051 0.000 1.151 988 P CA 1.561 64.634 63.100 -0.044 0.000 0.849 988 P CB -0.335 31.340 31.700 -0.043 0.000 0.787 989 L N -1.478 119.699 121.223 -0.076 0.000 2.046 989 L HA -0.150 4.189 4.340 -0.000 0.000 0.208 989 L C 2.305 179.124 176.870 -0.084 0.000 1.077 989 L CA 1.366 56.145 54.840 -0.102 0.000 0.747 989 L CB -1.063 40.901 42.059 -0.157 0.000 0.896 989 L HN -0.117 nan 8.230 nan 0.000 0.432 990 V N -0.301 119.574 119.914 -0.065 0.000 2.548 990 V HA -0.189 3.930 4.120 -0.000 0.000 0.249 990 V C 2.035 178.119 176.094 -0.016 0.000 1.055 990 V CA 1.078 63.357 62.300 -0.035 0.000 1.065 990 V CB -0.205 31.605 31.823 -0.020 0.000 0.681 990 V HN 0.326 nan 8.190 nan 0.000 0.462 991 I N -0.623 119.936 120.570 -0.018 0.000 3.728 991 I HA 0.112 4.282 4.170 -0.000 0.000 0.307 991 I C 1.338 177.454 176.117 -0.001 0.000 1.276 991 I CA 0.354 61.651 61.300 -0.005 0.000 1.285 991 I CB -0.783 37.214 38.000 -0.005 0.000 1.038 991 I HN 0.236 nan 8.210 nan 0.000 0.445 992 S N 1.321 117.015 115.700 -0.010 0.000 2.558 992 S HA 0.035 4.504 4.470 -0.000 0.000 0.293 992 S C 0.370 174.981 174.600 0.018 0.000 1.292 992 S CA 0.531 58.730 58.200 -0.002 0.000 1.063 992 S CB 0.186 63.380 63.200 -0.010 0.000 0.831 992 S HN 0.325 nan 8.310 nan 0.000 0.499 993 T N 4.001 118.571 114.554 0.027 0.000 2.841 993 T HA 0.665 5.015 4.350 -0.000 0.000 0.283 993 T C 0.239 174.979 174.700 0.066 0.000 1.000 993 T CA 0.510 62.639 62.100 0.049 0.000 0.977 993 T CB 1.061 69.958 68.868 0.048 0.000 0.979 993 T HN 1.346 nan 8.240 nan 0.000 0.446 994 G N 2.214 111.073 108.800 0.099 0.000 3.226 994 G HA2 0.247 4.207 3.960 -0.000 0.000 0.668 994 G HA3 0.247 4.207 3.960 -0.000 0.000 0.668 994 G C 0.351 175.311 174.900 0.101 0.000 1.647 994 G CA -0.235 44.952 45.100 0.145 0.000 1.202 994 G HN 2.142 nan 8.290 nan 0.000 0.598 995 A N 0.100 123.014 122.820 0.157 0.000 2.165 995 A HA 0.439 4.759 4.320 -0.000 0.000 0.272 995 A C 2.317 179.927 177.584 0.044 0.000 1.398 995 A CA 1.481 53.522 52.037 0.006 0.000 0.726 995 A CB -1.434 17.268 19.000 -0.495 0.000 1.179 995 A HN 3.434 nan 8.150 nan 0.000 0.327 996 G N -0.304 108.651 108.800 0.259 0.000 2.234 996 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.235 996 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.235 996 G C 1.801 176.806 174.900 0.174 0.000 0.997 996 G CA 1.393 46.619 45.100 0.210 0.000 0.623 996 G HN 2.447 nan 8.290 nan 0.000 0.514 997 S N 0.890 116.664 115.700 0.122 0.000 2.528 997 S HA 0.208 4.677 4.470 -0.000 0.000 0.244 997 S C 2.325 176.972 174.600 0.077 0.000 0.982 997 S CA 1.477 59.722 58.200 0.075 0.000 0.953 997 S CB -0.519 62.718 63.200 0.063 0.000 0.754 997 S HN 1.601 nan 8.310 nan 0.000 0.529 998 G N 1.831 110.714 108.800 0.137 0.000 2.464 998 G HA2 0.073 4.033 3.960 -0.000 0.000 0.214 998 G HA3 0.073 4.033 3.960 -0.000 0.000 0.214 998 G C 1.696 176.655 174.900 0.099 0.000 1.218 998 G CA 0.723 45.907 45.100 0.139 0.000 0.794 998 G HN 0.750 nan 8.290 nan 0.000 0.542 999 A N 0.123 123.027 122.820 0.141 0.000 1.902 999 A HA -0.063 4.256 4.320 -0.000 0.000 0.217 999 A C 2.343 179.652 177.584 -0.458 0.000 1.181 999 A CA 1.964 53.964 52.037 -0.062 0.000 0.623 999 A CB -0.504 18.668 19.000 0.287 0.000 0.818 999 A HN 0.461 nan 8.150 nan 0.000 0.443 1000 Q N -0.222 119.422 119.800 -0.260 0.000 2.045 1000 Q HA -0.231 4.109 4.340 -0.000 0.000 0.206 1000 Q C 2.008 177.826 176.000 -0.303 0.000 0.991 1000 Q CA 1.878 57.447 55.803 -0.391 0.000 0.851 1000 Q CB -0.396 28.275 28.738 -0.112 0.000 0.911 1000 Q HN 0.800 nan 8.270 nan 0.000 0.418 1001 N N 0.148 118.764 118.700 -0.141 0.000 2.094 1001 N HA -0.188 4.551 4.740 -0.000 0.000 0.191 1001 N C 1.756 177.216 175.510 -0.082 0.000 1.023 1001 N CA 0.835 53.837 53.050 -0.080 0.000 0.857 1001 N CB -0.134 38.345 38.487 -0.014 0.000 1.013 1001 N HN 0.213 nan 8.380 nan 0.000 0.426 1002 A N 0.700 123.458 122.820 -0.103 0.000 1.968 1002 A HA -0.029 4.290 4.320 -0.000 0.000 0.217 1002 A C 2.379 179.919 177.584 -0.074 0.000 1.169 1002 A CA 0.848 52.872 52.037 -0.022 0.000 0.638 1002 A CB -0.401 18.662 19.000 0.104 0.000 0.812 1002 A HN 0.087 nan 8.150 nan 0.000 0.446 1003 V N -0.554 119.152 119.914 -0.347 0.000 2.358 1003 V HA -0.107 4.013 4.120 -0.000 0.000 0.246 1003 V C 2.629 178.640 176.094 -0.139 0.000 1.047 1003 V CA 2.032 64.133 62.300 -0.331 0.000 1.035 1003 V CB -0.941 30.439 31.823 -0.737 0.000 0.658 1003 V HN 0.597 nan 8.190 nan 0.000 0.452 1004 G N -1.286 107.425 108.800 -0.149 0.000 2.545 1004 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.212 1004 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.212 1004 G C 1.573 176.476 174.900 0.005 0.000 1.144 1004 G CA 0.934 45.991 45.100 -0.073 0.000 0.813 1004 G HN 0.411 nan 8.290 nan 0.000 0.531 1005 T N 1.469 116.035 114.554 0.020 0.000 2.516 1005 T HA -0.150 4.200 4.350 -0.000 0.000 0.261 1005 T C 2.502 177.281 174.700 0.131 0.000 1.130 1005 T CA 1.925 64.066 62.100 0.068 0.000 1.193 1005 T CB -0.995 67.915 68.868 0.070 0.000 0.864 1005 T HN 0.321 nan 8.240 nan 0.000 0.410 1006 G N 1.625 110.551 108.800 0.210 0.000 2.574 1006 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 1006 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 1006 G C 1.826 176.826 174.900 0.167 0.000 1.173 1006 G CA 2.062 47.341 45.100 0.299 0.000 0.772 1006 G HN 0.581 nan 8.290 nan 0.000 0.585 1007 V N -1.011 118.987 119.914 0.140 0.000 2.407 1007 V HA -0.128 3.991 4.120 -0.000 0.000 0.248 1007 V C 2.628 178.886 176.094 0.273 0.000 1.055 1007 V CA 2.250 64.664 62.300 0.189 0.000 1.049 1007 V CB -0.679 31.325 31.823 0.301 0.000 0.662 1007 V HN 0.407 nan 8.190 nan 0.000 0.455 1008 M N 1.789 121.516 119.600 0.212 0.000 2.080 1008 M HA -0.056 4.424 4.480 -0.000 0.000 0.260 1008 M C 2.159 178.554 176.300 0.158 0.000 1.068 1008 M CA 2.500 57.911 55.300 0.185 0.000 1.109 1008 M CB -0.772 31.875 32.600 0.078 0.000 1.342 1008 M HN 0.461 nan 8.290 nan 0.000 0.405 1009 G N -0.851 108.028 108.800 0.132 0.000 2.442 1009 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 1009 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 1009 G C 1.374 176.339 174.900 0.108 0.000 1.141 1009 G CA 0.916 46.084 45.100 0.115 0.000 0.763 1009 G HN 0.630 nan 8.290 nan 0.000 0.554 1010 G N 0.297 109.161 108.800 0.107 0.000 2.404 1010 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.215 1010 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.215 1010 G C 1.808 176.740 174.900 0.053 0.000 1.174 1010 G CA 1.026 46.163 45.100 0.062 0.000 0.780 1010 G HN 0.236 nan 8.290 nan 0.000 0.537 1011 M N 0.462 120.111 119.600 0.083 0.000 2.065 1011 M HA -0.066 4.413 4.480 -0.000 0.000 0.259 1011 M C 2.844 179.190 176.300 0.077 0.000 1.069 1011 M CA 0.908 56.245 55.300 0.061 0.000 1.110 1011 M CB -0.942 31.765 32.600 0.179 0.000 1.328 1011 M HN 0.122 nan 8.290 nan 0.000 0.405 1012 V N 0.591 120.567 119.914 0.103 0.000 2.233 1012 V HA -0.363 3.757 4.120 -0.000 0.000 0.252 1012 V C 2.516 178.659 176.094 0.082 0.000 1.063 1012 V CA 2.733 65.086 62.300 0.089 0.000 1.032 1012 V CB -1.612 30.261 31.823 0.084 0.000 0.645 1012 V HN 0.679 nan 8.190 nan 0.000 0.446 1013 T N -1.678 112.925 114.554 0.082 0.000 2.985 1013 T HA 0.053 4.403 4.350 -0.000 0.000 0.266 1013 T C 1.746 176.500 174.700 0.091 0.000 1.076 1013 T CA 1.068 63.224 62.100 0.093 0.000 1.135 1013 T CB -0.316 68.604 68.868 0.087 0.000 0.890 1013 T HN 0.489 nan 8.240 nan 0.000 0.480 1014 A N 0.993 123.850 122.820 0.062 0.000 2.216 1014 A HA 0.123 4.442 4.320 -0.000 0.000 0.214 1014 A C 2.242 179.851 177.584 0.041 0.000 1.160 1014 A CA 1.464 53.530 52.037 0.048 0.000 0.725 1014 A CB -0.835 18.168 19.000 0.005 0.000 0.784 1014 A HN 0.569 nan 8.150 nan 0.000 0.472 1015 T N -1.135 113.443 114.554 0.041 0.000 3.348 1015 T HA 0.014 4.364 4.350 -0.000 0.000 0.233 1015 T C 1.992 176.696 174.700 0.007 0.000 0.960 1015 T CA 1.199 63.302 62.100 0.006 0.000 1.343 1015 T CB -0.836 68.033 68.868 0.002 0.000 1.068 1015 T HN 0.545 nan 8.240 nan 0.000 0.410 1016 V N 0.752 120.700 119.914 0.057 0.000 2.546 1016 V HA -0.081 4.039 4.120 -0.000 0.000 0.254 1016 V C 2.120 178.362 176.094 0.246 0.000 1.076 1016 V CA 1.580 63.950 62.300 0.117 0.000 1.087 1016 V CB -0.941 30.981 31.823 0.165 0.000 0.674 1016 V HN 0.218 nan 8.190 nan 0.000 0.470 1017 L N 0.644 122.014 121.223 0.246 0.000 2.145 1017 L HA 0.426 4.766 4.340 -0.000 0.000 0.201 1017 L C 2.781 179.893 176.870 0.405 0.000 1.075 1017 L CA 1.890 56.972 54.840 0.404 0.000 0.773 1017 L CB -1.175 41.076 42.059 0.321 0.000 0.936 1017 L HN 0.318 nan 8.230 nan 0.000 0.451 1018 A N -0.856 122.099 122.820 0.226 0.000 2.019 1018 A HA -0.170 4.149 4.320 -0.000 0.000 0.219 1018 A C 2.139 179.747 177.584 0.041 0.000 1.164 1018 A CA 1.198 53.343 52.037 0.179 0.000 0.644 1018 A CB -0.731 18.344 19.000 0.125 0.000 0.805 1018 A HN 0.302 nan 8.150 nan 0.000 0.449 1019 I N -1.593 118.911 120.570 -0.111 0.000 2.657 1019 I HA -0.169 4.001 4.170 -0.000 0.000 0.261 1019 I C 1.492 177.341 176.117 -0.446 0.000 1.212 1019 I CA 1.247 62.331 61.300 -0.360 0.000 1.453 1019 I CB -0.358 37.242 38.000 -0.666 0.000 1.092 1019 I HN 0.417 nan 8.210 nan 0.000 0.452 1020 F N -3.233 116.761 119.950 0.073 0.000 2.619 1020 F HA 0.123 4.650 4.527 -0.000 0.000 0.281 1020 F C 1.877 177.484 175.800 -0.322 0.000 1.065 1020 F CA 0.025 57.964 58.000 -0.102 0.000 1.304 1020 F CB -0.558 38.354 39.000 -0.148 0.000 1.059 1020 F HN -0.184 nan 8.300 nan 0.000 0.648 1021 F N 0.316 120.240 119.950 -0.044 0.000 2.259 1021 F HA -0.095 4.431 4.527 -0.000 0.000 0.298 1021 F C 2.260 177.530 175.800 -0.884 0.000 1.088 1021 F CA 0.835 58.536 58.000 -0.498 0.000 1.358 1021 F CB -0.737 37.971 39.000 -0.487 0.000 1.040 1021 F HN -0.287 nan 8.300 nan 0.000 0.505 1022 V N 0.848 120.634 119.914 -0.213 0.000 2.287 1022 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 1022 V C -0.359 175.742 176.094 0.011 0.000 1.053 1022 V CA 2.075 64.380 62.300 0.009 0.000 1.027 1022 V CB -1.764 30.125 31.823 0.109 0.000 0.646 1022 V HN 0.180 nan 8.190 nan 0.000 0.447 1023 P HA -0.126 nan 4.420 nan 0.000 0.216 1023 P C 1.954 179.257 177.300 0.004 0.000 1.153 1023 P CA 1.369 64.469 63.100 0.000 0.000 0.858 1023 P CB -0.090 31.560 31.700 -0.083 0.000 0.789 1024 V N -1.227 118.594 119.914 -0.154 0.000 2.287 1024 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 1024 V C 2.179 178.304 176.094 0.050 0.000 1.053 1024 V CA 1.826 64.045 62.300 -0.135 0.000 1.027 1024 V CB -1.343 30.319 31.823 -0.269 0.000 0.646 1024 V HN 0.067 nan 8.190 nan 0.000 0.447 1025 F N -1.028 118.961 119.950 0.065 0.000 2.069 1025 F HA -0.265 4.261 4.527 -0.000 0.000 0.298 1025 F C 2.331 178.174 175.800 0.072 0.000 1.113 1025 F CA 2.004 60.018 58.000 0.023 0.000 1.214 1025 F CB -0.551 38.444 39.000 -0.007 0.000 0.978 1025 F HN 0.177 nan 8.300 nan 0.000 0.474 1026 F N 0.936 120.990 119.950 0.174 0.000 2.069 1026 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 1026 F C 2.201 178.042 175.800 0.069 0.000 1.113 1026 F CA 1.278 59.331 58.000 0.088 0.000 1.214 1026 F CB -0.799 38.226 39.000 0.043 0.000 0.978 1026 F HN -0.291 nan 8.300 nan 0.000 0.474 1027 V N -0.500 119.433 119.914 0.033 0.000 2.261 1027 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 1027 V C 2.415 178.471 176.094 -0.064 0.000 1.047 1027 V CA 1.725 63.981 62.300 -0.073 0.000 1.015 1027 V CB -0.884 30.946 31.823 0.012 0.000 0.642 1027 V HN 0.250 nan 8.190 nan 0.000 0.446 1028 V N -0.318 119.611 119.914 0.026 0.000 2.233 1028 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 1028 V C 2.427 178.585 176.094 0.107 0.000 1.050 1028 V CA 2.198 64.543 62.300 0.075 0.000 1.010 1028 V CB -0.510 31.390 31.823 0.129 0.000 0.637 1028 V HN 0.381 nan 8.190 nan 0.000 0.444 1029 V N -0.066 119.924 119.914 0.128 0.000 2.231 1029 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 1029 V C 2.613 178.784 176.094 0.129 0.000 1.054 1029 V CA 2.550 64.962 62.300 0.186 0.000 1.015 1029 V CB -0.860 31.046 31.823 0.138 0.000 0.638 1029 V HN 0.463 nan 8.190 nan 0.000 0.444 1030 R N 0.109 120.533 120.500 -0.125 0.000 2.117 1030 R HA -0.157 4.182 4.340 -0.000 0.000 0.243 1030 R C 2.358 178.674 176.300 0.027 0.000 1.143 1030 R CA 1.738 57.728 56.100 -0.183 0.000 0.968 1030 R CB -0.532 29.436 30.300 -0.553 0.000 0.863 1030 R HN 0.492 nan 8.270 nan 0.000 0.444 1031 R N -0.902 119.617 120.500 0.031 0.000 2.066 1031 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 1031 R C 1.968 178.333 176.300 0.109 0.000 1.131 1031 R CA 1.412 57.545 56.100 0.055 0.000 0.955 1031 R CB -0.329 29.986 30.300 0.025 0.000 0.851 1031 R HN -0.007 nan 8.270 nan 0.000 0.432 1032 R N 0.333 120.937 120.500 0.173 0.000 2.395 1032 R HA -0.047 4.293 4.340 -0.000 0.000 0.203 1032 R C -0.420 175.750 176.300 -0.216 0.000 1.076 1032 R CA 0.994 57.112 56.100 0.030 0.000 1.059 1032 R CB -0.224 30.111 30.300 0.058 0.000 0.860 1032 R HN 0.031 nan 8.270 nan 0.000 0.476 1033 F N -2.495 117.451 119.950 -0.007 0.000 3.255 1033 F HA 0.418 4.944 4.527 -0.000 0.000 0.204 1033 F C 0.897 176.694 175.800 -0.005 0.000 1.613 1033 F CA -0.748 57.252 58.000 0.000 0.000 0.925 1033 F CB -0.599 38.410 39.000 0.015 0.000 1.893 1033 F HN -0.406 nan 8.300 nan 0.000 0.306 1034 S N 1.246 117.089 115.700 0.239 0.000 2.643 1034 S HA -0.010 4.459 4.470 -0.000 0.000 0.310 1034 S C 0.633 175.272 174.600 0.064 0.000 1.253 1034 S CA 0.231 58.499 58.200 0.114 0.000 1.047 1034 S CB -0.046 63.210 63.200 0.093 0.000 0.767 1034 S HN 0.473 nan 8.310 nan 0.000 0.498 1035 R N 1.227 121.749 120.500 0.037 0.000 2.637 1035 R HA 0.156 4.496 4.340 -0.000 0.000 0.446 1035 R C -0.716 175.592 176.300 0.014 0.000 1.024 1035 R CA -0.299 55.813 56.100 0.020 0.000 1.080 1035 R CB -0.018 30.288 30.300 0.010 0.000 1.421 1035 R HN 0.316 nan 8.270 nan 0.000 0.593 1036 K N 1.188 121.598 120.400 0.016 0.000 3.216 1036 K HA 0.102 4.422 4.320 -0.000 0.000 0.277 1036 K C -0.521 176.084 176.600 0.008 0.000 1.246 1036 K CA 0.113 56.407 56.287 0.011 0.000 1.227 1036 K CB -0.710 31.798 32.500 0.012 0.000 1.487 1036 K HN 0.334 nan 8.250 nan 0.000 0.341 1037 N N 1.180 119.884 118.700 0.006 0.000 2.522 1037 N HA -0.176 4.564 4.740 -0.000 0.000 0.281 1037 N C -0.120 175.393 175.510 0.005 0.000 1.267 1037 N CA -0.031 53.021 53.050 0.004 0.000 0.675 1037 N CB 0.097 38.586 38.487 0.003 0.000 0.890 1037 N HN 0.345 nan 8.380 nan 0.000 0.542 1038 E N 0.504 120.706 120.200 0.005 0.000 2.452 1038 E HA 0.003 4.353 4.350 -0.000 0.000 0.197 1038 E C 0.076 176.679 176.600 0.005 0.000 1.022 1038 E CA 0.173 56.576 56.400 0.005 0.000 0.890 1038 E CB 0.267 29.967 29.700 0.000 0.000 0.918 1038 E HN 0.511 nan 8.360 nan 0.000 0.496 1039 D N 1.640 122.041 120.400 0.002 0.000 2.325 1039 D HA 0.064 4.704 4.640 -0.000 0.000 0.234 1039 D C 1.227 177.529 176.300 0.002 0.000 1.122 1039 D CA -0.057 53.944 54.000 0.002 0.000 0.850 1039 D CB 0.215 41.014 40.800 -0.001 0.000 0.921 1039 D HN 0.292 nan 8.370 nan 0.000 0.513 1040 I N 0.000 120.572 120.570 0.003 0.000 2.984 1040 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1040 I CA 0.000 61.301 61.300 0.002 0.000 1.566 1040 I CB 0.000 38.001 38.000 0.002 0.000 1.214 1040 I HN 0.000 nan 8.210 nan 0.000 0.494