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 2qrp_1_A DATA FIRST_RESID 10 DATA SEQUENCE RKQISVRGLA GVENVTELKK NFNRHLHFTL VKDRNVATPR DYYFALAHTV DATA SEQUENCE RDHLVGRWIR TQQHYYEKDP KRIYYLSLEF YMGRTLQNTM VNLALENACD DATA SEQUENCE EATYQLGLDM EELEEIEEDA GLGNGGLGRL AACFLDSMAT LGLAAYGYGI DATA SEQUENCE RYEFGIFNQK ICGGWQMEEA DDWLRYGNPW EKARPEFTLP VHFYGRVEHT DATA SEQUENCE SQGAKWVDTQ VVLAMPYDTP VPGYRNNVVN TMRLWSAKAP NDXXXXXXNV DATA SEQUENCE GGYIQAVLDR NLAENISRVL YPNDNFFEGK ELRLKQEYFV VAATLQDIIR DATA SEQUENCE RFKSSKXXXX XXXXXNFDAF PDKVAIQLND THPSLAIPEL MRVLVDLERL DATA SEQUENCE DWDKAWEVTV KTCAYTNHTV LPEALERWPV HLLETLLPRH LQIIYEINQR DATA SEQUENCE FLNRVAAAFP GDVDRLRRMS LVEEGAVKRI NMAHLCIAGS HAVNGVARIH DATA SEQUENCE SEILKKTIFK DFYELEPHKF QNKTNGITPR RWLVLCNPGL AEIIAERIGE DATA SEQUENCE EYISDLDQLR KLLSYVDDEA FIRDVAKVKQ ENKLKFAAYL EREYKVHINP DATA SEQUENCE NSLFDVQVKR IHEYKRQLLN CLHVITLYNR IKKEPNKFVV PRTVMIGGKA DATA SEQUENCE APGYHMAKMI IKLITAIGDV VNHDPVVGDR LRVIFLENYR VSLAEKVIPA DATA SEQUENCE ADLSEQISTA GTEASGTGNM XFMLNGALTI GTMDGANVEM AEEAGEENFF DATA SEQUENCE IFGMRVEDVD RLDQRGYNAQ EYYDRIPELR QIIEQLSSGF FSPKQPDLFK DATA SEQUENCE DIVNMLMHHD RFKVFADYEE YVKCQERVSA LYKNPREWTR MVIRNIATSG DATA SEQUENCE KFSSDRTIAQ YAREIWGVEP SRQRLP 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.273 176.300 -0.045 0.000 0.893 10 R CA 0.000 56.075 56.100 -0.042 0.000 0.921 10 R CB 0.000 30.262 30.300 -0.064 0.000 0.687 11 K N 1.249 121.609 120.400 -0.065 0.000 2.305 11 K HA 0.067 4.381 4.320 -0.010 0.000 0.199 11 K C 1.178 177.754 176.600 -0.040 0.000 1.047 11 K CA 1.223 57.476 56.287 -0.058 0.000 0.976 11 K CB 0.227 32.677 32.500 -0.083 0.000 0.765 11 K HN 0.434 nan 8.250 nan 0.000 0.474 12 Q N 0.311 120.087 119.800 -0.039 0.000 2.325 12 Q HA -0.102 4.232 4.340 -0.010 0.000 0.211 12 Q C 0.347 176.340 176.000 -0.012 0.000 0.988 12 Q CA 0.786 56.574 55.803 -0.024 0.000 0.887 12 Q CB -0.244 28.480 28.738 -0.022 0.000 0.915 12 Q HN 0.294 nan 8.270 nan 0.000 0.440 13 I N 1.868 122.432 120.570 -0.010 0.000 2.483 13 I HA -0.077 4.087 4.170 -0.010 0.000 0.291 13 I C 1.407 177.528 176.117 0.006 0.000 1.112 13 I CA -0.215 61.087 61.300 0.003 0.000 1.350 13 I CB 0.788 38.790 38.000 0.004 0.000 1.419 13 I HN 0.143 nan 8.210 nan 0.000 0.523 14 S N 5.056 120.764 115.700 0.014 0.000 2.402 14 S HA -0.138 4.326 4.470 -0.010 0.000 0.229 14 S C 1.805 176.418 174.600 0.022 0.000 1.021 14 S CA 0.901 59.110 58.200 0.015 0.000 0.974 14 S CB -0.549 62.663 63.200 0.020 0.000 0.800 14 S HN 0.658 nan 8.310 nan 0.000 0.484 15 V N -0.126 119.810 119.914 0.037 0.000 2.867 15 V HA 0.077 4.191 4.120 -0.010 0.000 0.260 15 V C 2.103 178.220 176.094 0.038 0.000 1.099 15 V CA 1.332 63.660 62.300 0.046 0.000 1.122 15 V CB -1.102 30.758 31.823 0.062 0.000 0.708 15 V HN 0.406 nan 8.190 nan 0.000 0.490 16 R N 1.107 121.619 120.500 0.020 0.000 2.310 16 R HA 0.427 4.761 4.340 -0.010 0.000 0.202 16 R C 1.192 177.488 176.300 -0.008 0.000 0.933 16 R CA 0.577 56.681 56.100 0.007 0.000 1.054 16 R CB 0.010 30.309 30.300 -0.002 0.000 0.985 16 R HN 0.783 nan 8.270 nan 0.000 0.489 17 G N 0.836 109.631 108.800 -0.008 0.000 2.627 17 G HA2 -0.233 3.721 3.960 -0.010 0.000 0.214 17 G HA3 -0.233 3.721 3.960 -0.010 0.000 0.214 17 G C -0.798 174.089 174.900 -0.022 0.000 1.331 17 G CA -0.976 44.111 45.100 -0.022 0.000 0.891 17 G HN 0.079 nan 8.290 nan 0.000 0.539 18 L N 0.229 121.436 121.223 -0.027 0.000 2.322 18 L HA 0.699 5.033 4.340 -0.010 0.000 0.279 18 L C 0.935 177.792 176.870 -0.022 0.000 1.036 18 L CA -0.380 54.447 54.840 -0.022 0.000 0.807 18 L CB 1.998 44.045 42.059 -0.019 0.000 1.226 18 L HN 1.166 nan 8.230 nan 0.000 0.433 19 A N 2.339 125.148 122.820 -0.018 0.000 3.000 19 A HA 0.537 4.851 4.320 -0.010 0.000 0.315 19 A C 0.600 178.180 177.584 -0.007 0.000 1.434 19 A CA -0.407 51.622 52.037 -0.014 0.000 1.108 19 A CB -0.523 18.468 19.000 -0.015 0.000 1.171 19 A HN 0.794 nan 8.150 nan 0.000 0.524 20 G N 0.355 109.152 108.800 -0.005 0.000 2.380 20 G HA2 0.339 4.293 3.960 -0.010 0.000 0.242 20 G HA3 0.339 4.293 3.960 -0.010 0.000 0.242 20 G C 1.194 176.099 174.900 0.009 0.000 1.298 20 G CA 0.159 45.260 45.100 0.002 0.000 0.878 20 G HN 1.273 nan 8.290 nan 0.000 0.542 21 V N 0.756 120.676 119.914 0.009 0.000 2.287 21 V HA -0.186 3.928 4.120 -0.010 0.000 0.248 21 V C 2.060 178.165 176.094 0.018 0.000 1.053 21 V CA 2.350 64.658 62.300 0.013 0.000 1.027 21 V CB -0.784 31.045 31.823 0.011 0.000 0.646 21 V HN 0.757 nan 8.190 nan 0.000 0.447 22 E N 0.587 120.799 120.200 0.020 0.000 2.152 22 E HA -0.176 4.168 4.350 -0.010 0.000 0.192 22 E C 2.185 178.808 176.600 0.039 0.000 0.983 22 E CA 1.186 57.602 56.400 0.027 0.000 0.818 22 E CB -0.277 29.438 29.700 0.024 0.000 0.758 22 E HN 0.686 nan 8.360 nan 0.000 0.467 23 N N 0.825 119.548 118.700 0.038 0.000 2.084 23 N HA -0.140 4.595 4.740 -0.010 0.000 0.190 23 N C 1.807 177.348 175.510 0.051 0.000 1.030 23 N CA 1.008 54.089 53.050 0.051 0.000 0.849 23 N CB -0.194 38.311 38.487 0.030 0.000 1.012 23 N HN -0.061 nan 8.380 nan 0.000 0.423 24 V N 0.327 120.260 119.914 0.032 0.000 2.332 24 V HA -0.239 3.875 4.120 -0.010 0.000 0.248 24 V C 2.205 178.321 176.094 0.038 0.000 1.055 24 V CA 2.155 64.473 62.300 0.029 0.000 1.038 24 V CB -1.108 30.726 31.823 0.019 0.000 0.651 24 V HN 0.418 nan 8.190 nan 0.000 0.450 25 T N -0.677 113.899 114.554 0.037 0.000 2.684 25 T HA -0.260 4.084 4.350 -0.010 0.000 0.267 25 T C 1.879 176.614 174.700 0.058 0.000 1.036 25 T CA 1.885 64.008 62.100 0.039 0.000 1.148 25 T CB -0.229 68.657 68.868 0.031 0.000 0.863 25 T HN 0.627 nan 8.240 nan 0.000 0.436 26 E N 0.529 120.771 120.200 0.070 0.000 2.077 26 E HA -0.094 4.250 4.350 -0.010 0.000 0.193 26 E C 2.184 178.863 176.600 0.131 0.000 0.989 26 E CA 0.811 57.266 56.400 0.092 0.000 0.800 26 E CB -0.197 29.562 29.700 0.100 0.000 0.746 26 E HN 0.424 nan 8.360 nan 0.000 0.452 27 L N 0.565 121.874 121.223 0.144 0.000 2.046 27 L HA -0.215 4.119 4.340 -0.010 0.000 0.208 27 L C 2.583 179.566 176.870 0.189 0.000 1.077 27 L CA 1.438 56.388 54.840 0.182 0.000 0.747 27 L CB -0.297 41.840 42.059 0.130 0.000 0.896 27 L HN 0.051 nan 8.230 nan 0.000 0.432 28 K N 0.028 120.496 120.400 0.114 0.000 2.057 28 K HA -0.233 4.081 4.320 -0.010 0.000 0.207 28 K C 2.166 178.867 176.600 0.169 0.000 1.049 28 K CA 1.424 57.767 56.287 0.094 0.000 0.931 28 K CB -0.118 32.394 32.500 0.020 0.000 0.714 28 K HN 0.176 nan 8.250 nan 0.000 0.440 29 K N 0.931 121.411 120.400 0.134 0.000 2.026 29 K HA -0.141 4.173 4.320 -0.010 0.000 0.208 29 K C 1.730 178.421 176.600 0.152 0.000 1.048 29 K CA 1.503 57.862 56.287 0.120 0.000 0.929 29 K CB 0.043 32.591 32.500 0.080 0.000 0.713 29 K HN 0.052 nan 8.250 nan 0.000 0.439 30 N N 0.193 118.997 118.700 0.173 0.000 2.270 30 N HA -0.136 4.598 4.740 -0.010 0.000 0.181 30 N C 1.602 177.285 175.510 0.287 0.000 1.016 30 N CA 0.872 54.027 53.050 0.175 0.000 0.870 30 N CB -0.296 38.303 38.487 0.186 0.000 0.979 30 N HN 0.190 nan 8.380 nan 0.000 0.431 31 F N 2.556 122.618 119.950 0.186 0.000 2.069 31 F HA -0.178 4.343 4.527 -0.010 0.000 0.298 31 F C 2.005 177.919 175.800 0.189 0.000 1.113 31 F CA 1.430 59.548 58.000 0.197 0.000 1.214 31 F CB -0.187 38.893 39.000 0.133 0.000 0.978 31 F HN -0.013 nan 8.300 nan 0.000 0.474 32 N N 0.392 119.345 118.700 0.423 0.000 2.166 32 N HA -0.192 4.542 4.740 -0.010 0.000 0.186 32 N C 2.026 177.637 175.510 0.169 0.000 1.019 32 N CA 1.209 54.427 53.050 0.281 0.000 0.856 32 N CB -0.584 38.037 38.487 0.222 0.000 0.993 32 N HN 0.374 nan 8.380 nan 0.000 0.426 33 R N 0.229 120.823 120.500 0.158 0.000 2.073 33 R HA -0.113 4.221 4.340 -0.010 0.000 0.234 33 R C 1.823 178.219 176.300 0.161 0.000 1.134 33 R CA 1.523 57.734 56.100 0.185 0.000 0.952 33 R CB -0.221 30.120 30.300 0.070 0.000 0.850 33 R HN 0.393 nan 8.270 nan 0.000 0.433 34 H N -0.379 118.742 119.070 0.084 0.000 2.357 34 H HA -0.127 4.424 4.556 -0.010 0.000 0.301 34 H C 1.901 177.177 175.328 -0.087 0.000 1.082 34 H CA 1.489 57.518 56.048 -0.031 0.000 1.342 34 H CB 0.039 29.738 29.762 -0.105 0.000 1.389 34 H HN 0.118 nan 8.280 nan 0.000 0.511 35 L N -0.010 121.218 121.223 0.009 0.000 2.042 35 L HA -0.224 4.110 4.340 -0.010 0.000 0.210 35 L C 2.223 179.086 176.870 -0.013 0.000 1.076 35 L CA 1.913 56.733 54.840 -0.033 0.000 0.749 35 L CB -0.444 41.623 42.059 0.013 0.000 0.893 35 L HN 0.319 nan 8.230 nan 0.000 0.432 36 H N -1.801 117.206 119.070 -0.106 0.000 2.276 36 H HA -0.079 4.471 4.556 -0.010 0.000 0.307 36 H C 1.807 176.942 175.328 -0.322 0.000 1.061 36 H CA 2.343 58.228 56.048 -0.272 0.000 1.336 36 H CB -0.279 29.220 29.762 -0.438 0.000 1.396 36 H HN 0.297 nan 8.280 nan 0.000 0.503 37 F N -0.593 119.329 119.950 -0.046 0.000 2.270 37 F HA -0.002 4.519 4.527 -0.010 0.000 0.295 37 F C 2.582 178.299 175.800 -0.137 0.000 1.087 37 F CA 1.320 59.250 58.000 -0.118 0.000 1.365 37 F CB -0.311 38.657 39.000 -0.054 0.000 1.056 37 F HN 0.171 nan 8.300 nan 0.000 0.506 38 T N 0.022 114.603 114.554 0.045 0.000 2.901 38 T HA 0.070 4.414 4.350 -0.010 0.000 0.252 38 T C 1.979 176.591 174.700 -0.148 0.000 1.035 38 T CA 0.860 62.912 62.100 -0.080 0.000 1.142 38 T CB -0.282 68.494 68.868 -0.155 0.000 0.869 38 T HN 0.101 nan 8.240 nan 0.000 0.442 39 L N 1.219 122.359 121.223 -0.138 0.000 2.477 39 L HA 0.192 4.526 4.340 -0.010 0.000 0.220 39 L C 0.488 177.271 176.870 -0.145 0.000 1.106 39 L CA -0.044 54.709 54.840 -0.146 0.000 0.851 39 L CB -0.158 41.827 42.059 -0.123 0.000 0.994 39 L HN 0.001 nan 8.230 nan 0.000 0.462 40 V N 0.322 120.130 119.914 -0.177 0.000 5.820 40 V HA -0.273 3.841 4.120 -0.010 0.000 0.300 40 V C -0.003 175.988 176.094 -0.172 0.000 0.585 40 V CA 1.128 63.294 62.300 -0.224 0.000 0.629 40 V CB -2.267 29.446 31.823 -0.183 0.000 0.291 40 V HN 0.416 nan 8.190 nan 0.000 0.887 41 K N 1.208 121.521 120.400 -0.144 0.000 2.444 41 K HA 0.778 5.092 4.320 -0.010 0.000 0.252 41 K C -0.440 176.140 176.600 -0.033 0.000 0.993 41 K CA -0.472 55.762 56.287 -0.089 0.000 0.847 41 K CB 2.816 35.259 32.500 -0.094 0.000 1.340 41 K HN 0.523 nan 8.250 nan 0.000 0.446 42 D N -0.650 119.749 120.400 -0.002 0.000 2.531 42 D HA 0.285 4.919 4.640 -0.010 0.000 0.244 42 D C 0.517 176.859 176.300 0.069 0.000 1.090 42 D CA -0.641 53.391 54.000 0.053 0.000 0.989 42 D CB 1.037 41.870 40.800 0.054 0.000 1.433 42 D HN 0.169 nan 8.370 nan 0.000 0.492 43 R N 0.167 120.740 120.500 0.122 0.000 2.303 43 R HA -0.051 4.283 4.340 -0.010 0.000 0.225 43 R C 0.988 177.362 176.300 0.123 0.000 1.114 43 R CA 0.543 56.753 56.100 0.183 0.000 1.007 43 R CB -0.625 29.785 30.300 0.183 0.000 0.861 43 R HN 0.492 nan 8.270 nan 0.000 0.471 44 N N 0.484 119.225 118.700 0.068 0.000 2.171 44 N HA -0.097 4.637 4.740 -0.010 0.000 0.184 44 N C 1.783 177.309 175.510 0.028 0.000 1.021 44 N CA 1.660 54.737 53.050 0.045 0.000 0.854 44 N CB 0.030 38.534 38.487 0.028 0.000 0.994 44 N HN 0.235 nan 8.380 nan 0.000 0.426 45 V N -2.190 117.728 119.914 0.006 0.000 3.621 45 V HA 0.500 4.614 4.120 -0.010 0.000 0.285 45 V C 0.832 176.892 176.094 -0.058 0.000 1.346 45 V CA -0.451 61.838 62.300 -0.018 0.000 1.104 45 V CB -0.569 31.240 31.823 -0.024 0.000 0.913 45 V HN 0.086 nan 8.190 nan 0.000 0.432 46 A N 2.303 125.069 122.820 -0.090 0.000 2.488 46 A HA 0.552 4.866 4.320 -0.010 0.000 0.249 46 A C 0.782 178.164 177.584 -0.336 0.000 1.083 46 A CA 0.697 52.567 52.037 -0.278 0.000 0.768 46 A CB -0.226 18.518 19.000 -0.428 0.000 1.017 46 A HN 0.763 nan 8.150 nan 0.000 0.496 47 T N 0.614 114.971 114.554 -0.328 0.000 2.912 47 T HA 0.538 4.882 4.350 -0.010 0.000 0.280 47 T C -2.059 172.531 174.700 -0.183 0.000 0.989 47 T CA -1.751 60.245 62.100 -0.173 0.000 0.995 47 T CB 1.095 69.918 68.868 -0.075 0.000 1.077 47 T HN 0.267 nan 8.240 nan 0.000 0.531 48 P HA -0.091 nan 4.420 nan 0.000 0.217 48 P C 1.608 179.011 177.300 0.172 0.000 1.148 48 P CA 0.921 64.147 63.100 0.210 0.000 0.828 48 P CB 0.055 31.847 31.700 0.153 0.000 0.783 49 R N 0.028 120.576 120.500 0.079 0.000 2.081 49 R HA -0.142 4.192 4.340 -0.010 0.000 0.235 49 R C 1.723 178.180 176.300 0.262 0.000 1.131 49 R CA 1.799 57.980 56.100 0.135 0.000 0.960 49 R CB -0.723 29.584 30.300 0.011 0.000 0.856 49 R HN 0.071 nan 8.270 nan 0.000 0.436 50 D N -0.318 120.123 120.400 0.069 0.000 2.123 50 D HA -0.204 4.430 4.640 -0.010 0.000 0.196 50 D C 1.755 178.084 176.300 0.049 0.000 0.992 50 D CA 1.393 55.393 54.000 -0.000 0.000 0.833 50 D CB -0.317 40.338 40.800 -0.242 0.000 0.954 50 D HN 0.316 nan 8.370 nan 0.000 0.455 51 Y N -0.101 120.303 120.300 0.173 0.000 2.242 51 Y HA -0.177 4.367 4.550 -0.010 0.000 0.291 51 Y C 2.293 178.324 175.900 0.218 0.000 1.137 51 Y CA 0.185 58.431 58.100 0.242 0.000 1.181 51 Y CB -1.164 37.508 38.460 0.353 0.000 0.989 51 Y HN 0.090 nan 8.280 nan 0.000 0.527 52 Y N -0.419 120.017 120.300 0.226 0.000 2.128 52 Y HA -0.300 4.244 4.550 -0.010 0.000 0.284 52 Y C 1.981 177.843 175.900 -0.064 0.000 1.154 52 Y CA 1.419 59.545 58.100 0.043 0.000 1.149 52 Y CB -1.128 37.257 38.460 -0.126 0.000 0.976 52 Y HN 0.043 nan 8.280 nan 0.000 0.505 53 F N 0.171 119.923 119.950 -0.331 0.000 2.186 53 F HA -0.131 4.391 4.527 -0.009 0.000 0.299 53 F C 2.645 178.277 175.800 -0.280 0.000 1.090 53 F CA 1.234 58.971 58.000 -0.438 0.000 1.307 53 F CB -0.812 38.118 39.000 -0.117 0.000 1.019 53 F HN 0.208 nan 8.300 nan 0.000 0.489 54 A N -0.129 122.629 122.820 -0.102 0.000 1.908 54 A HA -0.199 4.115 4.320 -0.010 0.000 0.218 54 A C 2.063 179.465 177.584 -0.304 0.000 1.181 54 A CA 1.662 53.486 52.037 -0.354 0.000 0.627 54 A CB -1.024 17.419 19.000 -0.929 0.000 0.818 54 A HN 0.349 nan 8.150 nan 0.000 0.445 55 L N -0.330 120.831 121.223 -0.103 0.000 2.027 55 L HA -0.005 4.329 4.340 -0.010 0.000 0.206 55 L C 2.707 179.537 176.870 -0.068 0.000 1.074 55 L CA 2.111 57.036 54.840 0.141 0.000 0.745 55 L CB -0.903 41.331 42.059 0.291 0.000 0.898 55 L HN 0.348 nan 8.230 nan 0.000 0.433 56 A N -1.111 121.483 122.820 -0.377 0.000 1.883 56 A HA -0.303 4.011 4.320 -0.010 0.000 0.217 56 A C 2.145 179.334 177.584 -0.658 0.000 1.186 56 A CA 2.167 53.843 52.037 -0.601 0.000 0.624 56 A CB -1.143 17.157 19.000 -1.167 0.000 0.822 56 A HN 0.685 nan 8.150 nan 0.000 0.444 57 H N -0.914 117.818 119.070 -0.563 0.000 2.389 57 H HA -0.056 4.494 4.556 -0.010 0.000 0.299 57 H C 2.386 177.423 175.328 -0.484 0.000 1.081 57 H CA 1.925 57.569 56.048 -0.673 0.000 1.345 57 H CB -0.215 28.891 29.762 -1.094 0.000 1.393 57 H HN 0.466 nan 8.280 nan 0.000 0.520 58 T N -0.130 114.338 114.554 -0.143 0.000 2.708 58 T HA -0.150 4.194 4.350 -0.010 0.000 0.266 58 T C 2.272 177.135 174.700 0.272 0.000 1.037 58 T CA 1.431 63.649 62.100 0.198 0.000 1.146 58 T CB -0.431 68.617 68.868 0.299 0.000 0.865 58 T HN 0.090 nan 8.240 nan 0.000 0.435 59 V N 1.534 121.570 119.914 0.203 0.000 2.358 59 V HA -0.115 4.000 4.120 -0.010 0.000 0.246 59 V C 2.737 179.013 176.094 0.303 0.000 1.047 59 V CA 1.384 63.844 62.300 0.266 0.000 1.035 59 V CB -0.583 31.398 31.823 0.263 0.000 0.658 59 V HN 0.311 nan 8.190 nan 0.000 0.452 60 R N 0.233 120.859 120.500 0.210 0.000 2.105 60 R HA -0.196 4.138 4.340 -0.010 0.000 0.239 60 R C 1.975 178.385 176.300 0.183 0.000 1.135 60 R CA 1.871 58.098 56.100 0.211 0.000 0.967 60 R CB -0.700 29.564 30.300 -0.061 0.000 0.861 60 R HN 0.507 nan 8.270 nan 0.000 0.442 61 D N -0.411 120.084 120.400 0.159 0.000 2.190 61 D HA -0.176 4.458 4.640 -0.010 0.000 0.200 61 D C 1.693 178.028 176.300 0.058 0.000 0.992 61 D CA 1.098 55.168 54.000 0.116 0.000 0.854 61 D CB -0.356 40.508 40.800 0.107 0.000 0.936 61 D HN 0.447 nan 8.370 nan 0.000 0.462 62 H N -0.459 118.677 119.070 0.110 0.000 2.546 62 H HA 0.070 4.620 4.556 -0.010 0.000 0.277 62 H C 2.064 177.435 175.328 0.070 0.000 1.004 62 H CA 0.346 56.443 56.048 0.081 0.000 1.231 62 H CB 0.379 30.182 29.762 0.067 0.000 1.382 62 H HN 0.204 nan 8.280 nan 0.000 0.580 63 L N -0.333 121.000 121.223 0.184 0.000 2.375 63 L HA -0.064 4.270 4.340 -0.010 0.000 0.215 63 L C 2.435 179.417 176.870 0.187 0.000 1.108 63 L CA 0.063 54.975 54.840 0.120 0.000 0.830 63 L CB 0.066 42.150 42.059 0.042 0.000 0.959 63 L HN 0.011 nan 8.230 nan 0.000 0.457 64 V N 0.339 120.378 119.914 0.208 0.000 2.255 64 V HA -0.246 3.868 4.120 -0.010 0.000 0.247 64 V C 2.641 178.850 176.094 0.191 0.000 1.051 64 V CA 2.215 64.668 62.300 0.255 0.000 1.018 64 V CB -1.337 30.589 31.823 0.172 0.000 0.641 64 V HN 0.555 nan 8.190 nan 0.000 0.445 65 G N -0.262 108.604 108.800 0.110 0.000 2.491 65 G HA2 -0.286 3.668 3.960 -0.010 0.000 0.218 65 G HA3 -0.286 3.668 3.960 -0.010 0.000 0.218 65 G C 1.737 176.686 174.900 0.081 0.000 1.180 65 G CA 1.043 46.185 45.100 0.070 0.000 0.774 65 G HN 0.453 nan 8.290 nan 0.000 0.562 66 R N -1.477 119.079 120.500 0.093 0.000 2.096 66 R HA -0.089 4.245 4.340 -0.010 0.000 0.235 66 R C 2.275 178.661 176.300 0.144 0.000 1.127 66 R CA 1.215 57.359 56.100 0.074 0.000 0.968 66 R CB -0.356 29.972 30.300 0.046 0.000 0.861 66 R HN 0.497 nan 8.270 nan 0.000 0.440 67 W N 1.479 122.766 121.300 -0.022 0.000 2.355 67 W HA -0.069 4.585 4.660 -0.010 0.000 0.309 67 W C 1.731 178.233 176.519 -0.028 0.000 1.206 67 W CA 0.919 58.252 57.345 -0.020 0.000 1.284 67 W CB -0.623 28.844 29.460 0.012 0.000 1.145 67 W HN -0.041 nan 8.180 nan 0.000 0.502 68 I N 0.116 120.748 120.570 0.103 0.000 2.179 68 I HA -0.334 3.830 4.170 -0.010 0.000 0.242 68 I C 2.664 178.769 176.117 -0.020 0.000 1.088 68 I CA 1.549 62.826 61.300 -0.037 0.000 1.357 68 I CB -0.626 37.354 38.000 -0.033 0.000 1.051 68 I HN -0.119 nan 8.210 nan 0.000 0.409 69 R N 0.046 120.550 120.500 0.006 0.000 2.081 69 R HA -0.131 4.203 4.340 -0.010 0.000 0.235 69 R C 2.358 178.627 176.300 -0.051 0.000 1.131 69 R CA 1.996 58.088 56.100 -0.013 0.000 0.960 69 R CB -0.574 29.718 30.300 -0.013 0.000 0.856 69 R HN 0.357 nan 8.270 nan 0.000 0.436 70 T N 1.071 115.572 114.554 -0.088 0.000 2.684 70 T HA -0.145 4.199 4.350 -0.010 0.000 0.267 70 T C 1.777 176.214 174.700 -0.438 0.000 1.036 70 T CA 1.104 63.041 62.100 -0.272 0.000 1.148 70 T CB -0.102 68.650 68.868 -0.193 0.000 0.863 70 T HN 0.203 nan 8.240 nan 0.000 0.436 71 Q N 0.730 120.426 119.800 -0.173 0.000 2.119 71 Q HA -0.052 4.282 4.340 -0.010 0.000 0.201 71 Q C 2.342 178.356 176.000 0.024 0.000 0.972 71 Q CA 1.179 56.957 55.803 -0.042 0.000 0.847 71 Q CB -0.498 28.246 28.738 0.011 0.000 0.903 71 Q HN 0.485 nan 8.270 nan 0.000 0.433 72 Q N 0.232 120.032 119.800 0.001 0.000 2.079 72 Q HA -0.184 4.150 4.340 -0.010 0.000 0.200 72 Q C 1.910 177.983 176.000 0.122 0.000 0.974 72 Q CA 1.898 57.740 55.803 0.065 0.000 0.840 72 Q CB -0.371 28.386 28.738 0.032 0.000 0.898 72 Q HN 0.566 nan 8.270 nan 0.000 0.430 73 H N -1.006 118.029 119.070 -0.058 0.000 2.319 73 H HA -0.190 4.360 4.556 -0.010 0.000 0.299 73 H C 1.139 176.517 175.328 0.082 0.000 1.092 73 H CA 2.311 58.331 56.048 -0.046 0.000 1.302 73 H CB -0.285 29.379 29.762 -0.164 0.000 1.373 73 H HN 0.361 nan 8.280 nan 0.000 0.497 74 Y N -1.063 119.274 120.300 0.062 0.000 2.293 74 Y HA -0.177 4.367 4.550 -0.010 0.000 0.291 74 Y C 2.430 178.345 175.900 0.025 0.000 1.137 74 Y CA 1.019 59.127 58.100 0.013 0.000 1.202 74 Y CB -1.352 37.187 38.460 0.130 0.000 0.990 74 Y HN 0.367 nan 8.280 nan 0.000 0.537 75 Y N 1.066 121.434 120.300 0.113 0.000 2.181 75 Y HA -0.194 4.350 4.550 -0.010 0.000 0.288 75 Y C 2.026 177.921 175.900 -0.007 0.000 1.146 75 Y CA 1.846 59.972 58.100 0.044 0.000 1.164 75 Y CB -0.186 38.289 38.460 0.025 0.000 0.982 75 Y HN 0.191 nan 8.280 nan 0.000 0.515 76 E N -0.218 119.970 120.200 -0.020 0.000 2.028 76 E HA -0.168 4.176 4.350 -0.010 0.000 0.190 76 E C 2.119 178.620 176.600 -0.166 0.000 0.984 76 E CA 0.901 57.234 56.400 -0.111 0.000 0.800 76 E CB -0.183 29.511 29.700 -0.010 0.000 0.758 76 E HN 0.176 nan 8.360 nan 0.000 0.448 77 K N 1.268 121.544 120.400 -0.206 0.000 2.288 77 K HA -0.150 4.164 4.320 -0.010 0.000 0.201 77 K C -0.123 176.400 176.600 -0.129 0.000 1.048 77 K CA 0.801 56.969 56.287 -0.199 0.000 0.956 77 K CB -0.080 32.201 32.500 -0.366 0.000 0.746 77 K HN -0.010 nan 8.250 nan 0.000 0.461 78 D N 0.896 121.225 120.400 -0.118 0.000 2.735 78 D HA -0.118 4.517 4.640 -0.010 0.000 0.235 78 D C -2.373 173.889 176.300 -0.064 0.000 1.175 78 D CA 0.217 54.159 54.000 -0.097 0.000 0.683 78 D CB -0.075 40.639 40.800 -0.143 0.000 1.008 78 D HN 0.276 nan 8.370 nan 0.000 0.416 79 P HA 0.101 nan 4.420 nan 0.000 0.276 79 P C -0.118 177.142 177.300 -0.068 0.000 1.261 79 P CA -0.582 62.483 63.100 -0.058 0.000 0.800 79 P CB 0.628 32.282 31.700 -0.077 0.000 1.066 80 K N 1.242 121.607 120.400 -0.060 0.000 2.451 80 K HA 0.047 4.361 4.320 -0.010 0.000 0.280 80 K C 0.014 176.537 176.600 -0.128 0.000 1.020 80 K CA 0.052 56.299 56.287 -0.067 0.000 1.008 80 K CB 0.210 32.689 32.500 -0.036 0.000 0.917 80 K HN 0.308 nan 8.250 nan 0.000 0.478 81 R N 3.992 124.408 120.500 -0.140 0.000 2.368 81 R HA 0.344 4.678 4.340 -0.010 0.000 0.302 81 R C -0.446 175.624 176.300 -0.383 0.000 1.002 81 R CA -0.830 55.120 56.100 -0.251 0.000 0.929 81 R CB 0.937 31.101 30.300 -0.227 0.000 1.073 81 R HN 0.474 nan 8.270 nan 0.000 0.464 82 I N 4.025 124.306 120.570 -0.483 0.000 2.339 82 I HA 0.207 4.371 4.170 -0.010 0.000 0.290 82 I C -0.624 175.222 176.117 -0.451 0.000 0.994 82 I CA -0.855 60.107 61.300 -0.564 0.000 1.191 82 I CB 0.712 38.218 38.000 -0.824 0.000 1.343 82 I HN 0.527 nan 8.210 nan 0.000 0.458 83 Y N 6.009 126.276 120.300 -0.055 0.000 2.356 83 Y HA 0.288 4.832 4.550 -0.010 0.000 0.334 83 Y C -0.282 175.722 175.900 0.174 0.000 0.958 83 Y CA -0.659 57.529 58.100 0.147 0.000 1.196 83 Y CB 1.109 39.609 38.460 0.066 0.000 1.137 83 Y HN 0.403 nan 8.280 nan 0.000 0.485 84 Y N 4.610 125.096 120.300 0.309 0.000 2.518 84 Y HA 0.481 5.025 4.550 -0.010 0.000 0.344 84 Y C -1.274 174.903 175.900 0.462 0.000 0.982 84 Y CA -0.956 57.339 58.100 0.325 0.000 1.234 84 Y CB 0.276 38.926 38.460 0.317 0.000 1.114 84 Y HN 0.505 nan 8.280 nan 0.000 0.515 85 L N 4.899 126.195 121.223 0.121 0.000 2.264 85 L HA 0.505 4.839 4.340 -0.010 0.000 0.289 85 L C -0.174 176.747 176.870 0.085 0.000 1.044 85 L CA 0.100 55.073 54.840 0.222 0.000 0.807 85 L CB 1.415 43.562 42.059 0.146 0.000 1.192 85 L HN 0.555 nan 8.230 nan 0.000 0.425 86 S N 2.528 118.369 115.700 0.236 0.000 2.541 86 S HA 0.485 4.949 4.470 -0.010 0.000 0.271 86 S C 0.280 175.005 174.600 0.207 0.000 1.133 86 S CA -0.611 57.622 58.200 0.056 0.000 0.876 86 S CB 1.059 64.046 63.200 -0.355 0.000 1.105 86 S HN 0.487 nan 8.310 nan 0.000 0.470 87 L N 2.337 123.701 121.223 0.235 0.000 2.558 87 L HA 0.393 4.727 4.340 -0.010 0.000 0.225 87 L C 0.160 177.247 176.870 0.362 0.000 1.128 87 L CA 1.174 56.220 54.840 0.344 0.000 0.868 87 L CB -0.816 41.460 42.059 0.361 0.000 1.006 87 L HN 0.705 nan 8.230 nan 0.000 0.454 88 E N -0.853 119.430 120.200 0.139 0.000 2.290 88 E HA 0.361 4.705 4.350 -0.010 0.000 0.274 88 E C -1.530 174.957 176.600 -0.187 0.000 0.889 88 E CA -0.358 56.099 56.400 0.096 0.000 0.760 88 E CB 2.020 31.737 29.700 0.028 0.000 1.206 88 E HN -0.158 nan 8.360 nan 0.000 0.419 89 F N 2.223 122.283 119.950 0.184 0.000 2.610 89 F HA 0.195 4.716 4.527 -0.010 0.000 0.355 89 F C -0.726 175.163 175.800 0.148 0.000 1.140 89 F CA -0.763 57.332 58.000 0.158 0.000 1.037 89 F CB 0.977 40.061 39.000 0.141 0.000 1.287 89 F HN 0.490 nan 8.300 nan 0.000 0.457 90 Y N 5.350 125.723 120.300 0.122 0.000 2.724 90 Y HA 0.226 4.770 4.550 -0.010 0.000 0.332 90 Y C 0.927 176.850 175.900 0.037 0.000 1.276 90 Y CA -1.003 57.121 58.100 0.041 0.000 1.597 90 Y CB 0.315 38.785 38.460 0.017 0.000 1.584 90 Y HN 0.561 nan 8.280 nan 0.000 0.478 91 M N 1.061 120.767 119.600 0.177 0.000 2.349 91 M HA 0.113 4.587 4.480 -0.010 0.000 0.266 91 M C 1.506 177.764 176.300 -0.071 0.000 1.076 91 M CA 1.049 56.376 55.300 0.045 0.000 1.126 91 M CB -1.096 31.518 32.600 0.023 0.000 1.392 91 M HN 0.670 nan 8.290 nan 0.000 0.440 92 G N 1.256 110.005 108.800 -0.085 0.000 2.598 92 G HA2 -0.268 3.686 3.960 -0.010 0.000 0.244 92 G HA3 -0.268 3.686 3.960 -0.010 0.000 0.244 92 G C -0.274 174.558 174.900 -0.113 0.000 1.302 92 G CA -0.360 44.652 45.100 -0.147 0.000 0.903 92 G HN 0.436 nan 8.290 nan 0.000 0.575 93 R N -1.064 119.352 120.500 -0.139 0.000 2.637 93 R HA 0.591 4.925 4.340 -0.010 0.000 0.269 93 R C 1.083 177.243 176.300 -0.232 0.000 1.089 93 R CA 0.316 56.345 56.100 -0.118 0.000 1.177 93 R CB 0.594 30.836 30.300 -0.097 0.000 1.091 93 R HN 0.529 nan 8.270 nan 0.000 0.540 94 T N 0.588 114.938 114.554 -0.340 0.000 2.955 94 T HA 0.004 4.348 4.350 -0.010 0.000 0.251 94 T C 1.357 175.597 174.700 -0.768 0.000 1.002 94 T CA -0.192 61.472 62.100 -0.726 0.000 0.970 94 T CB 0.158 68.214 68.868 -1.353 0.000 1.091 94 T HN 0.316 nan 8.240 nan 0.000 0.495 95 L N 2.030 123.044 121.223 -0.349 0.000 1.970 95 L HA -0.023 4.311 4.340 -0.010 0.000 0.212 95 L C 2.424 179.240 176.870 -0.090 0.000 1.071 95 L CA 2.050 56.869 54.840 -0.034 0.000 0.751 95 L CB -0.678 41.601 42.059 0.367 0.000 0.889 95 L HN 0.184 nan 8.230 nan 0.000 0.432 96 Q N -0.710 119.039 119.800 -0.085 0.000 2.084 96 Q HA -0.253 4.081 4.340 -0.010 0.000 0.202 96 Q C 2.246 178.165 176.000 -0.135 0.000 0.978 96 Q CA 1.853 57.604 55.803 -0.086 0.000 0.844 96 Q CB -0.331 28.355 28.738 -0.086 0.000 0.898 96 Q HN 0.719 nan 8.270 nan 0.000 0.426 97 N N -0.932 117.646 118.700 -0.203 0.000 2.104 97 N HA -0.160 4.574 4.740 -0.010 0.000 0.190 97 N C 1.422 176.818 175.510 -0.190 0.000 1.024 97 N CA 1.896 54.820 53.050 -0.210 0.000 0.853 97 N CB 0.024 38.352 38.487 -0.265 0.000 1.008 97 N HN 0.226 nan 8.380 nan 0.000 0.424 98 T N 1.331 115.730 114.554 -0.259 0.000 2.708 98 T HA -0.080 4.264 4.350 -0.010 0.000 0.266 98 T C 2.077 176.710 174.700 -0.112 0.000 1.037 98 T CA 1.187 63.160 62.100 -0.213 0.000 1.146 98 T CB -0.101 68.594 68.868 -0.289 0.000 0.865 98 T HN 0.273 nan 8.240 nan 0.000 0.435 99 M N 0.548 120.097 119.600 -0.085 0.000 2.117 99 M HA -0.089 4.385 4.480 -0.010 0.000 0.262 99 M C 2.484 178.750 176.300 -0.057 0.000 1.065 99 M CA 1.256 56.522 55.300 -0.058 0.000 1.114 99 M CB -0.624 31.958 32.600 -0.031 0.000 1.361 99 M HN 0.100 nan 8.290 nan 0.000 0.408 100 V N 0.901 120.789 119.914 -0.043 0.000 2.295 100 V HA -0.277 3.837 4.120 -0.010 0.000 0.246 100 V C 1.980 178.094 176.094 0.033 0.000 1.049 100 V CA 1.776 64.083 62.300 0.011 0.000 1.024 100 V CB -0.833 31.001 31.823 0.019 0.000 0.648 100 V HN 0.502 nan 8.190 nan 0.000 0.447 101 N N -0.096 118.606 118.700 0.003 0.000 2.396 101 N HA 0.009 4.743 4.740 -0.010 0.000 0.180 101 N C 1.434 176.849 175.510 -0.158 0.000 1.028 101 N CA 0.986 54.019 53.050 -0.029 0.000 0.893 101 N CB 0.064 38.545 38.487 -0.011 0.000 0.967 101 N HN 0.421 nan 8.380 nan 0.000 0.440 102 L N 0.262 121.410 121.223 -0.124 0.000 2.667 102 L HA 0.296 4.630 4.340 -0.010 0.000 0.232 102 L C 0.674 177.461 176.870 -0.138 0.000 1.138 102 L CA -0.183 54.582 54.840 -0.124 0.000 0.921 102 L CB 0.039 42.050 42.059 -0.081 0.000 1.180 102 L HN -0.063 nan 8.230 nan 0.000 0.487 103 A N 0.501 123.233 122.820 -0.146 0.000 2.869 103 A HA -0.209 4.105 4.320 -0.010 0.000 0.280 103 A C 0.884 178.411 177.584 -0.096 0.000 1.458 103 A CA 0.964 52.928 52.037 -0.122 0.000 0.776 103 A CB -2.049 16.866 19.000 -0.142 0.000 1.028 103 A HN 0.446 nan 8.150 nan 0.000 0.547 104 L N -1.544 119.621 121.223 -0.097 0.000 2.693 104 L HA 0.169 4.503 4.340 -0.010 0.000 0.235 104 L C 1.914 178.745 176.870 -0.065 0.000 1.127 104 L CA 0.693 55.469 54.840 -0.107 0.000 0.914 104 L CB 0.057 42.013 42.059 -0.172 0.000 1.193 104 L HN 0.628 nan 8.230 nan 0.000 0.502 105 E N 1.270 121.443 120.200 -0.045 0.000 2.038 105 E HA -0.251 4.093 4.350 -0.010 0.000 0.195 105 E C 1.656 178.244 176.600 -0.021 0.000 1.000 105 E CA 1.858 58.242 56.400 -0.025 0.000 0.803 105 E CB 0.092 29.781 29.700 -0.019 0.000 0.750 105 E HN 0.512 nan 8.360 nan 0.000 0.448 106 N N -0.513 118.172 118.700 -0.025 0.000 2.120 106 N HA -0.168 4.566 4.740 -0.010 0.000 0.188 106 N C 1.790 177.286 175.510 -0.023 0.000 1.024 106 N CA 0.765 53.800 53.050 -0.025 0.000 0.852 106 N CB -0.107 38.364 38.487 -0.026 0.000 1.003 106 N HN 0.173 nan 8.380 nan 0.000 0.424 107 A N 0.478 123.282 122.820 -0.027 0.000 1.877 107 A HA -0.162 4.152 4.320 -0.010 0.000 0.216 107 A C 2.426 180.003 177.584 -0.011 0.000 1.186 107 A CA 1.122 53.146 52.037 -0.022 0.000 0.620 107 A CB -0.899 18.079 19.000 -0.036 0.000 0.822 107 A HN 0.470 nan 8.150 nan 0.000 0.443 108 C N -0.911 118.382 119.300 -0.012 0.000 2.440 108 C HA -0.052 4.402 4.460 -0.010 0.000 0.278 108 C C 2.462 177.457 174.990 0.008 0.000 1.295 108 C CA 1.002 60.025 59.018 0.008 0.000 1.738 108 C CB -1.089 26.666 27.740 0.025 0.000 1.987 108 C HN 0.688 nan 8.230 nan 0.000 0.492 109 D N 0.811 121.214 120.400 0.005 0.000 2.104 109 D HA -0.154 4.480 4.640 -0.010 0.000 0.194 109 D C 2.121 178.437 176.300 0.025 0.000 0.994 109 D CA 1.586 55.592 54.000 0.010 0.000 0.830 109 D CB -0.252 40.543 40.800 -0.008 0.000 0.959 109 D HN 0.467 nan 8.370 nan 0.000 0.452 110 E N 0.211 120.418 120.200 0.012 0.000 2.047 110 E HA -0.053 4.291 4.350 -0.010 0.000 0.191 110 E C 1.888 178.526 176.600 0.063 0.000 0.987 110 E CA 1.592 58.017 56.400 0.041 0.000 0.799 110 E CB -0.590 29.116 29.700 0.010 0.000 0.752 110 E HN 0.215 nan 8.360 nan 0.000 0.449 111 A N -0.052 122.774 122.820 0.009 0.000 1.883 111 A HA -0.237 4.077 4.320 -0.010 0.000 0.217 111 A C 2.513 180.024 177.584 -0.121 0.000 1.186 111 A CA 3.059 55.074 52.037 -0.037 0.000 0.624 111 A CB -1.561 17.423 19.000 -0.027 0.000 0.822 111 A HN 0.525 nan 8.150 nan 0.000 0.444 112 T N -3.472 111.003 114.554 -0.131 0.000 2.821 112 T HA -0.234 4.110 4.350 -0.010 0.000 0.267 112 T C 1.843 176.456 174.700 -0.145 0.000 1.046 112 T CA 1.549 63.510 62.100 -0.231 0.000 1.139 112 T CB -0.648 68.132 68.868 -0.146 0.000 0.871 112 T HN 0.514 nan 8.240 nan 0.000 0.454 113 Y N 2.102 122.321 120.300 -0.135 0.000 2.165 113 Y HA -0.146 4.399 4.550 -0.009 0.000 0.286 113 Y C 2.711 178.547 175.900 -0.107 0.000 1.155 113 Y CA 1.672 59.711 58.100 -0.102 0.000 1.164 113 Y CB -0.398 38.023 38.460 -0.066 0.000 0.978 113 Y HN 0.221 nan 8.280 nan 0.000 0.513 114 Q N -0.074 119.653 119.800 -0.122 0.000 2.291 114 Q HA -0.123 4.211 4.340 -0.010 0.000 0.205 114 Q C 1.846 177.703 176.000 -0.238 0.000 0.970 114 Q CA 1.362 57.054 55.803 -0.184 0.000 0.876 114 Q CB -0.076 28.633 28.738 -0.048 0.000 0.935 114 Q HN 0.546 nan 8.270 nan 0.000 0.455 115 L N -0.985 120.077 121.223 -0.269 0.000 2.591 115 L HA 0.163 4.497 4.340 -0.010 0.000 0.228 115 L C 0.971 177.656 176.870 -0.307 0.000 1.133 115 L CA 0.300 54.962 54.840 -0.297 0.000 0.880 115 L CB 0.098 41.893 42.059 -0.440 0.000 1.033 115 L HN 0.326 nan 8.230 nan 0.000 0.450 116 G N 0.784 109.387 108.800 -0.329 0.000 2.149 116 G HA2 -0.239 3.715 3.960 -0.010 0.000 0.235 116 G HA3 -0.239 3.715 3.960 -0.010 0.000 0.235 116 G C -0.200 174.561 174.900 -0.232 0.000 1.018 116 G CA -0.203 44.723 45.100 -0.290 0.000 0.728 116 G HN 0.223 nan 8.290 nan 0.000 0.508 117 L N -0.124 120.961 121.223 -0.229 0.000 2.354 117 L HA 0.591 4.925 4.340 -0.010 0.000 0.269 117 L C -0.631 176.214 176.870 -0.041 0.000 1.005 117 L CA -1.184 53.563 54.840 -0.155 0.000 0.819 117 L CB 1.960 43.870 42.059 -0.248 0.000 1.311 117 L HN 0.089 nan 8.230 nan 0.000 0.423 118 D N 2.415 122.822 120.400 0.012 0.000 2.396 118 D HA 0.159 4.793 4.640 -0.010 0.000 0.225 118 D C 0.700 177.035 176.300 0.059 0.000 1.121 118 D CA -0.205 53.827 54.000 0.053 0.000 0.853 118 D CB 1.427 42.261 40.800 0.058 0.000 1.043 118 D HN 0.524 nan 8.370 nan 0.000 0.500 119 M N 3.178 122.812 119.600 0.058 0.000 2.202 119 M HA -0.159 4.315 4.480 -0.010 0.000 0.262 119 M C 1.263 177.609 176.300 0.077 0.000 1.063 119 M CA 1.537 56.880 55.300 0.072 0.000 1.097 119 M CB 0.211 32.846 32.600 0.059 0.000 1.382 119 M HN 0.412 nan 8.290 nan 0.000 0.413 120 E N -0.099 120.136 120.200 0.058 0.000 2.106 120 E HA -0.204 4.140 4.350 -0.010 0.000 0.192 120 E C 1.819 178.451 176.600 0.054 0.000 0.984 120 E CA 1.324 57.753 56.400 0.049 0.000 0.806 120 E CB -0.119 29.605 29.700 0.040 0.000 0.750 120 E HN 0.671 nan 8.360 nan 0.000 0.458 121 E N 0.682 120.920 120.200 0.062 0.000 2.110 121 E HA -0.154 4.190 4.350 -0.010 0.000 0.193 121 E C 2.224 178.866 176.600 0.070 0.000 0.988 121 E CA 0.684 57.122 56.400 0.063 0.000 0.804 121 E CB -0.010 29.730 29.700 0.068 0.000 0.745 121 E HN 0.240 nan 8.360 nan 0.000 0.458 122 L N 0.767 122.055 121.223 0.109 0.000 2.056 122 L HA -0.179 4.155 4.340 -0.010 0.000 0.207 122 L C 2.248 179.186 176.870 0.113 0.000 1.078 122 L CA 1.193 56.133 54.840 0.167 0.000 0.749 122 L CB -0.457 41.755 42.059 0.255 0.000 0.901 122 L HN 0.124 nan 8.230 nan 0.000 0.433 123 E N -0.042 120.213 120.200 0.091 0.000 2.153 123 E HA -0.204 4.140 4.350 -0.010 0.000 0.194 123 E C 1.953 178.505 176.600 -0.080 0.000 0.988 123 E CA 0.844 57.266 56.400 0.036 0.000 0.811 123 E CB 0.032 29.756 29.700 0.039 0.000 0.746 123 E HN 0.375 nan 8.360 nan 0.000 0.466 124 E N 0.403 120.573 120.200 -0.050 0.000 2.409 124 E HA -0.122 4.222 4.350 -0.010 0.000 0.198 124 E C 1.859 178.384 176.600 -0.123 0.000 1.024 124 E CA 0.446 56.814 56.400 -0.052 0.000 0.861 124 E CB 0.068 29.776 29.700 0.014 0.000 0.788 124 E HN 0.343 nan 8.360 nan 0.000 0.521 125 I N 0.772 121.201 120.570 -0.235 0.000 2.439 125 I HA -0.104 4.060 4.170 -0.010 0.000 0.251 125 I C 1.324 177.126 176.117 -0.525 0.000 1.139 125 I CA 0.394 61.483 61.300 -0.351 0.000 1.438 125 I CB -0.763 37.012 38.000 -0.375 0.000 1.085 125 I HN 0.107 nan 8.210 nan 0.000 0.427 126 E N 2.840 122.603 120.200 -0.729 0.000 2.376 126 E HA -0.041 4.303 4.350 -0.010 0.000 0.266 126 E C -0.098 176.412 176.600 -0.150 0.000 1.009 126 E CA -0.150 55.912 56.400 -0.562 0.000 0.902 126 E CB 0.704 30.182 29.700 -0.371 0.000 0.972 126 E HN 0.136 nan 8.360 nan 0.000 0.439 127 E N 3.499 123.706 120.200 0.011 0.000 2.354 127 E HA 0.049 4.393 4.350 -0.010 0.000 0.269 127 E C -0.733 175.957 176.600 0.149 0.000 1.036 127 E CA -0.224 56.260 56.400 0.139 0.000 0.876 127 E CB 0.635 30.508 29.700 0.288 0.000 1.009 127 E HN 0.489 nan 8.360 nan 0.000 0.416 128 D N 0.810 121.271 120.400 0.101 0.000 2.455 128 D HA 0.132 4.766 4.640 -0.010 0.000 0.241 128 D C -0.254 176.085 176.300 0.065 0.000 1.138 128 D CA 0.200 54.231 54.000 0.052 0.000 0.877 128 D CB 0.533 41.339 40.800 0.010 0.000 1.187 128 D HN 0.387 nan 8.370 nan 0.000 0.451 129 A N 2.427 125.239 122.820 -0.014 0.000 2.671 129 A HA 0.457 4.771 4.320 -0.010 0.000 0.306 129 A C 1.047 178.491 177.584 -0.233 0.000 1.473 129 A CA -0.369 51.477 52.037 -0.319 0.000 1.155 129 A CB -0.385 18.483 19.000 -0.218 0.000 1.123 129 A HN 0.545 nan 8.150 nan 0.000 0.545 130 G N 2.010 110.648 108.800 -0.269 0.000 3.943 130 G HA2 0.418 4.372 3.960 -0.010 0.000 0.275 130 G HA3 0.418 4.372 3.960 -0.010 0.000 0.275 130 G C 0.307 175.096 174.900 -0.185 0.000 1.234 130 G CA -0.305 44.784 45.100 -0.020 0.000 1.522 130 G HN 0.683 nan 8.290 nan 0.000 0.636 131 L N 1.306 122.440 121.223 -0.149 0.000 2.862 131 L HA 0.375 4.709 4.340 -0.010 0.000 0.240 131 L C 1.077 177.934 176.870 -0.020 0.000 1.283 131 L CA -0.204 54.617 54.840 -0.031 0.000 1.117 131 L CB -0.240 41.885 42.059 0.110 0.000 1.444 131 L HN 0.334 nan 8.230 nan 0.000 0.456 132 G N -1.427 107.164 108.800 -0.349 0.000 2.660 132 G HA2 0.191 4.145 3.960 -0.010 0.000 0.290 132 G HA3 0.191 4.145 3.960 -0.010 0.000 0.290 132 G C -0.111 174.272 174.900 -0.861 0.000 1.432 132 G CA -0.451 44.350 45.100 -0.498 0.000 0.807 132 G HN -0.110 nan 8.290 nan 0.000 0.485 133 N N -0.791 117.604 118.700 -0.509 0.000 2.387 133 N HA 0.195 4.930 4.740 -0.010 0.000 0.176 133 N C 1.158 176.538 175.510 -0.217 0.000 1.022 133 N CA 1.359 54.216 53.050 -0.322 0.000 0.883 133 N CB 1.089 39.536 38.487 -0.066 0.000 1.019 133 N HN 0.838 nan 8.380 nan 0.000 0.435 134 G N -0.777 107.975 108.800 -0.081 0.000 2.825 134 G HA2 0.172 4.127 3.960 -0.010 0.000 0.100 134 G HA3 0.172 4.127 3.960 -0.010 0.000 0.100 134 G C 0.712 175.772 174.900 0.268 0.000 1.195 134 G CA 0.209 45.466 45.100 0.262 0.000 1.317 134 G HN 0.147 nan 8.290 nan 0.000 0.632 135 G N 0.336 109.230 108.800 0.156 0.000 2.440 135 G HA2 -0.045 3.909 3.960 -0.010 0.000 0.218 135 G HA3 -0.045 3.909 3.960 -0.010 0.000 0.218 135 G C 1.878 176.796 174.900 0.029 0.000 1.154 135 G CA 1.522 46.673 45.100 0.085 0.000 0.767 135 G HN 0.732 nan 8.290 nan 0.000 0.552 136 L N 0.624 121.842 121.223 -0.008 0.000 2.017 136 L HA 0.110 4.444 4.340 -0.010 0.000 0.208 136 L C 2.871 179.676 176.870 -0.108 0.000 1.073 136 L CA 1.978 56.734 54.840 -0.140 0.000 0.745 136 L CB -0.551 41.395 42.059 -0.188 0.000 0.894 136 L HN 0.226 nan 8.230 nan 0.000 0.432 137 G N -0.795 107.991 108.800 -0.024 0.000 2.408 137 G HA2 -0.303 3.651 3.960 -0.010 0.000 0.217 137 G HA3 -0.303 3.651 3.960 -0.010 0.000 0.217 137 G C 1.644 176.617 174.900 0.122 0.000 1.150 137 G CA 0.720 45.824 45.100 0.005 0.000 0.776 137 G HN 0.283 nan 8.290 nan 0.000 0.542 138 R N 0.026 120.656 120.500 0.217 0.000 2.092 138 R HA 0.116 4.450 4.340 -0.010 0.000 0.231 138 R C 2.336 178.657 176.300 0.035 0.000 1.119 138 R CA 0.853 57.059 56.100 0.176 0.000 0.970 138 R CB -0.932 29.457 30.300 0.150 0.000 0.864 138 R HN 0.324 nan 8.270 nan 0.000 0.440 139 L N 0.268 121.437 121.223 -0.091 0.000 2.012 139 L HA -0.076 4.258 4.340 -0.010 0.000 0.210 139 L C 2.120 178.685 176.870 -0.508 0.000 1.073 139 L CA 2.276 56.905 54.840 -0.352 0.000 0.748 139 L CB -0.920 40.889 42.059 -0.417 0.000 0.891 139 L HN 0.270 nan 8.230 nan 0.000 0.431 140 A N -0.637 122.014 122.820 -0.281 0.000 1.908 140 A HA -0.203 4.111 4.320 -0.010 0.000 0.218 140 A C 2.441 180.073 177.584 0.080 0.000 1.181 140 A CA 2.112 54.057 52.037 -0.154 0.000 0.627 140 A CB -1.217 17.628 19.000 -0.259 0.000 0.818 140 A HN 0.594 nan 8.150 nan 0.000 0.445 141 A N -1.112 121.793 122.820 0.143 0.000 1.873 141 A HA -0.151 4.163 4.320 -0.010 0.000 0.215 141 A C 2.322 179.989 177.584 0.139 0.000 1.186 141 A CA 1.635 53.791 52.037 0.197 0.000 0.616 141 A CB -1.290 17.815 19.000 0.174 0.000 0.823 141 A HN 0.610 nan 8.150 nan 0.000 0.442 142 C N -1.423 117.955 119.300 0.131 0.000 2.425 142 C HA -0.079 4.375 4.460 -0.010 0.000 0.277 142 C C 2.432 177.588 174.990 0.277 0.000 1.280 142 C CA 0.649 59.782 59.018 0.192 0.000 1.744 142 C CB -1.640 26.233 27.740 0.222 0.000 1.989 142 C HN 0.600 nan 8.230 nan 0.000 0.491 143 F N 0.553 120.491 119.950 -0.021 0.000 2.102 143 F HA -0.081 4.440 4.527 -0.010 0.000 0.298 143 F C 2.134 177.881 175.800 -0.090 0.000 1.105 143 F CA 1.055 58.986 58.000 -0.115 0.000 1.239 143 F CB -1.441 37.337 39.000 -0.370 0.000 0.991 143 F HN 0.088 nan 8.300 nan 0.000 0.474 144 L N 0.396 121.706 121.223 0.145 0.000 2.013 144 L HA -0.259 4.075 4.340 -0.010 0.000 0.212 144 L C 2.204 179.097 176.870 0.038 0.000 1.073 144 L CA 2.104 56.988 54.840 0.073 0.000 0.753 144 L CB -1.417 40.694 42.059 0.086 0.000 0.890 144 L HN 0.142 nan 8.230 nan 0.000 0.432 145 D N -1.556 118.876 120.400 0.053 0.000 2.104 145 D HA -0.182 4.452 4.640 -0.010 0.000 0.194 145 D C 2.176 178.500 176.300 0.041 0.000 0.994 145 D CA 1.587 55.603 54.000 0.027 0.000 0.830 145 D CB 0.135 40.950 40.800 0.025 0.000 0.959 145 D HN 0.204 nan 8.370 nan 0.000 0.452 146 S N -0.825 114.917 115.700 0.070 0.000 2.383 146 S HA -0.092 4.372 4.470 -0.010 0.000 0.227 146 S C 1.992 176.613 174.600 0.035 0.000 1.026 146 S CA 0.832 59.065 58.200 0.056 0.000 0.981 146 S CB -0.218 63.023 63.200 0.069 0.000 0.818 146 S HN 0.338 nan 8.310 nan 0.000 0.472 147 M N 0.927 120.542 119.600 0.024 0.000 2.159 147 M HA -0.110 4.364 4.480 -0.010 0.000 0.263 147 M C 2.432 178.739 176.300 0.012 0.000 1.063 147 M CA 1.428 56.739 55.300 0.018 0.000 1.110 147 M CB -0.498 32.096 32.600 -0.011 0.000 1.374 147 M HN 0.400 nan 8.290 nan 0.000 0.411 148 A N -0.321 122.503 122.820 0.007 0.000 1.898 148 A HA -0.118 4.196 4.320 -0.010 0.000 0.216 148 A C 2.158 179.762 177.584 0.033 0.000 1.181 148 A CA 2.000 54.045 52.037 0.014 0.000 0.620 148 A CB -1.057 17.936 19.000 -0.012 0.000 0.819 148 A HN 0.412 nan 8.150 nan 0.000 0.442 149 T N 0.329 114.906 114.554 0.039 0.000 2.833 149 T HA -0.024 4.320 4.350 -0.010 0.000 0.269 149 T C 1.352 176.084 174.700 0.053 0.000 1.054 149 T CA 1.161 63.295 62.100 0.058 0.000 1.135 149 T CB -0.283 68.628 68.868 0.072 0.000 0.869 149 T HN 0.337 nan 8.240 nan 0.000 0.466 150 L N 0.464 121.716 121.223 0.049 0.000 2.629 150 L HA 0.282 4.616 4.340 -0.010 0.000 0.230 150 L C 1.657 178.563 176.870 0.059 0.000 1.151 150 L CA -0.009 54.862 54.840 0.051 0.000 0.924 150 L CB -0.431 41.658 42.059 0.050 0.000 1.137 150 L HN 0.416 nan 8.230 nan 0.000 0.457 151 G N 0.981 109.819 108.800 0.064 0.000 2.225 151 G HA2 -0.285 3.669 3.960 -0.010 0.000 0.267 151 G HA3 -0.285 3.669 3.960 -0.010 0.000 0.267 151 G C 0.164 175.122 174.900 0.097 0.000 1.024 151 G CA 0.003 45.161 45.100 0.097 0.000 0.784 151 G HN 0.286 nan 8.290 nan 0.000 0.507 152 L N -0.096 121.147 121.223 0.034 0.000 2.350 152 L HA 0.580 4.914 4.340 -0.010 0.000 0.275 152 L C 1.268 177.990 176.870 -0.247 0.000 1.099 152 L CA -0.277 54.526 54.840 -0.062 0.000 0.808 152 L CB 1.492 43.534 42.059 -0.029 0.000 1.149 152 L HN 0.255 nan 8.230 nan 0.000 0.442 153 A N 3.159 125.671 122.820 -0.513 0.000 3.026 153 A HA 0.525 4.839 4.320 -0.010 0.000 0.272 153 A C 0.376 177.562 177.584 -0.664 0.000 1.782 153 A CA -0.128 51.278 52.037 -1.052 0.000 1.451 153 A CB -0.710 17.633 19.000 -1.095 0.000 1.081 153 A HN 0.709 nan 8.150 nan 0.000 0.611 154 A N 1.327 123.780 122.820 -0.611 0.000 2.337 154 A HA 0.773 5.087 4.320 -0.010 0.000 0.329 154 A C -1.087 176.142 177.584 -0.593 0.000 1.146 154 A CA -0.451 51.308 52.037 -0.463 0.000 0.800 154 A CB 0.762 19.595 19.000 -0.279 0.000 1.220 154 A HN 0.590 nan 8.150 nan 0.000 0.472 155 Y N 0.700 120.919 120.300 -0.135 0.000 2.329 155 Y HA 0.503 5.047 4.550 -0.010 0.000 0.328 155 Y C 0.899 176.900 175.900 0.169 0.000 0.992 155 Y CA -0.483 57.622 58.100 0.009 0.000 1.151 155 Y CB 2.182 40.715 38.460 0.122 0.000 1.150 155 Y HN 0.850 nan 8.280 nan 0.000 0.450 156 G N 2.430 111.325 108.800 0.158 0.000 2.370 156 G HA2 0.364 4.318 3.960 -0.010 0.000 0.272 156 G HA3 0.364 4.318 3.960 -0.010 0.000 0.272 156 G C -1.561 173.358 174.900 0.033 0.000 1.208 156 G CA -0.063 45.156 45.100 0.199 0.000 0.856 156 G HN 0.545 nan 8.290 nan 0.000 0.500 157 Y N 0.961 121.476 120.300 0.359 0.000 2.361 157 Y HA 0.607 5.151 4.550 -0.010 0.000 0.337 157 Y C 0.717 176.922 175.900 0.508 0.000 0.965 157 Y CA 0.193 58.481 58.100 0.312 0.000 1.091 157 Y CB 2.671 41.357 38.460 0.377 0.000 1.182 157 Y HN 0.899 nan 8.280 nan 0.000 0.450 158 G N 2.330 111.440 108.800 0.517 0.000 2.753 158 G HA2 0.588 4.542 3.960 -0.010 0.000 0.303 158 G HA3 0.588 4.542 3.960 -0.010 0.000 0.303 158 G C -1.762 173.379 174.900 0.402 0.000 1.242 158 G CA -0.842 44.605 45.100 0.578 0.000 0.810 158 G HN 0.423 nan 8.290 nan 0.000 0.515 159 I N 0.608 121.318 120.570 0.234 0.000 2.441 159 I HA 0.430 4.595 4.170 -0.010 0.000 0.295 159 I C 0.312 176.351 176.117 -0.131 0.000 0.994 159 I CA -0.725 60.607 61.300 0.053 0.000 1.144 159 I CB 2.197 40.045 38.000 -0.254 0.000 1.314 159 I HN 0.357 nan 8.210 nan 0.000 0.445 160 R N 6.167 126.691 120.500 0.040 0.000 2.612 160 R HA 0.206 4.540 4.340 -0.010 0.000 0.273 160 R C -1.149 175.213 176.300 0.105 0.000 1.376 160 R CA -0.441 55.712 56.100 0.089 0.000 1.171 160 R CB -0.115 30.209 30.300 0.040 0.000 1.151 160 R HN 0.402 nan 8.270 nan 0.000 0.560 161 Y N 1.418 121.886 120.300 0.279 0.000 2.610 161 Y HA -0.117 4.427 4.550 -0.010 0.000 0.332 161 Y C 1.620 177.699 175.900 0.297 0.000 1.201 161 Y CA 0.226 58.476 58.100 0.252 0.000 1.465 161 Y CB 0.648 39.236 38.460 0.214 0.000 1.283 161 Y HN 0.584 nan 8.280 nan 0.000 0.563 162 E N 2.156 122.510 120.200 0.257 0.000 2.150 162 E HA -0.087 4.257 4.350 -0.010 0.000 0.193 162 E C -0.749 175.656 176.600 -0.325 0.000 0.985 162 E CA 0.755 57.066 56.400 -0.148 0.000 0.814 162 E CB 0.147 29.614 29.700 -0.388 0.000 0.752 162 E HN 0.510 nan 8.360 nan 0.000 0.466 163 F N -0.295 119.895 119.950 0.400 0.000 2.507 163 F HA 0.440 4.961 4.527 -0.010 0.000 0.328 163 F C 0.789 176.702 175.800 0.189 0.000 1.136 163 F CA -0.888 57.305 58.000 0.322 0.000 0.930 163 F CB 1.829 40.941 39.000 0.187 0.000 1.166 163 F HN -0.103 nan 8.300 nan 0.000 0.436 164 G N 1.830 110.767 108.800 0.228 0.000 2.546 164 G HA2 0.300 4.254 3.960 -0.010 0.000 0.239 164 G HA3 0.300 4.254 3.960 -0.010 0.000 0.239 164 G C -0.459 174.428 174.900 -0.022 0.000 1.476 164 G CA -0.626 44.453 45.100 -0.034 0.000 1.064 164 G HN 0.554 nan 8.290 nan 0.000 0.561 165 I N 0.941 121.433 120.570 -0.129 0.000 2.683 165 I HA 0.208 4.372 4.170 -0.010 0.000 0.286 165 I C 0.553 176.607 176.117 -0.104 0.000 1.175 165 I CA -1.075 60.126 61.300 -0.165 0.000 1.429 165 I CB -0.273 37.538 38.000 -0.315 0.000 1.371 165 I HN 0.328 nan 8.210 nan 0.000 0.569 166 F N 5.261 125.230 119.950 0.031 0.000 2.595 166 F HA 0.175 4.697 4.527 -0.010 0.000 0.359 166 F C 0.418 176.273 175.800 0.091 0.000 1.147 166 F CA -0.554 57.482 58.000 0.060 0.000 1.341 166 F CB -0.603 38.416 39.000 0.032 0.000 1.104 166 F HN 0.517 nan 8.300 nan 0.000 0.603 167 N N 2.219 121.083 118.700 0.272 0.000 2.475 167 N HA 0.032 4.766 4.740 -0.010 0.000 0.267 167 N C -0.768 174.963 175.510 0.368 0.000 1.169 167 N CA -0.476 52.709 53.050 0.225 0.000 0.947 167 N CB 0.523 39.136 38.487 0.210 0.000 1.061 167 N HN 0.676 nan 8.380 nan 0.000 0.466 168 Q N 2.830 122.810 119.800 0.299 0.000 2.296 168 Q HA 0.153 4.487 4.340 -0.010 0.000 0.257 168 Q C -0.989 175.180 176.000 0.281 0.000 0.942 168 Q CA -0.478 55.554 55.803 0.382 0.000 0.939 168 Q CB 0.579 29.531 28.738 0.358 0.000 1.198 168 Q HN 0.310 nan 8.270 nan 0.000 0.429 169 K N 4.094 124.641 120.400 0.244 0.000 2.164 169 K HA 0.474 4.788 4.320 -0.010 0.000 0.258 169 K C -0.507 176.194 176.600 0.169 0.000 0.951 169 K CA -0.812 55.592 56.287 0.195 0.000 0.844 169 K CB 1.494 34.087 32.500 0.155 0.000 1.099 169 K HN 0.612 nan 8.250 nan 0.000 0.435 170 I N 2.445 123.106 120.570 0.150 0.000 2.330 170 I HA 0.235 4.399 4.170 -0.010 0.000 0.289 170 I C -0.371 175.805 176.117 0.098 0.000 1.001 170 I CA -0.619 60.741 61.300 0.099 0.000 1.193 170 I CB 0.724 38.764 38.000 0.066 0.000 1.345 170 I HN 0.399 nan 8.210 nan 0.000 0.461 171 C N 3.704 123.072 119.300 0.113 0.000 2.397 171 C HA 0.584 5.038 4.460 -0.010 0.000 0.325 171 C C 1.075 176.171 174.990 0.177 0.000 1.201 171 C CA -0.517 58.573 59.018 0.120 0.000 1.377 171 C CB 0.760 28.563 27.740 0.104 0.000 2.038 171 C HN 1.091 nan 8.230 nan 0.000 0.457 172 G N 2.156 111.038 108.800 0.136 0.000 2.225 172 G HA2 0.125 4.079 3.960 -0.010 0.000 0.267 172 G HA3 0.125 4.079 3.960 -0.010 0.000 0.267 172 G C 1.102 176.055 174.900 0.090 0.000 1.024 172 G CA 1.091 46.291 45.100 0.167 0.000 0.784 172 G HN 2.509 nan 8.290 nan 0.000 0.507 173 G N -3.046 105.737 108.800 -0.028 0.000 2.179 173 G HA2 -0.273 3.681 3.960 -0.010 0.000 0.260 173 G HA3 -0.273 3.681 3.960 -0.010 0.000 0.260 173 G C 0.278 174.948 174.900 -0.384 0.000 0.977 173 G CA 0.636 45.594 45.100 -0.238 0.000 0.641 173 G HN 1.201 nan 8.290 nan 0.000 0.533 174 W N 0.522 121.764 121.300 -0.097 0.000 2.627 174 W HA 0.666 5.320 4.660 -0.010 0.000 0.339 174 W C 0.558 177.015 176.519 -0.105 0.000 1.058 174 W CA -0.984 56.295 57.345 -0.110 0.000 1.223 174 W CB 0.926 30.342 29.460 -0.073 0.000 1.389 174 W HN 0.243 nan 8.180 nan 0.000 0.541 175 Q N 3.077 122.964 119.800 0.144 0.000 2.313 175 Q HA 0.220 4.555 4.340 -0.010 0.000 0.266 175 Q C -0.599 175.461 176.000 0.101 0.000 0.989 175 Q CA 0.270 56.135 55.803 0.103 0.000 0.890 175 Q CB 0.541 29.332 28.738 0.089 0.000 1.200 175 Q HN 0.313 nan 8.270 nan 0.000 0.396 176 M N 3.216 122.873 119.600 0.094 0.000 2.465 176 M HA 0.372 4.846 4.480 -0.010 0.000 0.316 176 M C -1.130 175.192 176.300 0.038 0.000 1.121 176 M CA -0.664 54.658 55.300 0.038 0.000 0.934 176 M CB 1.794 34.426 32.600 0.053 0.000 1.692 176 M HN 0.611 nan 8.290 nan 0.000 0.444 177 E N 1.792 121.941 120.200 -0.085 0.000 2.175 177 E HA 0.454 4.798 4.350 -0.010 0.000 0.278 177 E C -0.736 175.866 176.600 0.003 0.000 0.969 177 E CA -0.444 55.879 56.400 -0.127 0.000 0.796 177 E CB 1.493 30.865 29.700 -0.548 0.000 1.104 177 E HN 0.252 nan 8.360 nan 0.000 0.395 178 E N 0.926 121.209 120.200 0.138 0.000 2.288 178 E HA 0.504 4.848 4.350 -0.010 0.000 0.268 178 E C -0.771 175.911 176.600 0.137 0.000 0.885 178 E CA -1.149 55.312 56.400 0.102 0.000 0.767 178 E CB 1.881 31.651 29.700 0.115 0.000 1.220 178 E HN 0.531 nan 8.360 nan 0.000 0.427 179 A N 1.600 124.446 122.820 0.043 0.000 2.546 179 A HA 0.004 4.318 4.320 -0.010 0.000 0.243 179 A C 0.166 177.887 177.584 0.228 0.000 1.063 179 A CA 0.066 52.114 52.037 0.018 0.000 0.757 179 A CB -0.280 18.542 19.000 -0.297 0.000 0.991 179 A HN 0.516 nan 8.150 nan 0.000 0.503 180 D N 1.951 122.566 120.400 0.358 0.000 2.483 180 D HA 0.171 4.805 4.640 -0.010 0.000 0.220 180 D C -0.343 176.330 176.300 0.622 0.000 1.173 180 D CA -0.137 54.108 54.000 0.409 0.000 0.964 180 D CB 0.296 41.275 40.800 0.300 0.000 1.046 180 D HN 0.388 nan 8.370 nan 0.000 0.517 181 D N 3.896 124.616 120.400 0.532 0.000 2.801 181 D HA -0.020 4.614 4.640 -0.010 0.000 0.232 181 D C 1.115 177.582 176.300 0.279 0.000 1.128 181 D CA -0.563 53.701 54.000 0.440 0.000 1.003 181 D CB -0.190 40.834 40.800 0.373 0.000 1.110 181 D HN 0.555 nan 8.370 nan 0.000 0.477 182 W N 1.659 123.024 121.300 0.109 0.000 2.525 182 W HA -0.035 4.619 4.660 -0.010 0.000 0.259 182 W C 0.099 176.682 176.519 0.108 0.000 1.253 182 W CA 0.117 57.533 57.345 0.118 0.000 1.262 182 W CB -0.737 28.793 29.460 0.117 0.000 1.122 182 W HN 0.174 nan 8.180 nan 0.000 0.607 183 L N 1.058 121.945 121.223 -0.561 0.000 2.628 183 L HA 0.208 4.542 4.340 -0.010 0.000 0.229 183 L C 2.706 179.422 176.870 -0.257 0.000 1.137 183 L CA -0.072 54.415 54.840 -0.589 0.000 0.909 183 L CB -0.641 40.916 42.059 -0.837 0.000 1.137 183 L HN -0.109 nan 8.230 nan 0.000 0.470 184 R N 0.711 121.122 120.500 -0.149 0.000 2.113 184 R HA -0.230 4.104 4.340 -0.010 0.000 0.244 184 R C 1.212 177.322 176.300 -0.317 0.000 1.142 184 R CA 2.126 58.086 56.100 -0.232 0.000 0.953 184 R CB -0.180 29.958 30.300 -0.270 0.000 0.860 184 R HN 0.320 nan 8.270 nan 0.000 0.438 185 Y N -0.346 119.979 120.300 0.042 0.000 2.468 185 Y HA 0.341 4.885 4.550 -0.010 0.000 0.268 185 Y C 0.753 176.634 175.900 -0.032 0.000 1.177 185 Y CA 0.358 58.479 58.100 0.036 0.000 1.265 185 Y CB 0.865 39.460 38.460 0.225 0.000 1.103 185 Y HN 0.441 nan 8.280 nan 0.000 0.522 186 G N 1.409 110.243 108.800 0.058 0.000 2.712 186 G HA2 -0.250 3.704 3.960 -0.010 0.000 0.686 186 G HA3 -0.250 3.704 3.960 -0.010 0.000 0.686 186 G C -1.119 173.845 174.900 0.107 0.000 1.321 186 G CA -0.819 44.280 45.100 -0.001 0.000 0.813 186 G HN 0.271 nan 8.290 nan 0.000 0.599 187 N N 1.352 120.060 118.700 0.013 0.000 2.511 187 N HA 0.562 5.296 4.740 -0.010 0.000 0.249 187 N C -0.651 174.872 175.510 0.022 0.000 0.971 187 N CA -2.133 50.959 53.050 0.070 0.000 0.938 187 N CB 1.830 40.305 38.487 -0.021 0.000 1.131 187 N HN 0.252 nan 8.380 nan 0.000 0.505 188 P HA 0.045 nan 4.420 nan 0.000 0.237 188 P C 0.478 177.442 177.300 -0.560 0.000 1.178 188 P CA 0.625 63.423 63.100 -0.503 0.000 0.766 188 P CB 0.079 31.199 31.700 -0.967 0.000 0.876 189 W N 1.693 123.012 121.300 0.032 0.000 2.630 189 W HA 0.086 4.741 4.660 -0.009 0.000 0.271 189 W C 1.206 177.765 176.519 0.067 0.000 1.244 189 W CA -0.349 57.006 57.345 0.017 0.000 1.353 189 W CB -0.160 29.311 29.460 0.018 0.000 1.080 189 W HN -0.045 nan 8.180 nan 0.000 0.594 190 E N 1.819 122.202 120.200 0.305 0.000 2.349 190 E HA 0.268 4.612 4.350 -0.010 0.000 0.265 190 E C -0.557 176.220 176.600 0.294 0.000 1.064 190 E CA -0.639 55.948 56.400 0.313 0.000 0.886 190 E CB 1.178 31.077 29.700 0.331 0.000 1.036 190 E HN -0.327 nan 8.360 nan 0.000 0.413 191 K N 1.786 122.382 120.400 0.325 0.000 2.425 191 K HA 0.392 4.706 4.320 -0.010 0.000 0.259 191 K C -1.105 175.533 176.600 0.063 0.000 0.978 191 K CA -0.503 55.908 56.287 0.206 0.000 0.883 191 K CB 1.355 33.988 32.500 0.222 0.000 1.110 191 K HN 0.654 nan 8.250 nan 0.000 0.436 192 A N 4.434 127.209 122.820 -0.075 0.000 2.520 192 A HA 0.268 4.582 4.320 -0.010 0.000 0.245 192 A C -0.248 177.135 177.584 -0.336 0.000 1.072 192 A CA -0.027 51.704 52.037 -0.510 0.000 0.761 192 A CB 0.169 18.875 19.000 -0.490 0.000 1.004 192 A HN 0.664 nan 8.150 nan 0.000 0.499 193 R N 3.553 123.832 120.500 -0.368 0.000 2.868 193 R HA 0.210 4.544 4.340 -0.010 0.000 0.289 193 R C -2.351 173.802 176.300 -0.245 0.000 1.443 193 R CA -1.824 54.131 56.100 -0.242 0.000 1.651 193 R CB 0.640 30.941 30.300 0.002 0.000 1.242 193 R HN 0.565 nan 8.270 nan 0.000 0.621 194 P HA -0.168 nan 4.420 nan 0.000 0.222 194 P C 0.942 178.149 177.300 -0.156 0.000 1.147 194 P CA 1.032 64.039 63.100 -0.154 0.000 0.790 194 P CB 0.386 32.006 31.700 -0.132 0.000 0.780 195 E N 0.264 120.263 120.200 -0.334 0.000 2.268 195 E HA -0.146 4.198 4.350 -0.010 0.000 0.195 195 E C 0.945 177.371 176.600 -0.290 0.000 0.995 195 E CA 0.876 57.034 56.400 -0.404 0.000 0.836 195 E CB -1.045 28.267 29.700 -0.648 0.000 0.763 195 E HN 0.375 nan 8.360 nan 0.000 0.491 196 F N 1.868 121.832 119.950 0.023 0.000 2.684 196 F HA 0.232 4.753 4.527 -0.010 0.000 0.298 196 F C 0.484 176.378 175.800 0.158 0.000 1.120 196 F CA -0.698 57.345 58.000 0.072 0.000 1.332 196 F CB 0.571 39.604 39.000 0.055 0.000 0.986 196 F HN -0.280 nan 8.300 nan 0.000 0.524 197 T N 3.147 117.847 114.554 0.245 0.000 2.928 197 T HA 0.318 4.662 4.350 -0.010 0.000 0.305 197 T C -0.039 174.770 174.700 0.182 0.000 1.035 197 T CA 0.401 62.644 62.100 0.238 0.000 1.145 197 T CB 0.714 69.670 68.868 0.146 0.000 0.963 197 T HN 0.088 nan 8.240 nan 0.000 0.545 198 L N 5.203 126.500 121.223 0.123 0.000 2.370 198 L HA 0.518 4.852 4.340 -0.010 0.000 0.266 198 L C -2.270 174.549 176.870 -0.085 0.000 1.002 198 L CA -2.612 52.222 54.840 -0.010 0.000 0.818 198 L CB 2.472 44.461 42.059 -0.116 0.000 1.325 198 L HN 0.394 nan 8.230 nan 0.000 0.418 199 P HA 0.241 nan 4.420 nan 0.000 0.286 199 P C -1.055 176.082 177.300 -0.271 0.000 1.269 199 P CA -0.318 62.676 63.100 -0.175 0.000 0.787 199 P CB 1.787 33.382 31.700 -0.175 0.000 0.920 200 V N 4.533 124.271 119.914 -0.293 0.000 2.555 200 V HA 0.338 4.452 4.120 -0.010 0.000 0.302 200 V C 0.280 176.101 176.094 -0.455 0.000 1.038 200 V CA -0.611 61.496 62.300 -0.322 0.000 0.887 200 V CB 1.388 33.078 31.823 -0.220 0.000 0.991 200 V HN 0.600 nan 8.190 nan 0.000 0.434 201 H N 3.662 122.516 119.070 -0.361 0.000 2.472 201 H HA 0.616 5.166 4.556 -0.010 0.000 0.338 201 H C -1.300 173.651 175.328 -0.628 0.000 1.133 201 H CA -0.178 55.574 56.048 -0.493 0.000 1.216 201 H CB 1.946 31.201 29.762 -0.844 0.000 1.497 201 H HN 0.481 nan 8.280 nan 0.000 0.500 202 F N 0.372 120.331 119.950 0.014 0.000 2.613 202 F HA 0.213 4.734 4.527 -0.010 0.000 0.314 202 F C -0.236 175.652 175.800 0.146 0.000 1.075 202 F CA -0.530 57.493 58.000 0.039 0.000 0.945 202 F CB 1.111 40.055 39.000 -0.092 0.000 1.310 202 F HN 0.555 nan 8.300 nan 0.000 0.467 203 Y N 0.229 120.811 120.300 0.470 0.000 2.904 203 Y HA -0.032 4.512 4.550 -0.010 0.000 0.466 203 Y C 1.407 177.551 175.900 0.406 0.000 1.202 203 Y CA 0.699 59.003 58.100 0.340 0.000 2.492 203 Y CB -1.911 36.678 38.460 0.216 0.000 1.237 203 Y HN 1.267 nan 8.280 nan 0.000 0.633 204 G N 0.728 109.803 108.800 0.458 0.000 2.562 204 G HA2 0.066 4.020 3.960 -0.010 0.000 0.250 204 G HA3 0.066 4.020 3.960 -0.010 0.000 0.250 204 G C -0.500 174.619 174.900 0.365 0.000 1.269 204 G CA 1.129 46.426 45.100 0.329 0.000 0.919 204 G HN 1.378 nan 8.290 nan 0.000 0.574 205 R N -2.599 118.117 120.500 0.361 0.000 2.733 205 R HA 0.683 5.017 4.340 -0.010 0.000 0.272 205 R C -1.350 175.088 176.300 0.231 0.000 1.029 205 R CA -0.977 55.271 56.100 0.246 0.000 0.888 205 R CB 1.259 31.651 30.300 0.153 0.000 1.251 205 R HN 0.898 nan 8.270 nan 0.000 0.464 206 V N 1.079 121.037 119.914 0.074 0.000 2.394 206 V HA 0.331 4.445 4.120 -0.010 0.000 0.282 206 V C -0.200 175.816 176.094 -0.129 0.000 1.031 206 V CA -0.589 61.664 62.300 -0.078 0.000 0.881 206 V CB 1.347 33.026 31.823 -0.239 0.000 0.982 206 V HN 0.671 nan 8.190 nan 0.000 0.451 207 E N 3.826 123.936 120.200 -0.150 0.000 2.133 207 E HA 0.390 4.734 4.350 -0.010 0.000 0.274 207 E C -0.935 175.538 176.600 -0.211 0.000 0.930 207 E CA -0.599 55.740 56.400 -0.102 0.000 0.770 207 E CB 1.092 30.782 29.700 -0.016 0.000 1.104 207 E HN 0.700 nan 8.360 nan 0.000 0.403 208 H N 2.771 121.853 119.070 0.020 0.000 2.597 208 H HA 0.198 4.748 4.556 -0.010 0.000 0.303 208 H C 0.402 175.737 175.328 0.011 0.000 1.057 208 H CA -0.235 55.820 56.048 0.011 0.000 1.261 208 H CB 0.997 30.759 29.762 0.001 0.000 1.397 208 H HN 0.622 nan 8.280 nan 0.000 0.461 209 T N -1.353 113.258 114.554 0.094 0.000 2.512 209 T HA 0.104 4.448 4.350 -0.010 0.000 0.211 209 T C 1.613 176.341 174.700 0.047 0.000 0.767 209 T CA 0.017 62.153 62.100 0.059 0.000 1.287 209 T CB 0.766 69.656 68.868 0.036 0.000 1.656 209 T HN 0.351 nan 8.240 nan 0.000 0.479 210 S N -0.017 115.702 115.700 0.033 0.000 2.338 210 S HA -0.131 4.333 4.470 -0.010 0.000 0.218 210 S C 2.069 176.685 174.600 0.027 0.000 1.032 210 S CA 1.368 59.584 58.200 0.027 0.000 0.999 210 S CB -0.871 62.342 63.200 0.021 0.000 0.905 210 S HN 0.585 nan 8.310 nan 0.000 0.439 211 Q N 0.355 120.170 119.800 0.024 0.000 2.172 211 Q HA 0.228 4.562 4.340 -0.010 0.000 0.200 211 Q C 1.326 177.344 176.000 0.029 0.000 0.964 211 Q CA 1.042 56.859 55.803 0.023 0.000 0.855 211 Q CB 0.038 28.786 28.738 0.018 0.000 0.918 211 Q HN 0.675 nan 8.270 nan 0.000 0.444 212 G N -0.336 108.485 108.800 0.035 0.000 2.366 212 G HA2 0.234 4.188 3.960 -0.010 0.000 0.190 212 G HA3 0.234 4.188 3.960 -0.010 0.000 0.190 212 G C -1.524 173.400 174.900 0.040 0.000 1.299 212 G CA -0.421 44.709 45.100 0.051 0.000 1.056 212 G HN 0.326 nan 8.290 nan 0.000 0.468 213 A N -0.052 122.783 122.820 0.025 0.000 2.371 213 A HA 0.731 5.045 4.320 -0.010 0.000 0.257 213 A C 0.078 177.616 177.584 -0.076 0.000 1.089 213 A CA 0.384 52.370 52.037 -0.085 0.000 0.794 213 A CB 0.431 19.374 19.000 -0.095 0.000 1.029 213 A HN 0.645 nan 8.150 nan 0.000 0.488 214 K N 0.982 121.319 120.400 -0.106 0.000 2.507 214 K HA 0.201 4.515 4.320 -0.010 0.000 0.251 214 K C -1.815 174.814 176.600 0.048 0.000 0.943 214 K CA -0.338 55.937 56.287 -0.021 0.000 0.794 214 K CB 1.918 34.409 32.500 -0.014 0.000 1.188 214 K HN 0.725 nan 8.250 nan 0.000 0.428 215 W N 5.697 126.913 121.300 -0.140 0.000 2.342 215 W HA 0.357 5.011 4.660 -0.010 0.000 0.310 215 W C -0.666 175.788 176.519 -0.109 0.000 1.128 215 W CA -0.772 56.497 57.345 -0.127 0.000 1.322 215 W CB 0.243 29.619 29.460 -0.140 0.000 1.251 215 W HN 0.323 nan 8.180 nan 0.000 0.439 216 V N 2.716 122.702 119.914 0.120 0.000 3.155 216 V HA 0.611 4.725 4.120 -0.010 0.000 0.313 216 V C -0.123 175.963 176.094 -0.014 0.000 1.162 216 V CA -0.941 61.348 62.300 -0.018 0.000 1.048 216 V CB 1.985 33.819 31.823 0.019 0.000 1.092 216 V HN 0.462 nan 8.190 nan 0.000 0.447 217 D N -0.037 120.352 120.400 -0.019 0.000 2.911 217 D HA -0.145 4.489 4.640 -0.010 0.000 0.227 217 D C 0.587 176.900 176.300 0.021 0.000 1.164 217 D CA 1.548 55.559 54.000 0.018 0.000 0.782 217 D CB -1.836 38.997 40.800 0.055 0.000 1.094 217 D HN 1.317 nan 8.370 nan 0.000 0.425 218 T N -2.675 111.840 114.554 -0.066 0.000 2.868 218 T HA 0.438 4.782 4.350 -0.010 0.000 0.292 218 T C 0.453 175.193 174.700 0.067 0.000 1.028 218 T CA -0.659 61.404 62.100 -0.062 0.000 1.059 218 T CB 1.733 70.397 68.868 -0.339 0.000 0.991 218 T HN 0.053 nan 8.240 nan 0.000 0.531 219 Q N 0.758 120.657 119.800 0.166 0.000 2.257 219 Q HA 0.553 4.887 4.340 -0.010 0.000 0.255 219 Q C -0.855 175.233 176.000 0.146 0.000 0.920 219 Q CA -0.882 55.029 55.803 0.180 0.000 0.927 219 Q CB 1.877 30.784 28.738 0.283 0.000 1.229 219 Q HN 0.511 nan 8.270 nan 0.000 0.433 220 V N 3.149 123.093 119.914 0.049 0.000 2.481 220 V HA 0.360 4.474 4.120 -0.010 0.000 0.286 220 V C -0.236 175.899 176.094 0.068 0.000 1.042 220 V CA -0.593 61.665 62.300 -0.071 0.000 0.928 220 V CB 1.648 33.371 31.823 -0.166 0.000 0.986 220 V HN 0.494 nan 8.190 nan 0.000 0.462 221 V N 5.986 125.976 119.914 0.127 0.000 2.487 221 V HA 0.449 4.563 4.120 -0.010 0.000 0.298 221 V C -0.119 176.084 176.094 0.182 0.000 1.028 221 V CA -0.612 61.809 62.300 0.201 0.000 0.860 221 V CB 1.790 33.822 31.823 0.349 0.000 0.991 221 V HN 0.630 nan 8.190 nan 0.000 0.427 222 L N 3.731 125.054 121.223 0.166 0.000 2.371 222 L HA 0.670 5.004 4.340 -0.010 0.000 0.272 222 L C 0.567 177.637 176.870 0.333 0.000 1.124 222 L CA -0.214 54.725 54.840 0.165 0.000 0.816 222 L CB 1.141 43.275 42.059 0.125 0.000 1.129 222 L HN 0.759 nan 8.230 nan 0.000 0.448 223 A N 5.173 128.128 122.820 0.225 0.000 2.277 223 A HA 0.546 4.860 4.320 -0.010 0.000 0.318 223 A C -0.417 177.450 177.584 0.472 0.000 1.339 223 A CA -0.489 51.713 52.037 0.274 0.000 0.875 223 A CB 0.774 19.455 19.000 -0.532 0.000 1.158 223 A HN 0.785 nan 8.150 nan 0.000 0.514 224 M N 6.179 126.110 119.600 0.552 0.000 2.113 224 M HA 0.440 4.914 4.480 -0.010 0.000 0.352 224 M C -2.528 174.057 176.300 0.475 0.000 1.170 224 M CA -1.973 53.591 55.300 0.440 0.000 1.053 224 M CB 1.640 34.422 32.600 0.302 0.000 1.601 224 M HN 0.328 nan 8.290 nan 0.000 0.459 225 P HA 0.218 nan 4.420 nan 0.000 0.284 225 P C -1.926 175.320 177.300 -0.089 0.000 1.253 225 P CA 0.021 63.044 63.100 -0.128 0.000 0.800 225 P CB 0.464 31.907 31.700 -0.429 0.000 0.961 226 Y N 0.713 120.952 120.300 -0.102 0.000 2.331 226 Y HA 0.320 4.864 4.550 -0.010 0.000 0.334 226 Y C 0.200 176.087 175.900 -0.021 0.000 0.960 226 Y CA -0.339 57.757 58.100 -0.006 0.000 1.130 226 Y CB 1.298 39.788 38.460 0.051 0.000 1.164 226 Y HN 0.218 nan 8.280 nan 0.000 0.458 227 D N 1.985 122.491 120.400 0.177 0.000 2.193 227 D HA 0.394 5.028 4.640 -0.010 0.000 0.244 227 D C -0.576 175.965 176.300 0.402 0.000 1.064 227 D CA -0.196 53.949 54.000 0.241 0.000 0.845 227 D CB 1.704 42.656 40.800 0.254 0.000 1.148 227 D HN 0.368 nan 8.370 nan 0.000 0.464 228 T N 3.389 118.092 114.554 0.249 0.000 2.824 228 T HA 0.453 4.797 4.350 -0.010 0.000 0.282 228 T C -2.517 172.067 174.700 -0.193 0.000 0.993 228 T CA -1.493 60.656 62.100 0.081 0.000 0.967 228 T CB 1.991 70.893 68.868 0.056 0.000 0.960 228 T HN 0.164 nan 8.240 nan 0.000 0.441 229 P HA 0.281 nan 4.420 nan 0.000 0.275 229 P C -0.962 176.030 177.300 -0.513 0.000 1.227 229 P CA -0.358 62.088 63.100 -1.090 0.000 0.781 229 P CB 0.778 31.612 31.700 -1.444 0.000 0.906 230 V N 5.263 124.940 119.914 -0.395 0.000 2.305 230 V HA 0.250 4.364 4.120 -0.010 0.000 0.275 230 V C -2.091 173.887 176.094 -0.193 0.000 1.020 230 V CA -1.904 60.255 62.300 -0.234 0.000 0.811 230 V CB 1.341 33.075 31.823 -0.149 0.000 1.031 230 V HN 0.535 nan 8.190 nan 0.000 0.439 231 P HA 0.246 nan 4.420 nan 0.000 0.281 231 P C 0.419 177.678 177.300 -0.068 0.000 1.252 231 P CA 0.349 63.370 63.100 -0.132 0.000 0.778 231 P CB 1.509 33.126 31.700 -0.139 0.000 0.895 232 G N 2.460 111.237 108.800 -0.039 0.000 2.606 232 G HA2 0.096 4.050 3.960 -0.010 0.000 0.252 232 G HA3 0.096 4.050 3.960 -0.010 0.000 0.252 232 G C -1.106 173.813 174.900 0.031 0.000 1.206 232 G CA -0.566 44.539 45.100 0.009 0.000 0.861 232 G HN 0.511 nan 8.290 nan 0.000 0.561 233 Y N 1.006 121.273 120.300 -0.055 0.000 2.624 233 Y HA 0.224 4.768 4.550 -0.010 0.000 0.354 233 Y C 1.340 177.206 175.900 -0.056 0.000 1.051 233 Y CA -0.127 57.936 58.100 -0.063 0.000 1.377 233 Y CB -0.132 38.288 38.460 -0.066 0.000 1.168 233 Y HN 0.741 nan 8.280 nan 0.000 0.525 234 R N 2.898 123.129 120.500 -0.449 0.000 3.627 234 R HA -0.322 4.012 4.340 -0.010 0.000 0.281 234 R C 0.115 176.287 176.300 -0.212 0.000 1.140 234 R CA 1.337 57.186 56.100 -0.419 0.000 0.761 234 R CB -2.026 27.860 30.300 -0.688 0.000 1.181 234 R HN 0.939 nan 8.270 nan 0.000 0.472 235 N N -0.730 117.894 118.700 -0.126 0.000 2.177 235 N HA 0.045 4.779 4.740 -0.010 0.000 0.218 235 N C -0.097 175.370 175.510 -0.070 0.000 1.182 235 N CA -0.475 52.531 53.050 -0.073 0.000 0.882 235 N CB 0.482 38.951 38.487 -0.030 0.000 1.052 235 N HN 0.090 nan 8.380 nan 0.000 0.519 236 N N -0.220 118.433 118.700 -0.077 0.000 2.753 236 N HA -0.135 4.599 4.740 -0.010 0.000 0.251 236 N C -0.962 174.511 175.510 -0.061 0.000 1.097 236 N CA 0.651 53.662 53.050 -0.065 0.000 0.786 236 N CB -1.350 37.099 38.487 -0.064 0.000 1.137 236 N HN 0.200 nan 8.380 nan 0.000 0.566 237 V N 1.068 120.951 119.914 -0.052 0.000 2.465 237 V HA 0.433 4.547 4.120 -0.010 0.000 0.279 237 V C 0.655 176.730 176.094 -0.031 0.000 1.045 237 V CA -0.496 61.783 62.300 -0.035 0.000 0.938 237 V CB 2.128 33.955 31.823 0.006 0.000 0.986 237 V HN -0.035 nan 8.190 nan 0.000 0.467 238 V N 5.304 125.210 119.914 -0.013 0.000 2.419 238 V HA 0.428 4.542 4.120 -0.010 0.000 0.287 238 V C -0.085 176.035 176.094 0.044 0.000 1.017 238 V CA -0.809 61.462 62.300 -0.048 0.000 0.844 238 V CB 1.394 33.161 31.823 -0.094 0.000 1.011 238 V HN 0.850 nan 8.190 nan 0.000 0.429 239 N N 2.003 120.697 118.700 -0.009 0.000 2.431 239 N HA 0.564 5.298 4.740 -0.010 0.000 0.289 239 N C -0.052 175.489 175.510 0.051 0.000 1.277 239 N CA -0.289 52.780 53.050 0.031 0.000 0.972 239 N CB 1.005 39.453 38.487 -0.066 0.000 1.143 239 N HN 0.578 nan 8.380 nan 0.000 0.578 240 T N 0.721 115.303 114.554 0.046 0.000 2.848 240 T HA 0.361 4.705 4.350 -0.010 0.000 0.285 240 T C -0.359 174.331 174.700 -0.016 0.000 0.995 240 T CA -0.500 61.699 62.100 0.166 0.000 0.970 240 T CB 1.108 70.195 68.868 0.364 0.000 0.976 240 T HN 0.291 nan 8.240 nan 0.000 0.441 241 M N 3.866 123.420 119.600 -0.078 0.000 2.088 241 M HA 0.491 4.965 4.480 -0.010 0.000 0.346 241 M C -0.331 175.826 176.300 -0.238 0.000 1.111 241 M CA -0.704 54.455 55.300 -0.236 0.000 1.017 241 M CB 0.589 32.996 32.600 -0.322 0.000 1.568 241 M HN 0.485 nan 8.290 nan 0.000 0.445 242 R N 5.950 126.184 120.500 -0.443 0.000 2.265 242 R HA 0.613 4.947 4.340 -0.010 0.000 0.328 242 R C -1.933 174.053 176.300 -0.523 0.000 0.969 242 R CA -0.424 55.350 56.100 -0.543 0.000 0.832 242 R CB 0.840 30.602 30.300 -0.896 0.000 1.139 242 R HN 0.812 nan 8.270 nan 0.000 0.457 243 L N 5.160 126.192 121.223 -0.319 0.000 2.341 243 L HA 0.497 4.831 4.340 -0.010 0.000 0.278 243 L C -0.876 175.957 176.870 -0.062 0.000 1.005 243 L CA -0.907 53.851 54.840 -0.136 0.000 0.818 243 L CB 1.547 43.615 42.059 0.014 0.000 1.259 243 L HN 0.602 nan 8.230 nan 0.000 0.418 244 W N 1.871 123.294 121.300 0.205 0.000 2.365 244 W HA 0.482 5.136 4.660 -0.010 0.000 0.316 244 W C 0.525 177.291 176.519 0.412 0.000 1.164 244 W CA -0.257 57.236 57.345 0.246 0.000 1.204 244 W CB 1.545 30.987 29.460 -0.030 0.000 1.213 244 W HN 0.338 nan 8.180 nan 0.000 0.539 245 S N 2.036 118.164 115.700 0.713 0.000 2.473 245 S HA 0.753 5.217 4.470 -0.010 0.000 0.307 245 S C -0.398 174.547 174.600 0.574 0.000 1.094 245 S CA -0.725 57.791 58.200 0.528 0.000 1.070 245 S CB 0.585 64.025 63.200 0.400 0.000 1.019 245 S HN 0.545 nan 8.310 nan 0.000 0.480 246 A N 4.529 127.513 122.820 0.273 0.000 2.409 246 A HA 0.543 4.857 4.320 -0.010 0.000 0.262 246 A C 0.050 177.721 177.584 0.144 0.000 1.113 246 A CA -0.195 51.890 52.037 0.080 0.000 0.790 246 A CB 0.220 19.008 19.000 -0.353 0.000 1.046 246 A HN 0.773 nan 8.150 nan 0.000 0.496 247 K N 1.922 122.429 120.400 0.179 0.000 2.427 247 K HA 0.597 4.911 4.320 -0.010 0.000 0.252 247 K C -0.334 176.328 176.600 0.102 0.000 0.931 247 K CA -0.596 55.773 56.287 0.136 0.000 0.793 247 K CB 1.910 34.505 32.500 0.158 0.000 1.211 247 K HN 0.883 nan 8.250 nan 0.000 0.426 248 A N 4.756 127.618 122.820 0.069 0.000 2.462 248 A HA 0.312 4.627 4.320 -0.010 0.000 0.243 248 A C -2.162 175.454 177.584 0.054 0.000 1.076 248 A CA -0.932 51.137 52.037 0.054 0.000 0.773 248 A CB -0.371 18.650 19.000 0.035 0.000 1.010 248 A HN 0.499 nan 8.150 nan 0.000 0.493 249 P HA 0.051 nan 4.420 nan 0.000 0.270 249 P C -0.097 177.223 177.300 0.034 0.000 1.223 249 P CA -0.135 62.987 63.100 0.037 0.000 0.785 249 P CB 0.443 32.158 31.700 0.026 0.000 0.923 250 N N 0.576 119.295 118.700 0.032 0.000 2.058 250 N HA -0.134 4.600 4.740 -0.010 0.000 0.191 250 N C 0.621 176.150 175.510 0.033 0.000 1.037 250 N CA 1.549 54.618 53.050 0.032 0.000 0.848 250 N CB -0.343 38.161 38.487 0.028 0.000 1.021 250 N HN 0.596 nan 8.380 nan 0.000 0.422 259 V N 2.206 122.160 119.914 0.067 0.000 2.307 259 V HA -0.023 4.091 4.120 -0.010 0.000 0.245 259 V C 2.494 178.657 176.094 0.114 0.000 1.045 259 V CA 2.296 64.656 62.300 0.101 0.000 1.024 259 V CB -0.975 30.888 31.823 0.067 0.000 0.651 259 V HN 0.821 nan 8.190 nan 0.000 0.449 260 G N 0.557 109.397 108.800 0.067 0.000 2.476 260 G HA2 -0.196 3.758 3.960 -0.010 0.000 0.218 260 G HA3 -0.196 3.758 3.960 -0.010 0.000 0.218 260 G C 1.633 176.559 174.900 0.043 0.000 1.164 260 G CA 1.199 46.326 45.100 0.045 0.000 0.768 260 G HN 0.607 nan 8.290 nan 0.000 0.560 261 G N 0.091 108.926 108.800 0.057 0.000 2.514 261 G HA2 -0.331 3.623 3.960 -0.010 0.000 0.217 261 G HA3 -0.331 3.623 3.960 -0.010 0.000 0.217 261 G C 1.645 176.589 174.900 0.072 0.000 1.198 261 G CA 1.362 46.495 45.100 0.056 0.000 0.780 261 G HN 0.463 nan 8.290 nan 0.000 0.565 262 Y N 1.357 121.659 120.300 0.004 0.000 2.081 262 Y HA -0.190 4.355 4.550 -0.010 0.000 0.280 262 Y C 2.658 178.561 175.900 0.006 0.000 1.163 262 Y CA 1.562 59.665 58.100 0.005 0.000 1.135 262 Y CB -0.254 38.208 38.460 0.004 0.000 0.970 262 Y HN 0.130 nan 8.280 nan 0.000 0.498 263 I N 0.454 120.922 120.570 -0.169 0.000 2.163 263 I HA -0.299 3.865 4.170 -0.010 0.000 0.243 263 I C 2.407 178.402 176.117 -0.204 0.000 1.085 263 I CA 1.845 62.992 61.300 -0.255 0.000 1.347 263 I CB -1.499 36.473 38.000 -0.047 0.000 1.044 263 I HN 0.343 nan 8.210 nan 0.000 0.408 264 Q N 1.196 120.933 119.800 -0.104 0.000 2.096 264 Q HA -0.127 4.207 4.340 -0.010 0.000 0.204 264 Q C 2.238 178.183 176.000 -0.092 0.000 0.982 264 Q CA 2.282 58.041 55.803 -0.074 0.000 0.850 264 Q CB -0.398 28.319 28.738 -0.035 0.000 0.901 264 Q HN 0.474 nan 8.270 nan 0.000 0.422 265 A N -0.776 121.979 122.820 -0.108 0.000 1.940 265 A HA -0.149 4.165 4.320 -0.010 0.000 0.219 265 A C 2.253 179.759 177.584 -0.130 0.000 1.176 265 A CA 1.742 53.723 52.037 -0.094 0.000 0.631 265 A CB -0.763 18.202 19.000 -0.060 0.000 0.814 265 A HN 0.274 nan 8.150 nan 0.000 0.446 266 V N 0.082 119.852 119.914 -0.241 0.000 2.379 266 V HA -0.207 3.907 4.120 -0.010 0.000 0.245 266 V C 2.515 178.536 176.094 -0.123 0.000 1.044 266 V CA 1.733 63.904 62.300 -0.216 0.000 1.036 266 V CB -0.719 30.892 31.823 -0.354 0.000 0.664 266 V HN 0.567 nan 8.190 nan 0.000 0.453 267 L N -0.199 120.954 121.223 -0.116 0.000 2.083 267 L HA -0.165 4.169 4.340 -0.010 0.000 0.209 267 L C 2.121 178.965 176.870 -0.043 0.000 1.083 267 L CA 1.359 56.160 54.840 -0.066 0.000 0.752 267 L CB -0.737 41.288 42.059 -0.057 0.000 0.899 267 L HN 0.321 nan 8.230 nan 0.000 0.433 268 D N 0.093 120.465 120.400 -0.046 0.000 2.350 268 D HA -0.099 4.535 4.640 -0.010 0.000 0.216 268 D C 2.164 178.454 176.300 -0.017 0.000 0.968 268 D CA 0.539 54.523 54.000 -0.028 0.000 0.894 268 D CB -0.046 40.738 40.800 -0.027 0.000 0.909 268 D HN 0.228 nan 8.370 nan 0.000 0.520 269 R N 0.414 120.901 120.500 -0.021 0.000 2.200 269 R HA -0.084 4.250 4.340 -0.010 0.000 0.234 269 R C 1.576 177.877 176.300 0.003 0.000 1.127 269 R CA 0.675 56.772 56.100 -0.006 0.000 0.989 269 R CB -0.108 30.188 30.300 -0.007 0.000 0.869 269 R HN 0.157 nan 8.270 nan 0.000 0.459 270 N N 0.858 119.558 118.700 0.000 0.000 2.205 270 N HA -0.154 4.580 4.740 -0.010 0.000 0.186 270 N C 1.733 177.248 175.510 0.008 0.000 1.015 270 N CA 1.095 54.151 53.050 0.010 0.000 0.862 270 N CB -0.197 38.296 38.487 0.010 0.000 0.986 270 N HN 0.250 nan 8.380 nan 0.000 0.429 271 L N 0.476 121.700 121.223 0.001 0.000 1.994 271 L HA -0.131 4.204 4.340 -0.010 0.000 0.208 271 L C 2.459 179.319 176.870 -0.017 0.000 1.071 271 L CA 1.413 56.252 54.840 -0.003 0.000 0.745 271 L CB -0.664 41.394 42.059 -0.003 0.000 0.892 271 L HN 0.117 nan 8.230 nan 0.000 0.431 272 A N -0.032 122.780 122.820 -0.013 0.000 1.902 272 A HA -0.205 4.109 4.320 -0.010 0.000 0.217 272 A C 2.124 179.676 177.584 -0.053 0.000 1.181 272 A CA 1.646 53.666 52.037 -0.029 0.000 0.623 272 A CB -0.454 18.554 19.000 0.013 0.000 0.818 272 A HN 0.494 nan 8.150 nan 0.000 0.443 273 E N -0.082 120.107 120.200 -0.018 0.000 2.347 273 E HA -0.099 4.245 4.350 -0.010 0.000 0.196 273 E C 1.151 177.746 176.600 -0.008 0.000 1.008 273 E CA 0.388 56.782 56.400 -0.010 0.000 0.852 273 E CB -0.154 29.561 29.700 0.025 0.000 0.783 273 E HN 0.487 nan 8.360 nan 0.000 0.505 274 N N 1.041 119.739 118.700 -0.003 0.000 2.364 274 N HA -0.105 4.629 4.740 -0.010 0.000 0.183 274 N C 1.634 177.153 175.510 0.014 0.000 1.022 274 N CA 0.648 53.713 53.050 0.025 0.000 0.883 274 N CB -0.069 38.433 38.487 0.025 0.000 0.965 274 N HN 0.259 nan 8.380 nan 0.000 0.438 275 I N 0.421 120.942 120.570 -0.080 0.000 2.194 275 I HA -0.255 3.909 4.170 -0.010 0.000 0.246 275 I C 1.461 177.550 176.117 -0.046 0.000 1.093 275 I CA 1.306 62.526 61.300 -0.132 0.000 1.355 275 I CB -0.226 37.547 38.000 -0.378 0.000 1.046 275 I HN 0.144 nan 8.210 nan 0.000 0.413 276 S N -0.485 115.176 115.700 -0.065 0.000 2.583 276 S HA 0.172 4.636 4.470 -0.010 0.000 0.239 276 S C 1.481 176.218 174.600 0.227 0.000 0.966 276 S CA -0.518 57.731 58.200 0.081 0.000 0.973 276 S CB 0.246 63.473 63.200 0.046 0.000 0.794 276 S HN 0.203 nan 8.310 nan 0.000 0.463 277 R N 1.263 121.901 120.500 0.230 0.000 2.062 277 R HA 0.264 4.598 4.340 -0.010 0.000 0.229 277 R C 0.384 176.942 176.300 0.429 0.000 1.128 277 R CA 1.177 57.453 56.100 0.293 0.000 0.960 277 R CB -0.256 30.190 30.300 0.244 0.000 0.855 277 R HN 0.401 nan 8.270 nan 0.000 0.432 278 V N 0.399 120.530 119.914 0.362 0.000 2.851 278 V HA 0.335 4.449 4.120 -0.010 0.000 0.307 278 V C -1.541 174.507 176.094 -0.075 0.000 1.129 278 V CA -1.394 61.036 62.300 0.218 0.000 0.932 278 V CB 1.737 33.626 31.823 0.109 0.000 1.024 278 V HN 0.159 nan 8.190 nan 0.000 0.426 279 L N 7.016 127.944 121.223 -0.492 0.000 2.462 279 L HA 0.405 4.739 4.340 -0.010 0.000 0.272 279 L C -0.763 175.930 176.870 -0.295 0.000 1.166 279 L CA 0.541 54.877 54.840 -0.839 0.000 0.880 279 L CB 0.245 41.797 42.059 -0.845 0.000 1.142 279 L HN 0.682 nan 8.230 nan 0.000 0.473 280 Y N 7.169 127.378 120.300 -0.151 0.000 2.677 280 Y HA 0.161 4.705 4.550 -0.010 0.000 0.335 280 Y C -1.337 174.560 175.900 -0.006 0.000 1.162 280 Y CA -1.093 56.996 58.100 -0.018 0.000 1.483 280 Y CB 0.291 38.770 38.460 0.032 0.000 1.209 280 Y HN 0.579 nan 8.280 nan 0.000 0.528 281 P HA 0.019 nan 4.420 nan 0.000 0.249 281 P C -0.871 176.557 177.300 0.213 0.000 1.544 281 P CA 0.124 63.327 63.100 0.173 0.000 0.932 281 P CB 0.122 31.999 31.700 0.295 0.000 1.524 282 N N 1.264 120.101 118.700 0.228 0.000 2.455 282 N HA 0.123 4.857 4.740 -0.010 0.000 0.280 282 N C -0.424 175.240 175.510 0.256 0.000 1.055 282 N CA 0.143 53.352 53.050 0.264 0.000 0.961 282 N CB 1.311 40.007 38.487 0.348 0.000 1.121 282 N HN 0.108 nan 8.380 nan 0.000 0.476 283 D N 1.428 122.020 120.400 0.320 0.000 2.280 283 D HA 0.155 4.789 4.640 -0.010 0.000 0.236 283 D C -0.360 176.279 176.300 0.564 0.000 1.082 283 D CA -0.258 53.978 54.000 0.394 0.000 0.834 283 D CB 0.307 41.363 40.800 0.427 0.000 1.100 283 D HN 0.486 nan 8.370 nan 0.000 0.486 284 N N 2.382 121.298 118.700 0.360 0.000 2.740 284 N HA -0.264 4.470 4.740 -0.010 0.000 0.248 284 N C -1.269 174.481 175.510 0.401 0.000 1.062 284 N CA 0.576 53.799 53.050 0.288 0.000 0.704 284 N CB -1.018 37.535 38.487 0.111 0.000 0.968 284 N HN 0.354 nan 8.380 nan 0.000 0.547 285 F N 0.483 120.543 119.950 0.184 0.000 2.605 285 F HA 0.420 4.941 4.527 -0.010 0.000 0.320 285 F C -1.181 174.691 175.800 0.120 0.000 1.159 285 F CA -1.174 56.904 58.000 0.129 0.000 0.999 285 F CB 0.960 40.003 39.000 0.072 0.000 1.258 285 F HN -0.038 nan 8.300 nan 0.000 0.464 286 F N 6.558 126.086 119.950 -0.703 0.000 2.411 286 F HA 0.399 4.920 4.527 -0.010 0.000 0.355 286 F C -0.445 174.824 175.800 -0.884 0.000 1.117 286 F CA -0.128 57.489 58.000 -0.638 0.000 1.139 286 F CB 0.650 39.341 39.000 -0.514 0.000 1.120 286 F HN 0.574 nan 8.300 nan 0.000 0.493 287 E N 4.565 124.101 120.200 -1.105 0.000 2.145 287 E HA 0.294 4.638 4.350 -0.010 0.000 0.262 287 E C 0.047 175.946 176.600 -1.169 0.000 0.883 287 E CA -0.737 55.112 56.400 -0.919 0.000 0.748 287 E CB 1.293 30.847 29.700 -0.243 0.000 1.140 287 E HN 0.937 nan 8.360 nan 0.000 0.417 288 G N 5.406 113.424 108.800 -1.303 0.000 3.455 288 G HA2 -0.006 3.948 3.960 -0.010 0.000 0.250 288 G HA3 -0.006 3.948 3.960 -0.010 0.000 0.250 288 G C 0.143 174.999 174.900 -0.073 0.000 1.071 288 G CA -0.203 44.333 45.100 -0.940 0.000 1.812 288 G HN 0.263 nan 8.290 nan 0.000 0.643 289 K N 0.496 120.871 120.400 -0.042 0.000 2.249 289 K HA 0.096 4.410 4.320 -0.010 0.000 0.280 289 K C 1.009 177.731 176.600 0.204 0.000 1.033 289 K CA -0.386 55.958 56.287 0.095 0.000 0.946 289 K CB 1.931 34.471 32.500 0.067 0.000 1.005 289 K HN 0.425 nan 8.250 nan 0.000 0.469 290 E N 2.040 122.336 120.200 0.160 0.000 2.118 290 E HA -0.220 4.124 4.350 -0.010 0.000 0.195 290 E C 1.582 178.200 176.600 0.029 0.000 0.992 290 E CA 0.991 57.437 56.400 0.078 0.000 0.804 290 E CB 0.160 29.912 29.700 0.087 0.000 0.741 290 E HN 0.429 nan 8.360 nan 0.000 0.458 291 L N 1.250 122.533 121.223 0.101 0.000 2.083 291 L HA -0.165 4.169 4.340 -0.010 0.000 0.209 291 L C 2.467 179.429 176.870 0.153 0.000 1.083 291 L CA 1.766 56.686 54.840 0.133 0.000 0.752 291 L CB -0.505 41.705 42.059 0.251 0.000 0.899 291 L HN 0.007 nan 8.230 nan 0.000 0.433 292 R N -0.465 120.071 120.500 0.059 0.000 2.081 292 R HA -0.178 4.156 4.340 -0.010 0.000 0.235 292 R C 2.126 178.472 176.300 0.076 0.000 1.131 292 R CA 2.000 58.079 56.100 -0.034 0.000 0.960 292 R CB -1.128 28.936 30.300 -0.392 0.000 0.856 292 R HN 0.413 nan 8.270 nan 0.000 0.436 293 L N 0.934 122.104 121.223 -0.087 0.000 2.046 293 L HA -0.109 4.225 4.340 -0.010 0.000 0.208 293 L C 1.744 178.557 176.870 -0.095 0.000 1.077 293 L CA 1.936 56.524 54.840 -0.420 0.000 0.747 293 L CB -0.419 41.086 42.059 -0.925 0.000 0.896 293 L HN 0.179 nan 8.230 nan 0.000 0.432 294 K N -1.030 119.357 120.400 -0.021 0.000 2.057 294 K HA -0.201 4.114 4.320 -0.010 0.000 0.207 294 K C 2.092 178.865 176.600 0.288 0.000 1.049 294 K CA 1.783 58.126 56.287 0.093 0.000 0.931 294 K CB -0.227 32.114 32.500 -0.266 0.000 0.714 294 K HN 0.502 nan 8.250 nan 0.000 0.440 295 Q N 0.754 120.688 119.800 0.224 0.000 2.061 295 Q HA -0.207 4.128 4.340 -0.010 0.000 0.204 295 Q C 2.015 178.232 176.000 0.362 0.000 0.984 295 Q CA 1.573 57.571 55.803 0.325 0.000 0.846 295 Q CB -0.055 28.896 28.738 0.356 0.000 0.902 295 Q HN 0.389 nan 8.270 nan 0.000 0.421 296 E N -0.230 120.136 120.200 0.277 0.000 2.051 296 E HA -0.216 4.128 4.350 -0.010 0.000 0.192 296 E C 1.771 178.500 176.600 0.215 0.000 0.991 296 E CA 1.082 57.628 56.400 0.243 0.000 0.799 296 E CB -0.174 29.649 29.700 0.205 0.000 0.748 296 E HN 0.329 nan 8.360 nan 0.000 0.449 297 Y N 0.414 120.771 120.300 0.095 0.000 2.242 297 Y HA -0.218 4.326 4.550 -0.010 0.000 0.291 297 Y C 1.958 177.905 175.900 0.078 0.000 1.137 297 Y CA 1.003 59.116 58.100 0.022 0.000 1.181 297 Y CB -0.313 38.123 38.460 -0.040 0.000 0.989 297 Y HN 0.016 nan 8.280 nan 0.000 0.527 298 F N -0.133 119.841 119.950 0.040 0.000 2.065 298 F HA -0.276 4.245 4.527 -0.010 0.000 0.298 298 F C 2.188 177.861 175.800 -0.211 0.000 1.112 298 F CA 2.201 60.175 58.000 -0.043 0.000 1.212 298 F CB -0.930 38.181 39.000 0.184 0.000 0.975 298 F HN -0.124 nan 8.300 nan 0.000 0.476 299 V N -0.417 119.461 119.914 -0.060 0.000 2.295 299 V HA -0.304 3.810 4.120 -0.010 0.000 0.246 299 V C 2.445 178.410 176.094 -0.215 0.000 1.049 299 V CA 1.667 63.923 62.300 -0.074 0.000 1.024 299 V CB -1.006 30.956 31.823 0.232 0.000 0.648 299 V HN 0.303 nan 8.190 nan 0.000 0.447 300 V N 0.184 119.979 119.914 -0.198 0.000 2.261 300 V HA -0.274 3.840 4.120 -0.010 0.000 0.246 300 V C 2.714 178.562 176.094 -0.409 0.000 1.047 300 V CA 2.242 64.406 62.300 -0.228 0.000 1.015 300 V CB -1.072 30.674 31.823 -0.128 0.000 0.642 300 V HN 0.564 nan 8.190 nan 0.000 0.446 301 A N -0.263 122.137 122.820 -0.701 0.000 1.877 301 A HA -0.106 4.208 4.320 -0.010 0.000 0.216 301 A C 2.407 179.631 177.584 -0.600 0.000 1.186 301 A CA 2.179 53.799 52.037 -0.695 0.000 0.620 301 A CB -0.884 17.490 19.000 -1.044 0.000 0.822 301 A HN 0.578 nan 8.150 nan 0.000 0.443 302 A N -1.064 121.239 122.820 -0.862 0.000 1.877 302 A HA -0.074 4.240 4.320 -0.010 0.000 0.216 302 A C 2.316 179.436 177.584 -0.773 0.000 1.186 302 A CA 2.317 53.658 52.037 -1.159 0.000 0.620 302 A CB -1.341 16.293 19.000 -2.276 0.000 0.822 302 A HN 0.431 nan 8.150 nan 0.000 0.443 303 T N 0.296 114.542 114.554 -0.514 0.000 2.684 303 T HA -0.136 4.208 4.350 -0.010 0.000 0.267 303 T C 1.714 176.161 174.700 -0.421 0.000 1.036 303 T CA 1.685 63.597 62.100 -0.313 0.000 1.148 303 T CB -0.345 68.332 68.868 -0.317 0.000 0.863 303 T HN 0.212 nan 8.240 nan 0.000 0.436 304 L N 1.056 122.072 121.223 -0.345 0.000 2.201 304 L HA -0.020 4.314 4.340 -0.010 0.000 0.212 304 L C 2.612 179.368 176.870 -0.190 0.000 1.105 304 L CA 1.461 56.142 54.840 -0.265 0.000 0.775 304 L CB -0.808 41.136 42.059 -0.192 0.000 0.913 304 L HN 0.301 nan 8.230 nan 0.000 0.440 305 Q N -0.769 118.918 119.800 -0.189 0.000 2.050 305 Q HA -0.239 4.095 4.340 -0.010 0.000 0.202 305 Q C 1.823 177.793 176.000 -0.051 0.000 0.980 305 Q CA 1.671 57.410 55.803 -0.106 0.000 0.840 305 Q CB -0.144 28.515 28.738 -0.131 0.000 0.898 305 Q HN 0.436 nan 8.270 nan 0.000 0.424 306 D N 0.502 120.875 120.400 -0.046 0.000 2.104 306 D HA -0.145 4.489 4.640 -0.010 0.000 0.194 306 D C 1.778 178.026 176.300 -0.086 0.000 0.994 306 D CA 0.995 55.004 54.000 0.016 0.000 0.830 306 D CB -0.163 40.739 40.800 0.170 0.000 0.959 306 D HN 0.195 nan 8.370 nan 0.000 0.452 307 I N 0.600 121.000 120.570 -0.284 0.000 2.163 307 I HA -0.257 3.907 4.170 -0.010 0.000 0.243 307 I C 2.249 178.378 176.117 0.019 0.000 1.085 307 I CA 0.602 61.676 61.300 -0.377 0.000 1.347 307 I CB -0.138 37.484 38.000 -0.629 0.000 1.044 307 I HN 0.059 nan 8.210 nan 0.000 0.408 308 I N 0.528 121.163 120.570 0.109 0.000 2.179 308 I HA -0.280 3.884 4.170 -0.010 0.000 0.242 308 I C 2.691 178.968 176.117 0.268 0.000 1.088 308 I CA 1.490 62.968 61.300 0.295 0.000 1.357 308 I CB -1.204 36.911 38.000 0.192 0.000 1.051 308 I HN 0.337 nan 8.210 nan 0.000 0.409 309 R N 1.133 121.714 120.500 0.136 0.000 2.083 309 R HA -0.167 4.167 4.340 -0.010 0.000 0.237 309 R C 2.466 178.821 176.300 0.091 0.000 1.137 309 R CA 1.452 57.611 56.100 0.097 0.000 0.951 309 R CB -0.149 30.181 30.300 0.050 0.000 0.851 309 R HN 0.255 nan 8.270 nan 0.000 0.434 310 R N -0.527 120.026 120.500 0.088 0.000 2.096 310 R HA -0.166 4.168 4.340 -0.010 0.000 0.235 310 R C 2.232 178.605 176.300 0.122 0.000 1.127 310 R CA 1.629 57.782 56.100 0.089 0.000 0.968 310 R CB -0.471 29.878 30.300 0.082 0.000 0.861 310 R HN 0.271 nan 8.270 nan 0.000 0.440 311 F N 2.086 122.054 119.950 0.030 0.000 2.134 311 F HA -0.187 4.334 4.527 -0.010 0.000 0.299 311 F C 1.824 177.614 175.800 -0.017 0.000 1.097 311 F CA 1.592 59.597 58.000 0.010 0.000 1.264 311 F CB -0.005 39.055 39.000 0.100 0.000 1.001 311 F HN -0.195 nan 8.300 nan 0.000 0.479 312 K N -0.459 119.881 120.400 -0.099 0.000 2.217 312 K HA 0.000 4.314 4.320 -0.010 0.000 0.202 312 K C 1.372 177.872 176.600 -0.167 0.000 1.051 312 K CA 1.156 57.312 56.287 -0.218 0.000 0.952 312 K CB -0.201 32.285 32.500 -0.023 0.000 0.736 312 K HN 0.096 nan 8.250 nan 0.000 0.453 313 S N 0.781 116.441 115.700 -0.066 0.000 2.677 313 S HA 0.029 4.493 4.470 -0.010 0.000 0.246 313 S C 0.750 175.368 174.600 0.030 0.000 1.005 313 S CA -0.020 58.184 58.200 0.007 0.000 1.062 313 S CB 0.204 63.439 63.200 0.059 0.000 0.778 313 S HN 0.288 nan 8.310 nan 0.000 0.461 314 S N -0.213 115.412 115.700 -0.126 0.000 2.733 314 S HA 0.452 4.917 4.470 -0.010 0.000 0.247 314 S C -0.001 174.454 174.600 -0.241 0.000 1.043 314 S CA -0.482 57.605 58.200 -0.187 0.000 1.066 314 S CB 0.658 63.752 63.200 -0.176 0.000 1.045 314 S HN 0.314 nan 8.310 nan 0.000 0.586 326 F N 2.653 122.717 119.950 0.189 0.000 2.802 326 F HA 0.219 4.740 4.527 -0.010 0.000 0.300 326 F C 1.419 177.275 175.800 0.093 0.000 1.168 326 F CA 0.368 58.448 58.000 0.133 0.000 1.433 326 F CB -0.001 38.958 39.000 -0.069 0.000 1.115 326 F HN -0.040 nan 8.300 nan 0.000 0.582 327 D N 0.303 120.842 120.400 0.231 0.000 2.144 327 D HA -0.160 4.474 4.640 -0.010 0.000 0.199 327 D C 2.226 178.620 176.300 0.155 0.000 0.984 327 D CA 1.350 55.443 54.000 0.154 0.000 0.834 327 D CB -0.165 40.701 40.800 0.110 0.000 0.955 327 D HN 0.292 nan 8.370 nan 0.000 0.465 328 A N -0.335 122.611 122.820 0.210 0.000 2.251 328 A HA 0.043 4.357 4.320 -0.010 0.000 0.209 328 A C 1.698 179.416 177.584 0.223 0.000 1.187 328 A CA -0.245 51.917 52.037 0.209 0.000 0.823 328 A CB -0.707 18.422 19.000 0.215 0.000 0.846 328 A HN 0.132 nan 8.150 nan 0.000 0.486 329 F N 1.926 121.835 119.950 -0.068 0.000 2.069 329 F HA -0.113 4.408 4.527 -0.010 0.000 0.298 329 F C -0.797 174.901 175.800 -0.170 0.000 1.113 329 F CA 2.403 60.144 58.000 -0.431 0.000 1.214 329 F CB -0.529 38.192 39.000 -0.464 0.000 0.978 329 F HN 0.197 nan 8.300 nan 0.000 0.474 330 P HA -0.071 nan 4.420 nan 0.000 0.226 330 P C 0.665 177.930 177.300 -0.059 0.000 1.153 330 P CA 1.287 64.367 63.100 -0.033 0.000 0.777 330 P CB -0.071 31.628 31.700 -0.003 0.000 0.794 331 D N -0.545 119.840 120.400 -0.024 0.000 2.277 331 D HA -0.048 4.586 4.640 -0.010 0.000 0.208 331 D C 1.481 177.770 176.300 -0.018 0.000 0.962 331 D CA 0.998 54.994 54.000 -0.007 0.000 0.865 331 D CB 0.030 40.847 40.800 0.027 0.000 0.939 331 D HN 0.156 nan 8.370 nan 0.000 0.510 332 K N -0.067 120.303 120.400 -0.050 0.000 2.402 332 K HA 0.222 4.536 4.320 -0.010 0.000 0.203 332 K C -0.169 176.355 176.600 -0.127 0.000 1.077 332 K CA 0.045 56.311 56.287 -0.036 0.000 1.051 332 K CB 2.409 34.976 32.500 0.112 0.000 0.907 332 K HN -0.058 nan 8.250 nan 0.000 0.554 333 V N 1.128 120.883 119.914 -0.265 0.000 2.623 333 V HA 0.599 4.713 4.120 -0.010 0.000 0.304 333 V C -1.037 174.982 176.094 -0.126 0.000 1.054 333 V CA -1.256 60.883 62.300 -0.268 0.000 0.882 333 V CB 1.798 33.132 31.823 -0.816 0.000 1.002 333 V HN 0.121 nan 8.190 nan 0.000 0.424 334 A N 5.771 128.573 122.820 -0.029 0.000 2.343 334 A HA 0.910 5.224 4.320 -0.010 0.000 0.316 334 A C -0.894 176.733 177.584 0.072 0.000 1.104 334 A CA -0.479 51.565 52.037 0.011 0.000 0.768 334 A CB 0.907 19.844 19.000 -0.105 0.000 1.213 334 A HN 0.779 nan 8.150 nan 0.000 0.456 335 I N 2.025 122.670 120.570 0.125 0.000 2.354 335 I HA 0.273 4.437 4.170 -0.010 0.000 0.286 335 I C -0.233 175.977 176.117 0.156 0.000 1.007 335 I CA -0.487 60.894 61.300 0.133 0.000 1.167 335 I CB 1.777 39.830 38.000 0.088 0.000 1.320 335 I HN 0.688 nan 8.210 nan 0.000 0.458 336 Q N 6.842 126.734 119.800 0.152 0.000 2.314 336 Q HA 0.499 4.833 4.340 -0.010 0.000 0.259 336 Q C -1.272 174.720 176.000 -0.012 0.000 0.951 336 Q CA -0.263 55.651 55.803 0.186 0.000 0.909 336 Q CB 1.309 30.282 28.738 0.391 0.000 1.236 336 Q HN 0.565 nan 8.270 nan 0.000 0.444 337 L N 3.771 125.029 121.223 0.058 0.000 2.261 337 L HA 0.394 4.728 4.340 -0.010 0.000 0.289 337 L C 0.072 176.965 176.870 0.038 0.000 1.059 337 L CA -0.753 54.112 54.840 0.042 0.000 0.816 337 L CB 0.633 42.765 42.059 0.122 0.000 1.191 337 L HN 0.555 nan 8.230 nan 0.000 0.431 338 N N 4.673 123.311 118.700 -0.103 0.000 2.466 338 N HA 0.017 4.751 4.740 -0.010 0.000 0.263 338 N C 0.033 175.545 175.510 0.003 0.000 1.178 338 N CA 0.562 53.608 53.050 -0.007 0.000 0.983 338 N CB -0.154 38.250 38.487 -0.138 0.000 1.331 338 N HN 0.651 nan 8.380 nan 0.000 0.500 339 D N -0.302 120.222 120.400 0.206 0.000 4.136 339 D HA -0.245 4.389 4.640 -0.010 0.000 0.291 339 D C 0.261 176.626 176.300 0.109 0.000 2.238 339 D CA 1.697 55.788 54.000 0.152 0.000 1.141 339 D CB -0.355 40.287 40.800 -0.264 0.000 1.027 339 D HN 0.534 nan 8.370 nan 0.000 1.223 340 T N -2.530 112.031 114.554 0.012 0.000 3.129 340 T HA 0.065 4.409 4.350 -0.010 0.000 0.251 340 T C 1.550 176.320 174.700 0.118 0.000 1.117 340 T CA 1.396 63.491 62.100 -0.008 0.000 1.034 340 T CB -0.478 68.359 68.868 -0.052 0.000 0.968 340 T HN 0.473 nan 8.240 nan 0.000 0.526 341 H N 2.579 121.737 119.070 0.147 0.000 2.352 341 H HA 0.005 4.555 4.556 -0.010 0.000 0.299 341 H C -0.797 174.628 175.328 0.160 0.000 1.097 341 H CA 0.935 57.088 56.048 0.176 0.000 1.311 341 H CB -0.937 28.931 29.762 0.177 0.000 1.377 341 H HN 0.434 nan 8.280 nan 0.000 0.504 342 P HA 0.072 nan 4.420 nan 0.000 0.259 342 P C 0.774 178.123 177.300 0.082 0.000 1.530 342 P CA 0.385 63.570 63.100 0.143 0.000 1.022 342 P CB 0.291 32.064 31.700 0.122 0.000 1.514 343 S N -0.118 115.622 115.700 0.066 0.000 2.419 343 S HA -0.153 4.311 4.470 -0.010 0.000 0.235 343 S C 1.811 176.419 174.600 0.012 0.000 1.019 343 S CA 0.806 59.004 58.200 -0.003 0.000 0.982 343 S CB -1.553 61.615 63.200 -0.053 0.000 0.789 343 S HN 0.151 nan 8.310 nan 0.000 0.490 344 L N 1.056 122.304 121.223 0.042 0.000 2.447 344 L HA -0.061 4.273 4.340 -0.010 0.000 0.225 344 L C 2.969 179.884 176.870 0.075 0.000 1.148 344 L CA 0.706 55.576 54.840 0.050 0.000 0.808 344 L CB -0.812 41.280 42.059 0.055 0.000 0.928 344 L HN 0.491 nan 8.230 nan 0.000 0.448 345 A N 0.531 123.374 122.820 0.038 0.000 1.948 345 A HA -0.219 4.095 4.320 -0.010 0.000 0.220 345 A C 2.162 179.750 177.584 0.007 0.000 1.177 345 A CA 1.616 53.660 52.037 0.011 0.000 0.636 345 A CB -0.498 18.499 19.000 -0.005 0.000 0.815 345 A HN 0.383 nan 8.150 nan 0.000 0.449 346 I N 0.274 120.851 120.570 0.011 0.000 2.090 346 I HA -0.149 4.015 4.170 -0.010 0.000 0.236 346 I C -0.315 175.828 176.117 0.042 0.000 1.064 346 I CA 1.615 62.922 61.300 0.012 0.000 1.324 346 I CB -1.063 36.950 38.000 0.022 0.000 1.044 346 I HN 0.240 nan 8.210 nan 0.000 0.399 347 P HA -0.183 nan 4.420 nan 0.000 0.220 347 P C 1.284 178.598 177.300 0.023 0.000 1.148 347 P CA 1.544 64.677 63.100 0.055 0.000 0.803 347 P CB 0.018 31.779 31.700 0.102 0.000 0.782 348 E N 0.251 120.547 120.200 0.160 0.000 2.072 348 E HA -0.161 4.183 4.350 -0.010 0.000 0.191 348 E C 1.946 178.528 176.600 -0.030 0.000 0.985 348 E CA 0.742 57.249 56.400 0.178 0.000 0.801 348 E CB -1.220 28.637 29.700 0.263 0.000 0.750 348 E HN 0.011 nan 8.360 nan 0.000 0.452 349 L N -0.059 121.115 121.223 -0.082 0.000 2.017 349 L HA -0.114 4.220 4.340 -0.010 0.000 0.208 349 L C 2.140 178.851 176.870 -0.266 0.000 1.073 349 L CA 1.791 56.517 54.840 -0.190 0.000 0.745 349 L CB -0.577 41.370 42.059 -0.186 0.000 0.894 349 L HN 0.238 nan 8.230 nan 0.000 0.432 350 M N -0.751 118.709 119.600 -0.234 0.000 2.108 350 M HA -0.237 4.237 4.480 -0.010 0.000 0.261 350 M C 2.445 178.553 176.300 -0.319 0.000 1.066 350 M CA 1.611 56.712 55.300 -0.332 0.000 1.107 350 M CB -1.243 31.139 32.600 -0.365 0.000 1.356 350 M HN 0.348 nan 8.290 nan 0.000 0.406 351 R N -0.012 120.332 120.500 -0.260 0.000 2.073 351 R HA -0.128 4.206 4.340 -0.010 0.000 0.234 351 R C 2.076 178.260 176.300 -0.192 0.000 1.134 351 R CA 1.661 57.614 56.100 -0.244 0.000 0.952 351 R CB -0.170 29.927 30.300 -0.338 0.000 0.850 351 R HN 0.216 nan 8.270 nan 0.000 0.433 352 V N 1.489 121.289 119.914 -0.190 0.000 2.295 352 V HA -0.250 3.865 4.120 -0.010 0.000 0.246 352 V C 2.418 178.342 176.094 -0.283 0.000 1.049 352 V CA 1.707 63.892 62.300 -0.191 0.000 1.024 352 V CB -0.409 31.304 31.823 -0.184 0.000 0.648 352 V HN 0.341 nan 8.190 nan 0.000 0.447 353 L N -0.630 120.352 121.223 -0.401 0.000 2.056 353 L HA -0.128 4.206 4.340 -0.010 0.000 0.207 353 L C 2.379 179.051 176.870 -0.330 0.000 1.078 353 L CA 1.094 55.624 54.840 -0.517 0.000 0.749 353 L CB -0.599 41.089 42.059 -0.618 0.000 0.901 353 L HN 0.209 nan 8.230 nan 0.000 0.433 354 V N -0.597 119.166 119.914 -0.251 0.000 2.300 354 V HA -0.173 3.942 4.120 -0.010 0.000 0.241 354 V C 1.965 178.012 176.094 -0.078 0.000 1.034 354 V CA 1.657 63.877 62.300 -0.134 0.000 1.021 354 V CB -0.346 31.429 31.823 -0.081 0.000 0.662 354 V HN 0.343 nan 8.190 nan 0.000 0.458 355 D N -0.057 120.293 120.400 -0.084 0.000 2.149 355 D HA -0.010 4.624 4.640 -0.010 0.000 0.201 355 D C 2.009 178.281 176.300 -0.046 0.000 0.972 355 D CA 1.174 55.144 54.000 -0.050 0.000 0.835 355 D CB 0.109 40.876 40.800 -0.054 0.000 0.966 355 D HN 0.333 nan 8.370 nan 0.000 0.476 356 L N 0.154 121.335 121.223 -0.070 0.000 2.362 356 L HA 0.117 4.452 4.340 -0.010 0.000 0.204 356 L C 1.860 178.705 176.870 -0.042 0.000 1.060 356 L CA 0.430 55.242 54.840 -0.048 0.000 0.827 356 L CB 0.113 42.144 42.059 -0.047 0.000 1.027 356 L HN -0.204 nan 8.230 nan 0.000 0.474 357 E N 0.392 120.535 120.200 -0.096 0.000 2.442 357 E HA 0.040 4.384 4.350 -0.010 0.000 0.195 357 E C 0.142 176.717 176.600 -0.042 0.000 1.030 357 E CA -0.047 56.312 56.400 -0.068 0.000 0.869 357 E CB 0.335 29.890 29.700 -0.242 0.000 0.857 357 E HN 0.190 nan 8.360 nan 0.000 0.505 358 R N 0.148 120.614 120.500 -0.057 0.000 3.656 358 R HA -0.161 4.173 4.340 -0.010 0.000 0.297 358 R C -0.175 176.115 176.300 -0.018 0.000 1.166 358 R CA 0.340 56.428 56.100 -0.021 0.000 0.799 358 R CB -2.564 27.742 30.300 0.010 0.000 1.285 358 R HN 0.211 nan 8.270 nan 0.000 0.477 359 L N 1.802 122.985 121.223 -0.067 0.000 2.418 359 L HA 0.156 4.490 4.340 -0.010 0.000 0.265 359 L C 1.463 178.325 176.870 -0.013 0.000 1.143 359 L CA -0.235 54.574 54.840 -0.051 0.000 0.809 359 L CB 0.474 42.452 42.059 -0.134 0.000 1.124 359 L HN 0.141 nan 8.230 nan 0.000 0.456 360 D N 0.970 121.388 120.400 0.029 0.000 2.382 360 D HA -0.142 4.493 4.640 -0.010 0.000 0.240 360 D C 0.811 177.179 176.300 0.113 0.000 1.146 360 D CA -0.501 53.550 54.000 0.085 0.000 0.897 360 D CB 1.218 42.072 40.800 0.090 0.000 1.197 360 D HN 0.668 nan 8.370 nan 0.000 0.432 361 W N 2.066 123.366 121.300 -0.001 0.000 2.318 361 W HA -0.230 4.425 4.660 -0.010 0.000 0.313 361 W C 1.048 177.608 176.519 0.068 0.000 1.221 361 W CA 1.873 59.224 57.345 0.010 0.000 1.266 361 W CB -0.228 29.219 29.460 -0.021 0.000 1.150 361 W HN 0.471 nan 8.180 nan 0.000 0.496 362 D N 0.319 120.909 120.400 0.317 0.000 2.104 362 D HA -0.213 4.421 4.640 -0.010 0.000 0.194 362 D C 1.894 178.290 176.300 0.161 0.000 0.994 362 D CA 2.054 56.214 54.000 0.266 0.000 0.830 362 D CB -0.483 40.441 40.800 0.207 0.000 0.959 362 D HN 0.056 nan 8.370 nan 0.000 0.452 363 K N 1.208 121.661 120.400 0.088 0.000 2.026 363 K HA -0.019 4.295 4.320 -0.010 0.000 0.208 363 K C 1.858 178.439 176.600 -0.032 0.000 1.048 363 K CA 1.599 57.908 56.287 0.036 0.000 0.929 363 K CB -0.671 31.848 32.500 0.031 0.000 0.713 363 K HN 0.011 nan 8.250 nan 0.000 0.439 364 A N 0.525 123.284 122.820 -0.102 0.000 1.908 364 A HA -0.197 4.117 4.320 -0.010 0.000 0.218 364 A C 2.276 179.749 177.584 -0.185 0.000 1.181 364 A CA 1.583 53.483 52.037 -0.227 0.000 0.627 364 A CB -1.195 17.604 19.000 -0.335 0.000 0.818 364 A HN 0.711 nan 8.150 nan 0.000 0.445 365 W N 0.568 121.660 121.300 -0.346 0.000 2.388 365 W HA -0.136 4.518 4.660 -0.010 0.000 0.294 365 W C 1.990 178.445 176.519 -0.106 0.000 1.212 365 W CA 1.632 58.822 57.345 -0.258 0.000 1.271 365 W CB -0.107 29.240 29.460 -0.189 0.000 1.126 365 W HN 0.627 nan 8.180 nan 0.000 0.535 366 E N 0.258 120.432 120.200 -0.044 0.000 2.038 366 E HA -0.244 4.100 4.350 -0.010 0.000 0.195 366 E C 2.028 178.534 176.600 -0.157 0.000 1.000 366 E CA 2.205 58.548 56.400 -0.095 0.000 0.803 366 E CB -0.396 29.307 29.700 0.006 0.000 0.750 366 E HN 0.043 nan 8.360 nan 0.000 0.448 367 V N 0.827 120.663 119.914 -0.130 0.000 2.287 367 V HA -0.290 3.824 4.120 -0.010 0.000 0.248 367 V C 2.463 178.464 176.094 -0.155 0.000 1.053 367 V CA 2.285 64.520 62.300 -0.109 0.000 1.027 367 V CB -0.906 30.834 31.823 -0.139 0.000 0.646 367 V HN 0.405 nan 8.190 nan 0.000 0.447 368 T N 0.062 114.448 114.554 -0.279 0.000 2.652 368 T HA -0.187 4.157 4.350 -0.010 0.000 0.267 368 T C 1.933 176.429 174.700 -0.340 0.000 1.039 368 T CA 1.835 63.746 62.100 -0.315 0.000 1.153 368 T CB -0.324 68.310 68.868 -0.390 0.000 0.863 368 T HN 0.281 nan 8.240 nan 0.000 0.428 369 V N 1.338 120.924 119.914 -0.547 0.000 2.343 369 V HA -0.167 3.947 4.120 -0.010 0.000 0.247 369 V C 2.377 178.413 176.094 -0.096 0.000 1.051 369 V CA 1.617 63.667 62.300 -0.417 0.000 1.036 369 V CB -0.504 30.991 31.823 -0.547 0.000 0.654 369 V HN 0.457 nan 8.190 nan 0.000 0.451 370 K N -0.405 119.919 120.400 -0.126 0.000 2.283 370 K HA -0.102 4.212 4.320 -0.010 0.000 0.202 370 K C 2.124 178.684 176.600 -0.068 0.000 1.048 370 K CA 1.605 57.803 56.287 -0.149 0.000 0.948 370 K CB -0.228 32.186 32.500 -0.143 0.000 0.742 370 K HN 0.478 nan 8.250 nan 0.000 0.458 371 T N 0.163 114.738 114.554 0.034 0.000 2.937 371 T HA 0.006 4.350 4.350 -0.010 0.000 0.260 371 T C 0.915 175.719 174.700 0.174 0.000 1.051 371 T CA 0.460 62.623 62.100 0.105 0.000 1.141 371 T CB 0.084 69.058 68.868 0.177 0.000 0.879 371 T HN 0.164 nan 8.240 nan 0.000 0.459 372 C N 2.207 121.594 119.300 0.144 0.000 2.365 372 C HA 0.889 5.343 4.460 -0.010 0.000 0.351 372 C C 0.540 175.590 174.990 0.101 0.000 1.240 372 C CA -1.200 57.883 59.018 0.108 0.000 2.062 372 C CB 0.216 27.957 27.740 0.001 0.000 2.387 372 C HN 0.596 nan 8.230 nan 0.000 0.537 373 A N 2.055 124.927 122.820 0.085 0.000 2.515 373 A HA 0.758 5.072 4.320 -0.010 0.000 0.298 373 A C -1.614 176.040 177.584 0.117 0.000 1.059 373 A CA -0.427 51.605 52.037 -0.009 0.000 0.698 373 A CB 1.059 20.037 19.000 -0.038 0.000 1.289 373 A HN 0.948 nan 8.150 nan 0.000 0.404 374 Y N 1.205 121.449 120.300 -0.093 0.000 2.350 374 Y HA 0.610 5.154 4.550 -0.010 0.000 0.338 374 Y C -0.540 175.335 175.900 -0.042 0.000 0.961 374 Y CA -0.344 57.712 58.100 -0.073 0.000 1.100 374 Y CB 1.949 40.318 38.460 -0.151 0.000 1.179 374 Y HN 0.571 nan 8.280 nan 0.000 0.454 375 T N 6.514 120.927 114.554 -0.235 0.000 2.758 375 T HA 0.159 4.503 4.350 -0.010 0.000 0.285 375 T C -0.658 173.651 174.700 -0.652 0.000 0.981 375 T CA -0.748 61.129 62.100 -0.372 0.000 0.965 375 T CB 0.315 69.181 68.868 -0.004 0.000 0.927 375 T HN 0.630 nan 8.240 nan 0.000 0.448 376 N N 2.083 120.335 118.700 -0.747 0.000 2.455 376 N HA 0.112 4.846 4.740 -0.010 0.000 0.280 376 N C 0.158 175.586 175.510 -0.136 0.000 1.055 376 N CA -0.286 52.556 53.050 -0.347 0.000 0.961 376 N CB 0.708 39.113 38.487 -0.137 0.000 1.121 376 N HN 0.676 nan 8.380 nan 0.000 0.476 377 H N 1.083 120.201 119.070 0.079 0.000 2.893 377 H HA 0.124 4.674 4.556 -0.010 0.000 0.270 377 H C -0.130 175.137 175.328 -0.101 0.000 1.095 377 H CA -0.002 56.043 56.048 -0.005 0.000 1.186 377 H CB 1.220 30.984 29.762 0.003 0.000 1.562 377 H HN 0.467 nan 8.280 nan 0.000 0.536 378 T N 0.464 115.080 114.554 0.105 0.000 2.900 378 T HA 0.321 4.665 4.350 -0.010 0.000 0.303 378 T C 0.817 175.557 174.700 0.066 0.000 1.142 378 T CA -0.416 61.698 62.100 0.024 0.000 1.007 378 T CB 1.948 70.853 68.868 0.062 0.000 1.156 378 T HN 0.005 nan 8.240 nan 0.000 0.490 379 V N 3.211 123.107 119.914 -0.031 0.000 3.307 379 V HA 0.544 4.658 4.120 -0.010 0.000 0.244 379 V C 0.584 176.656 176.094 -0.037 0.000 1.196 379 V CA 0.262 62.553 62.300 -0.013 0.000 1.132 379 V CB -0.424 31.381 31.823 -0.030 0.000 0.875 379 V HN 0.724 nan 8.190 nan 0.000 0.468 380 L N 2.759 123.948 121.223 -0.056 0.000 2.455 380 L HA 0.260 4.594 4.340 -0.010 0.000 0.272 380 L C -0.853 176.031 176.870 0.023 0.000 1.174 380 L CA -1.123 53.715 54.840 -0.004 0.000 0.869 380 L CB 0.606 42.675 42.059 0.015 0.000 1.130 380 L HN 0.162 nan 8.230 nan 0.000 0.474 381 P HA -0.217 nan 4.420 nan 0.000 0.216 381 P C 0.952 178.265 177.300 0.021 0.000 1.150 381 P CA 1.265 64.374 63.100 0.014 0.000 0.837 381 P CB 0.035 31.744 31.700 0.015 0.000 0.786 382 E N 0.214 120.453 120.200 0.066 0.000 2.478 382 E HA -0.026 4.318 4.350 -0.010 0.000 0.198 382 E C 1.493 178.105 176.600 0.021 0.000 1.046 382 E CA 0.870 57.309 56.400 0.066 0.000 0.870 382 E CB -0.599 29.223 29.700 0.204 0.000 0.818 382 E HN 0.187 nan 8.360 nan 0.000 0.527 383 A N 1.088 123.945 122.820 0.060 0.000 2.195 383 A HA 0.251 4.565 4.320 -0.010 0.000 0.210 383 A C 1.218 178.820 177.584 0.030 0.000 1.165 383 A CA -0.316 51.768 52.037 0.079 0.000 0.806 383 A CB -0.029 19.037 19.000 0.108 0.000 0.847 383 A HN 0.157 nan 8.150 nan 0.000 0.482 384 L N 1.321 122.517 121.223 -0.045 0.000 2.380 384 L HA 0.178 4.512 4.340 -0.010 0.000 0.273 384 L C -0.045 176.527 176.870 -0.496 0.000 1.138 384 L CA -0.250 54.502 54.840 -0.147 0.000 0.832 384 L CB 0.772 42.771 42.059 -0.100 0.000 1.124 384 L HN 0.302 nan 8.230 nan 0.000 0.454 385 E N 4.162 123.956 120.200 -0.677 0.000 2.223 385 E HA 0.249 4.594 4.350 -0.010 0.000 0.282 385 E C -0.722 175.210 176.600 -1.112 0.000 1.046 385 E CA -0.252 55.252 56.400 -1.494 0.000 0.857 385 E CB 0.756 29.930 29.700 -0.876 0.000 1.055 385 E HN 0.412 nan 8.360 nan 0.000 0.409 386 R N 3.844 123.539 120.500 -1.342 0.000 2.472 386 R HA 0.213 4.547 4.340 -0.010 0.000 0.294 386 R C -1.245 174.838 176.300 -0.361 0.000 1.243 386 R CA -0.592 55.173 56.100 -0.558 0.000 1.023 386 R CB 0.851 30.974 30.300 -0.296 0.000 1.157 386 R HN 0.435 nan 8.270 nan 0.000 0.530 387 W N 4.223 125.458 121.300 -0.108 0.000 2.316 387 W HA 0.297 4.951 4.660 -0.010 0.000 0.311 387 W C -1.946 174.530 176.519 -0.073 0.000 1.217 387 W CA -2.248 55.095 57.345 -0.003 0.000 1.199 387 W CB 0.757 30.199 29.460 -0.031 0.000 1.202 387 W HN 0.250 nan 8.180 nan 0.000 0.528 388 P HA -0.114 nan 4.420 nan 0.000 0.264 388 P C 0.889 178.083 177.300 -0.177 0.000 1.193 388 P CA 0.213 63.232 63.100 -0.135 0.000 0.763 388 P CB 0.645 32.055 31.700 -0.484 0.000 0.810 389 V N 2.526 122.388 119.914 -0.086 0.000 2.490 389 V HA -0.281 3.833 4.120 -0.010 0.000 0.250 389 V C 2.015 178.110 176.094 0.001 0.000 1.061 389 V CA 1.924 64.212 62.300 -0.019 0.000 1.064 389 V CB -1.824 30.055 31.823 0.093 0.000 0.670 389 V HN 0.692 nan 8.190 nan 0.000 0.461 390 H N -0.091 119.039 119.070 0.100 0.000 2.387 390 H HA -0.132 4.418 4.556 -0.010 0.000 0.299 390 H C 2.215 177.595 175.328 0.086 0.000 1.090 390 H CA 1.902 58.005 56.048 0.092 0.000 1.332 390 H CB -0.287 29.529 29.762 0.090 0.000 1.386 390 H HN 0.483 nan 8.280 nan 0.000 0.516 391 L N 1.291 122.478 121.223 -0.060 0.000 2.056 391 L HA -0.063 4.271 4.340 -0.010 0.000 0.207 391 L C 2.621 179.487 176.870 -0.007 0.000 1.078 391 L CA 1.124 56.008 54.840 0.074 0.000 0.749 391 L CB -0.701 41.370 42.059 0.021 0.000 0.901 391 L HN 0.235 nan 8.230 nan 0.000 0.433 392 L N -0.764 120.415 121.223 -0.073 0.000 2.083 392 L HA -0.211 4.123 4.340 -0.010 0.000 0.209 392 L C 2.554 179.377 176.870 -0.079 0.000 1.083 392 L CA 1.522 56.285 54.840 -0.129 0.000 0.752 392 L CB -0.516 41.451 42.059 -0.153 0.000 0.899 392 L HN 0.413 nan 8.230 nan 0.000 0.433 393 E N -0.429 119.768 120.200 -0.004 0.000 2.077 393 E HA -0.200 4.144 4.350 -0.010 0.000 0.193 393 E C 1.958 178.606 176.600 0.079 0.000 0.989 393 E CA 1.787 58.211 56.400 0.039 0.000 0.800 393 E CB 0.145 29.904 29.700 0.098 0.000 0.746 393 E HN 0.415 nan 8.360 nan 0.000 0.452 394 T N 1.154 115.784 114.554 0.126 0.000 2.732 394 T HA -0.131 4.213 4.350 -0.010 0.000 0.261 394 T C 1.774 176.614 174.700 0.233 0.000 1.040 394 T CA 1.025 63.251 62.100 0.210 0.000 1.145 394 T CB -0.209 68.811 68.868 0.254 0.000 0.866 394 T HN 0.087 nan 8.240 nan 0.000 0.427 395 L N -0.021 121.240 121.223 0.064 0.000 2.095 395 L HA 0.302 4.636 4.340 -0.010 0.000 0.204 395 L C 0.491 177.318 176.870 -0.072 0.000 1.080 395 L CA 1.637 56.386 54.840 -0.153 0.000 0.759 395 L CB -0.032 41.886 42.059 -0.235 0.000 0.914 395 L HN 0.193 nan 8.230 nan 0.000 0.439 396 L N 0.563 121.703 121.223 -0.138 0.000 2.625 396 L HA 0.287 4.621 4.340 -0.010 0.000 0.255 396 L C -1.694 175.002 176.870 -0.289 0.000 1.493 396 L CA -0.963 53.702 54.840 -0.292 0.000 0.796 396 L CB 0.834 42.568 42.059 -0.542 0.000 1.064 396 L HN -0.058 nan 8.230 nan 0.000 0.516 397 P HA -0.206 nan 4.420 nan 0.000 0.216 397 P C 1.456 178.579 177.300 -0.296 0.000 1.150 397 P CA 1.168 64.163 63.100 -0.175 0.000 0.837 397 P CB 0.376 32.043 31.700 -0.056 0.000 0.786 398 R N -0.277 119.862 120.500 -0.602 0.000 2.115 398 R HA -0.125 4.209 4.340 -0.010 0.000 0.226 398 R C 2.266 178.267 176.300 -0.497 0.000 1.100 398 R CA 1.589 57.338 56.100 -0.585 0.000 0.980 398 R CB -1.638 28.144 30.300 -0.863 0.000 0.875 398 R HN 0.258 nan 8.270 nan 0.000 0.445 399 H N -0.667 118.094 119.070 -0.515 0.000 2.357 399 H HA -0.050 4.500 4.556 -0.010 0.000 0.301 399 H C 1.567 176.731 175.328 -0.274 0.000 1.082 399 H CA 1.569 57.401 56.048 -0.361 0.000 1.342 399 H CB -0.183 29.327 29.762 -0.420 0.000 1.389 399 H HN 0.100 nan 8.280 nan 0.000 0.511 400 L N 0.912 122.025 121.223 -0.183 0.000 2.046 400 L HA -0.206 4.128 4.340 -0.010 0.000 0.208 400 L C 1.936 178.652 176.870 -0.256 0.000 1.077 400 L CA 1.661 56.335 54.840 -0.278 0.000 0.747 400 L CB -0.554 41.360 42.059 -0.241 0.000 0.896 400 L HN 0.283 nan 8.230 nan 0.000 0.432 401 Q N -0.620 119.127 119.800 -0.088 0.000 2.061 401 Q HA -0.233 4.101 4.340 -0.010 0.000 0.204 401 Q C 2.312 178.338 176.000 0.045 0.000 0.984 401 Q CA 2.210 58.041 55.803 0.047 0.000 0.846 401 Q CB -0.291 28.471 28.738 0.040 0.000 0.902 401 Q HN 0.576 nan 8.270 nan 0.000 0.421 402 I N 0.363 120.940 120.570 0.012 0.000 2.252 402 I HA -0.277 3.887 4.170 -0.010 0.000 0.245 402 I C 2.203 178.397 176.117 0.129 0.000 1.102 402 I CA 0.989 62.384 61.300 0.158 0.000 1.385 402 I CB -0.183 37.850 38.000 0.057 0.000 1.064 402 I HN 0.192 nan 8.210 nan 0.000 0.414 403 I N -0.349 120.210 120.570 -0.018 0.000 2.208 403 I HA -0.337 3.827 4.170 -0.010 0.000 0.245 403 I C 2.429 178.539 176.117 -0.013 0.000 1.097 403 I CA 1.585 62.850 61.300 -0.058 0.000 1.363 403 I CB -0.411 37.483 38.000 -0.177 0.000 1.051 403 I HN 0.159 nan 8.210 nan 0.000 0.413 404 Y N 0.719 121.018 120.300 -0.002 0.000 2.181 404 Y HA -0.274 4.270 4.550 -0.010 0.000 0.288 404 Y C 2.592 178.449 175.900 -0.072 0.000 1.146 404 Y CA 1.587 59.671 58.100 -0.027 0.000 1.164 404 Y CB -0.716 37.721 38.460 -0.039 0.000 0.982 404 Y HN 0.204 nan 8.280 nan 0.000 0.515 405 E N 0.341 120.565 120.200 0.040 0.000 2.072 405 E HA -0.127 4.218 4.350 -0.010 0.000 0.191 405 E C 2.069 178.584 176.600 -0.140 0.000 0.985 405 E CA 1.143 57.423 56.400 -0.201 0.000 0.801 405 E CB -0.524 28.824 29.700 -0.587 0.000 0.750 405 E HN 0.462 nan 8.360 nan 0.000 0.452 406 I N 0.799 121.382 120.570 0.021 0.000 2.163 406 I HA -0.317 3.847 4.170 -0.010 0.000 0.243 406 I C 2.281 178.386 176.117 -0.020 0.000 1.085 406 I CA 1.475 62.714 61.300 -0.101 0.000 1.347 406 I CB -0.424 37.501 38.000 -0.125 0.000 1.044 406 I HN 0.218 nan 8.210 nan 0.000 0.408 407 N N 0.595 119.336 118.700 0.068 0.000 2.084 407 N HA -0.271 4.463 4.740 -0.010 0.000 0.190 407 N C 1.819 177.412 175.510 0.138 0.000 1.030 407 N CA 1.579 54.724 53.050 0.160 0.000 0.849 407 N CB -0.144 38.456 38.487 0.187 0.000 1.012 407 N HN 0.228 nan 8.380 nan 0.000 0.423 408 Q N 0.581 120.409 119.800 0.047 0.000 2.061 408 Q HA -0.034 4.300 4.340 -0.010 0.000 0.204 408 Q C 2.013 178.001 176.000 -0.020 0.000 0.984 408 Q CA 1.739 57.536 55.803 -0.010 0.000 0.846 408 Q CB -0.122 28.569 28.738 -0.079 0.000 0.902 408 Q HN 0.353 nan 8.270 nan 0.000 0.421 409 R N -1.127 119.343 120.500 -0.050 0.000 2.092 409 R HA -0.068 4.266 4.340 -0.010 0.000 0.231 409 R C 2.140 178.473 176.300 0.054 0.000 1.119 409 R CA 1.225 57.300 56.100 -0.043 0.000 0.970 409 R CB -0.460 29.773 30.300 -0.112 0.000 0.864 409 R HN 0.289 nan 8.270 nan 0.000 0.440 410 F N 1.372 121.303 119.950 -0.031 0.000 2.134 410 F HA -0.109 4.412 4.527 -0.010 0.000 0.299 410 F C 1.754 177.585 175.800 0.052 0.000 1.097 410 F CA 1.387 59.420 58.000 0.055 0.000 1.264 410 F CB -0.127 38.937 39.000 0.106 0.000 1.001 410 F HN -0.106 nan 8.300 nan 0.000 0.479 411 L N 0.021 121.249 121.223 0.008 0.000 2.201 411 L HA -0.204 4.130 4.340 -0.010 0.000 0.212 411 L C 2.099 178.903 176.870 -0.110 0.000 1.105 411 L CA 0.765 55.548 54.840 -0.095 0.000 0.775 411 L CB -0.815 41.258 42.059 0.024 0.000 0.913 411 L HN 0.148 nan 8.230 nan 0.000 0.440 412 N N 0.539 119.196 118.700 -0.071 0.000 2.104 412 N HA -0.164 4.570 4.740 -0.010 0.000 0.190 412 N C 1.901 177.360 175.510 -0.084 0.000 1.024 412 N CA 1.229 54.240 53.050 -0.065 0.000 0.853 412 N CB -0.177 38.281 38.487 -0.048 0.000 1.008 412 N HN 0.310 nan 8.380 nan 0.000 0.424 413 R N 0.183 120.614 120.500 -0.115 0.000 2.075 413 R HA 0.003 4.337 4.340 -0.010 0.000 0.232 413 R C 2.125 178.326 176.300 -0.165 0.000 1.126 413 R CA 0.850 56.876 56.100 -0.125 0.000 0.963 413 R CB -0.427 29.808 30.300 -0.109 0.000 0.858 413 R HN 0.044 nan 8.270 nan 0.000 0.435 414 V N 1.157 120.915 119.914 -0.259 0.000 2.295 414 V HA -0.253 3.861 4.120 -0.010 0.000 0.246 414 V C 2.475 178.567 176.094 -0.004 0.000 1.049 414 V CA 2.014 64.232 62.300 -0.137 0.000 1.024 414 V CB -0.773 30.895 31.823 -0.259 0.000 0.648 414 V HN 0.409 nan 8.190 nan 0.000 0.447 415 A N -0.034 122.755 122.820 -0.052 0.000 1.933 415 A HA -0.114 4.200 4.320 -0.010 0.000 0.218 415 A C 2.396 179.959 177.584 -0.035 0.000 1.175 415 A CA 2.121 54.145 52.037 -0.023 0.000 0.628 415 A CB -0.714 18.265 19.000 -0.036 0.000 0.814 415 A HN 0.582 nan 8.150 nan 0.000 0.444 416 A N -0.432 122.349 122.820 -0.066 0.000 1.930 416 A HA 0.259 4.573 4.320 -0.010 0.000 0.217 416 A C 2.428 179.926 177.584 -0.143 0.000 1.175 416 A CA 1.807 53.794 52.037 -0.084 0.000 0.627 416 A CB -0.775 18.180 19.000 -0.074 0.000 0.815 416 A HN 0.978 nan 8.150 nan 0.000 0.443 417 A N -1.561 121.134 122.820 -0.209 0.000 1.970 417 A HA 0.316 4.630 4.320 -0.010 0.000 0.216 417 A C 0.524 177.659 177.584 -0.749 0.000 1.170 417 A CA 0.638 52.382 52.037 -0.489 0.000 0.645 417 A CB -0.227 18.425 19.000 -0.581 0.000 0.816 417 A HN 0.437 nan 8.150 nan 0.000 0.447 418 F N -0.092 119.809 119.950 -0.081 0.000 2.584 418 F HA 0.343 4.864 4.527 -0.010 0.000 0.328 418 F C -2.785 172.977 175.800 -0.063 0.000 1.407 418 F CA -2.818 55.139 58.000 -0.072 0.000 1.145 418 F CB 0.810 39.759 39.000 -0.086 0.000 1.440 418 F HN -0.064 nan 8.300 nan 0.000 0.580 419 P HA 0.200 nan 4.420 nan 0.000 0.263 419 P C 0.995 178.313 177.300 0.030 0.000 1.195 419 P CA 0.968 64.078 63.100 0.016 0.000 0.762 419 P CB 0.873 32.564 31.700 -0.014 0.000 0.799 420 G N 2.684 111.496 108.800 0.020 0.000 2.199 420 G HA2 -0.237 3.718 3.960 -0.010 0.000 0.254 420 G HA3 -0.237 3.718 3.960 -0.010 0.000 0.254 420 G C 0.307 175.215 174.900 0.015 0.000 0.982 420 G CA -0.053 45.055 45.100 0.013 0.000 0.632 420 G HN 0.592 nan 8.290 nan 0.000 0.529 421 D N 1.213 121.631 120.400 0.030 0.000 2.551 421 D HA 0.445 5.079 4.640 -0.010 0.000 0.223 421 D C 1.731 178.021 176.300 -0.018 0.000 1.144 421 D CA 0.153 54.156 54.000 0.005 0.000 1.025 421 D CB 0.499 41.301 40.800 0.005 0.000 1.085 421 D HN 0.100 nan 8.370 nan 0.000 0.506 422 V N 2.455 122.360 119.914 -0.014 0.000 2.427 422 V HA -0.200 3.914 4.120 -0.010 0.000 0.248 422 V C 2.023 178.105 176.094 -0.020 0.000 1.051 422 V CA 1.539 63.830 62.300 -0.015 0.000 1.048 422 V CB -0.280 31.538 31.823 -0.008 0.000 0.666 422 V HN 0.428 nan 8.190 nan 0.000 0.456 423 D N 0.006 120.390 120.400 -0.026 0.000 2.144 423 D HA -0.194 4.440 4.640 -0.010 0.000 0.199 423 D C 2.345 178.618 176.300 -0.045 0.000 0.984 423 D CA 1.223 55.208 54.000 -0.025 0.000 0.834 423 D CB -0.166 40.619 40.800 -0.024 0.000 0.955 423 D HN 0.252 nan 8.370 nan 0.000 0.465 424 R N -0.127 120.321 120.500 -0.087 0.000 2.091 424 R HA -0.116 4.218 4.340 -0.010 0.000 0.238 424 R C 2.434 178.661 176.300 -0.122 0.000 1.136 424 R CA 1.033 57.044 56.100 -0.149 0.000 0.959 424 R CB -0.356 29.793 30.300 -0.253 0.000 0.856 424 R HN 0.262 nan 8.270 nan 0.000 0.437 425 L N 0.213 121.389 121.223 -0.078 0.000 2.012 425 L HA -0.228 4.107 4.340 -0.010 0.000 0.210 425 L C 2.956 179.830 176.870 0.006 0.000 1.073 425 L CA 1.726 56.541 54.840 -0.043 0.000 0.748 425 L CB -0.562 41.483 42.059 -0.023 0.000 0.891 425 L HN 0.298 nan 8.230 nan 0.000 0.431 426 R N 0.316 120.825 120.500 0.014 0.000 2.081 426 R HA -0.154 4.180 4.340 -0.010 0.000 0.235 426 R C 2.479 178.831 176.300 0.087 0.000 1.131 426 R CA 1.427 57.557 56.100 0.050 0.000 0.960 426 R CB -0.069 30.253 30.300 0.037 0.000 0.856 426 R HN 0.316 nan 8.270 nan 0.000 0.436 427 R N -0.402 120.132 120.500 0.056 0.000 2.092 427 R HA -0.055 4.279 4.340 -0.010 0.000 0.231 427 R C 2.185 178.578 176.300 0.156 0.000 1.119 427 R CA 1.593 57.755 56.100 0.103 0.000 0.970 427 R CB -0.099 30.222 30.300 0.035 0.000 0.864 427 R HN 0.314 nan 8.270 nan 0.000 0.440 428 M N 0.027 119.632 119.600 0.007 0.000 2.510 428 M HA 0.036 4.510 4.480 -0.010 0.000 0.256 428 M C 0.900 177.346 176.300 0.243 0.000 1.132 428 M CA 0.036 55.264 55.300 -0.120 0.000 1.105 428 M CB 0.400 32.756 32.600 -0.406 0.000 1.375 428 M HN -0.078 nan 8.290 nan 0.000 0.477 429 S N 0.930 116.794 115.700 0.273 0.000 2.558 429 S HA -0.004 4.460 4.470 -0.010 0.000 0.291 429 S C 0.995 175.861 174.600 0.444 0.000 1.306 429 S CA -0.373 58.019 58.200 0.320 0.000 1.056 429 S CB 0.566 63.894 63.200 0.213 0.000 0.836 429 S HN 0.218 nan 8.310 nan 0.000 0.504 430 L N 5.421 126.854 121.223 0.349 0.000 2.362 430 L HA 0.116 4.450 4.340 -0.010 0.000 0.219 430 L C 0.530 177.501 176.870 0.169 0.000 1.134 430 L CA 0.865 55.859 54.840 0.257 0.000 0.807 430 L CB -0.542 41.609 42.059 0.155 0.000 0.927 430 L HN 0.481 nan 8.230 nan 0.000 0.447 431 V N 0.300 120.328 119.914 0.191 0.000 2.383 431 V HA 0.181 4.295 4.120 -0.010 0.000 0.275 431 V C 0.207 176.382 176.094 0.135 0.000 1.036 431 V CA -0.857 61.541 62.300 0.163 0.000 0.889 431 V CB 1.102 33.055 31.823 0.217 0.000 0.985 431 V HN 0.164 nan 8.190 nan 0.000 0.459 432 E N 4.239 124.495 120.200 0.092 0.000 2.146 432 E HA 0.329 4.673 4.350 -0.010 0.000 0.282 432 E C -0.525 176.119 176.600 0.073 0.000 0.989 432 E CA -0.596 55.848 56.400 0.073 0.000 0.799 432 E CB 1.524 31.242 29.700 0.029 0.000 1.088 432 E HN 0.591 nan 8.360 nan 0.000 0.397 433 E N 1.215 121.458 120.200 0.071 0.000 2.342 433 E HA 0.566 4.911 4.350 -0.010 0.000 0.257 433 E C 0.491 177.124 176.600 0.055 0.000 1.150 433 E CA -0.341 56.097 56.400 0.063 0.000 0.926 433 E CB 1.492 31.226 29.700 0.056 0.000 1.074 433 E HN 0.754 nan 8.360 nan 0.000 0.449 434 G N -0.845 107.986 108.800 0.053 0.000 2.340 434 G HA2 0.175 4.129 3.960 -0.010 0.000 0.282 434 G HA3 0.175 4.129 3.960 -0.010 0.000 0.282 434 G C 0.345 175.276 174.900 0.053 0.000 1.312 434 G CA 0.075 45.204 45.100 0.048 0.000 0.942 434 G HN 0.438 nan 8.290 nan 0.000 0.495 435 A N -1.143 121.708 122.820 0.051 0.000 1.883 435 A HA 0.338 4.652 4.320 -0.010 0.000 0.217 435 A C 1.266 178.895 177.584 0.075 0.000 1.186 435 A CA 2.499 54.569 52.037 0.055 0.000 0.624 435 A CB -0.496 18.533 19.000 0.049 0.000 0.822 435 A HN 1.600 nan 8.150 nan 0.000 0.444 436 V N 0.596 120.560 119.914 0.083 0.000 2.357 436 V HA 0.272 4.386 4.120 -0.010 0.000 0.284 436 V C -0.004 176.146 176.094 0.092 0.000 1.018 436 V CA -0.795 61.572 62.300 0.112 0.000 0.841 436 V CB 1.215 33.114 31.823 0.127 0.000 0.991 436 V HN 0.438 nan 8.190 nan 0.000 0.437 437 K N 5.101 125.563 120.400 0.104 0.000 2.368 437 K HA 0.473 4.787 4.320 -0.010 0.000 0.282 437 K C -0.151 176.493 176.600 0.074 0.000 1.035 437 K CA -0.113 56.230 56.287 0.094 0.000 0.973 437 K CB 0.539 33.108 32.500 0.115 0.000 0.957 437 K HN 0.661 nan 8.250 nan 0.000 0.474 438 R N 3.406 123.942 120.500 0.060 0.000 2.795 438 R HA 0.448 4.782 4.340 -0.010 0.000 0.275 438 R C -0.827 175.491 176.300 0.031 0.000 0.981 438 R CA -1.065 55.056 56.100 0.036 0.000 0.917 438 R CB 1.261 31.567 30.300 0.010 0.000 1.202 438 R HN 0.435 nan 8.270 nan 0.000 0.469 439 I N 2.075 122.658 120.570 0.021 0.000 2.315 439 I HA 0.125 4.289 4.170 -0.010 0.000 0.291 439 I C 0.015 176.102 176.117 -0.050 0.000 1.006 439 I CA -0.656 60.645 61.300 0.001 0.000 1.265 439 I CB 0.912 38.907 38.000 -0.009 0.000 1.387 439 I HN 0.503 nan 8.210 nan 0.000 0.475 440 N N 7.188 125.832 118.700 -0.093 0.000 2.402 440 N HA 0.083 4.818 4.740 -0.010 0.000 0.252 440 N C 0.790 176.198 175.510 -0.170 0.000 1.118 440 N CA -0.294 52.623 53.050 -0.221 0.000 0.945 440 N CB 0.969 39.175 38.487 -0.467 0.000 1.147 440 N HN 0.377 nan 8.380 nan 0.000 0.495 441 M N 2.494 121.989 119.600 -0.175 0.000 2.319 441 M HA -0.039 4.435 4.480 -0.010 0.000 0.265 441 M C 1.936 178.087 176.300 -0.249 0.000 1.068 441 M CA 0.652 55.866 55.300 -0.142 0.000 1.118 441 M CB -1.532 31.025 32.600 -0.072 0.000 1.395 441 M HN 0.604 nan 8.290 nan 0.000 0.435 442 A N -0.242 122.431 122.820 -0.245 0.000 1.902 442 A HA -0.180 4.134 4.320 -0.010 0.000 0.217 442 A C 1.998 179.350 177.584 -0.387 0.000 1.181 442 A CA 1.529 53.374 52.037 -0.321 0.000 0.623 442 A CB -1.167 17.865 19.000 0.052 0.000 0.818 442 A HN 0.588 nan 8.150 nan 0.000 0.443 443 H N -1.449 117.408 119.070 -0.354 0.000 2.353 443 H HA -0.124 4.426 4.556 -0.010 0.000 0.300 443 H C 2.119 177.237 175.328 -0.351 0.000 1.090 443 H CA 1.189 57.015 56.048 -0.371 0.000 1.327 443 H CB -0.063 29.711 29.762 0.020 0.000 1.383 443 H HN 0.441 nan 8.280 nan 0.000 0.508 444 L N 0.684 121.831 121.223 -0.126 0.000 2.042 444 L HA -0.173 4.161 4.340 -0.010 0.000 0.210 444 L C 2.321 179.056 176.870 -0.224 0.000 1.076 444 L CA 1.458 56.216 54.840 -0.138 0.000 0.749 444 L CB -0.763 41.245 42.059 -0.085 0.000 0.893 444 L HN 0.287 nan 8.230 nan 0.000 0.432 445 C N -0.323 118.739 119.300 -0.397 0.000 2.429 445 C HA -0.132 4.322 4.460 -0.010 0.000 0.277 445 C C 2.700 177.440 174.990 -0.416 0.000 1.262 445 C CA 1.040 59.740 59.018 -0.530 0.000 1.733 445 C CB -0.939 26.078 27.740 -1.205 0.000 2.010 445 C HN 0.622 nan 8.230 nan 0.000 0.483 446 I N 1.458 121.732 120.570 -0.493 0.000 2.179 446 I HA -0.200 3.964 4.170 -0.010 0.000 0.242 446 I C 2.779 178.756 176.117 -0.232 0.000 1.088 446 I CA 1.649 62.713 61.300 -0.393 0.000 1.357 446 I CB -0.654 36.942 38.000 -0.674 0.000 1.051 446 I HN 0.265 nan 8.210 nan 0.000 0.409 447 A N 0.704 123.328 122.820 -0.327 0.000 1.908 447 A HA -0.137 4.177 4.320 -0.010 0.000 0.218 447 A C 2.217 179.849 177.584 0.080 0.000 1.181 447 A CA 2.019 53.869 52.037 -0.312 0.000 0.627 447 A CB -1.217 17.380 19.000 -0.673 0.000 0.818 447 A HN 0.496 nan 8.150 nan 0.000 0.445 448 G N -1.330 107.467 108.800 -0.004 0.000 3.284 448 G HA2 0.421 4.375 3.960 -0.010 0.000 0.236 448 G HA3 0.421 4.375 3.960 -0.010 0.000 0.236 448 G C 0.063 174.815 174.900 -0.247 0.000 1.158 448 G CA 0.502 45.504 45.100 -0.164 0.000 0.774 448 G HN 0.343 nan 8.290 nan 0.000 0.545 449 S N -0.246 115.360 115.700 -0.157 0.000 2.526 449 S HA 0.310 4.774 4.470 -0.010 0.000 0.293 449 S C 0.759 175.309 174.600 -0.083 0.000 1.092 449 S CA -0.712 57.418 58.200 -0.116 0.000 0.980 449 S CB 1.298 64.435 63.200 -0.106 0.000 1.048 449 S HN 0.499 nan 8.310 nan 0.000 0.483 450 H N 0.231 119.258 119.070 -0.070 0.000 2.535 450 H HA 0.431 4.981 4.556 -0.010 0.000 0.273 450 H C 0.215 175.523 175.328 -0.033 0.000 0.983 450 H CA 0.393 56.418 56.048 -0.038 0.000 1.238 450 H CB 0.133 29.882 29.762 -0.022 0.000 1.412 450 H HN 0.510 nan 8.280 nan 0.000 0.562 451 A N 1.027 123.515 122.820 -0.553 0.000 2.486 451 A HA 0.576 4.890 4.320 -0.010 0.000 0.300 451 A C -1.328 176.049 177.584 -0.346 0.000 1.048 451 A CA -0.594 51.193 52.037 -0.417 0.000 0.696 451 A CB 2.376 21.098 19.000 -0.463 0.000 1.278 451 A HN 0.100 nan 8.150 nan 0.000 0.405 452 V N 4.023 123.693 119.914 -0.408 0.000 2.577 452 V HA 0.510 4.624 4.120 -0.010 0.000 0.303 452 V C -0.833 175.044 176.094 -0.362 0.000 1.042 452 V CA -0.791 61.237 62.300 -0.453 0.000 0.872 452 V CB 1.784 33.147 31.823 -0.767 0.000 0.998 452 V HN 1.015 nan 8.190 nan 0.000 0.423 453 N N 3.201 121.716 118.700 -0.310 0.000 2.240 453 N HA 0.606 5.340 4.740 -0.010 0.000 0.302 453 N C -0.223 175.171 175.510 -0.192 0.000 1.106 453 N CA -0.356 52.565 53.050 -0.215 0.000 0.778 453 N CB 2.881 41.222 38.487 -0.242 0.000 1.431 453 N HN 0.630 nan 8.380 nan 0.000 0.479 454 G N -0.680 108.052 108.800 -0.113 0.000 2.535 454 G HA2 0.415 4.369 3.960 -0.010 0.000 0.303 454 G HA3 0.415 4.369 3.960 -0.010 0.000 0.303 454 G C 0.778 175.739 174.900 0.101 0.000 1.237 454 G CA -0.408 44.691 45.100 -0.002 0.000 0.986 454 G HN 0.650 nan 8.290 nan 0.000 0.494 455 V N -3.959 116.126 119.914 0.285 0.000 3.528 455 V HA 0.700 4.814 4.120 -0.010 0.000 0.294 455 V C 0.576 176.750 176.094 0.133 0.000 1.404 455 V CA 0.483 62.864 62.300 0.135 0.000 1.065 455 V CB -0.686 31.171 31.823 0.055 0.000 0.904 455 V HN 1.291 nan 8.190 nan 0.000 0.435 456 A N -0.072 122.837 122.820 0.148 0.000 2.612 456 A HA 0.691 5.005 4.320 -0.010 0.000 0.293 456 A C 0.605 178.241 177.584 0.086 0.000 1.075 456 A CA -0.152 51.951 52.037 0.111 0.000 0.680 456 A CB 1.276 20.331 19.000 0.091 0.000 1.279 456 A HN 0.042 nan 8.150 nan 0.000 0.411 457 R N 0.481 121.012 120.500 0.052 0.000 2.083 457 R HA -0.148 4.186 4.340 -0.010 0.000 0.237 457 R C 1.797 178.099 176.300 0.003 0.000 1.137 457 R CA 2.277 58.385 56.100 0.014 0.000 0.951 457 R CB -0.307 29.995 30.300 0.004 0.000 0.851 457 R HN 0.796 nan 8.270 nan 0.000 0.434 458 I N 0.101 120.681 120.570 0.017 0.000 2.264 458 I HA -0.318 3.846 4.170 -0.010 0.000 0.248 458 I C 2.222 178.353 176.117 0.024 0.000 1.111 458 I CA 1.968 63.272 61.300 0.005 0.000 1.382 458 I CB -0.166 37.835 38.000 0.002 0.000 1.060 458 I HN 0.359 nan 8.210 nan 0.000 0.418 459 H N 0.085 119.129 119.070 -0.043 0.000 2.333 459 H HA -0.075 4.475 4.556 -0.010 0.000 0.302 459 H C 2.284 177.585 175.328 -0.044 0.000 1.075 459 H CA 2.085 58.105 56.048 -0.047 0.000 1.348 459 H CB -0.226 29.514 29.762 -0.036 0.000 1.393 459 H HN 0.242 nan 8.280 nan 0.000 0.509 460 S N 0.481 116.087 115.700 -0.157 0.000 2.399 460 S HA -0.124 4.340 4.470 -0.010 0.000 0.231 460 S C 1.868 176.367 174.600 -0.168 0.000 1.022 460 S CA 1.170 59.260 58.200 -0.184 0.000 0.983 460 S CB -0.067 63.086 63.200 -0.078 0.000 0.803 460 S HN 0.471 nan 8.310 nan 0.000 0.480 461 E N 0.946 121.061 120.200 -0.141 0.000 2.072 461 E HA -0.029 4.315 4.350 -0.010 0.000 0.191 461 E C 2.010 178.492 176.600 -0.196 0.000 0.985 461 E CA 0.629 56.930 56.400 -0.165 0.000 0.801 461 E CB -0.390 29.241 29.700 -0.114 0.000 0.750 461 E HN 0.413 nan 8.360 nan 0.000 0.452 462 I N 1.034 121.504 120.570 -0.167 0.000 2.493 462 I HA -0.187 3.977 4.170 -0.010 0.000 0.254 462 I C 2.166 178.154 176.117 -0.215 0.000 1.160 462 I CA 0.627 61.828 61.300 -0.164 0.000 1.445 462 I CB -0.084 37.852 38.000 -0.108 0.000 1.086 462 I HN 0.019 nan 8.210 nan 0.000 0.433 463 L N -0.097 120.974 121.223 -0.254 0.000 2.012 463 L HA -0.257 4.077 4.340 -0.010 0.000 0.210 463 L C 2.373 179.126 176.870 -0.194 0.000 1.073 463 L CA 1.603 56.326 54.840 -0.196 0.000 0.748 463 L CB -0.723 41.315 42.059 -0.035 0.000 0.891 463 L HN 0.192 nan 8.230 nan 0.000 0.431 464 K N -0.229 119.961 120.400 -0.349 0.000 2.228 464 K HA -0.103 4.211 4.320 -0.010 0.000 0.202 464 K C 2.073 178.415 176.600 -0.430 0.000 1.051 464 K CA 0.805 56.702 56.287 -0.651 0.000 0.960 464 K CB 0.050 31.857 32.500 -1.155 0.000 0.743 464 K HN 0.258 nan 8.250 nan 0.000 0.458 465 K N 0.025 120.249 120.400 -0.294 0.000 2.098 465 K HA -0.051 4.263 4.320 -0.010 0.000 0.203 465 K C 2.084 178.612 176.600 -0.121 0.000 1.051 465 K CA 1.735 57.912 56.287 -0.184 0.000 0.957 465 K CB 0.305 32.713 32.500 -0.153 0.000 0.738 465 K HN 0.281 nan 8.250 nan 0.000 0.447 466 T N -2.078 112.398 114.554 -0.130 0.000 3.361 466 T HA 0.093 4.437 4.350 -0.010 0.000 0.241 466 T C 1.853 176.487 174.700 -0.110 0.000 0.998 466 T CA -0.235 61.805 62.100 -0.099 0.000 1.215 466 T CB -0.564 68.247 68.868 -0.095 0.000 1.196 466 T HN -0.111 nan 8.240 nan 0.000 0.376 467 I N 1.265 121.706 120.570 -0.215 0.000 2.118 467 I HA -0.008 4.156 4.170 -0.010 0.000 0.241 467 I C 1.305 177.223 176.117 -0.332 0.000 1.070 467 I CA 1.836 62.899 61.300 -0.394 0.000 1.327 467 I CB -0.428 37.144 38.000 -0.714 0.000 1.034 467 I HN 0.305 nan 8.210 nan 0.000 0.405 468 F N -0.242 119.766 119.950 0.097 0.000 2.855 468 F HA 0.265 4.786 4.527 -0.010 0.000 0.317 468 F C 1.737 177.607 175.800 0.118 0.000 1.169 468 F CA -0.445 57.693 58.000 0.230 0.000 1.299 468 F CB 0.011 39.175 39.000 0.273 0.000 0.962 468 F HN -0.145 nan 8.300 nan 0.000 0.506 469 K N 0.930 121.415 120.400 0.141 0.000 2.074 469 K HA -0.211 4.103 4.320 -0.010 0.000 0.209 469 K C 1.343 177.983 176.600 0.068 0.000 1.048 469 K CA 2.147 58.467 56.287 0.055 0.000 0.926 469 K CB 0.030 32.531 32.500 0.000 0.000 0.713 469 K HN 0.201 nan 8.250 nan 0.000 0.444 470 D N -0.213 120.210 120.400 0.038 0.000 2.144 470 D HA -0.152 4.482 4.640 -0.010 0.000 0.199 470 D C 1.783 178.005 176.300 -0.130 0.000 0.984 470 D CA 1.190 55.096 54.000 -0.158 0.000 0.834 470 D CB -0.231 40.395 40.800 -0.290 0.000 0.955 470 D HN 0.244 nan 8.370 nan 0.000 0.465 471 F N -0.118 119.911 119.950 0.132 0.000 2.206 471 F HA -0.134 4.387 4.527 -0.010 0.000 0.298 471 F C 2.340 178.297 175.800 0.261 0.000 1.090 471 F CA 0.481 58.650 58.000 0.283 0.000 1.323 471 F CB -0.614 38.646 39.000 0.434 0.000 1.028 471 F HN -0.040 nan 8.300 nan 0.000 0.492 472 Y N 1.368 121.630 120.300 -0.064 0.000 2.181 472 Y HA -0.200 4.344 4.550 -0.010 0.000 0.288 472 Y C 2.115 177.985 175.900 -0.050 0.000 1.146 472 Y CA 1.692 59.574 58.100 -0.363 0.000 1.164 472 Y CB -0.600 37.465 38.460 -0.659 0.000 0.982 472 Y HN 0.122 nan 8.280 nan 0.000 0.515 473 E N -0.345 119.784 120.200 -0.119 0.000 2.150 473 E HA -0.184 4.160 4.350 -0.010 0.000 0.193 473 E C 2.006 178.660 176.600 0.090 0.000 0.985 473 E CA 1.124 57.465 56.400 -0.097 0.000 0.814 473 E CB -0.262 29.418 29.700 -0.033 0.000 0.752 473 E HN 0.436 nan 8.360 nan 0.000 0.466 474 L N 0.978 122.301 121.223 0.167 0.000 2.044 474 L HA -0.077 4.257 4.340 -0.010 0.000 0.205 474 L C 0.223 177.177 176.870 0.140 0.000 1.075 474 L CA 1.748 56.736 54.840 0.246 0.000 0.747 474 L CB 0.342 42.536 42.059 0.225 0.000 0.903 474 L HN -0.099 nan 8.230 nan 0.000 0.435 475 E N -0.463 119.838 120.200 0.168 0.000 3.132 475 E HA 0.177 4.522 4.350 -0.010 0.000 0.241 475 E C -2.017 174.654 176.600 0.119 0.000 1.196 475 E CA -1.190 55.311 56.400 0.170 0.000 0.869 475 E CB 0.888 30.770 29.700 0.304 0.000 1.387 475 E HN 0.189 nan 8.360 nan 0.000 0.393 476 P HA -0.197 nan 4.420 nan 0.000 0.218 476 P C 0.870 178.162 177.300 -0.014 0.000 1.149 476 P CA 1.193 64.052 63.100 -0.401 0.000 0.817 476 P CB 0.186 31.405 31.700 -0.803 0.000 0.785 477 H N 0.317 119.481 119.070 0.156 0.000 2.489 477 H HA 0.029 4.579 4.556 -0.010 0.000 0.293 477 H C 1.795 177.213 175.328 0.150 0.000 1.066 477 H CA 0.874 57.007 56.048 0.142 0.000 1.305 477 H CB -0.416 29.402 29.762 0.093 0.000 1.386 477 H HN 0.290 nan 8.280 nan 0.000 0.551 478 K N 0.399 120.949 120.400 0.250 0.000 2.148 478 K HA -0.027 4.287 4.320 -0.010 0.000 0.204 478 K C 0.065 176.616 176.600 -0.082 0.000 1.050 478 K CA 0.446 56.759 56.287 0.044 0.000 0.942 478 K CB 0.057 32.508 32.500 -0.083 0.000 0.724 478 K HN 0.056 nan 8.250 nan 0.000 0.446 479 F N 1.747 121.775 119.950 0.130 0.000 2.420 479 F HA 0.168 4.689 4.527 -0.010 0.000 0.352 479 F C 0.487 176.306 175.800 0.032 0.000 1.108 479 F CA -0.205 57.853 58.000 0.096 0.000 1.162 479 F CB 1.002 40.121 39.000 0.197 0.000 1.118 479 F HN -0.098 nan 8.300 nan 0.000 0.510 480 Q N 1.886 121.727 119.800 0.068 0.000 2.544 480 Q HA 0.329 4.663 4.340 -0.010 0.000 0.291 480 Q C -1.221 174.742 176.000 -0.062 0.000 1.068 480 Q CA -1.238 54.551 55.803 -0.023 0.000 0.785 480 Q CB 3.160 31.826 28.738 -0.120 0.000 1.481 480 Q HN 0.616 nan 8.270 nan 0.000 0.430 481 N N 0.799 119.445 118.700 -0.090 0.000 2.314 481 N HA 0.264 4.998 4.740 -0.010 0.000 0.304 481 N C -1.364 174.046 175.510 -0.168 0.000 1.073 481 N CA -0.396 52.595 53.050 -0.098 0.000 0.822 481 N CB 0.963 39.416 38.487 -0.058 0.000 1.280 481 N HN 0.281 nan 8.380 nan 0.000 0.489 482 K N 2.799 123.101 120.400 -0.164 0.000 2.701 482 K HA 0.181 4.495 4.320 -0.010 0.000 0.212 482 K C -0.884 175.725 176.600 0.015 0.000 1.035 482 K CA -0.487 55.682 56.287 -0.197 0.000 1.048 482 K CB 1.164 33.324 32.500 -0.566 0.000 1.234 482 K HN 0.542 nan 8.250 nan 0.000 0.540 483 T N 2.082 116.659 114.554 0.038 0.000 2.908 483 T HA 0.027 4.371 4.350 -0.010 0.000 0.301 483 T C 0.800 175.626 174.700 0.210 0.000 1.019 483 T CA 0.440 62.614 62.100 0.123 0.000 1.152 483 T CB 0.244 69.183 68.868 0.118 0.000 0.966 483 T HN 0.365 nan 8.240 nan 0.000 0.540 484 N N 0.556 119.404 118.700 0.247 0.000 2.267 484 N HA 0.396 5.130 4.740 -0.010 0.000 0.226 484 N C 0.467 176.168 175.510 0.318 0.000 1.314 484 N CA -0.151 53.079 53.050 0.300 0.000 0.887 484 N CB 0.378 38.984 38.487 0.199 0.000 1.120 484 N HN 0.756 nan 8.380 nan 0.000 0.440 485 G N -0.630 108.365 108.800 0.327 0.000 2.682 485 G HA2 0.611 4.565 3.960 -0.010 0.000 0.290 485 G HA3 0.611 4.565 3.960 -0.010 0.000 0.290 485 G C -1.406 173.632 174.900 0.229 0.000 1.425 485 G CA -0.735 44.542 45.100 0.296 0.000 0.807 485 G HN 0.600 nan 8.290 nan 0.000 0.482 486 I N -2.281 118.411 120.570 0.202 0.000 2.828 486 I HA 0.737 4.901 4.170 -0.010 0.000 0.302 486 I C -0.204 176.077 176.117 0.273 0.000 1.101 486 I CA -0.937 60.474 61.300 0.185 0.000 1.031 486 I CB 2.462 40.454 38.000 -0.013 0.000 1.231 486 I HN 0.477 nan 8.210 nan 0.000 0.427 487 T N 4.511 119.285 114.554 0.366 0.000 2.814 487 T HA 0.351 4.695 4.350 -0.010 0.000 0.297 487 T C -1.475 173.356 174.700 0.217 0.000 0.956 487 T CA -1.529 60.712 62.100 0.235 0.000 1.123 487 T CB 0.746 69.696 68.868 0.137 0.000 0.902 487 T HN 0.639 nan 8.240 nan 0.000 0.528 488 P HA 0.091 nan 4.420 nan 0.000 0.245 488 P C 0.982 178.257 177.300 -0.042 0.000 1.212 488 P CA 0.192 63.340 63.100 0.080 0.000 0.774 488 P CB 0.382 32.119 31.700 0.062 0.000 0.999 489 R N 0.587 121.018 120.500 -0.115 0.000 2.065 489 R HA 0.036 4.370 4.340 -0.010 0.000 0.224 489 R C 2.644 178.830 176.300 -0.190 0.000 1.161 489 R CA 1.470 57.456 56.100 -0.189 0.000 0.923 489 R CB -1.401 28.791 30.300 -0.180 0.000 0.822 489 R HN -0.003 nan 8.270 nan 0.000 0.437 490 R N -0.643 119.689 120.500 -0.279 0.000 2.103 490 R HA -0.164 4.170 4.340 -0.010 0.000 0.242 490 R C 1.177 177.128 176.300 -0.582 0.000 1.142 490 R CA 1.983 57.752 56.100 -0.551 0.000 0.960 490 R CB -0.238 29.543 30.300 -0.865 0.000 0.858 490 R HN 0.329 nan 8.270 nan 0.000 0.439 491 W N -0.675 120.586 121.300 -0.064 0.000 3.353 491 W HA 0.171 4.824 4.660 -0.011 0.000 0.304 491 W C 0.979 177.473 176.519 -0.041 0.000 1.273 491 W CA -0.719 56.589 57.345 -0.062 0.000 1.773 491 W CB 0.440 29.870 29.460 -0.050 0.000 1.095 491 W HN 0.231 nan 8.180 nan 0.000 0.676 492 L N -2.355 118.927 121.223 0.097 0.000 2.511 492 L HA 0.196 4.530 4.340 -0.010 0.000 0.173 492 L C 1.697 178.583 176.870 0.028 0.000 1.160 492 L CA 0.774 55.665 54.840 0.084 0.000 0.964 492 L CB -0.805 41.334 42.059 0.133 0.000 1.892 492 L HN -0.253 nan 8.230 nan 0.000 0.497 493 V N 1.568 121.474 119.914 -0.013 0.000 2.343 493 V HA -0.243 3.871 4.120 -0.010 0.000 0.247 493 V C 2.490 178.555 176.094 -0.047 0.000 1.051 493 V CA 2.265 64.547 62.300 -0.030 0.000 1.036 493 V CB -0.638 31.131 31.823 -0.089 0.000 0.654 493 V HN 0.373 nan 8.190 nan 0.000 0.451 494 L N 0.520 121.685 121.223 -0.097 0.000 2.007 494 L HA -0.148 4.186 4.340 -0.010 0.000 0.205 494 L C 2.786 179.592 176.870 -0.106 0.000 1.073 494 L CA 2.092 56.859 54.840 -0.121 0.000 0.744 494 L CB -1.190 40.744 42.059 -0.208 0.000 0.898 494 L HN 0.623 nan 8.230 nan 0.000 0.435 495 C N -1.997 117.232 119.300 -0.119 0.000 2.495 495 C HA 0.103 4.557 4.460 -0.010 0.000 0.275 495 C C 1.315 176.287 174.990 -0.031 0.000 1.392 495 C CA -0.107 58.858 59.018 -0.088 0.000 1.766 495 C CB -0.872 26.815 27.740 -0.090 0.000 1.933 495 C HN 0.521 nan 8.230 nan 0.000 0.519 496 N N 1.022 119.716 118.700 -0.011 0.000 2.703 496 N HA 0.278 5.012 4.740 -0.010 0.000 0.283 496 N C -1.816 173.705 175.510 0.018 0.000 1.851 496 N CA -1.542 51.514 53.050 0.009 0.000 0.826 496 N CB 0.691 39.192 38.487 0.024 0.000 1.239 496 N HN 0.249 nan 8.380 nan 0.000 0.495 497 P HA -0.032 nan 4.420 nan 0.000 0.218 497 P C 1.391 178.707 177.300 0.027 0.000 1.149 497 P CA 0.859 63.970 63.100 0.019 0.000 0.817 497 P CB 0.235 31.939 31.700 0.007 0.000 0.785 498 G N 0.581 109.390 108.800 0.016 0.000 2.418 498 G HA2 -0.240 3.714 3.960 -0.010 0.000 0.217 498 G HA3 -0.240 3.714 3.960 -0.010 0.000 0.217 498 G C 1.510 176.417 174.900 0.011 0.000 1.158 498 G CA 0.583 45.689 45.100 0.010 0.000 0.771 498 G HN 0.238 nan 8.290 nan 0.000 0.545 499 L N 1.272 122.503 121.223 0.013 0.000 2.072 499 L HA 0.265 4.599 4.340 -0.010 0.000 0.205 499 L C 3.090 179.989 176.870 0.047 0.000 1.079 499 L CA 1.969 56.816 54.840 0.012 0.000 0.752 499 L CB -0.784 41.281 42.059 0.011 0.000 0.906 499 L HN 0.229 nan 8.230 nan 0.000 0.436 500 A N -0.758 122.112 122.820 0.083 0.000 1.948 500 A HA -0.281 4.033 4.320 -0.010 0.000 0.220 500 A C 2.253 179.935 177.584 0.162 0.000 1.177 500 A CA 1.962 54.101 52.037 0.169 0.000 0.636 500 A CB -0.687 18.407 19.000 0.157 0.000 0.815 500 A HN 0.544 nan 8.150 nan 0.000 0.449 501 E N 0.493 120.750 120.200 0.094 0.000 2.047 501 E HA -0.142 4.202 4.350 -0.010 0.000 0.191 501 E C 1.843 178.484 176.600 0.069 0.000 0.987 501 E CA 1.501 57.947 56.400 0.077 0.000 0.799 501 E CB -0.494 29.233 29.700 0.045 0.000 0.752 501 E HN 0.750 nan 8.360 nan 0.000 0.449 502 I N -1.765 118.841 120.570 0.060 0.000 2.493 502 I HA -0.125 4.039 4.170 -0.010 0.000 0.254 502 I C 2.088 178.286 176.117 0.135 0.000 1.160 502 I CA 1.018 62.371 61.300 0.088 0.000 1.445 502 I CB -0.323 37.711 38.000 0.056 0.000 1.086 502 I HN 0.014 nan 8.210 nan 0.000 0.433 503 I N 2.012 122.628 120.570 0.077 0.000 2.163 503 I HA -0.188 3.976 4.170 -0.010 0.000 0.240 503 I C 3.019 179.079 176.117 -0.095 0.000 1.081 503 I CA 1.367 62.617 61.300 -0.085 0.000 1.353 503 I CB -0.528 37.284 38.000 -0.314 0.000 1.054 503 I HN 0.290 nan 8.210 nan 0.000 0.407 504 A N 0.366 123.236 122.820 0.083 0.000 1.978 504 A HA -0.234 4.080 4.320 -0.010 0.000 0.220 504 A C 2.156 179.779 177.584 0.064 0.000 1.170 504 A CA 1.662 53.806 52.037 0.180 0.000 0.636 504 A CB -0.627 18.511 19.000 0.231 0.000 0.810 504 A HN 0.462 nan 8.150 nan 0.000 0.448 505 E N -0.849 119.366 120.200 0.025 0.000 2.153 505 E HA -0.192 4.152 4.350 -0.010 0.000 0.194 505 E C 2.163 178.731 176.600 -0.054 0.000 0.988 505 E CA 1.015 57.414 56.400 -0.003 0.000 0.811 505 E CB -0.016 29.686 29.700 0.004 0.000 0.746 505 E HN 0.412 nan 8.360 nan 0.000 0.466 506 R N 0.036 120.449 120.500 -0.146 0.000 2.105 506 R HA 0.093 4.427 4.340 -0.010 0.000 0.214 506 R C 2.254 178.496 176.300 -0.097 0.000 1.091 506 R CA 0.795 56.747 56.100 -0.246 0.000 1.007 506 R CB -0.314 29.520 30.300 -0.776 0.000 0.912 506 R HN 0.322 nan 8.270 nan 0.000 0.450 507 I N -3.092 117.434 120.570 -0.074 0.000 4.081 507 I HA 0.453 4.617 4.170 -0.010 0.000 0.333 507 I C 0.454 176.623 176.117 0.087 0.000 1.413 507 I CA 0.080 61.386 61.300 0.010 0.000 1.110 507 I CB 0.685 38.675 38.000 -0.016 0.000 1.082 507 I HN 0.161 nan 8.210 nan 0.000 0.402 508 G N 2.223 111.082 108.800 0.097 0.000 2.693 508 G HA2 -0.250 3.704 3.960 -0.010 0.000 0.226 508 G HA3 -0.250 3.704 3.960 -0.010 0.000 0.226 508 G C 0.015 175.044 174.900 0.215 0.000 1.354 508 G CA 0.316 45.489 45.100 0.122 0.000 0.873 508 G HN 0.497 nan 8.290 nan 0.000 0.562 509 E N -0.072 120.198 120.200 0.118 0.000 2.481 509 E HA 0.120 4.465 4.350 -0.010 0.000 0.198 509 E C 2.011 178.545 176.600 -0.111 0.000 1.027 509 E CA 0.347 56.749 56.400 0.002 0.000 0.900 509 E CB 0.287 29.989 29.700 0.003 0.000 0.993 509 E HN 0.637 nan 8.360 nan 0.000 0.482 510 E N 0.383 120.596 120.200 0.021 0.000 2.160 510 E HA -0.226 4.118 4.350 -0.010 0.000 0.195 510 E C 1.680 178.265 176.600 -0.024 0.000 0.991 510 E CA 1.226 57.633 56.400 0.012 0.000 0.810 510 E CB -0.213 29.521 29.700 0.057 0.000 0.742 510 E HN 0.499 nan 8.360 nan 0.000 0.466 511 Y N -0.323 119.985 120.300 0.012 0.000 2.384 511 Y HA -0.135 4.410 4.550 -0.009 0.000 0.289 511 Y C 1.777 177.659 175.900 -0.030 0.000 1.152 511 Y CA 0.693 58.793 58.100 -0.001 0.000 1.258 511 Y CB -0.584 37.878 38.460 0.004 0.000 0.979 511 Y HN -0.050 nan 8.280 nan 0.000 0.549 512 I N 0.908 120.990 120.570 -0.813 0.000 2.361 512 I HA -0.231 3.933 4.170 -0.010 0.000 0.251 512 I C 1.514 177.388 176.117 -0.405 0.000 1.133 512 I CA 1.793 62.665 61.300 -0.713 0.000 1.413 512 I CB -0.379 37.102 38.000 -0.866 0.000 1.073 512 I HN 0.479 nan 8.210 nan 0.000 0.424 513 S N -1.978 113.594 115.700 -0.214 0.000 2.843 513 S HA 0.228 4.692 4.470 -0.010 0.000 0.249 513 S C 0.005 174.597 174.600 -0.014 0.000 1.047 513 S CA -0.549 57.603 58.200 -0.080 0.000 1.042 513 S CB 0.320 63.532 63.200 0.020 0.000 0.936 513 S HN 0.284 nan 8.310 nan 0.000 0.531 514 D N 0.664 121.063 120.400 -0.001 0.000 3.285 514 D HA 0.208 4.842 4.640 -0.010 0.000 0.273 514 D C 0.380 176.726 176.300 0.077 0.000 1.295 514 D CA -0.344 53.678 54.000 0.036 0.000 0.762 514 D CB 0.251 41.075 40.800 0.040 0.000 1.379 514 D HN 0.141 nan 8.370 nan 0.000 0.612 515 L N 0.860 122.130 121.223 0.078 0.000 2.265 515 L HA 0.008 4.342 4.340 -0.010 0.000 0.215 515 L C 1.427 178.355 176.870 0.097 0.000 1.117 515 L CA 1.571 56.488 54.840 0.127 0.000 0.782 515 L CB -0.069 42.059 42.059 0.116 0.000 0.914 515 L HN 0.236 nan 8.230 nan 0.000 0.441 516 D N -0.697 119.736 120.400 0.054 0.000 2.265 516 D HA -0.219 4.415 4.640 -0.010 0.000 0.208 516 D C 1.864 178.190 176.300 0.042 0.000 0.977 516 D CA 0.818 54.836 54.000 0.030 0.000 0.871 516 D CB 0.049 40.853 40.800 0.006 0.000 0.925 516 D HN 0.571 nan 8.370 nan 0.000 0.485 517 Q N -0.009 119.833 119.800 0.070 0.000 2.364 517 Q HA -0.036 4.298 4.340 -0.010 0.000 0.207 517 Q C 2.285 178.310 176.000 0.042 0.000 0.970 517 Q CA 0.204 56.049 55.803 0.071 0.000 0.888 517 Q CB 0.045 28.854 28.738 0.118 0.000 0.951 517 Q HN 0.399 nan 8.270 nan 0.000 0.469 518 L N 0.161 121.404 121.223 0.034 0.000 2.261 518 L HA -0.189 4.145 4.340 -0.010 0.000 0.216 518 L C 2.219 179.092 176.870 0.005 0.000 1.114 518 L CA 0.941 55.770 54.840 -0.019 0.000 0.777 518 L CB -0.338 41.723 42.059 0.003 0.000 0.910 518 L HN 0.215 nan 8.230 nan 0.000 0.440 519 R N 0.269 120.781 120.500 0.020 0.000 2.193 519 R HA -0.158 4.176 4.340 -0.010 0.000 0.229 519 R C 2.091 178.400 176.300 0.014 0.000 1.110 519 R CA 0.910 57.022 56.100 0.021 0.000 0.988 519 R CB -0.147 30.162 30.300 0.015 0.000 0.871 519 R HN 0.393 nan 8.270 nan 0.000 0.458 520 K N 0.592 121.000 120.400 0.013 0.000 2.211 520 K HA -0.120 4.194 4.320 -0.010 0.000 0.204 520 K C 1.808 178.441 176.600 0.055 0.000 1.047 520 K CA 0.974 57.272 56.287 0.019 0.000 0.935 520 K CB -0.094 32.426 32.500 0.032 0.000 0.728 520 K HN 0.212 nan 8.250 nan 0.000 0.452 521 L N 0.790 122.041 121.223 0.046 0.000 2.376 521 L HA -0.102 4.232 4.340 -0.010 0.000 0.219 521 L C 1.945 178.886 176.870 0.118 0.000 1.133 521 L CA 0.455 55.344 54.840 0.082 0.000 0.816 521 L CB -0.351 41.704 42.059 -0.007 0.000 0.933 521 L HN 0.183 nan 8.230 nan 0.000 0.449 522 L N -0.817 120.438 121.223 0.054 0.000 2.265 522 L HA -0.175 4.159 4.340 -0.010 0.000 0.215 522 L C 2.434 179.285 176.870 -0.032 0.000 1.117 522 L CA 0.764 55.621 54.840 0.029 0.000 0.782 522 L CB -0.406 41.660 42.059 0.011 0.000 0.914 522 L HN 0.214 nan 8.230 nan 0.000 0.441 523 S N -1.282 114.342 115.700 -0.127 0.000 2.507 523 S HA -0.106 4.358 4.470 -0.010 0.000 0.235 523 S C 0.949 175.261 174.600 -0.480 0.000 0.988 523 S CA 0.812 58.811 58.200 -0.334 0.000 0.944 523 S CB -0.176 62.727 63.200 -0.496 0.000 0.762 523 S HN 0.430 nan 8.310 nan 0.000 0.526 524 Y N -0.015 120.230 120.300 -0.091 0.000 2.636 524 Y HA 0.232 4.780 4.550 -0.003 0.000 0.260 524 Y C 1.744 177.696 175.900 0.086 0.000 1.177 524 Y CA -0.596 57.467 58.100 -0.061 0.000 1.209 524 Y CB -0.251 38.020 38.460 -0.315 0.000 1.166 524 Y HN 0.162 nan 8.280 nan 0.000 0.531 525 V N -2.838 117.166 119.914 0.149 0.000 2.720 525 V HA -0.154 3.960 4.120 -0.010 0.000 0.256 525 V C 0.738 176.895 176.094 0.106 0.000 1.082 525 V CA 1.980 64.360 62.300 0.134 0.000 1.101 525 V CB -0.023 31.842 31.823 0.069 0.000 0.693 525 V HN 0.257 nan 8.190 nan 0.000 0.479 526 D N -0.470 119.981 120.400 0.084 0.000 2.469 526 D HA 0.145 4.779 4.640 -0.010 0.000 0.215 526 D C 0.242 176.593 176.300 0.085 0.000 1.154 526 D CA 0.049 54.088 54.000 0.064 0.000 0.832 526 D CB 0.267 41.082 40.800 0.026 0.000 1.008 526 D HN 0.549 nan 8.370 nan 0.000 0.506 527 D N 2.019 122.508 120.400 0.149 0.000 2.336 527 D HA -0.018 4.616 4.640 -0.010 0.000 0.249 527 D C 1.117 177.524 176.300 0.179 0.000 1.213 527 D CA -0.009 54.104 54.000 0.188 0.000 0.870 527 D CB 1.279 42.283 40.800 0.340 0.000 1.076 527 D HN -0.118 nan 8.370 nan 0.000 0.483 528 E N 3.088 123.357 120.200 0.115 0.000 2.085 528 E HA -0.203 4.141 4.350 -0.010 0.000 0.194 528 E C 1.787 178.439 176.600 0.086 0.000 0.994 528 E CA 0.995 57.444 56.400 0.082 0.000 0.801 528 E CB -0.270 29.462 29.700 0.054 0.000 0.743 528 E HN 0.654 nan 8.360 nan 0.000 0.453 529 A N 0.667 123.552 122.820 0.109 0.000 1.877 529 A HA -0.163 4.151 4.320 -0.010 0.000 0.216 529 A C 2.154 179.814 177.584 0.126 0.000 1.186 529 A CA 1.302 53.399 52.037 0.100 0.000 0.620 529 A CB -0.916 18.146 19.000 0.103 0.000 0.822 529 A HN 0.281 nan 8.150 nan 0.000 0.443 530 F N 0.203 120.158 119.950 0.008 0.000 2.146 530 F HA -0.099 4.423 4.527 -0.009 0.000 0.298 530 F C 2.035 177.832 175.800 -0.005 0.000 1.096 530 F CA 1.414 59.398 58.000 -0.026 0.000 1.275 530 F CB -0.080 38.898 39.000 -0.036 0.000 1.008 530 F HN 0.156 nan 8.300 nan 0.000 0.480 531 I N 0.198 120.791 120.570 0.039 0.000 2.163 531 I HA -0.347 3.817 4.170 -0.010 0.000 0.243 531 I C 2.670 178.732 176.117 -0.092 0.000 1.085 531 I CA 1.540 62.813 61.300 -0.044 0.000 1.347 531 I CB -0.568 37.450 38.000 0.030 0.000 1.044 531 I HN 0.110 nan 8.210 nan 0.000 0.408 532 R N 0.997 121.466 120.500 -0.051 0.000 2.083 532 R HA -0.216 4.118 4.340 -0.010 0.000 0.237 532 R C 1.788 178.030 176.300 -0.096 0.000 1.137 532 R CA 2.268 58.335 56.100 -0.054 0.000 0.951 532 R CB -0.261 30.026 30.300 -0.020 0.000 0.851 532 R HN 0.300 nan 8.270 nan 0.000 0.434 533 D N -0.030 120.291 120.400 -0.132 0.000 2.149 533 D HA -0.094 4.541 4.640 -0.010 0.000 0.201 533 D C 2.015 178.171 176.300 -0.241 0.000 0.972 533 D CA 0.951 54.856 54.000 -0.158 0.000 0.835 533 D CB -0.145 40.580 40.800 -0.124 0.000 0.966 533 D HN 0.085 nan 8.370 nan 0.000 0.476 534 V N 1.456 121.126 119.914 -0.406 0.000 2.287 534 V HA -0.255 3.860 4.120 -0.010 0.000 0.248 534 V C 2.510 178.498 176.094 -0.176 0.000 1.053 534 V CA 1.942 64.020 62.300 -0.369 0.000 1.027 534 V CB -0.772 30.758 31.823 -0.487 0.000 0.646 534 V HN 0.194 nan 8.190 nan 0.000 0.447 535 A N -0.438 122.300 122.820 -0.136 0.000 1.930 535 A HA -0.241 4.073 4.320 -0.010 0.000 0.217 535 A C 2.342 179.881 177.584 -0.076 0.000 1.175 535 A CA 2.056 54.046 52.037 -0.079 0.000 0.627 535 A CB -0.471 18.487 19.000 -0.070 0.000 0.815 535 A HN 0.536 nan 8.150 nan 0.000 0.443 536 K N -0.184 120.167 120.400 -0.081 0.000 2.026 536 K HA -0.110 4.204 4.320 -0.010 0.000 0.208 536 K C 1.818 178.385 176.600 -0.055 0.000 1.048 536 K CA 1.722 57.972 56.287 -0.062 0.000 0.929 536 K CB -0.301 32.165 32.500 -0.056 0.000 0.713 536 K HN 0.210 nan 8.250 nan 0.000 0.439 537 V N 1.693 121.568 119.914 -0.066 0.000 2.343 537 V HA -0.247 3.867 4.120 -0.010 0.000 0.247 537 V C 2.405 178.479 176.094 -0.034 0.000 1.051 537 V CA 2.073 64.344 62.300 -0.048 0.000 1.036 537 V CB -0.498 31.289 31.823 -0.059 0.000 0.654 537 V HN 0.378 nan 8.190 nan 0.000 0.451 538 K N 0.568 120.944 120.400 -0.040 0.000 2.032 538 K HA -0.247 4.067 4.320 -0.010 0.000 0.209 538 K C 2.169 178.738 176.600 -0.051 0.000 1.048 538 K CA 1.973 58.244 56.287 -0.027 0.000 0.927 538 K CB -0.543 31.953 32.500 -0.006 0.000 0.712 538 K HN 0.405 nan 8.250 nan 0.000 0.441 539 Q N 1.026 120.787 119.800 -0.064 0.000 2.084 539 Q HA -0.128 4.206 4.340 -0.010 0.000 0.202 539 Q C 1.678 177.655 176.000 -0.038 0.000 0.978 539 Q CA 2.043 57.800 55.803 -0.076 0.000 0.844 539 Q CB -0.147 28.550 28.738 -0.070 0.000 0.898 539 Q HN 0.535 nan 8.270 nan 0.000 0.426 540 E N -0.379 119.810 120.200 -0.019 0.000 2.085 540 E HA -0.182 4.163 4.350 -0.010 0.000 0.194 540 E C 1.760 178.380 176.600 0.033 0.000 0.994 540 E CA 1.164 57.568 56.400 0.007 0.000 0.801 540 E CB -0.114 29.588 29.700 0.003 0.000 0.743 540 E HN 0.433 nan 8.360 nan 0.000 0.453 541 N N 0.870 119.588 118.700 0.030 0.000 2.166 541 N HA -0.130 4.604 4.740 -0.010 0.000 0.186 541 N C 1.474 177.061 175.510 0.128 0.000 1.019 541 N CA 1.020 54.110 53.050 0.066 0.000 0.856 541 N CB -0.093 38.417 38.487 0.040 0.000 0.993 541 N HN 0.133 nan 8.380 nan 0.000 0.426 542 K N 0.591 121.031 120.400 0.066 0.000 2.057 542 K HA 0.053 4.367 4.320 -0.010 0.000 0.206 542 K C 2.077 178.804 176.600 0.213 0.000 1.050 542 K CA 0.590 56.936 56.287 0.099 0.000 0.935 542 K CB -0.130 32.169 32.500 -0.336 0.000 0.715 542 K HN 0.106 nan 8.250 nan 0.000 0.439 543 L N 1.116 122.404 121.223 0.109 0.000 2.046 543 L HA -0.208 4.126 4.340 -0.010 0.000 0.208 543 L C 2.606 179.566 176.870 0.149 0.000 1.077 543 L CA 1.336 56.245 54.840 0.116 0.000 0.747 543 L CB -0.347 41.751 42.059 0.065 0.000 0.896 543 L HN 0.184 nan 8.230 nan 0.000 0.432 544 K N -0.239 120.255 120.400 0.157 0.000 2.057 544 K HA -0.219 4.095 4.320 -0.010 0.000 0.206 544 K C 2.175 178.919 176.600 0.239 0.000 1.050 544 K CA 1.407 57.792 56.287 0.165 0.000 0.935 544 K CB -0.128 32.454 32.500 0.136 0.000 0.715 544 K HN 0.066 nan 8.250 nan 0.000 0.439 545 F N 1.207 121.252 119.950 0.157 0.000 2.146 545 F HA -0.059 4.462 4.527 -0.010 0.000 0.298 545 F C 1.985 177.922 175.800 0.228 0.000 1.096 545 F CA 1.235 59.352 58.000 0.194 0.000 1.275 545 F CB -0.449 38.666 39.000 0.190 0.000 1.008 545 F HN 0.075 nan 8.300 nan 0.000 0.480 546 A N 0.358 123.302 122.820 0.207 0.000 1.908 546 A HA -0.111 4.203 4.320 -0.010 0.000 0.218 546 A C 2.416 180.006 177.584 0.010 0.000 1.181 546 A CA 1.866 53.945 52.037 0.069 0.000 0.627 546 A CB -1.547 17.548 19.000 0.159 0.000 0.818 546 A HN 0.467 nan 8.150 nan 0.000 0.445 547 A N -1.636 121.224 122.820 0.066 0.000 1.933 547 A HA -0.094 4.220 4.320 -0.010 0.000 0.218 547 A C 2.113 179.713 177.584 0.027 0.000 1.175 547 A CA 1.588 53.657 52.037 0.053 0.000 0.628 547 A CB -0.760 18.287 19.000 0.078 0.000 0.814 547 A HN 0.771 nan 8.150 nan 0.000 0.444 548 Y N 0.453 120.691 120.300 -0.103 0.000 2.145 548 Y HA -0.158 4.386 4.550 -0.010 0.000 0.286 548 Y C 1.955 177.764 175.900 -0.151 0.000 1.145 548 Y CA 1.933 59.953 58.100 -0.133 0.000 1.148 548 Y CB -0.231 38.133 38.460 -0.160 0.000 0.981 548 Y HN 0.204 nan 8.280 nan 0.000 0.507 549 L N 0.085 121.144 121.223 -0.274 0.000 2.083 549 L HA -0.180 4.154 4.340 -0.010 0.000 0.209 549 L C 2.457 179.259 176.870 -0.114 0.000 1.083 549 L CA 1.691 56.401 54.840 -0.217 0.000 0.752 549 L CB -0.552 41.355 42.059 -0.254 0.000 0.899 549 L HN 0.248 nan 8.230 nan 0.000 0.433 550 E N 0.688 120.833 120.200 -0.092 0.000 2.072 550 E HA -0.233 4.111 4.350 -0.010 0.000 0.191 550 E C 2.230 178.784 176.600 -0.077 0.000 0.985 550 E CA 1.337 57.715 56.400 -0.036 0.000 0.801 550 E CB -0.049 29.659 29.700 0.013 0.000 0.750 550 E HN 0.199 nan 8.360 nan 0.000 0.452 551 R N -0.112 120.312 120.500 -0.127 0.000 2.066 551 R HA -0.089 4.245 4.340 -0.010 0.000 0.232 551 R C 1.707 177.859 176.300 -0.247 0.000 1.131 551 R CA 1.620 57.630 56.100 -0.149 0.000 0.955 551 R CB -0.008 30.217 30.300 -0.125 0.000 0.851 551 R HN 0.092 nan 8.270 nan 0.000 0.432 552 E N -0.972 118.968 120.200 -0.433 0.000 2.318 552 E HA -0.070 4.274 4.350 -0.010 0.000 0.193 552 E C 0.613 176.736 176.600 -0.795 0.000 0.998 552 E CA 0.883 56.871 56.400 -0.687 0.000 0.859 552 E CB 0.375 29.430 29.700 -1.075 0.000 0.812 552 E HN 0.486 nan 8.360 nan 0.000 0.492 553 Y N -0.248 119.931 120.300 -0.201 0.000 2.610 553 Y HA 0.212 4.756 4.550 -0.010 0.000 0.254 553 Y C 0.215 176.073 175.900 -0.071 0.000 1.110 553 Y CA -0.635 57.397 58.100 -0.114 0.000 1.238 553 Y CB 0.783 39.177 38.460 -0.110 0.000 1.322 553 Y HN -0.253 nan 8.280 nan 0.000 0.547 554 K N 0.107 120.526 120.400 0.030 0.000 3.016 554 K HA -0.149 4.165 4.320 -0.010 0.000 0.262 554 K C -0.577 176.060 176.600 0.061 0.000 1.043 554 K CA 0.446 56.752 56.287 0.032 0.000 0.761 554 K CB -2.188 30.327 32.500 0.024 0.000 1.230 554 K HN 0.133 nan 8.250 nan 0.000 0.485 555 V N 1.819 121.771 119.914 0.064 0.000 2.383 555 V HA 0.145 4.259 4.120 -0.010 0.000 0.275 555 V C 0.714 176.837 176.094 0.048 0.000 1.036 555 V CA -0.681 61.647 62.300 0.046 0.000 0.889 555 V CB 1.448 33.273 31.823 0.003 0.000 0.985 555 V HN 0.272 nan 8.190 nan 0.000 0.459 556 H N 6.552 125.609 119.070 -0.021 0.000 2.517 556 H HA 0.568 5.118 4.556 -0.010 0.000 0.317 556 H C -0.633 174.683 175.328 -0.021 0.000 1.080 556 H CA -0.521 55.519 56.048 -0.015 0.000 1.301 556 H CB 1.494 31.253 29.762 -0.005 0.000 1.425 556 H HN 0.720 nan 8.280 nan 0.000 0.471 557 I N 2.054 122.274 120.570 -0.583 0.000 2.693 557 I HA 0.328 4.492 4.170 -0.010 0.000 0.303 557 I C -0.196 175.607 176.117 -0.522 0.000 1.025 557 I CA -1.267 59.770 61.300 -0.440 0.000 1.086 557 I CB 1.831 39.676 38.000 -0.258 0.000 1.268 557 I HN 0.382 nan 8.210 nan 0.000 0.440 558 N N 6.311 124.890 118.700 -0.201 0.000 2.416 558 N HA 0.222 4.956 4.740 -0.010 0.000 0.265 558 N C -1.602 173.990 175.510 0.137 0.000 1.195 558 N CA -2.273 50.765 53.050 -0.020 0.000 0.943 558 N CB 0.786 39.298 38.487 0.042 0.000 1.115 558 N HN 0.474 nan 8.380 nan 0.000 0.481 559 P HA -0.066 nan 4.420 nan 0.000 0.223 559 P C -0.443 176.861 177.300 0.007 0.000 1.151 559 P CA 1.086 64.249 63.100 0.105 0.000 0.787 559 P CB 0.211 31.954 31.700 0.071 0.000 0.788 560 N N 0.128 118.852 118.700 0.040 0.000 2.575 560 N HA 0.106 4.840 4.740 -0.010 0.000 0.275 560 N C -0.177 175.361 175.510 0.046 0.000 1.202 560 N CA -0.307 52.758 53.050 0.025 0.000 0.945 560 N CB 0.114 38.624 38.487 0.040 0.000 1.247 560 N HN 0.163 nan 8.380 nan 0.000 0.510 561 S N -0.658 115.072 115.700 0.049 0.000 2.600 561 S HA 0.405 4.869 4.470 -0.010 0.000 0.300 561 S C -0.398 174.166 174.600 -0.060 0.000 1.087 561 S CA -1.026 57.190 58.200 0.028 0.000 0.965 561 S CB 1.646 64.901 63.200 0.092 0.000 1.089 561 S HN 0.196 nan 8.310 nan 0.000 0.496 562 L N 2.492 123.526 121.223 -0.316 0.000 2.418 562 L HA 0.393 4.727 4.340 -0.010 0.000 0.274 562 L C -0.992 175.861 176.870 -0.028 0.000 1.135 562 L CA -0.550 53.937 54.840 -0.589 0.000 0.870 562 L CB -0.174 41.249 42.059 -1.061 0.000 1.154 562 L HN 0.729 nan 8.230 nan 0.000 0.462 563 F N 4.318 124.133 119.950 -0.225 0.000 2.405 563 F HA 0.107 4.628 4.527 -0.009 0.000 0.358 563 F C 0.423 176.152 175.800 -0.117 0.000 1.151 563 F CA -0.838 57.091 58.000 -0.118 0.000 1.161 563 F CB 0.530 39.503 39.000 -0.045 0.000 1.245 563 F HN 0.523 nan 8.300 nan 0.000 0.545 564 D N 4.776 125.176 120.400 0.001 0.000 2.373 564 D HA 0.314 4.948 4.640 -0.010 0.000 0.227 564 D C -1.017 175.230 176.300 -0.090 0.000 1.091 564 D CA -0.194 53.766 54.000 -0.067 0.000 0.840 564 D CB 1.410 42.150 40.800 -0.099 0.000 1.060 564 D HN 0.118 nan 8.370 nan 0.000 0.502 565 V N 4.644 124.493 119.914 -0.107 0.000 2.444 565 V HA 0.347 4.461 4.120 -0.010 0.000 0.294 565 V C -0.172 175.789 176.094 -0.222 0.000 1.022 565 V CA -0.838 61.389 62.300 -0.122 0.000 0.850 565 V CB 1.625 33.468 31.823 0.034 0.000 0.992 565 V HN 0.518 nan 8.190 nan 0.000 0.426 566 Q N 3.963 123.642 119.800 -0.202 0.000 2.401 566 Q HA 0.643 4.978 4.340 -0.010 0.000 0.260 566 Q C -1.247 174.590 176.000 -0.272 0.000 1.034 566 Q CA -0.471 55.196 55.803 -0.226 0.000 0.737 566 Q CB 1.842 30.473 28.738 -0.179 0.000 1.227 566 Q HN 0.803 nan 8.270 nan 0.000 0.488 567 V N 1.683 121.425 119.914 -0.287 0.000 2.444 567 V HA 0.861 4.975 4.120 -0.010 0.000 0.294 567 V C -0.955 174.857 176.094 -0.469 0.000 1.022 567 V CA -0.595 61.329 62.300 -0.628 0.000 0.850 567 V CB 1.144 32.336 31.823 -1.051 0.000 0.992 567 V HN 0.822 nan 8.190 nan 0.000 0.426 568 K N 2.507 122.681 120.400 -0.377 0.000 2.960 568 K HA 0.410 4.724 4.320 -0.010 0.000 0.296 568 K C -1.237 175.381 176.600 0.029 0.000 1.092 568 K CA -1.185 55.084 56.287 -0.031 0.000 0.847 568 K CB 0.815 33.284 32.500 -0.053 0.000 1.458 568 K HN 0.438 nan 8.250 nan 0.000 0.359 569 R N 1.090 121.666 120.500 0.128 0.000 2.640 569 R HA 0.127 4.461 4.340 -0.010 0.000 0.270 569 R C 0.344 176.675 176.300 0.053 0.000 1.024 569 R CA -0.273 55.908 56.100 0.136 0.000 1.085 569 R CB -0.158 30.271 30.300 0.215 0.000 0.963 569 R HN 0.488 nan 8.270 nan 0.000 0.426 570 I N 4.829 125.403 120.570 0.008 0.000 2.494 570 I HA 0.069 4.234 4.170 -0.010 0.000 0.289 570 I C 0.716 176.697 176.117 -0.227 0.000 1.106 570 I CA 0.642 61.884 61.300 -0.097 0.000 1.369 570 I CB -0.448 37.494 38.000 -0.097 0.000 1.410 570 I HN 0.241 nan 8.210 nan 0.000 0.523 571 H N 4.620 123.562 119.070 -0.212 0.000 2.894 571 H HA 0.225 4.775 4.556 -0.010 0.000 0.367 571 H C 0.569 175.733 175.328 -0.272 0.000 1.144 571 H CA -0.447 55.494 56.048 -0.179 0.000 1.180 571 H CB 2.150 31.713 29.762 -0.332 0.000 1.758 571 H HN 0.534 nan 8.280 nan 0.000 0.541 572 E N 1.701 121.915 120.200 0.024 0.000 2.085 572 E HA -0.241 4.103 4.350 -0.010 0.000 0.194 572 E C 1.426 177.739 176.600 -0.479 0.000 0.994 572 E CA 1.771 58.119 56.400 -0.087 0.000 0.801 572 E CB 0.002 29.831 29.700 0.215 0.000 0.743 572 E HN 0.577 nan 8.360 nan 0.000 0.453 573 Y N 0.612 120.350 120.300 -0.936 0.000 2.352 573 Y HA -0.032 4.512 4.550 -0.010 0.000 0.292 573 Y C 1.530 177.170 175.900 -0.434 0.000 1.136 573 Y CA 0.880 58.292 58.100 -1.146 0.000 1.227 573 Y CB -0.125 37.706 38.460 -1.048 0.000 0.991 573 Y HN -0.205 nan 8.280 nan 0.000 0.545 574 K N 0.697 120.618 120.400 -0.797 0.000 2.432 574 K HA 0.075 4.389 4.320 -0.010 0.000 0.196 574 K C 0.104 176.533 176.600 -0.285 0.000 1.038 574 K CA 0.473 56.427 56.287 -0.554 0.000 0.986 574 K CB -0.027 32.130 32.500 -0.572 0.000 0.782 574 K HN 0.263 nan 8.250 nan 0.000 0.485 575 R N 0.437 120.793 120.500 -0.239 0.000 3.336 575 R HA -0.230 4.105 4.340 -0.010 0.000 0.260 575 R C 0.302 176.523 176.300 -0.131 0.000 1.032 575 R CA 0.195 56.208 56.100 -0.144 0.000 0.693 575 R CB -1.917 28.317 30.300 -0.109 0.000 1.134 575 R HN 0.294 nan 8.270 nan 0.000 0.433 576 Q N 0.368 120.088 119.800 -0.133 0.000 2.197 576 Q HA -0.096 4.238 4.340 -0.010 0.000 0.207 576 Q C 2.036 177.990 176.000 -0.076 0.000 0.984 576 Q CA 1.622 57.363 55.803 -0.103 0.000 0.869 576 Q CB -0.017 28.662 28.738 -0.097 0.000 0.906 576 Q HN 0.590 nan 8.270 nan 0.000 0.426 577 L N -0.626 120.554 121.223 -0.071 0.000 2.083 577 L HA -0.185 4.149 4.340 -0.010 0.000 0.209 577 L C 2.050 178.930 176.870 0.017 0.000 1.083 577 L CA 0.553 55.368 54.840 -0.042 0.000 0.752 577 L CB -0.373 41.672 42.059 -0.024 0.000 0.899 577 L HN 0.308 nan 8.230 nan 0.000 0.433 578 L N 0.098 121.327 121.223 0.009 0.000 2.046 578 L HA -0.249 4.085 4.340 -0.010 0.000 0.208 578 L C 2.059 179.008 176.870 0.132 0.000 1.077 578 L CA 1.940 56.806 54.840 0.042 0.000 0.747 578 L CB -0.857 41.122 42.059 -0.134 0.000 0.896 578 L HN 0.285 nan 8.230 nan 0.000 0.432 579 N N -1.577 117.160 118.700 0.061 0.000 2.069 579 N HA -0.255 4.479 4.740 -0.010 0.000 0.191 579 N C 1.954 177.552 175.510 0.146 0.000 1.031 579 N CA 1.745 54.907 53.050 0.187 0.000 0.852 579 N CB -0.153 38.367 38.487 0.055 0.000 1.018 579 N HN 0.509 nan 8.380 nan 0.000 0.423 580 C N 0.602 119.922 119.300 0.034 0.000 2.401 580 C HA -0.107 4.347 4.460 -0.010 0.000 0.276 580 C C 2.617 177.608 174.990 0.002 0.000 1.233 580 C CA 0.453 59.442 59.018 -0.048 0.000 1.753 580 C CB -1.286 26.372 27.740 -0.137 0.000 2.029 580 C HN 0.504 nan 8.230 nan 0.000 0.478 581 L N -0.431 120.861 121.223 0.115 0.000 2.083 581 L HA -0.200 4.134 4.340 -0.010 0.000 0.209 581 L C 2.757 179.803 176.870 0.293 0.000 1.083 581 L CA 1.830 56.794 54.840 0.207 0.000 0.752 581 L CB -1.045 41.205 42.059 0.319 0.000 0.899 581 L HN 0.593 nan 8.230 nan 0.000 0.433 582 H N -0.097 119.092 119.070 0.199 0.000 2.357 582 H HA -0.120 4.430 4.556 -0.010 0.000 0.301 582 H C 2.222 177.542 175.328 -0.014 0.000 1.082 582 H CA 1.754 57.824 56.048 0.037 0.000 1.342 582 H CB 0.368 30.055 29.762 -0.125 0.000 1.389 582 H HN 0.100 nan 8.280 nan 0.000 0.511 583 V N 1.570 121.401 119.914 -0.139 0.000 2.287 583 V HA -0.273 3.841 4.120 -0.010 0.000 0.248 583 V C 2.813 178.845 176.094 -0.104 0.000 1.053 583 V CA 1.876 64.061 62.300 -0.192 0.000 1.027 583 V CB -0.509 31.244 31.823 -0.116 0.000 0.646 583 V HN 0.384 nan 8.190 nan 0.000 0.447 584 I N -0.113 120.437 120.570 -0.034 0.000 2.286 584 I HA -0.219 3.945 4.170 -0.010 0.000 0.248 584 I C 2.519 178.719 176.117 0.139 0.000 1.115 584 I CA 1.708 63.071 61.300 0.105 0.000 1.392 584 I CB -0.748 37.303 38.000 0.086 0.000 1.065 584 I HN 0.321 nan 8.210 nan 0.000 0.418 585 T N 1.607 116.193 114.554 0.054 0.000 2.684 585 T HA -0.158 4.186 4.350 -0.010 0.000 0.267 585 T C 1.968 176.631 174.700 -0.062 0.000 1.036 585 T CA 1.369 63.487 62.100 0.031 0.000 1.148 585 T CB -0.395 68.508 68.868 0.059 0.000 0.863 585 T HN 0.250 nan 8.240 nan 0.000 0.436 586 L N -0.435 120.673 121.223 -0.192 0.000 2.012 586 L HA -0.132 4.202 4.340 -0.010 0.000 0.210 586 L C 2.383 179.219 176.870 -0.057 0.000 1.073 586 L CA 1.784 56.510 54.840 -0.190 0.000 0.748 586 L CB -0.677 41.198 42.059 -0.306 0.000 0.891 586 L HN 0.306 nan 8.230 nan 0.000 0.431 587 Y N 1.318 121.566 120.300 -0.087 0.000 2.097 587 Y HA -0.293 4.250 4.550 -0.010 0.000 0.282 587 Y C 2.555 178.454 175.900 -0.002 0.000 1.152 587 Y CA 1.884 59.977 58.100 -0.012 0.000 1.136 587 Y CB -0.115 38.392 38.460 0.079 0.000 0.975 587 Y HN 0.214 nan 8.280 nan 0.000 0.498 588 N N 0.427 119.099 118.700 -0.046 0.000 2.166 588 N HA -0.142 4.592 4.740 -0.010 0.000 0.186 588 N C 1.826 177.234 175.510 -0.170 0.000 1.019 588 N CA 1.520 54.479 53.050 -0.152 0.000 0.856 588 N CB -0.377 38.097 38.487 -0.023 0.000 0.993 588 N HN 0.444 nan 8.380 nan 0.000 0.426 589 R N 0.368 120.795 120.500 -0.121 0.000 2.092 589 R HA 0.080 4.414 4.340 -0.010 0.000 0.231 589 R C 2.214 178.434 176.300 -0.133 0.000 1.119 589 R CA 0.703 56.736 56.100 -0.110 0.000 0.970 589 R CB -0.245 30.000 30.300 -0.091 0.000 0.864 589 R HN 0.233 nan 8.270 nan 0.000 0.440 590 I N 0.962 121.434 120.570 -0.163 0.000 2.179 590 I HA -0.284 3.880 4.170 -0.010 0.000 0.242 590 I C 2.049 178.055 176.117 -0.186 0.000 1.088 590 I CA 1.226 62.428 61.300 -0.163 0.000 1.357 590 I CB -0.146 37.760 38.000 -0.156 0.000 1.051 590 I HN 0.011 nan 8.210 nan 0.000 0.409 591 K N 1.040 121.268 120.400 -0.286 0.000 2.147 591 K HA -0.141 4.173 4.320 -0.010 0.000 0.205 591 K C 1.983 178.486 176.600 -0.163 0.000 1.049 591 K CA 1.310 57.439 56.287 -0.263 0.000 0.936 591 K CB -0.324 31.939 32.500 -0.394 0.000 0.722 591 K HN 0.363 nan 8.250 nan 0.000 0.446 592 K N 0.611 120.923 120.400 -0.147 0.000 2.155 592 K HA -0.047 4.267 4.320 -0.010 0.000 0.203 592 K C 0.266 176.820 176.600 -0.077 0.000 1.052 592 K CA 0.869 57.095 56.287 -0.101 0.000 0.948 592 K CB 0.218 32.663 32.500 -0.091 0.000 0.728 592 K HN 0.152 nan 8.250 nan 0.000 0.448 593 E N 0.158 120.311 120.200 -0.078 0.000 3.386 593 E HA 0.085 4.429 4.350 -0.010 0.000 0.236 593 E C -2.208 174.359 176.600 -0.054 0.000 1.227 593 E CA -1.295 55.072 56.400 -0.055 0.000 0.970 593 E CB 1.350 31.023 29.700 -0.045 0.000 1.343 593 E HN 0.026 nan 8.360 nan 0.000 0.397 594 P HA -0.159 nan 4.420 nan 0.000 0.219 594 P C 0.608 177.895 177.300 -0.022 0.000 1.146 594 P CA 1.032 64.104 63.100 -0.046 0.000 0.808 594 P CB 0.386 32.062 31.700 -0.040 0.000 0.779 595 N N -0.241 118.453 118.700 -0.010 0.000 2.463 595 N HA -0.045 4.689 4.740 -0.010 0.000 0.181 595 N C 0.884 176.413 175.510 0.032 0.000 1.078 595 N CA 0.486 53.543 53.050 0.011 0.000 0.902 595 N CB -0.221 38.272 38.487 0.009 0.000 0.970 595 N HN 0.305 nan 8.380 nan 0.000 0.451 596 K N 1.002 121.412 120.400 0.017 0.000 2.349 596 K HA 0.034 4.348 4.320 -0.010 0.000 0.288 596 K C -0.566 176.069 176.600 0.058 0.000 1.058 596 K CA -0.434 55.876 56.287 0.039 0.000 0.953 596 K CB 0.270 32.773 32.500 0.005 0.000 0.997 596 K HN -0.151 nan 8.250 nan 0.000 0.477 597 F N 5.771 125.709 119.950 -0.020 0.000 2.572 597 F HA 0.143 4.664 4.527 -0.010 0.000 0.370 597 F C -0.425 175.361 175.800 -0.023 0.000 1.103 597 F CA -0.067 57.922 58.000 -0.018 0.000 1.286 597 F CB 0.547 39.540 39.000 -0.012 0.000 1.105 597 F HN 0.227 nan 8.300 nan 0.000 0.583 598 V N 4.316 123.661 119.914 -0.948 0.000 2.876 598 V HA 0.543 4.657 4.120 -0.010 0.000 0.312 598 V C -0.625 174.760 176.094 -1.182 0.000 1.085 598 V CA -1.264 60.553 62.300 -0.806 0.000 0.945 598 V CB 1.053 32.642 31.823 -0.390 0.000 1.017 598 V HN 0.609 nan 8.190 nan 0.000 0.428 599 V N 4.541 124.060 119.914 -0.657 0.000 2.493 599 V HA 0.158 4.272 4.120 -0.010 0.000 0.292 599 V C -1.867 174.030 176.094 -0.329 0.000 1.016 599 V CA -0.361 61.719 62.300 -0.367 0.000 1.097 599 V CB 0.239 31.974 31.823 -0.146 0.000 0.947 599 V HN 0.890 nan 8.190 nan 0.000 0.479 600 P HA 0.243 nan 4.420 nan 0.000 0.268 600 P C -0.342 176.851 177.300 -0.178 0.000 1.204 600 P CA 0.143 63.142 63.100 -0.169 0.000 0.768 600 P CB 0.460 32.120 31.700 -0.067 0.000 0.842 601 R N 1.466 121.874 120.500 -0.154 0.000 2.686 601 R HA 0.521 4.855 4.340 -0.010 0.000 0.286 601 R C -0.652 175.594 176.300 -0.090 0.000 0.969 601 R CA -0.627 55.386 56.100 -0.146 0.000 0.898 601 R CB 1.823 32.021 30.300 -0.170 0.000 1.183 601 R HN 0.295 nan 8.270 nan 0.000 0.456 602 T N 2.257 116.775 114.554 -0.060 0.000 2.801 602 T HA 0.215 4.559 4.350 -0.010 0.000 0.306 602 T C -0.110 174.499 174.700 -0.151 0.000 1.020 602 T CA -0.479 61.545 62.100 -0.128 0.000 0.948 602 T CB 0.998 69.720 68.868 -0.245 0.000 0.962 602 T HN 0.150 nan 8.240 nan 0.000 0.465 603 V N 6.047 125.881 119.914 -0.134 0.000 2.385 603 V HA 0.380 4.494 4.120 -0.010 0.000 0.269 603 V C 0.153 176.166 176.094 -0.136 0.000 1.043 603 V CA -0.336 61.892 62.300 -0.121 0.000 0.906 603 V CB 0.417 32.182 31.823 -0.096 0.000 0.995 603 V HN 0.851 nan 8.190 nan 0.000 0.467 604 M N 6.827 126.336 119.600 -0.152 0.000 2.243 604 M HA 0.624 5.098 4.480 -0.010 0.000 0.324 604 M C -0.980 175.205 176.300 -0.191 0.000 1.031 604 M CA -0.192 55.006 55.300 -0.170 0.000 0.949 604 M CB 1.966 34.458 32.600 -0.180 0.000 1.615 604 M HN 0.406 nan 8.290 nan 0.000 0.430 605 I N 1.704 122.136 120.570 -0.230 0.000 2.545 605 I HA 0.863 5.027 4.170 -0.010 0.000 0.292 605 I C 0.081 175.819 176.117 -0.631 0.000 1.040 605 I CA -0.689 60.437 61.300 -0.291 0.000 1.068 605 I CB 2.359 40.283 38.000 -0.127 0.000 1.251 605 I HN 0.813 nan 8.210 nan 0.000 0.424 606 G N 2.810 111.215 108.800 -0.658 0.000 2.696 606 G HA2 0.820 4.774 3.960 -0.010 0.000 0.295 606 G HA3 0.820 4.774 3.960 -0.010 0.000 0.295 606 G C -1.041 173.563 174.900 -0.493 0.000 1.398 606 G CA -0.750 43.827 45.100 -0.872 0.000 0.920 606 G HN 1.007 nan 8.290 nan 0.000 0.492 607 G N -0.277 108.408 108.800 -0.191 0.000 2.352 607 G HA2 0.413 4.367 3.960 -0.010 0.000 0.303 607 G HA3 0.413 4.367 3.960 -0.010 0.000 0.303 607 G C -1.306 173.743 174.900 0.248 0.000 1.593 607 G CA -1.059 44.101 45.100 0.100 0.000 0.963 607 G HN 0.604 nan 8.290 nan 0.000 0.685 608 K N 0.070 120.598 120.400 0.214 0.000 2.143 608 K HA 0.723 5.037 4.320 -0.010 0.000 0.272 608 K C 0.360 177.090 176.600 0.217 0.000 1.001 608 K CA -0.164 56.260 56.287 0.229 0.000 0.915 608 K CB 2.004 34.513 32.500 0.014 0.000 1.047 608 K HN 0.846 nan 8.250 nan 0.000 0.458 609 A N 1.671 124.646 122.820 0.258 0.000 2.306 609 A HA 0.597 4.911 4.320 -0.010 0.000 0.314 609 A C -0.282 177.454 177.584 0.254 0.000 1.164 609 A CA -0.686 51.426 52.037 0.126 0.000 0.822 609 A CB 0.803 19.800 19.000 -0.005 0.000 1.130 609 A HN 0.793 nan 8.150 nan 0.000 0.496 610 A N 3.757 126.698 122.820 0.202 0.000 2.546 610 A HA 0.444 4.758 4.320 -0.010 0.000 0.243 610 A C -1.332 176.311 177.584 0.099 0.000 1.063 610 A CA -0.743 51.422 52.037 0.213 0.000 0.757 610 A CB -0.387 18.721 19.000 0.180 0.000 0.991 610 A HN 0.612 nan 8.150 nan 0.000 0.503 611 P HA -0.168 nan 4.420 nan 0.000 0.217 611 P C 1.344 178.622 177.300 -0.036 0.000 1.151 611 P CA 2.086 65.106 63.100 -0.134 0.000 0.849 611 P CB 0.188 31.760 31.700 -0.214 0.000 0.787 612 G N -3.135 105.669 108.800 0.007 0.000 3.141 612 G HA2 -0.082 3.872 3.960 -0.010 0.000 0.218 612 G HA3 -0.082 3.872 3.960 -0.010 0.000 0.218 612 G C -0.223 174.708 174.900 0.052 0.000 1.170 612 G CA -0.110 44.999 45.100 0.014 0.000 0.769 612 G HN 0.314 nan 8.290 nan 0.000 0.546 613 Y N 1.490 121.737 120.300 -0.088 0.000 2.751 613 Y HA 0.216 4.760 4.550 -0.010 0.000 0.333 613 Y C 1.598 177.485 175.900 -0.022 0.000 1.122 613 Y CA -1.108 56.928 58.100 -0.108 0.000 1.367 613 Y CB 0.150 38.508 38.460 -0.171 0.000 1.242 613 Y HN 0.309 nan 8.280 nan 0.000 0.505 614 H N 4.086 123.279 119.070 0.205 0.000 2.319 614 H HA -0.223 4.327 4.556 -0.010 0.000 0.299 614 H C 1.764 177.130 175.328 0.062 0.000 1.092 614 H CA 2.349 58.459 56.048 0.103 0.000 1.302 614 H CB 0.387 30.200 29.762 0.085 0.000 1.373 614 H HN 0.726 nan 8.280 nan 0.000 0.497 615 M N 1.032 120.627 119.600 -0.009 0.000 2.117 615 M HA -0.065 4.409 4.480 -0.010 0.000 0.262 615 M C 2.580 178.658 176.300 -0.370 0.000 1.065 615 M CA 1.845 57.051 55.300 -0.155 0.000 1.114 615 M CB -0.710 31.938 32.600 0.080 0.000 1.361 615 M HN 0.335 nan 8.290 nan 0.000 0.408 616 A N -0.228 122.141 122.820 -0.751 0.000 1.908 616 A HA -0.213 4.101 4.320 -0.010 0.000 0.218 616 A C 2.199 179.574 177.584 -0.347 0.000 1.181 616 A CA 2.005 53.609 52.037 -0.722 0.000 0.627 616 A CB -0.684 17.646 19.000 -1.117 0.000 0.818 616 A HN 0.595 nan 8.150 nan 0.000 0.445 617 K N -1.193 119.061 120.400 -0.243 0.000 2.097 617 K HA -0.072 4.242 4.320 -0.010 0.000 0.205 617 K C 2.010 178.566 176.600 -0.073 0.000 1.050 617 K CA 1.364 57.598 56.287 -0.089 0.000 0.938 617 K CB -0.241 32.269 32.500 0.017 0.000 0.718 617 K HN 0.341 nan 8.250 nan 0.000 0.442 618 M N 0.567 120.077 119.600 -0.150 0.000 2.159 618 M HA -0.105 4.370 4.480 -0.010 0.000 0.263 618 M C 2.144 178.367 176.300 -0.127 0.000 1.063 618 M CA 1.450 56.697 55.300 -0.088 0.000 1.110 618 M CB -0.685 31.839 32.600 -0.127 0.000 1.374 618 M HN 0.131 nan 8.290 nan 0.000 0.411 619 I N -0.149 120.308 120.570 -0.188 0.000 2.226 619 I HA -0.300 3.865 4.170 -0.010 0.000 0.245 619 I C 2.287 178.258 176.117 -0.243 0.000 1.100 619 I CA 1.016 62.190 61.300 -0.209 0.000 1.374 619 I CB -0.313 37.569 38.000 -0.196 0.000 1.057 619 I HN 0.172 nan 8.210 nan 0.000 0.413 620 I N 0.670 121.078 120.570 -0.270 0.000 2.163 620 I HA -0.325 3.839 4.170 -0.010 0.000 0.243 620 I C 2.592 178.407 176.117 -0.503 0.000 1.085 620 I CA 1.339 62.370 61.300 -0.449 0.000 1.347 620 I CB -0.382 37.309 38.000 -0.516 0.000 1.044 620 I HN 0.168 nan 8.210 nan 0.000 0.408 621 K N 1.309 121.429 120.400 -0.466 0.000 2.097 621 K HA -0.197 4.117 4.320 -0.010 0.000 0.206 621 K C 1.947 178.354 176.600 -0.321 0.000 1.049 621 K CA 1.436 57.366 56.287 -0.596 0.000 0.933 621 K CB -0.508 31.344 32.500 -1.080 0.000 0.717 621 K HN 0.136 nan 8.250 nan 0.000 0.442 622 L N 0.666 121.695 121.223 -0.323 0.000 2.046 622 L HA -0.007 4.327 4.340 -0.010 0.000 0.208 622 L C 1.918 178.521 176.870 -0.445 0.000 1.077 622 L CA 1.572 56.044 54.840 -0.614 0.000 0.747 622 L CB -0.416 41.173 42.059 -0.782 0.000 0.896 622 L HN 0.266 nan 8.230 nan 0.000 0.432 623 I N -0.574 119.802 120.570 -0.323 0.000 2.163 623 I HA -0.344 3.820 4.170 -0.010 0.000 0.243 623 I C 2.477 178.485 176.117 -0.182 0.000 1.085 623 I CA 1.906 63.081 61.300 -0.208 0.000 1.347 623 I CB -0.944 37.031 38.000 -0.042 0.000 1.044 623 I HN 0.474 nan 8.210 nan 0.000 0.408 624 T N -0.674 113.749 114.554 -0.218 0.000 2.746 624 T HA -0.109 4.235 4.350 -0.010 0.000 0.267 624 T C 2.011 176.637 174.700 -0.124 0.000 1.039 624 T CA 1.011 63.012 62.100 -0.164 0.000 1.142 624 T CB -0.585 68.145 68.868 -0.230 0.000 0.866 624 T HN 0.347 nan 8.240 nan 0.000 0.444 625 A N 1.577 124.316 122.820 -0.135 0.000 1.902 625 A HA 0.114 4.428 4.320 -0.010 0.000 0.217 625 A C 2.406 179.984 177.584 -0.010 0.000 1.181 625 A CA 1.388 53.413 52.037 -0.020 0.000 0.623 625 A CB -0.871 18.221 19.000 0.154 0.000 0.818 625 A HN 0.595 nan 8.150 nan 0.000 0.443 626 I N -0.254 120.186 120.570 -0.216 0.000 2.179 626 I HA -0.223 3.941 4.170 -0.010 0.000 0.242 626 I C 2.726 178.778 176.117 -0.108 0.000 1.088 626 I CA 1.186 62.307 61.300 -0.299 0.000 1.357 626 I CB -0.674 37.027 38.000 -0.499 0.000 1.051 626 I HN 0.395 nan 8.210 nan 0.000 0.409 627 G N 0.466 109.206 108.800 -0.100 0.000 2.440 627 G HA2 -0.272 3.683 3.960 -0.010 0.000 0.218 627 G HA3 -0.272 3.683 3.960 -0.010 0.000 0.218 627 G C 1.264 176.172 174.900 0.013 0.000 1.154 627 G CA 1.063 46.129 45.100 -0.057 0.000 0.767 627 G HN 0.295 nan 8.290 nan 0.000 0.552 628 D N 0.056 120.487 120.400 0.051 0.000 2.149 628 D HA -0.096 4.538 4.640 -0.010 0.000 0.198 628 D C 2.705 179.094 176.300 0.150 0.000 0.990 628 D CA 0.865 54.943 54.000 0.129 0.000 0.839 628 D CB -0.239 40.579 40.800 0.029 0.000 0.948 628 D HN 0.267 nan 8.370 nan 0.000 0.460 629 V N 0.237 120.171 119.914 0.032 0.000 2.300 629 V HA -0.140 3.974 4.120 -0.010 0.000 0.241 629 V C 2.648 178.685 176.094 -0.095 0.000 1.034 629 V CA 0.748 62.995 62.300 -0.088 0.000 1.021 629 V CB -0.424 31.245 31.823 -0.258 0.000 0.662 629 V HN 0.016 nan 8.190 nan 0.000 0.458 630 V N 1.104 120.910 119.914 -0.180 0.000 2.287 630 V HA -0.237 3.877 4.120 -0.010 0.000 0.248 630 V C 2.129 178.197 176.094 -0.044 0.000 1.053 630 V CA 2.179 64.377 62.300 -0.170 0.000 1.027 630 V CB -0.906 30.819 31.823 -0.163 0.000 0.646 630 V HN 0.578 nan 8.190 nan 0.000 0.447 631 N N -0.491 118.144 118.700 -0.107 0.000 2.550 631 N HA -0.078 4.657 4.740 -0.010 0.000 0.186 631 N C 1.113 176.357 175.510 -0.444 0.000 1.110 631 N CA 0.833 53.726 53.050 -0.263 0.000 0.912 631 N CB -0.251 38.023 38.487 -0.354 0.000 0.968 631 N HN 0.695 nan 8.380 nan 0.000 0.448 632 H N -1.676 117.397 119.070 0.005 0.000 2.923 632 H HA 0.204 4.755 4.556 -0.010 0.000 0.268 632 H C -0.563 174.784 175.328 0.032 0.000 1.148 632 H CA -0.512 55.542 56.048 0.011 0.000 1.146 632 H CB 0.652 30.408 29.762 -0.010 0.000 1.607 632 H HN -0.028 nan 8.280 nan 0.000 0.566 633 D N 2.502 122.984 120.400 0.136 0.000 2.339 633 D HA 0.030 4.664 4.640 -0.010 0.000 0.241 633 D C -1.425 174.940 176.300 0.109 0.000 1.183 633 D CA -2.137 51.958 54.000 0.159 0.000 0.859 633 D CB 1.667 42.647 40.800 0.300 0.000 1.067 633 D HN 0.149 nan 8.370 nan 0.000 0.484 634 P HA -0.116 nan 4.420 nan 0.000 0.222 634 P C 1.502 178.828 177.300 0.044 0.000 1.147 634 P CA 0.352 63.485 63.100 0.055 0.000 0.790 634 P CB 0.530 32.258 31.700 0.047 0.000 0.780 635 V N -0.150 119.792 119.914 0.047 0.000 2.515 635 V HA -0.146 3.968 4.120 -0.010 0.000 0.250 635 V C 2.720 178.824 176.094 0.018 0.000 1.058 635 V CA 1.436 63.749 62.300 0.021 0.000 1.064 635 V CB -0.812 31.011 31.823 0.000 0.000 0.675 635 V HN -0.028 nan 8.190 nan 0.000 0.461 636 V N -0.359 119.585 119.914 0.050 0.000 2.331 636 V HA 0.227 4.341 4.120 -0.010 0.000 0.242 636 V C 1.904 178.016 176.094 0.029 0.000 1.034 636 V CA 1.346 63.675 62.300 0.049 0.000 1.027 636 V CB -1.150 30.752 31.823 0.132 0.000 0.667 636 V HN 0.660 nan 8.190 nan 0.000 0.457 637 G N 1.973 110.794 108.800 0.034 0.000 2.634 637 G HA2 -0.423 3.531 3.960 -0.010 0.000 0.309 637 G HA3 -0.423 3.531 3.960 -0.010 0.000 0.309 637 G C 0.434 175.343 174.900 0.015 0.000 1.265 637 G CA 0.714 45.827 45.100 0.022 0.000 0.998 637 G HN 0.680 nan 8.290 nan 0.000 0.551 638 D N 0.513 120.927 120.400 0.022 0.000 2.328 638 D HA 0.115 4.749 4.640 -0.010 0.000 0.226 638 D C 2.036 178.336 176.300 -0.000 0.000 1.066 638 D CA 0.541 54.556 54.000 0.024 0.000 0.861 638 D CB -0.200 40.636 40.800 0.060 0.000 0.912 638 D HN 0.626 nan 8.370 nan 0.000 0.521 639 R N -0.783 119.707 120.500 -0.017 0.000 2.148 639 R HA 0.173 4.507 4.340 -0.010 0.000 0.223 639 R C 0.084 176.339 176.300 -0.075 0.000 1.088 639 R CA 0.435 56.500 56.100 -0.059 0.000 0.985 639 R CB 0.063 30.318 30.300 -0.075 0.000 0.880 639 R HN 0.158 nan 8.270 nan 0.000 0.451 640 L N -0.024 121.172 121.223 -0.045 0.000 2.505 640 L HA 0.419 4.753 4.340 -0.010 0.000 0.266 640 L C -1.568 175.277 176.870 -0.042 0.000 0.954 640 L CA -0.682 54.127 54.840 -0.051 0.000 0.852 640 L CB 1.989 44.029 42.059 -0.032 0.000 1.282 640 L HN -0.187 nan 8.230 nan 0.000 0.403 641 R N 3.083 123.542 120.500 -0.068 0.000 2.621 641 R HA 0.878 5.212 4.340 -0.010 0.000 0.284 641 R C -1.904 174.338 176.300 -0.097 0.000 0.998 641 R CA -0.596 55.456 56.100 -0.081 0.000 0.895 641 R CB 2.249 32.497 30.300 -0.087 0.000 1.195 641 R HN 0.454 nan 8.270 nan 0.000 0.450 642 V N 6.230 126.087 119.914 -0.095 0.000 2.407 642 V HA 0.490 4.604 4.120 -0.010 0.000 0.291 642 V C -0.246 175.802 176.094 -0.077 0.000 1.018 642 V CA -0.685 61.559 62.300 -0.093 0.000 0.842 642 V CB 1.173 32.937 31.823 -0.098 0.000 0.996 642 V HN 0.688 nan 8.190 nan 0.000 0.426 643 I N 1.165 121.688 120.570 -0.078 0.000 2.608 643 I HA 0.685 4.849 4.170 -0.010 0.000 0.295 643 I C -1.172 174.932 176.117 -0.022 0.000 1.049 643 I CA -0.787 60.481 61.300 -0.052 0.000 1.063 643 I CB 2.134 40.082 38.000 -0.086 0.000 1.248 643 I HN 0.460 nan 8.210 nan 0.000 0.424 644 F N 6.570 126.453 119.950 -0.113 0.000 2.391 644 F HA 0.546 5.068 4.527 -0.009 0.000 0.359 644 F C -0.484 175.255 175.800 -0.101 0.000 1.122 644 F CA -0.604 57.333 58.000 -0.104 0.000 1.120 644 F CB 0.975 39.914 39.000 -0.102 0.000 1.142 644 F HN 0.401 nan 8.300 nan 0.000 0.483 645 L N 6.155 127.045 121.223 -0.556 0.000 2.385 645 L HA 0.165 4.499 4.340 -0.010 0.000 0.281 645 L C 0.410 177.098 176.870 -0.304 0.000 1.106 645 L CA -0.050 54.592 54.840 -0.330 0.000 0.856 645 L CB 0.407 42.346 42.059 -0.199 0.000 1.186 645 L HN 0.633 nan 8.230 nan 0.000 0.453 646 E N 4.408 124.553 120.200 -0.093 0.000 2.360 646 E HA -0.055 4.289 4.350 -0.010 0.000 0.269 646 E C 0.360 177.053 176.600 0.154 0.000 1.022 646 E CA -0.395 56.067 56.400 0.102 0.000 0.887 646 E CB 0.456 30.170 29.700 0.025 0.000 0.990 646 E HN 0.578 nan 8.360 nan 0.000 0.426 647 N N 2.735 121.566 118.700 0.219 0.000 2.756 647 N HA -0.274 4.460 4.740 -0.010 0.000 0.248 647 N C -1.551 174.059 175.510 0.168 0.000 1.062 647 N CA 0.522 53.688 53.050 0.192 0.000 0.696 647 N CB -1.734 36.879 38.487 0.209 0.000 0.946 647 N HN 0.528 nan 8.380 nan 0.000 0.548 648 Y N 1.652 121.970 120.300 0.030 0.000 2.721 648 Y HA 0.126 4.670 4.550 -0.010 0.000 0.329 648 Y C 1.138 177.060 175.900 0.036 0.000 1.211 648 Y CA 0.749 58.853 58.100 0.007 0.000 1.512 648 Y CB 0.270 38.702 38.460 -0.047 0.000 1.249 648 Y HN 0.368 nan 8.280 nan 0.000 0.549 649 R N 2.531 122.682 120.500 -0.581 0.000 2.747 649 R HA 0.437 4.771 4.340 -0.010 0.000 0.272 649 R C -0.497 175.461 176.300 -0.570 0.000 1.032 649 R CA -0.610 55.228 56.100 -0.437 0.000 0.896 649 R CB 0.361 30.582 30.300 -0.130 0.000 1.253 649 R HN 0.357 nan 8.270 nan 0.000 0.461 650 V N 1.134 120.734 119.914 -0.524 0.000 2.287 650 V HA -0.296 3.818 4.120 -0.010 0.000 0.248 650 V C 2.621 178.574 176.094 -0.234 0.000 1.053 650 V CA 2.866 64.925 62.300 -0.400 0.000 1.027 650 V CB -0.805 30.734 31.823 -0.473 0.000 0.646 650 V HN 0.933 nan 8.190 nan 0.000 0.447 651 S N 0.053 115.630 115.700 -0.205 0.000 2.382 651 S HA -0.199 4.265 4.470 -0.010 0.000 0.228 651 S C 1.945 176.472 174.600 -0.121 0.000 1.027 651 S CA 1.764 59.873 58.200 -0.152 0.000 0.991 651 S CB -0.552 62.588 63.200 -0.099 0.000 0.823 651 S HN 0.392 nan 8.310 nan 0.000 0.469 652 L N 2.023 123.185 121.223 -0.102 0.000 2.109 652 L HA 0.308 4.642 4.340 -0.010 0.000 0.207 652 L C 2.729 179.612 176.870 0.022 0.000 1.086 652 L CA 1.438 56.264 54.840 -0.025 0.000 0.760 652 L CB -1.340 40.772 42.059 0.089 0.000 0.910 652 L HN 0.360 nan 8.230 nan 0.000 0.437 653 A N -0.666 122.154 122.820 -0.000 0.000 1.908 653 A HA -0.260 4.054 4.320 -0.010 0.000 0.218 653 A C 2.142 179.804 177.584 0.131 0.000 1.181 653 A CA 1.969 54.092 52.037 0.143 0.000 0.627 653 A CB -0.652 18.430 19.000 0.138 0.000 0.818 653 A HN 0.609 nan 8.150 nan 0.000 0.445 654 E N -0.501 119.745 120.200 0.077 0.000 2.265 654 E HA -0.168 4.176 4.350 -0.010 0.000 0.196 654 E C 1.919 178.490 176.600 -0.049 0.000 0.996 654 E CA 1.215 57.605 56.400 -0.017 0.000 0.832 654 E CB -0.062 29.521 29.700 -0.195 0.000 0.756 654 E HN 0.642 nan 8.360 nan 0.000 0.491 655 K N 0.065 120.425 120.400 -0.066 0.000 2.141 655 K HA 0.016 4.330 4.320 -0.010 0.000 0.202 655 K C 2.161 178.673 176.600 -0.148 0.000 1.045 655 K CA 0.488 56.746 56.287 -0.049 0.000 0.971 655 K CB 0.006 32.462 32.500 -0.073 0.000 0.795 655 K HN -0.049 nan 8.250 nan 0.000 0.459 656 V N 1.801 121.520 119.914 -0.326 0.000 2.488 656 V HA -0.108 4.006 4.120 -0.010 0.000 0.246 656 V C 1.882 177.726 176.094 -0.416 0.000 1.046 656 V CA 1.131 62.973 62.300 -0.763 0.000 1.053 656 V CB -0.145 31.232 31.823 -0.745 0.000 0.679 656 V HN 0.238 nan 8.190 nan 0.000 0.458 657 I N 0.851 121.226 120.570 -0.325 0.000 2.179 657 I HA -0.130 4.034 4.170 -0.010 0.000 0.242 657 I C -0.271 175.710 176.117 -0.226 0.000 1.088 657 I CA 1.652 62.673 61.300 -0.465 0.000 1.357 657 I CB -1.552 36.049 38.000 -0.665 0.000 1.051 657 I HN 0.368 nan 8.210 nan 0.000 0.409 658 P HA -0.109 nan 4.420 nan 0.000 0.225 658 P C 0.942 178.238 177.300 -0.007 0.000 1.148 658 P CA 1.187 64.263 63.100 -0.040 0.000 0.779 658 P CB 0.022 31.712 31.700 -0.016 0.000 0.780 659 A N -1.087 121.718 122.820 -0.024 0.000 2.238 659 A HA 0.464 4.778 4.320 -0.010 0.000 0.210 659 A C 1.192 178.866 177.584 0.151 0.000 1.179 659 A CA 0.118 52.195 52.037 0.066 0.000 0.827 659 A CB -0.648 18.424 19.000 0.120 0.000 0.856 659 A HN 0.199 nan 8.150 nan 0.000 0.488 660 A N 0.050 122.951 122.820 0.135 0.000 2.401 660 A HA 0.460 4.774 4.320 -0.010 0.000 0.259 660 A C 0.362 178.095 177.584 0.248 0.000 1.103 660 A CA -0.163 52.025 52.037 0.252 0.000 0.789 660 A CB 0.319 19.577 19.000 0.430 0.000 1.035 660 A HN 0.284 nan 8.150 nan 0.000 0.491 661 D N 0.461 121.010 120.400 0.248 0.000 2.338 661 D HA 0.094 4.728 4.640 -0.010 0.000 0.224 661 D C -0.166 176.369 176.300 0.392 0.000 0.967 661 D CA 0.890 55.090 54.000 0.332 0.000 0.896 661 D CB 0.212 41.115 40.800 0.173 0.000 1.028 661 D HN 0.360 nan 8.370 nan 0.000 0.493 662 L N 0.530 121.865 121.223 0.186 0.000 2.356 662 L HA 0.345 4.679 4.340 -0.010 0.000 0.277 662 L C -0.734 176.044 176.870 -0.153 0.000 0.996 662 L CA -0.524 54.350 54.840 0.058 0.000 0.822 662 L CB 2.131 44.188 42.059 -0.005 0.000 1.256 662 L HN -0.292 nan 8.230 nan 0.000 0.413 663 S N 4.122 119.640 115.700 -0.303 0.000 2.422 663 S HA 0.424 4.888 4.470 -0.010 0.000 0.308 663 S C -0.555 173.765 174.600 -0.468 0.000 1.097 663 S CA -0.646 57.092 58.200 -0.770 0.000 1.099 663 S CB 0.261 62.963 63.200 -0.830 0.000 0.976 663 S HN 0.612 nan 8.310 nan 0.000 0.471 664 E N 4.103 124.030 120.200 -0.455 0.000 2.105 664 E HA 0.196 4.540 4.350 -0.010 0.000 0.285 664 E C -0.469 176.012 176.600 -0.198 0.000 1.055 664 E CA -0.297 55.972 56.400 -0.217 0.000 0.843 664 E CB 0.916 30.520 29.700 -0.160 0.000 1.067 664 E HN 0.609 nan 8.360 nan 0.000 0.398 665 Q N 2.801 122.549 119.800 -0.086 0.000 3.122 665 Q HA 0.262 4.596 4.340 -0.010 0.000 0.282 665 Q C 0.579 176.565 176.000 -0.023 0.000 0.947 665 Q CA -0.120 55.642 55.803 -0.068 0.000 0.812 665 Q CB 0.216 28.923 28.738 -0.052 0.000 1.333 665 Q HN 0.605 nan 8.270 nan 0.000 0.430 666 I N -1.835 118.707 120.570 -0.047 0.000 3.654 666 I HA 0.271 4.435 4.170 -0.010 0.000 0.337 666 I C 0.410 176.474 176.117 -0.087 0.000 1.568 666 I CA -0.686 60.598 61.300 -0.027 0.000 1.115 666 I CB 0.522 38.500 38.000 -0.037 0.000 1.300 666 I HN -0.008 nan 8.210 nan 0.000 0.471 667 S N 0.409 116.060 115.700 -0.082 0.000 2.563 667 S HA 0.148 4.612 4.470 -0.010 0.000 0.284 667 S C 0.589 175.171 174.600 -0.030 0.000 1.331 667 S CA -0.252 57.925 58.200 -0.038 0.000 1.047 667 S CB 0.170 63.405 63.200 0.059 0.000 0.859 667 S HN 0.393 nan 8.310 nan 0.000 0.514 668 T N 2.851 117.423 114.554 0.029 0.000 2.908 668 T HA 0.354 4.698 4.350 -0.010 0.000 0.301 668 T C 0.764 175.471 174.700 0.011 0.000 1.019 668 T CA 0.285 62.406 62.100 0.034 0.000 1.152 668 T CB -0.038 68.921 68.868 0.151 0.000 0.966 668 T HN 1.013 nan 8.240 nan 0.000 0.540 669 A N 2.775 125.568 122.820 -0.045 0.000 2.566 669 A HA 0.459 4.773 4.320 -0.010 0.000 0.245 669 A C 1.624 179.195 177.584 -0.021 0.000 1.056 669 A CA 0.277 52.282 52.037 -0.052 0.000 0.757 669 A CB -0.896 18.060 19.000 -0.074 0.000 0.979 669 A HN 1.688 nan 8.150 nan 0.000 0.508 670 G N 1.454 110.241 108.800 -0.022 0.000 2.179 670 G HA2 -0.227 3.727 3.960 -0.010 0.000 0.220 670 G HA3 -0.227 3.727 3.960 -0.010 0.000 0.220 670 G C 0.837 175.720 174.900 -0.028 0.000 0.990 670 G CA 1.048 46.138 45.100 -0.017 0.000 0.646 670 G HN 1.949 nan 8.290 nan 0.000 0.517 671 T N -2.498 112.036 114.554 -0.033 0.000 3.018 671 T HA 0.418 4.762 4.350 -0.010 0.000 0.246 671 T C 0.710 175.229 174.700 -0.302 0.000 1.026 671 T CA 1.043 63.055 62.100 -0.147 0.000 1.081 671 T CB 0.615 69.461 68.868 -0.036 0.000 0.970 671 T HN 0.270 nan 8.240 nan 0.000 0.475 672 E N 1.412 121.577 120.200 -0.058 0.000 2.044 672 E HA 0.673 5.017 4.350 -0.010 0.000 0.282 672 E C 1.122 177.668 176.600 -0.089 0.000 1.031 672 E CA 0.030 56.437 56.400 0.011 0.000 0.824 672 E CB 0.886 30.660 29.700 0.123 0.000 1.076 672 E HN 0.330 nan 8.360 nan 0.000 0.395 673 A N 3.384 126.084 122.820 -0.200 0.000 1.917 673 A HA -0.190 4.124 4.320 -0.010 0.000 0.219 673 A C 1.962 179.430 177.584 -0.193 0.000 1.182 673 A CA 2.182 53.987 52.037 -0.386 0.000 0.633 673 A CB -0.203 18.345 19.000 -0.754 0.000 0.819 673 A HN 0.599 nan 8.150 nan 0.000 0.448 674 S N -3.869 111.775 115.700 -0.094 0.000 3.770 674 S HA 0.446 4.910 4.470 -0.010 0.000 0.238 674 S C 0.728 175.323 174.600 -0.009 0.000 1.143 674 S CA 1.436 59.625 58.200 -0.018 0.000 0.869 674 S CB -0.182 63.033 63.200 0.024 0.000 1.057 674 S HN 2.248 nan 8.310 nan 0.000 0.507 675 G N 0.400 109.202 108.800 0.004 0.000 2.716 675 G HA2 -0.076 3.878 3.960 -0.010 0.000 0.686 675 G HA3 -0.076 3.878 3.960 -0.010 0.000 0.686 675 G C 0.257 175.149 174.900 -0.013 0.000 1.337 675 G CA 0.457 45.557 45.100 0.001 0.000 0.829 675 G HN 1.318 nan 8.290 nan 0.000 0.599 676 T N -1.848 112.687 114.554 -0.032 0.000 3.010 676 T HA 0.382 4.726 4.350 -0.010 0.000 0.253 676 T C 2.379 176.994 174.700 -0.142 0.000 0.939 676 T CA 1.234 63.287 62.100 -0.079 0.000 0.910 676 T CB 0.253 69.067 68.868 -0.090 0.000 1.226 676 T HN 1.878 nan 8.240 nan 0.000 0.508 677 G N 3.458 112.204 108.800 -0.089 0.000 2.440 677 G HA2 -0.290 3.664 3.960 -0.010 0.000 0.218 677 G HA3 -0.290 3.664 3.960 -0.010 0.000 0.218 677 G C 1.565 176.536 174.900 0.119 0.000 1.154 677 G CA 1.400 46.477 45.100 -0.038 0.000 0.767 677 G HN 0.680 nan 8.290 nan 0.000 0.552 678 N N 0.895 119.637 118.700 0.070 0.000 2.060 678 N HA -0.180 4.554 4.740 -0.010 0.000 0.195 678 N C 1.437 176.961 175.510 0.023 0.000 1.028 678 N CA 1.211 54.293 53.050 0.053 0.000 0.861 678 N CB -0.700 37.767 38.487 -0.033 0.000 1.029 678 N HN 0.409 nan 8.380 nan 0.000 0.428 682 M N 0.271 119.956 119.600 0.142 0.000 2.117 682 M HA -0.135 4.339 4.480 -0.010 0.000 0.262 682 M C 2.029 178.377 176.300 0.081 0.000 1.065 682 M CA 1.795 57.142 55.300 0.079 0.000 1.114 682 M CB -0.083 32.569 32.600 0.087 0.000 1.361 682 M HN 0.308 nan 8.290 nan 0.000 0.408 683 L N 0.948 122.222 121.223 0.085 0.000 2.191 683 L HA -0.123 4.211 4.340 -0.010 0.000 0.212 683 L C 1.347 178.260 176.870 0.072 0.000 1.103 683 L CA 1.712 56.609 54.840 0.094 0.000 0.769 683 L CB -0.705 41.422 42.059 0.113 0.000 0.908 683 L HN 0.371 nan 8.230 nan 0.000 0.438 684 N N -0.363 118.369 118.700 0.053 0.000 2.235 684 N HA 0.164 4.898 4.740 -0.010 0.000 0.209 684 N C 0.853 176.391 175.510 0.046 0.000 1.122 684 N CA 0.778 53.850 53.050 0.038 0.000 0.845 684 N CB 0.530 39.016 38.487 -0.002 0.000 1.004 684 N HN 0.421 nan 8.380 nan 0.000 0.499 685 G N 0.594 109.425 108.800 0.052 0.000 2.142 685 G HA2 -0.211 3.743 3.960 -0.010 0.000 0.225 685 G HA3 -0.211 3.743 3.960 -0.010 0.000 0.225 685 G C 0.016 174.974 174.900 0.097 0.000 1.015 685 G CA 0.153 45.282 45.100 0.048 0.000 0.716 685 G HN 0.511 nan 8.290 nan 0.000 0.508 686 A N -0.294 122.597 122.820 0.118 0.000 2.312 686 A HA 0.872 5.186 4.320 -0.010 0.000 0.328 686 A C 0.404 177.984 177.584 -0.007 0.000 1.158 686 A CA -0.582 51.551 52.037 0.159 0.000 0.821 686 A CB 0.951 20.129 19.000 0.295 0.000 1.170 686 A HN 0.723 nan 8.150 nan 0.000 0.490 687 L N 0.930 122.114 121.223 -0.065 0.000 2.379 687 L HA 0.444 4.778 4.340 -0.010 0.000 0.269 687 L C 0.176 176.943 176.870 -0.172 0.000 1.084 687 L CA -0.363 54.323 54.840 -0.256 0.000 0.802 687 L CB 1.611 43.408 42.059 -0.437 0.000 1.175 687 L HN 0.682 nan 8.230 nan 0.000 0.448 688 T N 2.950 117.328 114.554 -0.293 0.000 2.771 688 T HA 0.441 4.786 4.350 -0.010 0.000 0.281 688 T C -0.350 174.404 174.700 0.089 0.000 0.982 688 T CA -0.243 61.756 62.100 -0.168 0.000 0.978 688 T CB 1.412 70.150 68.868 -0.216 0.000 0.930 688 T HN 0.346 nan 8.240 nan 0.000 0.447 689 I N 3.183 123.810 120.570 0.094 0.000 2.312 689 I HA 0.688 4.852 4.170 -0.010 0.000 0.290 689 I C 0.153 176.464 176.117 0.325 0.000 1.008 689 I CA 0.137 61.584 61.300 0.244 0.000 1.226 689 I CB 0.199 38.245 38.000 0.076 0.000 1.371 689 I HN 0.768 nan 8.210 nan 0.000 0.468 690 G N 4.012 113.071 108.800 0.432 0.000 2.646 690 G HA2 0.462 4.416 3.960 -0.010 0.000 0.291 690 G HA3 0.462 4.416 3.960 -0.010 0.000 0.291 690 G C -0.878 173.934 174.900 -0.146 0.000 1.445 690 G CA -0.468 44.758 45.100 0.210 0.000 0.814 690 G HN 0.569 nan 8.290 nan 0.000 0.495 691 T N -1.122 113.204 114.554 -0.381 0.000 2.849 691 T HA 0.481 4.825 4.350 -0.010 0.000 0.284 691 T C 0.814 175.376 174.700 -0.230 0.000 1.004 691 T CA -0.688 61.116 62.100 -0.492 0.000 1.021 691 T CB 1.056 69.654 68.868 -0.451 0.000 1.013 691 T HN 0.263 nan 8.240 nan 0.000 0.527 692 M N 2.828 122.309 119.600 -0.199 0.000 3.442 692 M HA 0.300 4.774 4.480 -0.010 0.000 0.232 692 M C -0.434 175.803 176.300 -0.105 0.000 1.508 692 M CA 0.058 55.280 55.300 -0.130 0.000 1.647 692 M CB -1.850 30.686 32.600 -0.107 0.000 1.126 692 M HN 0.726 nan 8.290 nan 0.000 0.557 693 D N -0.024 120.319 120.400 -0.096 0.000 2.732 693 D HA 0.664 5.298 4.640 -0.010 0.000 0.229 693 D C 0.678 176.948 176.300 -0.050 0.000 1.152 693 D CA 0.746 54.706 54.000 -0.066 0.000 0.854 693 D CB 1.702 42.465 40.800 -0.062 0.000 1.590 693 D HN 0.599 nan 8.370 nan 0.000 0.468 694 G N 1.898 110.680 108.800 -0.030 0.000 2.614 694 G HA2 -0.249 3.705 3.960 -0.010 0.000 0.303 694 G HA3 -0.249 3.705 3.960 -0.010 0.000 0.303 694 G C 1.021 175.911 174.900 -0.016 0.000 1.270 694 G CA 1.053 46.142 45.100 -0.018 0.000 0.988 694 G HN 1.091 nan 8.290 nan 0.000 0.551 695 A N -0.208 122.600 122.820 -0.020 0.000 2.206 695 A HA 0.138 4.452 4.320 -0.010 0.000 0.211 695 A C 2.078 179.590 177.584 -0.121 0.000 1.158 695 A CA 1.727 53.750 52.037 -0.024 0.000 0.761 695 A CB -0.436 18.558 19.000 -0.011 0.000 0.801 695 A HN 0.618 nan 8.150 nan 0.000 0.473 696 N N 0.576 119.205 118.700 -0.118 0.000 2.137 696 N HA -0.159 4.575 4.740 -0.010 0.000 0.190 696 N C 1.579 176.959 175.510 -0.218 0.000 1.017 696 N CA 1.642 54.602 53.050 -0.150 0.000 0.859 696 N CB -0.603 37.833 38.487 -0.086 0.000 1.002 696 N HN 0.300 nan 8.380 nan 0.000 0.428 697 V N 1.211 121.041 119.914 -0.140 0.000 2.295 697 V HA -0.202 3.912 4.120 -0.010 0.000 0.246 697 V C 1.981 178.001 176.094 -0.122 0.000 1.049 697 V CA 1.668 63.890 62.300 -0.131 0.000 1.024 697 V CB -0.497 31.282 31.823 -0.074 0.000 0.648 697 V HN 0.340 nan 8.190 nan 0.000 0.447 698 E N -0.532 119.649 120.200 -0.032 0.000 2.152 698 E HA -0.140 4.204 4.350 -0.010 0.000 0.192 698 E C 2.218 178.926 176.600 0.179 0.000 0.983 698 E CA 1.076 57.536 56.400 0.101 0.000 0.818 698 E CB -0.197 29.651 29.700 0.246 0.000 0.758 698 E HN 0.534 nan 8.360 nan 0.000 0.467 699 M N 0.526 120.092 119.600 -0.057 0.000 2.086 699 M HA -0.168 4.306 4.480 -0.010 0.000 0.261 699 M C 2.505 178.465 176.300 -0.566 0.000 1.067 699 M CA 1.626 56.772 55.300 -0.258 0.000 1.116 699 M CB -0.233 32.081 32.600 -0.476 0.000 1.348 699 M HN 0.146 nan 8.290 nan 0.000 0.407 700 A N -0.240 121.985 122.820 -0.992 0.000 1.933 700 A HA -0.217 4.097 4.320 -0.010 0.000 0.218 700 A C 2.006 179.374 177.584 -0.361 0.000 1.175 700 A CA 1.929 53.358 52.037 -1.013 0.000 0.628 700 A CB -0.810 17.739 19.000 -0.751 0.000 0.814 700 A HN 0.585 nan 8.150 nan 0.000 0.444 701 E N -0.371 119.704 120.200 -0.207 0.000 2.051 701 E HA -0.221 4.123 4.350 -0.010 0.000 0.192 701 E C 1.813 178.393 176.600 -0.034 0.000 0.991 701 E CA 1.268 57.616 56.400 -0.087 0.000 0.799 701 E CB -0.091 29.579 29.700 -0.049 0.000 0.748 701 E HN 0.548 nan 8.360 nan 0.000 0.449 702 E N 0.070 120.280 120.200 0.017 0.000 2.077 702 E HA -0.165 4.179 4.350 -0.010 0.000 0.193 702 E C 1.826 178.470 176.600 0.074 0.000 0.989 702 E CA 1.200 57.640 56.400 0.066 0.000 0.800 702 E CB -0.202 29.601 29.700 0.173 0.000 0.746 702 E HN 0.360 nan 8.360 nan 0.000 0.452 703 A N 0.233 123.110 122.820 0.095 0.000 2.081 703 A HA 0.336 4.650 4.320 -0.010 0.000 0.214 703 A C 1.064 178.702 177.584 0.091 0.000 1.158 703 A CA 1.070 53.198 52.037 0.151 0.000 0.724 703 A CB 0.017 19.236 19.000 0.366 0.000 0.826 703 A HN 0.254 nan 8.150 nan 0.000 0.463 704 G N -0.460 108.360 108.800 0.033 0.000 3.190 704 G HA2 -0.108 3.846 3.960 -0.010 0.000 0.686 704 G HA3 -0.108 3.846 3.960 -0.010 0.000 0.686 704 G C -0.016 174.898 174.900 0.022 0.000 1.033 704 G CA 0.042 45.149 45.100 0.012 0.000 0.797 704 G HN 0.274 nan 8.290 nan 0.000 0.567 705 E N 0.586 120.772 120.200 -0.023 0.000 2.209 705 E HA -0.205 4.140 4.350 -0.010 0.000 0.196 705 E C 2.361 178.964 176.600 0.005 0.000 0.993 705 E CA 1.333 57.722 56.400 -0.017 0.000 0.819 705 E CB 0.087 29.765 29.700 -0.038 0.000 0.745 705 E HN 0.790 nan 8.360 nan 0.000 0.477 706 E N 0.806 120.995 120.200 -0.019 0.000 2.333 706 E HA -0.188 4.156 4.350 -0.010 0.000 0.198 706 E C 0.821 177.352 176.600 -0.115 0.000 1.007 706 E CA 0.863 57.225 56.400 -0.063 0.000 0.845 706 E CB -0.110 29.561 29.700 -0.048 0.000 0.766 706 E HN 0.212 nan 8.360 nan 0.000 0.507 707 N N -0.354 118.325 118.700 -0.035 0.000 2.230 707 N HA 0.155 4.889 4.740 -0.010 0.000 0.202 707 N C -0.989 174.437 175.510 -0.139 0.000 1.119 707 N CA 0.063 53.060 53.050 -0.089 0.000 0.851 707 N CB 0.279 38.770 38.487 0.006 0.000 0.990 707 N HN 0.028 nan 8.380 nan 0.000 0.497 708 F N -0.430 119.349 119.950 -0.285 0.000 2.563 708 F HA 0.400 4.920 4.527 -0.011 0.000 0.316 708 F C -0.251 175.369 175.800 -0.299 0.000 1.076 708 F CA -1.037 56.834 58.000 -0.215 0.000 0.921 708 F CB 1.161 40.108 39.000 -0.089 0.000 1.209 708 F HN -0.204 nan 8.300 nan 0.000 0.462 709 F N 4.659 124.670 119.950 0.101 0.000 2.541 709 F HA 0.303 4.824 4.527 -0.010 0.000 0.351 709 F C -0.076 175.869 175.800 0.242 0.000 1.209 709 F CA -0.375 57.697 58.000 0.120 0.000 1.277 709 F CB -0.351 38.676 39.000 0.045 0.000 1.632 709 F HN 0.015 nan 8.300 nan 0.000 0.619 710 I N 3.629 124.379 120.570 0.301 0.000 2.395 710 I HA 0.275 4.439 4.170 -0.010 0.000 0.289 710 I C -0.048 176.236 176.117 0.277 0.000 1.023 710 I CA -0.635 60.802 61.300 0.229 0.000 1.350 710 I CB 0.234 38.286 38.000 0.087 0.000 1.409 710 I HN 0.284 nan 8.210 nan 0.000 0.507 711 F N 2.889 122.894 119.950 0.092 0.000 2.685 711 F HA 0.892 5.412 4.527 -0.010 0.000 0.315 711 F C 0.068 175.903 175.800 0.057 0.000 1.126 711 F CA -0.589 57.461 58.000 0.082 0.000 0.950 711 F CB 1.292 40.361 39.000 0.114 0.000 1.360 711 F HN 0.801 nan 8.300 nan 0.000 0.469 712 G N 1.033 109.898 108.800 0.108 0.000 2.757 712 G HA2 -0.082 3.872 3.960 -0.010 0.000 0.638 712 G HA3 -0.082 3.872 3.960 -0.010 0.000 0.638 712 G C -0.832 174.037 174.900 -0.052 0.000 1.344 712 G CA -0.644 44.462 45.100 0.010 0.000 0.855 712 G HN 0.973 nan 8.290 nan 0.000 0.537 713 M N 0.278 119.860 119.600 -0.029 0.000 2.251 713 M HA 0.232 4.706 4.480 -0.010 0.000 0.343 713 M C 1.137 177.398 176.300 -0.065 0.000 1.245 713 M CA 0.313 55.600 55.300 -0.021 0.000 1.061 713 M CB 0.289 32.884 32.600 -0.007 0.000 1.723 713 M HN 0.555 nan 8.290 nan 0.000 0.449 714 R N 1.318 121.793 120.500 -0.041 0.000 2.546 714 R HA 0.242 4.576 4.340 -0.010 0.000 0.266 714 R C 1.077 177.354 176.300 -0.037 0.000 1.086 714 R CA -0.472 55.598 56.100 -0.049 0.000 1.160 714 R CB 0.261 30.540 30.300 -0.035 0.000 1.138 714 R HN 0.578 nan 8.270 nan 0.000 0.567 715 V N 1.734 121.625 119.914 -0.038 0.000 2.324 715 V HA -0.301 3.813 4.120 -0.010 0.000 0.250 715 V C 2.078 178.160 176.094 -0.021 0.000 1.060 715 V CA 2.385 64.667 62.300 -0.030 0.000 1.042 715 V CB -0.746 31.058 31.823 -0.032 0.000 0.650 715 V HN 0.853 nan 8.190 nan 0.000 0.450 716 E N 0.152 120.341 120.200 -0.017 0.000 2.118 716 E HA -0.289 4.055 4.350 -0.010 0.000 0.195 716 E C 1.564 178.167 176.600 0.004 0.000 0.992 716 E CA 1.843 58.238 56.400 -0.008 0.000 0.804 716 E CB -0.497 29.199 29.700 -0.007 0.000 0.741 716 E HN 0.624 nan 8.360 nan 0.000 0.458 717 D N 1.140 121.544 120.400 0.007 0.000 2.149 717 D HA -0.075 4.559 4.640 -0.010 0.000 0.201 717 D C 2.318 178.635 176.300 0.028 0.000 0.972 717 D CA 1.044 55.060 54.000 0.026 0.000 0.835 717 D CB -0.037 40.783 40.800 0.032 0.000 0.966 717 D HN 0.133 nan 8.370 nan 0.000 0.476 718 V N 2.040 121.957 119.914 0.004 0.000 2.295 718 V HA -0.226 3.888 4.120 -0.010 0.000 0.246 718 V C 1.957 178.051 176.094 -0.001 0.000 1.049 718 V CA 1.787 64.082 62.300 -0.010 0.000 1.024 718 V CB -0.459 31.347 31.823 -0.029 0.000 0.648 718 V HN 0.024 nan 8.190 nan 0.000 0.447 719 D N -0.131 120.268 120.400 -0.002 0.000 2.123 719 D HA -0.150 4.484 4.640 -0.010 0.000 0.196 719 D C 2.408 178.718 176.300 0.017 0.000 0.992 719 D CA 1.218 55.219 54.000 0.001 0.000 0.833 719 D CB -0.293 40.503 40.800 -0.006 0.000 0.954 719 D HN 0.376 nan 8.370 nan 0.000 0.455 720 R N 0.019 120.535 120.500 0.026 0.000 2.096 720 R HA -0.014 4.320 4.340 -0.010 0.000 0.235 720 R C 2.505 178.842 176.300 0.061 0.000 1.127 720 R CA 0.505 56.629 56.100 0.040 0.000 0.968 720 R CB -0.308 30.018 30.300 0.042 0.000 0.861 720 R HN 0.210 nan 8.270 nan 0.000 0.440 721 L N 0.593 121.864 121.223 0.079 0.000 2.056 721 L HA -0.204 4.130 4.340 -0.010 0.000 0.207 721 L C 1.619 178.555 176.870 0.111 0.000 1.078 721 L CA 1.212 56.129 54.840 0.127 0.000 0.749 721 L CB -0.303 41.856 42.059 0.167 0.000 0.901 721 L HN 0.199 nan 8.230 nan 0.000 0.433 722 D N -0.476 119.961 120.400 0.062 0.000 2.144 722 D HA -0.204 4.430 4.640 -0.010 0.000 0.199 722 D C 2.228 178.554 176.300 0.044 0.000 0.984 722 D CA 1.057 55.084 54.000 0.045 0.000 0.834 722 D CB -0.061 40.745 40.800 0.010 0.000 0.955 722 D HN 0.396 nan 8.370 nan 0.000 0.465 723 Q N -0.079 119.744 119.800 0.039 0.000 2.096 723 Q HA -0.166 4.168 4.340 -0.010 0.000 0.204 723 Q C 2.124 178.148 176.000 0.039 0.000 0.982 723 Q CA 1.519 57.342 55.803 0.032 0.000 0.850 723 Q CB -0.032 28.722 28.738 0.027 0.000 0.901 723 Q HN 0.340 nan 8.270 nan 0.000 0.422 724 R N -0.797 119.734 120.500 0.052 0.000 2.290 724 R HA 0.258 4.592 4.340 -0.010 0.000 0.197 724 R C 0.080 176.415 176.300 0.058 0.000 0.913 724 R CA 0.624 56.754 56.100 0.050 0.000 1.040 724 R CB 0.539 30.869 30.300 0.050 0.000 0.992 724 R HN 0.072 nan 8.270 nan 0.000 0.500 725 G N 0.927 109.776 108.800 0.081 0.000 3.225 725 G HA2 -0.253 3.701 3.960 -0.010 0.000 0.686 725 G HA3 -0.253 3.701 3.960 -0.010 0.000 0.686 725 G C -1.438 173.550 174.900 0.146 0.000 1.105 725 G CA -0.410 44.747 45.100 0.095 0.000 0.831 725 G HN 0.300 nan 8.290 nan 0.000 0.578 726 Y N 3.124 123.451 120.300 0.046 0.000 2.480 726 Y HA 0.560 5.104 4.550 -0.010 0.000 0.341 726 Y C 0.334 176.282 175.900 0.080 0.000 1.031 726 Y CA -1.025 57.122 58.100 0.077 0.000 1.295 726 Y CB 1.071 39.556 38.460 0.042 0.000 1.162 726 Y HN 0.615 nan 8.280 nan 0.000 0.523 727 N N 4.962 123.442 118.700 -0.366 0.000 2.626 727 N HA 0.324 5.058 4.740 -0.010 0.000 0.242 727 N C 0.357 175.616 175.510 -0.419 0.000 1.005 727 N CA 0.273 53.118 53.050 -0.341 0.000 0.905 727 N CB 1.026 39.435 38.487 -0.131 0.000 1.128 727 N HN 0.774 nan 8.380 nan 0.000 0.512 728 A N 2.643 125.095 122.820 -0.613 0.000 1.978 728 A HA -0.212 4.102 4.320 -0.010 0.000 0.220 728 A C 1.888 179.602 177.584 0.216 0.000 1.170 728 A CA 1.509 53.434 52.037 -0.188 0.000 0.636 728 A CB -0.420 18.386 19.000 -0.323 0.000 0.810 728 A HN 0.695 nan 8.150 nan 0.000 0.448 729 Q N 0.175 119.987 119.800 0.019 0.000 2.135 729 Q HA -0.223 4.111 4.340 -0.010 0.000 0.204 729 Q C 1.910 177.978 176.000 0.114 0.000 0.981 729 Q CA 2.231 58.071 55.803 0.062 0.000 0.856 729 Q CB -0.351 28.377 28.738 -0.017 0.000 0.902 729 Q HN 0.788 nan 8.270 nan 0.000 0.425 730 E N -1.404 118.800 120.200 0.007 0.000 2.085 730 E HA -0.240 4.104 4.350 -0.010 0.000 0.194 730 E C 1.510 178.033 176.600 -0.128 0.000 0.994 730 E CA 1.444 57.773 56.400 -0.118 0.000 0.801 730 E CB -0.205 29.319 29.700 -0.293 0.000 0.743 730 E HN 0.584 nan 8.360 nan 0.000 0.453 731 Y N -1.086 119.278 120.300 0.105 0.000 2.220 731 Y HA -0.184 4.360 4.550 -0.010 0.000 0.291 731 Y C 2.235 178.126 175.900 -0.015 0.000 1.129 731 Y CA 1.440 59.591 58.100 0.084 0.000 1.161 731 Y CB -0.744 37.822 38.460 0.177 0.000 0.997 731 Y HN 0.208 nan 8.280 nan 0.000 0.522 732 Y N 1.456 121.776 120.300 0.034 0.000 2.165 732 Y HA -0.291 4.253 4.550 -0.010 0.000 0.286 732 Y C 1.761 177.624 175.900 -0.061 0.000 1.155 732 Y CA 1.942 59.982 58.100 -0.100 0.000 1.164 732 Y CB -0.390 38.069 38.460 -0.001 0.000 0.978 732 Y HN 0.089 nan 8.280 nan 0.000 0.513 733 D N -0.455 120.032 120.400 0.144 0.000 2.269 733 D HA -0.068 4.566 4.640 -0.010 0.000 0.208 733 D C 1.874 178.148 176.300 -0.043 0.000 0.963 733 D CA 1.128 55.159 54.000 0.052 0.000 0.864 733 D CB -0.102 40.748 40.800 0.082 0.000 0.936 733 D HN 0.453 nan 8.370 nan 0.000 0.505 734 R N -0.502 119.971 120.500 -0.045 0.000 2.335 734 R HA 0.313 4.647 4.340 -0.010 0.000 0.210 734 R C 0.257 176.535 176.300 -0.037 0.000 0.892 734 R CA 0.083 56.159 56.100 -0.041 0.000 1.048 734 R CB 1.114 31.390 30.300 -0.040 0.000 1.067 734 R HN 0.086 nan 8.270 nan 0.000 0.524 735 I N 1.548 122.075 120.570 -0.072 0.000 2.464 735 I HA 0.236 4.400 4.170 -0.010 0.000 0.277 735 I C -2.026 173.998 176.117 -0.155 0.000 1.040 735 I CA -2.320 58.944 61.300 -0.060 0.000 1.153 735 I CB 1.980 39.982 38.000 0.003 0.000 1.274 735 I HN -0.272 nan 8.210 nan 0.000 0.469 736 P HA -0.193 nan 4.420 nan 0.000 0.216 736 P C 1.209 178.421 177.300 -0.147 0.000 1.153 736 P CA 1.501 64.515 63.100 -0.144 0.000 0.858 736 P CB 0.302 31.951 31.700 -0.085 0.000 0.789 737 E N -1.169 118.987 120.200 -0.074 0.000 2.153 737 E HA -0.163 4.181 4.350 -0.010 0.000 0.194 737 E C 1.873 178.397 176.600 -0.126 0.000 0.988 737 E CA 0.627 57.004 56.400 -0.037 0.000 0.811 737 E CB -0.580 29.169 29.700 0.082 0.000 0.746 737 E HN 0.109 nan 8.360 nan 0.000 0.466 738 L N 1.177 122.228 121.223 -0.285 0.000 2.027 738 L HA -0.125 4.209 4.340 -0.010 0.000 0.206 738 L C 2.337 178.946 176.870 -0.435 0.000 1.074 738 L CA 1.674 56.161 54.840 -0.588 0.000 0.745 738 L CB -0.336 41.207 42.059 -0.860 0.000 0.898 738 L HN -0.111 nan 8.230 nan 0.000 0.433 739 R N -0.804 119.406 120.500 -0.482 0.000 2.096 739 R HA -0.256 4.078 4.340 -0.010 0.000 0.240 739 R C 2.457 178.601 176.300 -0.260 0.000 1.139 739 R CA 2.125 57.859 56.100 -0.609 0.000 0.952 739 R CB -0.401 29.460 30.300 -0.731 0.000 0.854 739 R HN 0.613 nan 8.270 nan 0.000 0.436 740 Q N 0.220 119.905 119.800 -0.192 0.000 2.061 740 Q HA -0.201 4.133 4.340 -0.010 0.000 0.204 740 Q C 2.057 178.025 176.000 -0.052 0.000 0.984 740 Q CA 2.075 57.812 55.803 -0.111 0.000 0.846 740 Q CB -0.100 28.575 28.738 -0.105 0.000 0.902 740 Q HN 0.473 nan 8.270 nan 0.000 0.421 741 I N 0.549 121.093 120.570 -0.043 0.000 2.202 741 I HA -0.283 3.881 4.170 -0.010 0.000 0.242 741 I C 2.110 178.288 176.117 0.102 0.000 1.091 741 I CA 0.584 61.912 61.300 0.047 0.000 1.368 741 I CB -0.268 37.735 38.000 0.004 0.000 1.058 741 I HN 0.278 nan 8.210 nan 0.000 0.410 742 I N 0.553 121.171 120.570 0.079 0.000 2.226 742 I HA -0.221 3.943 4.170 -0.010 0.000 0.245 742 I C 2.538 178.776 176.117 0.202 0.000 1.100 742 I CA 1.513 62.926 61.300 0.188 0.000 1.374 742 I CB -1.361 36.828 38.000 0.315 0.000 1.057 742 I HN 0.275 nan 8.210 nan 0.000 0.413 743 E N 0.624 120.923 120.200 0.164 0.000 2.106 743 E HA -0.188 4.156 4.350 -0.010 0.000 0.192 743 E C 2.171 178.846 176.600 0.124 0.000 0.984 743 E CA 0.819 57.301 56.400 0.137 0.000 0.806 743 E CB -0.257 29.495 29.700 0.087 0.000 0.750 743 E HN 0.579 nan 8.360 nan 0.000 0.458 744 Q N 0.195 120.062 119.800 0.110 0.000 2.050 744 Q HA -0.087 4.247 4.340 -0.010 0.000 0.202 744 Q C 2.433 178.641 176.000 0.346 0.000 0.980 744 Q CA 1.046 56.942 55.803 0.155 0.000 0.840 744 Q CB -0.138 28.668 28.738 0.113 0.000 0.898 744 Q HN 0.251 nan 8.270 nan 0.000 0.424 745 L N -0.160 121.281 121.223 0.363 0.000 2.046 745 L HA -0.178 4.156 4.340 -0.010 0.000 0.208 745 L C 2.431 179.500 176.870 0.332 0.000 1.077 745 L CA 0.955 56.026 54.840 0.385 0.000 0.747 745 L CB -0.322 41.888 42.059 0.252 0.000 0.896 745 L HN 0.125 nan 8.230 nan 0.000 0.432 746 S N -0.388 115.460 115.700 0.245 0.000 2.371 746 S HA -0.132 4.332 4.470 -0.010 0.000 0.224 746 S C 2.109 176.812 174.600 0.171 0.000 1.029 746 S CA 1.417 59.735 58.200 0.196 0.000 0.978 746 S CB -0.176 63.120 63.200 0.160 0.000 0.833 746 S HN 0.594 nan 8.310 nan 0.000 0.466 747 S N 0.465 116.266 115.700 0.169 0.000 2.522 747 S HA 0.314 4.778 4.470 -0.010 0.000 0.227 747 S C 1.447 176.132 174.600 0.143 0.000 0.986 747 S CA 0.690 58.972 58.200 0.136 0.000 0.929 747 S CB -0.085 63.185 63.200 0.117 0.000 0.769 747 S HN 0.809 nan 8.310 nan 0.000 0.529 748 G N 0.621 109.535 108.800 0.191 0.000 2.131 748 G HA2 -0.271 3.683 3.960 -0.010 0.000 0.201 748 G HA3 -0.271 3.683 3.960 -0.010 0.000 0.201 748 G C 0.164 175.152 174.900 0.147 0.000 1.000 748 G CA 0.073 45.272 45.100 0.165 0.000 0.680 748 G HN 0.520 nan 8.290 nan 0.000 0.514 749 F N 0.170 120.121 119.950 0.002 0.000 2.216 749 F HA 0.194 4.715 4.527 -0.010 0.000 0.300 749 F C 1.799 177.403 175.800 -0.327 0.000 1.085 749 F CA 1.800 59.680 58.000 -0.201 0.000 1.326 749 F CB -0.001 38.802 39.000 -0.329 0.000 1.027 749 F HN 0.167 nan 8.300 nan 0.000 0.497 750 F N -0.159 119.850 119.950 0.100 0.000 2.664 750 F HA 0.204 4.726 4.527 -0.010 0.000 0.303 750 F C 0.634 176.514 175.800 0.134 0.000 1.092 750 F CA 0.186 58.205 58.000 0.033 0.000 1.305 750 F CB -0.042 39.018 39.000 0.100 0.000 1.054 750 F HN -0.005 nan 8.300 nan 0.000 0.565 751 S N -1.397 114.412 115.700 0.183 0.000 2.680 751 S HA 0.232 4.696 4.470 -0.010 0.000 0.153 751 S C -2.247 172.352 174.600 -0.001 0.000 1.224 751 S CA -0.829 57.406 58.200 0.059 0.000 1.197 751 S CB 0.551 63.714 63.200 -0.061 0.000 1.634 751 S HN -0.119 nan 8.310 nan 0.000 0.422 752 P HA -0.087 nan 4.420 nan 0.000 0.218 752 P C 0.914 178.200 177.300 -0.022 0.000 1.149 752 P CA 1.141 64.219 63.100 -0.036 0.000 0.817 752 P CB 0.073 31.728 31.700 -0.074 0.000 0.785 753 K N -0.891 119.493 120.400 -0.026 0.000 2.366 753 K HA -0.001 4.313 4.320 -0.010 0.000 0.198 753 K C 1.415 178.006 176.600 -0.015 0.000 1.044 753 K CA 0.515 56.791 56.287 -0.018 0.000 0.973 753 K CB 0.136 32.625 32.500 -0.017 0.000 0.767 753 K HN 0.147 nan 8.250 nan 0.000 0.475 754 Q N 0.072 119.857 119.800 -0.024 0.000 3.429 754 Q HA 0.148 4.482 4.340 -0.010 0.000 0.237 754 Q C -2.415 173.563 176.000 -0.037 0.000 0.932 754 Q CA -1.798 53.987 55.803 -0.031 0.000 0.731 754 Q CB 1.185 29.898 28.738 -0.042 0.000 1.383 754 Q HN -0.119 nan 8.270 nan 0.000 0.446 755 P HA -0.187 nan 4.420 nan 0.000 0.217 755 P C 0.518 177.839 177.300 0.035 0.000 1.148 755 P CA 1.417 64.533 63.100 0.027 0.000 0.828 755 P CB 0.210 31.932 31.700 0.037 0.000 0.783 756 D N -1.236 119.172 120.400 0.013 0.000 2.328 756 D HA -0.028 4.606 4.640 -0.010 0.000 0.221 756 D C 1.630 177.921 176.300 -0.016 0.000 1.072 756 D CA -0.148 53.868 54.000 0.027 0.000 0.850 756 D CB -0.811 40.009 40.800 0.033 0.000 0.922 756 D HN 0.022 nan 8.370 nan 0.000 0.516 757 L N -0.095 121.046 121.223 -0.136 0.000 2.043 757 L HA -0.077 4.257 4.340 -0.010 0.000 0.212 757 L C 1.219 177.881 176.870 -0.348 0.000 1.075 757 L CA 1.685 56.327 54.840 -0.330 0.000 0.752 757 L CB -0.642 41.024 42.059 -0.655 0.000 0.891 757 L HN 0.011 nan 8.230 nan 0.000 0.432 758 F N -0.643 119.364 119.950 0.094 0.000 2.639 758 F HA 0.130 4.651 4.527 -0.010 0.000 0.300 758 F C 1.873 177.731 175.800 0.095 0.000 1.109 758 F CA -0.128 57.919 58.000 0.079 0.000 1.335 758 F CB -0.282 38.756 39.000 0.063 0.000 1.014 758 F HN 0.107 nan 8.300 nan 0.000 0.537 759 K N -0.201 120.322 120.400 0.205 0.000 2.103 759 K HA -0.196 4.118 4.320 -0.010 0.000 0.207 759 K C 0.901 177.611 176.600 0.183 0.000 1.048 759 K CA 2.036 58.428 56.287 0.174 0.000 0.930 759 K CB -0.255 32.321 32.500 0.126 0.000 0.716 759 K HN 0.099 nan 8.250 nan 0.000 0.444 760 D N 1.304 121.823 120.400 0.198 0.000 2.117 760 D HA -0.065 4.569 4.640 -0.010 0.000 0.198 760 D C 2.097 178.512 176.300 0.191 0.000 0.982 760 D CA 1.106 55.230 54.000 0.206 0.000 0.828 760 D CB -0.145 40.816 40.800 0.268 0.000 0.967 760 D HN 0.300 nan 8.370 nan 0.000 0.464 761 I N 0.623 121.307 120.570 0.190 0.000 2.179 761 I HA -0.235 3.929 4.170 -0.010 0.000 0.242 761 I C 2.454 178.645 176.117 0.123 0.000 1.088 761 I CA 0.702 62.084 61.300 0.136 0.000 1.357 761 I CB -0.279 37.785 38.000 0.107 0.000 1.051 761 I HN -0.113 nan 8.210 nan 0.000 0.409 762 V N 1.208 121.214 119.914 0.154 0.000 2.295 762 V HA -0.309 3.805 4.120 -0.010 0.000 0.246 762 V C 2.265 178.419 176.094 0.100 0.000 1.049 762 V CA 2.428 64.809 62.300 0.135 0.000 1.024 762 V CB -0.989 30.931 31.823 0.162 0.000 0.648 762 V HN 0.488 nan 8.190 nan 0.000 0.447 763 N N -0.089 118.704 118.700 0.156 0.000 2.104 763 N HA -0.218 4.516 4.740 -0.010 0.000 0.190 763 N C 1.844 177.486 175.510 0.219 0.000 1.024 763 N CA 1.901 55.088 53.050 0.229 0.000 0.853 763 N CB -0.301 38.343 38.487 0.260 0.000 1.008 763 N HN 0.341 nan 8.380 nan 0.000 0.424 764 M N 0.206 119.921 119.600 0.191 0.000 2.086 764 M HA -0.092 4.382 4.480 -0.010 0.000 0.261 764 M C 1.783 178.099 176.300 0.027 0.000 1.067 764 M CA 1.332 56.742 55.300 0.183 0.000 1.116 764 M CB -0.701 31.998 32.600 0.166 0.000 1.348 764 M HN 0.279 nan 8.290 nan 0.000 0.407 765 L N -0.128 121.053 121.223 -0.069 0.000 2.046 765 L HA -0.266 4.068 4.340 -0.010 0.000 0.208 765 L C 2.595 179.150 176.870 -0.525 0.000 1.077 765 L CA 1.074 55.721 54.840 -0.322 0.000 0.747 765 L CB -0.616 41.276 42.059 -0.278 0.000 0.896 765 L HN 0.321 nan 8.230 nan 0.000 0.432 766 M N -1.514 117.853 119.600 -0.387 0.000 2.288 766 M HA -0.087 4.387 4.480 -0.010 0.000 0.266 766 M C 1.793 177.629 176.300 -0.773 0.000 1.072 766 M CA 1.685 56.626 55.300 -0.598 0.000 1.132 766 M CB -0.728 31.423 32.600 -0.749 0.000 1.386 766 M HN 0.339 nan 8.290 nan 0.000 0.432 767 H N -2.960 115.967 119.070 -0.239 0.000 3.400 767 H HA 0.239 4.789 4.556 -0.010 0.000 0.251 767 H C 0.166 175.100 175.328 -0.658 0.000 1.040 767 H CA 0.395 56.158 56.048 -0.476 0.000 1.175 767 H CB 0.431 29.818 29.762 -0.624 0.000 1.487 767 H HN 0.498 nan 8.280 nan 0.000 0.505 768 H N 0.168 119.295 119.070 0.094 0.000 2.767 768 H HA 0.145 4.695 4.556 -0.010 0.000 0.235 768 H C -0.728 174.628 175.328 0.046 0.000 1.256 768 H CA -0.311 55.783 56.048 0.077 0.000 0.957 768 H CB 0.922 30.735 29.762 0.085 0.000 2.117 768 H HN -0.015 nan 8.280 nan 0.000 0.602 769 D N 1.013 121.474 120.400 0.101 0.000 2.411 769 D HA 0.110 4.744 4.640 -0.010 0.000 0.225 769 D C 0.974 177.224 176.300 -0.083 0.000 1.156 769 D CA -0.277 53.749 54.000 0.045 0.000 0.874 769 D CB 0.625 41.432 40.800 0.012 0.000 1.034 769 D HN 0.300 nan 8.370 nan 0.000 0.502 770 R N 2.281 122.630 120.500 -0.252 0.000 2.237 770 R HA -0.033 4.301 4.340 -0.010 0.000 0.219 770 R C 0.552 176.343 176.300 -0.848 0.000 1.080 770 R CA 0.872 56.593 56.100 -0.630 0.000 0.995 770 R CB 0.120 29.818 30.300 -1.004 0.000 0.875 770 R HN 0.412 nan 8.270 nan 0.000 0.462 771 F N 0.106 120.000 119.950 -0.093 0.000 2.688 771 F HA 0.280 4.801 4.527 -0.010 0.000 0.310 771 F C 0.059 175.728 175.800 -0.219 0.000 1.098 771 F CA -0.701 57.235 58.000 -0.107 0.000 1.228 771 F CB 0.290 39.290 39.000 0.000 0.000 1.042 771 F HN -0.257 nan 8.300 nan 0.000 0.557 772 K N -0.285 119.905 120.400 -0.351 0.000 3.148 772 K HA -0.177 4.137 4.320 -0.010 0.000 0.267 772 K C 1.000 177.474 176.600 -0.210 0.000 0.996 772 K CA 0.203 56.088 56.287 -0.670 0.000 0.737 772 K CB -1.836 30.214 32.500 -0.750 0.000 1.308 772 K HN 0.209 nan 8.250 nan 0.000 0.470 773 V N -0.001 119.881 119.914 -0.055 0.000 2.282 773 V HA -0.298 3.817 4.120 -0.010 0.000 0.249 773 V C 1.942 178.186 176.094 0.250 0.000 1.057 773 V CA 2.374 64.728 62.300 0.090 0.000 1.032 773 V CB -0.491 31.394 31.823 0.103 0.000 0.645 773 V HN 0.491 nan 8.190 nan 0.000 0.447 774 F N 0.199 120.164 119.950 0.025 0.000 2.161 774 F HA -0.216 4.304 4.527 -0.010 0.000 0.300 774 F C 2.491 178.104 175.800 -0.311 0.000 1.089 774 F CA 0.696 58.663 58.000 -0.055 0.000 1.282 774 F CB -0.356 38.635 39.000 -0.015 0.000 1.010 774 F HN 0.207 nan 8.300 nan 0.000 0.485 775 A N -0.697 121.958 122.820 -0.275 0.000 2.067 775 A HA -0.175 4.139 4.320 -0.010 0.000 0.219 775 A C 1.368 178.940 177.584 -0.020 0.000 1.158 775 A CA 1.736 53.502 52.037 -0.451 0.000 0.661 775 A CB -0.396 18.477 19.000 -0.211 0.000 0.801 775 A HN 0.225 nan 8.150 nan 0.000 0.452 776 D N -2.858 117.597 120.400 0.091 0.000 2.398 776 D HA 0.102 4.736 4.640 -0.010 0.000 0.210 776 D C 1.084 177.553 176.300 0.281 0.000 1.094 776 D CA -0.111 54.017 54.000 0.214 0.000 0.839 776 D CB -0.113 40.823 40.800 0.228 0.000 0.963 776 D HN 0.577 nan 8.370 nan 0.000 0.506 777 Y N 2.076 122.464 120.300 0.146 0.000 2.097 777 Y HA -0.211 4.333 4.550 -0.009 0.000 0.282 777 Y C 2.017 178.003 175.900 0.143 0.000 1.152 777 Y CA 1.871 60.066 58.100 0.160 0.000 1.136 777 Y CB 0.265 38.786 38.460 0.102 0.000 0.975 777 Y HN -0.099 nan 8.280 nan 0.000 0.498 778 E N -0.067 120.202 120.200 0.115 0.000 2.051 778 E HA -0.216 4.128 4.350 -0.010 0.000 0.192 778 E C 2.146 178.722 176.600 -0.040 0.000 0.991 778 E CA 1.416 57.812 56.400 -0.008 0.000 0.799 778 E CB -0.171 29.617 29.700 0.146 0.000 0.748 778 E HN 0.628 nan 8.360 nan 0.000 0.449 779 E N 0.065 120.315 120.200 0.084 0.000 2.110 779 E HA -0.198 4.146 4.350 -0.010 0.000 0.193 779 E C 1.960 178.564 176.600 0.008 0.000 0.988 779 E CA 0.765 57.236 56.400 0.120 0.000 0.804 779 E CB -0.164 29.695 29.700 0.264 0.000 0.745 779 E HN 0.262 nan 8.360 nan 0.000 0.458 780 Y N 1.553 121.688 120.300 -0.276 0.000 2.145 780 Y HA -0.236 4.308 4.550 -0.010 0.000 0.286 780 Y C 2.210 177.723 175.900 -0.645 0.000 1.145 780 Y CA 0.997 58.618 58.100 -0.799 0.000 1.148 780 Y CB -0.546 37.514 38.460 -0.666 0.000 0.981 780 Y HN -0.212 nan 8.280 nan 0.000 0.507 781 V N 0.538 120.107 119.914 -0.576 0.000 2.343 781 V HA -0.321 3.793 4.120 -0.010 0.000 0.247 781 V C 2.289 178.157 176.094 -0.376 0.000 1.051 781 V CA 2.382 64.353 62.300 -0.549 0.000 1.036 781 V CB -0.596 30.932 31.823 -0.491 0.000 0.654 781 V HN 0.312 nan 8.190 nan 0.000 0.451 782 K N -0.922 119.327 120.400 -0.253 0.000 2.057 782 K HA -0.197 4.117 4.320 -0.010 0.000 0.207 782 K C 2.288 178.811 176.600 -0.129 0.000 1.049 782 K CA 1.666 57.871 56.287 -0.137 0.000 0.931 782 K CB -0.595 31.870 32.500 -0.057 0.000 0.714 782 K HN 0.518 nan 8.250 nan 0.000 0.440 783 C N 1.397 120.594 119.300 -0.172 0.000 2.429 783 C HA -0.097 4.357 4.460 -0.010 0.000 0.277 783 C C 2.630 177.475 174.990 -0.241 0.000 1.262 783 C CA 0.823 59.778 59.018 -0.106 0.000 1.733 783 C CB -0.624 27.062 27.740 -0.090 0.000 2.010 783 C HN 0.435 nan 8.230 nan 0.000 0.483 784 Q N 0.440 119.937 119.800 -0.505 0.000 2.170 784 Q HA -0.171 4.163 4.340 -0.010 0.000 0.203 784 Q C 1.986 177.810 176.000 -0.295 0.000 0.976 784 Q CA 1.608 57.071 55.803 -0.567 0.000 0.858 784 Q CB -0.406 27.720 28.738 -1.020 0.000 0.907 784 Q HN 0.758 nan 8.270 nan 0.000 0.433 785 E N 0.263 120.346 120.200 -0.195 0.000 2.077 785 E HA -0.159 4.185 4.350 -0.010 0.000 0.193 785 E C 2.081 178.662 176.600 -0.031 0.000 0.989 785 E CA 0.749 57.095 56.400 -0.090 0.000 0.800 785 E CB -0.037 29.626 29.700 -0.062 0.000 0.746 785 E HN 0.275 nan 8.360 nan 0.000 0.452 786 R N 0.441 120.945 120.500 0.006 0.000 2.115 786 R HA -0.074 4.260 4.340 -0.010 0.000 0.230 786 R C 2.439 178.845 176.300 0.178 0.000 1.111 786 R CA 0.859 57.049 56.100 0.150 0.000 0.976 786 R CB -0.346 30.109 30.300 0.258 0.000 0.870 786 R HN 0.065 nan 8.270 nan 0.000 0.445 787 V N 0.807 120.606 119.914 -0.192 0.000 2.255 787 V HA -0.276 3.838 4.120 -0.010 0.000 0.247 787 V C 2.244 178.339 176.094 0.002 0.000 1.051 787 V CA 2.106 64.137 62.300 -0.448 0.000 1.018 787 V CB -0.491 30.933 31.823 -0.665 0.000 0.641 787 V HN 0.284 nan 8.190 nan 0.000 0.445 788 S N -0.014 115.654 115.700 -0.054 0.000 2.370 788 S HA -0.195 4.270 4.470 -0.010 0.000 0.226 788 S C 2.222 176.890 174.600 0.112 0.000 1.033 788 S CA 1.455 59.651 58.200 -0.007 0.000 1.011 788 S CB -0.572 62.591 63.200 -0.061 0.000 0.852 788 S HN 0.662 nan 8.310 nan 0.000 0.457 789 A N 1.213 124.106 122.820 0.122 0.000 1.883 789 A HA -0.098 4.216 4.320 -0.010 0.000 0.217 789 A C 2.130 179.842 177.584 0.214 0.000 1.186 789 A CA 1.551 53.680 52.037 0.153 0.000 0.624 789 A CB -0.730 18.351 19.000 0.133 0.000 0.822 789 A HN 0.427 nan 8.150 nan 0.000 0.444 790 L N -2.121 119.294 121.223 0.320 0.000 2.093 790 L HA -0.063 4.272 4.340 -0.010 0.000 0.208 790 L C 2.241 179.397 176.870 0.476 0.000 1.085 790 L CA 1.871 56.966 54.840 0.425 0.000 0.755 790 L CB -0.750 41.660 42.059 0.585 0.000 0.904 790 L HN 0.499 nan 8.230 nan 0.000 0.435 791 Y N 0.323 120.774 120.300 0.252 0.000 2.333 791 Y HA -0.227 4.318 4.550 -0.008 0.000 0.290 791 Y C 2.278 178.129 175.900 -0.082 0.000 1.144 791 Y CA 1.603 59.600 58.100 -0.171 0.000 1.228 791 Y CB -0.068 38.067 38.460 -0.541 0.000 0.985 791 Y HN 0.174 nan 8.280 nan 0.000 0.542 792 K N -0.169 120.312 120.400 0.135 0.000 2.360 792 K HA -0.155 4.159 4.320 -0.010 0.000 0.201 792 K C 0.383 176.992 176.600 0.015 0.000 1.046 792 K CA 0.796 57.139 56.287 0.092 0.000 0.945 792 K CB -0.139 32.444 32.500 0.140 0.000 0.750 792 K HN 0.086 nan 8.250 nan 0.000 0.464 793 N N 0.571 119.290 118.700 0.031 0.000 2.816 793 N HA 0.125 4.859 4.740 -0.010 0.000 0.236 793 N C -2.422 173.093 175.510 0.008 0.000 1.076 793 N CA -2.124 50.942 53.050 0.026 0.000 0.902 793 N CB 1.282 39.813 38.487 0.073 0.000 1.149 793 N HN -0.194 nan 8.380 nan 0.000 0.506 794 P HA -0.162 nan 4.420 nan 0.000 0.216 794 P C 1.416 178.719 177.300 0.004 0.000 1.153 794 P CA 1.130 64.157 63.100 -0.121 0.000 0.858 794 P CB 0.405 32.011 31.700 -0.156 0.000 0.789 795 R N 0.143 120.648 120.500 0.007 0.000 2.083 795 R HA -0.179 4.155 4.340 -0.010 0.000 0.237 795 R C 1.974 178.308 176.300 0.056 0.000 1.137 795 R CA 1.611 57.726 56.100 0.026 0.000 0.951 795 R CB -0.469 29.840 30.300 0.016 0.000 0.851 795 R HN 0.060 nan 8.270 nan 0.000 0.434 796 E N -0.080 120.164 120.200 0.073 0.000 2.152 796 E HA -0.207 4.138 4.350 -0.010 0.000 0.192 796 E C 1.566 178.230 176.600 0.108 0.000 0.983 796 E CA 0.615 57.060 56.400 0.076 0.000 0.818 796 E CB -0.453 29.291 29.700 0.073 0.000 0.758 796 E HN 0.521 nan 8.360 nan 0.000 0.467 797 W N 2.136 123.421 121.300 -0.025 0.000 2.333 797 W HA -0.207 4.447 4.660 -0.011 0.000 0.316 797 W C 1.652 178.158 176.519 -0.022 0.000 1.215 797 W CA 2.199 59.536 57.345 -0.013 0.000 1.278 797 W CB -0.468 28.939 29.460 -0.088 0.000 1.154 797 W HN 0.042 nan 8.180 nan 0.000 0.486 798 T N 1.110 115.782 114.554 0.198 0.000 2.788 798 T HA -0.180 4.164 4.350 -0.010 0.000 0.268 798 T C 1.864 176.561 174.700 -0.004 0.000 1.044 798 T CA 1.688 63.838 62.100 0.083 0.000 1.139 798 T CB -0.306 68.596 68.868 0.056 0.000 0.867 798 T HN 0.180 nan 8.240 nan 0.000 0.454 799 R N 0.385 120.889 120.500 0.007 0.000 2.075 799 R HA 0.092 4.426 4.340 -0.010 0.000 0.232 799 R C 2.520 178.800 176.300 -0.033 0.000 1.126 799 R CA 1.207 57.312 56.100 0.008 0.000 0.963 799 R CB -0.341 29.972 30.300 0.021 0.000 0.858 799 R HN 0.369 nan 8.270 nan 0.000 0.435 800 M N 0.559 120.100 119.600 -0.099 0.000 2.175 800 M HA -0.139 4.335 4.480 -0.010 0.000 0.264 800 M C 1.932 178.116 176.300 -0.194 0.000 1.063 800 M CA 1.347 56.547 55.300 -0.166 0.000 1.119 800 M CB 0.168 32.612 32.600 -0.260 0.000 1.377 800 M HN -0.022 nan 8.290 nan 0.000 0.415 801 V N 1.002 120.779 119.914 -0.229 0.000 2.255 801 V HA -0.327 3.787 4.120 -0.010 0.000 0.247 801 V C 2.233 178.292 176.094 -0.059 0.000 1.051 801 V CA 2.150 64.347 62.300 -0.171 0.000 1.018 801 V CB -0.644 31.105 31.823 -0.123 0.000 0.641 801 V HN 0.516 nan 8.190 nan 0.000 0.445 802 I N -0.461 120.103 120.570 -0.010 0.000 2.194 802 I HA -0.310 3.855 4.170 -0.010 0.000 0.246 802 I C 2.696 178.861 176.117 0.080 0.000 1.093 802 I CA 1.737 63.089 61.300 0.086 0.000 1.355 802 I CB -0.449 37.655 38.000 0.174 0.000 1.046 802 I HN 0.236 nan 8.210 nan 0.000 0.413 803 R N 0.387 120.907 120.500 0.034 0.000 2.152 803 R HA -0.108 4.226 4.340 -0.010 0.000 0.232 803 R C 2.010 178.340 176.300 0.052 0.000 1.117 803 R CA 1.106 57.228 56.100 0.037 0.000 0.981 803 R CB -0.377 29.928 30.300 0.009 0.000 0.870 803 R HN 0.544 nan 8.270 nan 0.000 0.451 804 N N 0.581 119.292 118.700 0.017 0.000 2.132 804 N HA -0.049 4.685 4.740 -0.010 0.000 0.187 804 N C 1.959 177.520 175.510 0.086 0.000 1.038 804 N CA 0.994 54.071 53.050 0.045 0.000 0.846 804 N CB -0.010 38.430 38.487 -0.080 0.000 1.012 804 N HN 0.079 nan 8.380 nan 0.000 0.429 805 I N 1.861 122.468 120.570 0.061 0.000 2.151 805 I HA -0.287 3.877 4.170 -0.010 0.000 0.243 805 I C 2.449 178.620 176.117 0.092 0.000 1.080 805 I CA 1.201 62.548 61.300 0.079 0.000 1.339 805 I CB -0.369 37.673 38.000 0.070 0.000 1.039 805 I HN 0.113 nan 8.210 nan 0.000 0.409 806 A N 0.126 123.002 122.820 0.092 0.000 2.070 806 A HA -0.166 4.148 4.320 -0.010 0.000 0.220 806 A C 2.030 179.661 177.584 0.079 0.000 1.159 806 A CA 2.068 54.152 52.037 0.078 0.000 0.656 806 A CB -0.854 18.194 19.000 0.081 0.000 0.800 806 A HN 0.563 nan 8.150 nan 0.000 0.453 807 T N -3.185 111.435 114.554 0.110 0.000 3.182 807 T HA 0.202 4.546 4.350 -0.010 0.000 0.277 807 T C 1.104 175.925 174.700 0.202 0.000 1.013 807 T CA 0.601 62.777 62.100 0.127 0.000 0.900 807 T CB -0.179 68.769 68.868 0.132 0.000 1.098 807 T HN 0.472 nan 8.240 nan 0.000 0.543 808 S N 0.118 115.946 115.700 0.214 0.000 2.558 808 S HA 0.236 4.700 4.470 -0.010 0.000 0.217 808 S C 2.208 176.970 174.600 0.271 0.000 0.975 808 S CA 0.318 58.718 58.200 0.334 0.000 0.912 808 S CB -0.641 62.710 63.200 0.252 0.000 0.776 808 S HN 0.528 nan 8.310 nan 0.000 0.526 809 G N 2.680 111.553 108.800 0.122 0.000 2.469 809 G HA2 -0.294 3.660 3.960 -0.010 0.000 0.219 809 G HA3 -0.294 3.660 3.960 -0.010 0.000 0.219 809 G C 1.322 176.190 174.900 -0.053 0.000 1.150 809 G CA 1.053 46.184 45.100 0.052 0.000 0.763 809 G HN 0.610 nan 8.290 nan 0.000 0.561 810 K N -0.178 120.078 120.400 -0.240 0.000 2.218 810 K HA -0.087 4.227 4.320 -0.010 0.000 0.205 810 K C 1.354 177.621 176.600 -0.554 0.000 1.046 810 K CA 1.041 57.019 56.287 -0.516 0.000 0.933 810 K CB -0.286 31.687 32.500 -0.878 0.000 0.728 810 K HN 0.418 nan 8.250 nan 0.000 0.454 811 F N 0.736 120.722 119.950 0.060 0.000 2.664 811 F HA 0.157 4.678 4.527 -0.011 0.000 0.301 811 F C 0.792 176.643 175.800 0.085 0.000 1.126 811 F CA -0.575 57.467 58.000 0.069 0.000 1.373 811 F CB 0.375 39.413 39.000 0.063 0.000 1.042 811 F HN -0.130 nan 8.300 nan 0.000 0.535 812 S N 0.502 116.291 115.700 0.149 0.000 2.533 812 S HA 0.028 4.492 4.470 -0.010 0.000 0.282 812 S C 1.523 176.210 174.600 0.144 0.000 1.304 812 S CA -0.028 58.255 58.200 0.138 0.000 1.063 812 S CB 0.695 63.948 63.200 0.088 0.000 0.881 812 S HN 0.394 nan 8.310 nan 0.000 0.493 813 S N 3.329 119.141 115.700 0.187 0.000 2.507 813 S HA -0.090 4.374 4.470 -0.010 0.000 0.235 813 S C 1.004 175.674 174.600 0.116 0.000 0.988 813 S CA 0.822 59.158 58.200 0.226 0.000 0.944 813 S CB -0.355 63.049 63.200 0.339 0.000 0.762 813 S HN 0.792 nan 8.310 nan 0.000 0.526 814 D N 1.963 122.410 120.400 0.079 0.000 2.117 814 D HA -0.100 4.534 4.640 -0.010 0.000 0.197 814 D C 2.106 178.415 176.300 0.015 0.000 0.987 814 D CA 0.879 54.901 54.000 0.037 0.000 0.829 814 D CB -0.359 40.459 40.800 0.031 0.000 0.961 814 D HN 0.304 nan 8.370 nan 0.000 0.460 815 R N 0.755 121.265 120.500 0.017 0.000 2.073 815 R HA -0.093 4.241 4.340 -0.010 0.000 0.234 815 R C 1.925 178.215 176.300 -0.015 0.000 1.134 815 R CA 1.456 57.549 56.100 -0.012 0.000 0.952 815 R CB -0.800 29.478 30.300 -0.036 0.000 0.850 815 R HN 0.140 nan 8.270 nan 0.000 0.433 816 T N 2.237 116.807 114.554 0.026 0.000 2.652 816 T HA -0.134 4.210 4.350 -0.010 0.000 0.267 816 T C 1.942 176.637 174.700 -0.008 0.000 1.039 816 T CA 1.445 63.577 62.100 0.053 0.000 1.153 816 T CB -0.151 68.840 68.868 0.205 0.000 0.863 816 T HN 0.104 nan 8.240 nan 0.000 0.428 817 I N 1.698 122.194 120.570 -0.123 0.000 2.286 817 I HA -0.100 4.064 4.170 -0.010 0.000 0.248 817 I C 2.927 178.995 176.117 -0.082 0.000 1.115 817 I CA 0.975 62.163 61.300 -0.186 0.000 1.392 817 I CB -1.649 36.246 38.000 -0.175 0.000 1.065 817 I HN 0.200 nan 8.210 nan 0.000 0.418 818 A N 0.114 122.907 122.820 -0.045 0.000 1.940 818 A HA -0.245 4.069 4.320 -0.010 0.000 0.219 818 A C 2.265 179.803 177.584 -0.077 0.000 1.176 818 A CA 1.488 53.506 52.037 -0.032 0.000 0.631 818 A CB -0.564 18.424 19.000 -0.020 0.000 0.814 818 A HN 0.504 nan 8.150 nan 0.000 0.446 819 Q N -1.816 117.916 119.800 -0.114 0.000 2.046 819 Q HA -0.180 4.154 4.340 -0.010 0.000 0.200 819 Q C 1.970 177.784 176.000 -0.311 0.000 0.975 819 Q CA 1.712 57.404 55.803 -0.185 0.000 0.836 819 Q CB -0.320 28.298 28.738 -0.199 0.000 0.896 819 Q HN 0.816 nan 8.270 nan 0.000 0.428 820 Y N 0.527 120.525 120.300 -0.503 0.000 2.114 820 Y HA -0.318 4.226 4.550 -0.010 0.000 0.282 820 Y C 2.451 177.756 175.900 -0.992 0.000 1.165 820 Y CA 1.396 58.927 58.100 -0.947 0.000 1.148 820 Y CB -0.483 37.093 38.460 -1.474 0.000 0.972 820 Y HN 0.176 nan 8.280 nan 0.000 0.504 821 A N 0.192 122.782 122.820 -0.383 0.000 1.865 821 A HA -0.223 4.091 4.320 -0.010 0.000 0.217 821 A C 2.240 179.844 177.584 0.033 0.000 1.191 821 A CA 2.066 54.140 52.037 0.062 0.000 0.623 821 A CB -0.568 18.539 19.000 0.177 0.000 0.826 821 A HN 0.438 nan 8.150 nan 0.000 0.444 822 R N -0.747 119.729 120.500 -0.041 0.000 2.093 822 R HA -0.014 4.320 4.340 -0.010 0.000 0.224 822 R C 1.865 178.142 176.300 -0.039 0.000 1.101 822 R CA 1.442 57.530 56.100 -0.020 0.000 0.979 822 R CB -0.153 30.129 30.300 -0.030 0.000 0.877 822 R HN 0.651 nan 8.270 nan 0.000 0.441 823 E N -0.500 119.634 120.200 -0.109 0.000 2.364 823 E HA 0.091 4.435 4.350 -0.010 0.000 0.196 823 E C 1.398 177.947 176.600 -0.084 0.000 0.990 823 E CA 0.484 56.822 56.400 -0.104 0.000 0.886 823 E CB 0.544 30.150 29.700 -0.156 0.000 0.866 823 E HN 0.282 nan 8.360 nan 0.000 0.493 824 I N -1.253 119.238 120.570 -0.132 0.000 3.739 824 I HA 0.019 4.183 4.170 -0.010 0.000 0.272 824 I C 1.308 177.575 176.117 0.251 0.000 1.167 824 I CA -0.105 61.181 61.300 -0.023 0.000 1.386 824 I CB 0.217 38.065 38.000 -0.253 0.000 1.490 824 I HN 0.104 nan 8.210 nan 0.000 0.452 825 W N 1.569 122.964 121.300 0.158 0.000 2.658 825 W HA 0.292 4.946 4.660 -0.010 0.000 0.263 825 W C 1.563 178.122 176.519 0.068 0.000 1.274 825 W CA 0.911 58.334 57.345 0.129 0.000 1.343 825 W CB -1.147 28.378 29.460 0.109 0.000 1.106 825 W HN 0.336 nan 8.180 nan 0.000 0.615 826 G N 1.017 109.960 108.800 0.238 0.000 2.225 826 G HA2 -0.124 3.830 3.960 -0.010 0.000 0.264 826 G HA3 -0.124 3.830 3.960 -0.010 0.000 0.264 826 G C -0.265 174.710 174.900 0.125 0.000 1.060 826 G CA 0.249 45.429 45.100 0.133 0.000 0.833 826 G HN 0.421 nan 8.290 nan 0.000 0.498 827 V N -3.297 116.713 119.914 0.161 0.000 2.823 827 V HA 0.925 5.039 4.120 -0.010 0.000 0.312 827 V C -0.252 175.904 176.094 0.104 0.000 1.072 827 V CA -1.400 60.974 62.300 0.124 0.000 0.937 827 V CB 2.253 34.157 31.823 0.135 0.000 1.013 827 V HN 0.424 nan 8.190 nan 0.000 0.430 828 E N 5.130 125.373 120.200 0.073 0.000 2.115 828 E HA 0.591 4.935 4.350 -0.010 0.000 0.282 828 E C -2.400 174.238 176.600 0.063 0.000 0.987 828 E CA -2.057 54.379 56.400 0.059 0.000 0.797 828 E CB 1.272 30.997 29.700 0.043 0.000 1.086 828 E HN 0.780 nan 8.360 nan 0.000 0.397 829 P HA 0.116 nan 4.420 nan 0.000 0.270 829 P C -0.909 176.421 177.300 0.051 0.000 1.223 829 P CA -0.415 62.721 63.100 0.060 0.000 0.785 829 P CB 1.135 32.866 31.700 0.052 0.000 0.923 830 S N 0.820 116.551 115.700 0.053 0.000 2.603 830 S HA 0.285 4.749 4.470 -0.010 0.000 0.274 830 S C 0.363 174.989 174.600 0.044 0.000 1.168 830 S CA -0.723 57.506 58.200 0.048 0.000 0.963 830 S CB 0.745 63.979 63.200 0.057 0.000 1.078 830 S HN 0.225 nan 8.310 nan 0.000 0.477 831 R N 2.024 122.546 120.500 0.036 0.000 2.335 831 R HA 0.150 4.484 4.340 -0.010 0.000 0.223 831 R C 0.350 176.663 176.300 0.021 0.000 0.940 831 R CA -0.084 56.036 56.100 0.033 0.000 1.086 831 R CB -0.547 29.773 30.300 0.034 0.000 1.073 831 R HN 0.650 nan 8.270 nan 0.000 0.504 832 Q N 1.646 121.458 119.800 0.020 0.000 2.300 832 Q HA 0.002 4.336 4.340 -0.010 0.000 0.280 832 Q C -0.310 175.682 176.000 -0.013 0.000 1.033 832 Q CA 0.304 56.111 55.803 0.007 0.000 0.903 832 Q CB 0.460 29.207 28.738 0.016 0.000 1.195 832 Q HN -0.035 nan 8.270 nan 0.000 0.386 833 R N 3.306 123.791 120.500 -0.025 0.000 2.438 833 R HA 0.224 4.558 4.340 -0.010 0.000 0.287 833 R C -0.784 175.476 176.300 -0.067 0.000 1.077 833 R CA -0.537 55.535 56.100 -0.046 0.000 1.034 833 R CB 0.356 30.630 30.300 -0.044 0.000 0.993 833 R HN 0.557 nan 8.270 nan 0.000 0.459 834 L N 6.612 127.779 121.223 -0.094 0.000 2.395 834 L HA 0.355 4.689 4.340 -0.010 0.000 0.269 834 L C -1.778 175.040 176.870 -0.088 0.000 1.133 834 L CA -1.740 53.020 54.840 -0.133 0.000 0.812 834 L CB 0.625 42.571 42.059 -0.187 0.000 1.125 834 L HN 0.648 nan 8.230 nan 0.000 0.452 835 P HA 0.000 nan 4.420 nan 0.000 0.216 835 P CA 0.000 63.072 63.100 -0.046 0.000 0.800 835 P CB 0.000 31.679 31.700 -0.034 0.000 0.726