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 2qrq_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 NDXXXXXXXX DATA SEQUENCE XGYIQAVLDR 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 56.076 56.100 -0.040 0.000 0.921 10 R CB 0.000 30.265 30.300 -0.059 0.000 0.687 11 K N 1.201 121.560 120.400 -0.069 0.000 2.305 11 K HA 0.048 4.363 4.320 -0.007 0.000 0.199 11 K C 1.211 177.784 176.600 -0.045 0.000 1.047 11 K CA 1.333 57.581 56.287 -0.064 0.000 0.976 11 K CB 0.214 32.656 32.500 -0.097 0.000 0.765 11 K HN 0.442 nan 8.250 nan 0.000 0.474 12 Q N 0.206 119.981 119.800 -0.043 0.000 2.297 12 Q HA -0.089 4.247 4.340 -0.007 0.000 0.208 12 Q C 0.136 176.128 176.000 -0.014 0.000 0.981 12 Q CA 0.590 56.377 55.803 -0.028 0.000 0.876 12 Q CB -0.143 28.579 28.738 -0.026 0.000 0.921 12 Q HN 0.152 nan 8.270 nan 0.000 0.446 13 I N 1.447 122.010 120.570 -0.012 0.000 2.578 13 I HA -0.110 4.055 4.170 -0.007 0.000 0.286 13 I C 1.336 177.456 176.117 0.005 0.000 1.126 13 I CA 0.248 61.548 61.300 0.001 0.000 1.380 13 I CB 1.146 39.148 38.000 0.004 0.000 1.408 13 I HN 0.081 nan 8.210 nan 0.000 0.532 14 S N 5.030 120.738 115.700 0.014 0.000 2.406 14 S HA -0.125 4.341 4.470 -0.007 0.000 0.228 14 S C 1.781 176.395 174.600 0.023 0.000 1.020 14 S CA 0.763 58.973 58.200 0.016 0.000 0.965 14 S CB -0.608 62.605 63.200 0.021 0.000 0.798 14 S HN 0.611 nan 8.310 nan 0.000 0.488 15 V N -0.210 119.726 119.914 0.037 0.000 2.913 15 V HA 0.117 4.232 4.120 -0.007 0.000 0.260 15 V C 2.037 178.154 176.094 0.039 0.000 1.098 15 V CA 1.197 63.525 62.300 0.047 0.000 1.121 15 V CB -1.084 30.776 31.823 0.062 0.000 0.714 15 V HN 0.398 nan 8.190 nan 0.000 0.487 16 R N 1.117 121.629 120.500 0.020 0.000 2.310 16 R HA 0.436 4.772 4.340 -0.007 0.000 0.202 16 R C 1.180 177.475 176.300 -0.008 0.000 0.933 16 R CA 0.565 56.669 56.100 0.007 0.000 1.054 16 R CB 0.031 30.329 30.300 -0.002 0.000 0.985 16 R HN 0.778 nan 8.270 nan 0.000 0.489 17 G N 0.874 109.669 108.800 -0.009 0.000 2.627 17 G HA2 -0.237 3.718 3.960 -0.007 0.000 0.214 17 G HA3 -0.237 3.718 3.960 -0.007 0.000 0.214 17 G C -0.766 174.120 174.900 -0.023 0.000 1.331 17 G CA -0.962 44.124 45.100 -0.024 0.000 0.891 17 G HN 0.086 nan 8.290 nan 0.000 0.539 18 L N 0.069 121.275 121.223 -0.029 0.000 2.325 18 L HA 0.718 5.053 4.340 -0.007 0.000 0.278 18 L C 0.900 177.755 176.870 -0.024 0.000 1.023 18 L CA -0.440 54.386 54.840 -0.023 0.000 0.811 18 L CB 2.056 44.102 42.059 -0.021 0.000 1.249 18 L HN 1.186 nan 8.230 nan 0.000 0.431 19 A N 2.102 124.911 122.820 -0.019 0.000 3.095 19 A HA 0.539 4.854 4.320 -0.007 0.000 0.301 19 A C 0.603 178.183 177.584 -0.008 0.000 1.432 19 A CA -0.405 51.623 52.037 -0.015 0.000 1.140 19 A CB -0.544 18.447 19.000 -0.016 0.000 1.174 19 A HN 0.801 nan 8.150 nan 0.000 0.546 20 G N 0.330 109.127 108.800 -0.007 0.000 2.380 20 G HA2 0.331 4.286 3.960 -0.007 0.000 0.242 20 G HA3 0.331 4.286 3.960 -0.007 0.000 0.242 20 G C 1.190 176.094 174.900 0.007 0.000 1.298 20 G CA 0.174 45.274 45.100 0.000 0.000 0.878 20 G HN 1.287 nan 8.290 nan 0.000 0.542 21 V N 0.756 120.675 119.914 0.009 0.000 2.332 21 V HA -0.177 3.938 4.120 -0.007 0.000 0.248 21 V C 2.052 178.157 176.094 0.018 0.000 1.055 21 V CA 2.347 64.654 62.300 0.012 0.000 1.038 21 V CB -0.754 31.076 31.823 0.010 0.000 0.651 21 V HN 0.759 nan 8.190 nan 0.000 0.450 22 E N 0.602 120.814 120.200 0.019 0.000 2.107 22 E HA -0.172 4.173 4.350 -0.007 0.000 0.191 22 E C 2.184 178.806 176.600 0.038 0.000 0.982 22 E CA 1.188 57.603 56.400 0.026 0.000 0.809 22 E CB -0.265 29.449 29.700 0.024 0.000 0.756 22 E HN 0.675 nan 8.360 nan 0.000 0.459 23 N N 0.698 119.420 118.700 0.037 0.000 2.084 23 N HA -0.138 4.597 4.740 -0.007 0.000 0.190 23 N C 1.772 177.313 175.510 0.052 0.000 1.030 23 N CA 0.954 54.034 53.050 0.049 0.000 0.849 23 N CB -0.148 38.355 38.487 0.026 0.000 1.012 23 N HN -0.056 nan 8.380 nan 0.000 0.423 24 V N 0.201 120.135 119.914 0.033 0.000 2.343 24 V HA -0.218 3.898 4.120 -0.007 0.000 0.247 24 V C 2.177 178.294 176.094 0.038 0.000 1.051 24 V CA 2.094 64.412 62.300 0.030 0.000 1.036 24 V CB -1.048 30.786 31.823 0.019 0.000 0.654 24 V HN 0.408 nan 8.190 nan 0.000 0.451 25 T N -0.639 113.937 114.554 0.037 0.000 2.746 25 T HA -0.254 4.091 4.350 -0.007 0.000 0.267 25 T C 1.875 176.609 174.700 0.057 0.000 1.039 25 T CA 1.879 64.001 62.100 0.038 0.000 1.142 25 T CB -0.207 68.679 68.868 0.030 0.000 0.866 25 T HN 0.632 nan 8.240 nan 0.000 0.444 26 E N 0.552 120.794 120.200 0.069 0.000 2.051 26 E HA -0.091 4.255 4.350 -0.007 0.000 0.192 26 E C 2.179 178.856 176.600 0.129 0.000 0.991 26 E CA 0.800 57.254 56.400 0.090 0.000 0.799 26 E CB -0.200 29.559 29.700 0.097 0.000 0.748 26 E HN 0.420 nan 8.360 nan 0.000 0.449 27 L N 0.638 121.948 121.223 0.145 0.000 2.042 27 L HA -0.219 4.116 4.340 -0.007 0.000 0.210 27 L C 2.596 179.580 176.870 0.190 0.000 1.076 27 L CA 1.489 56.441 54.840 0.186 0.000 0.749 27 L CB -0.300 41.844 42.059 0.141 0.000 0.893 27 L HN 0.055 nan 8.230 nan 0.000 0.432 28 K N -0.050 120.419 120.400 0.115 0.000 2.057 28 K HA -0.231 4.085 4.320 -0.007 0.000 0.207 28 K C 2.176 178.878 176.600 0.170 0.000 1.049 28 K CA 1.381 57.724 56.287 0.095 0.000 0.931 28 K CB -0.136 32.376 32.500 0.020 0.000 0.714 28 K HN 0.174 nan 8.250 nan 0.000 0.440 29 K N 0.955 121.434 120.400 0.131 0.000 2.026 29 K HA -0.152 4.164 4.320 -0.007 0.000 0.208 29 K C 1.734 178.422 176.600 0.147 0.000 1.048 29 K CA 1.516 57.874 56.287 0.118 0.000 0.929 29 K CB 0.028 32.574 32.500 0.077 0.000 0.713 29 K HN 0.070 nan 8.250 nan 0.000 0.439 30 N N 0.224 119.023 118.700 0.165 0.000 2.270 30 N HA -0.138 4.597 4.740 -0.007 0.000 0.181 30 N C 1.611 177.287 175.510 0.276 0.000 1.016 30 N CA 0.845 53.992 53.050 0.161 0.000 0.870 30 N CB -0.303 38.284 38.487 0.166 0.000 0.979 30 N HN 0.194 nan 8.380 nan 0.000 0.431 31 F N 2.543 122.602 119.950 0.182 0.000 2.069 31 F HA -0.174 4.348 4.527 -0.007 0.000 0.298 31 F C 1.989 177.902 175.800 0.189 0.000 1.113 31 F CA 1.416 59.535 58.000 0.198 0.000 1.214 31 F CB -0.177 38.904 39.000 0.135 0.000 0.978 31 F HN -0.018 nan 8.300 nan 0.000 0.474 32 N N 0.419 119.368 118.700 0.414 0.000 2.166 32 N HA -0.188 4.547 4.740 -0.007 0.000 0.186 32 N C 2.025 177.629 175.510 0.156 0.000 1.019 32 N CA 1.212 54.425 53.050 0.270 0.000 0.856 32 N CB -0.581 38.039 38.487 0.221 0.000 0.993 32 N HN 0.375 nan 8.380 nan 0.000 0.426 33 R N 0.225 120.812 120.500 0.145 0.000 2.073 33 R HA -0.109 4.227 4.340 -0.007 0.000 0.234 33 R C 1.808 178.194 176.300 0.144 0.000 1.134 33 R CA 1.510 57.712 56.100 0.170 0.000 0.952 33 R CB -0.210 30.125 30.300 0.058 0.000 0.850 33 R HN 0.395 nan 8.270 nan 0.000 0.433 34 H N -0.413 118.708 119.070 0.085 0.000 2.389 34 H HA -0.120 4.431 4.556 -0.008 0.000 0.299 34 H C 1.881 177.161 175.328 -0.080 0.000 1.081 34 H CA 1.432 57.466 56.048 -0.023 0.000 1.345 34 H CB 0.057 29.769 29.762 -0.083 0.000 1.393 34 H HN 0.117 nan 8.280 nan 0.000 0.520 35 L N 0.006 121.233 121.223 0.008 0.000 2.079 35 L HA -0.213 4.123 4.340 -0.007 0.000 0.210 35 L C 2.194 179.055 176.870 -0.014 0.000 1.081 35 L CA 1.884 56.701 54.840 -0.038 0.000 0.752 35 L CB -0.420 41.634 42.059 -0.008 0.000 0.896 35 L HN 0.322 nan 8.230 nan 0.000 0.433 36 H N -1.863 117.142 119.070 -0.109 0.000 2.287 36 H HA -0.053 4.498 4.556 -0.008 0.000 0.309 36 H C 1.816 176.961 175.328 -0.306 0.000 1.059 36 H CA 2.200 58.087 56.048 -0.269 0.000 1.357 36 H CB -0.298 29.201 29.762 -0.438 0.000 1.409 36 H HN 0.268 nan 8.280 nan 0.000 0.515 37 F N -0.353 119.572 119.950 -0.041 0.000 2.234 37 F HA -0.021 4.502 4.527 -0.008 0.000 0.296 37 F C 2.578 178.296 175.800 -0.137 0.000 1.089 37 F CA 1.376 59.306 58.000 -0.117 0.000 1.343 37 F CB -0.358 38.614 39.000 -0.047 0.000 1.040 37 F HN 0.189 nan 8.300 nan 0.000 0.498 38 T N 0.035 114.619 114.554 0.050 0.000 2.866 38 T HA 0.063 4.409 4.350 -0.007 0.000 0.250 38 T C 1.988 176.604 174.700 -0.141 0.000 1.033 38 T CA 0.874 62.929 62.100 -0.075 0.000 1.145 38 T CB -0.305 68.478 68.868 -0.141 0.000 0.866 38 T HN 0.104 nan 8.240 nan 0.000 0.434 39 L N 1.227 122.373 121.223 -0.130 0.000 2.477 39 L HA 0.193 4.528 4.340 -0.007 0.000 0.220 39 L C 0.485 177.269 176.870 -0.145 0.000 1.106 39 L CA -0.045 54.711 54.840 -0.141 0.000 0.851 39 L CB -0.202 41.787 42.059 -0.117 0.000 0.994 39 L HN 0.002 nan 8.230 nan 0.000 0.462 40 V N 0.433 120.241 119.914 -0.177 0.000 5.820 40 V HA -0.272 3.844 4.120 -0.007 0.000 0.300 40 V C 0.023 176.015 176.094 -0.170 0.000 0.585 40 V CA 1.128 63.293 62.300 -0.225 0.000 0.629 40 V CB -2.243 29.467 31.823 -0.187 0.000 0.291 40 V HN 0.411 nan 8.190 nan 0.000 0.887 41 K N 0.945 121.260 120.400 -0.142 0.000 2.400 41 K HA 0.780 5.096 4.320 -0.007 0.000 0.246 41 K C -0.348 176.230 176.600 -0.037 0.000 0.995 41 K CA -0.458 55.774 56.287 -0.091 0.000 0.840 41 K CB 2.587 35.027 32.500 -0.101 0.000 1.293 41 K HN 0.523 nan 8.250 nan 0.000 0.445 42 D N -1.119 119.275 120.400 -0.010 0.000 2.450 42 D HA 0.325 4.960 4.640 -0.007 0.000 0.238 42 D C 0.639 176.979 176.300 0.066 0.000 1.020 42 D CA -0.749 53.277 54.000 0.042 0.000 1.010 42 D CB 0.922 41.744 40.800 0.036 0.000 1.342 42 D HN 0.124 nan 8.370 nan 0.000 0.530 43 R N 0.078 120.649 120.500 0.118 0.000 2.241 43 R HA -0.022 4.313 4.340 -0.007 0.000 0.224 43 R C 0.788 177.162 176.300 0.125 0.000 1.101 43 R CA 0.505 56.714 56.100 0.182 0.000 0.995 43 R CB -0.573 29.832 30.300 0.175 0.000 0.870 43 R HN 0.499 nan 8.270 nan 0.000 0.463 44 N N 0.439 119.180 118.700 0.068 0.000 2.135 44 N HA -0.105 4.630 4.740 -0.007 0.000 0.186 44 N C 1.847 177.373 175.510 0.026 0.000 1.027 44 N CA 1.681 54.757 53.050 0.044 0.000 0.849 44 N CB -0.090 38.414 38.487 0.027 0.000 1.002 44 N HN 0.220 nan 8.380 nan 0.000 0.425 45 V N -1.805 118.111 119.914 0.003 0.000 3.590 45 V HA 0.465 4.580 4.120 -0.007 0.000 0.265 45 V C 0.915 176.971 176.094 -0.063 0.000 1.239 45 V CA -0.296 61.991 62.300 -0.022 0.000 1.117 45 V CB -0.769 31.037 31.823 -0.028 0.000 0.818 45 V HN 0.108 nan 8.190 nan 0.000 0.451 46 A N 2.460 125.221 122.820 -0.100 0.000 2.520 46 A HA 0.502 4.817 4.320 -0.007 0.000 0.245 46 A C 0.819 178.200 177.584 -0.339 0.000 1.072 46 A CA 0.756 52.616 52.037 -0.295 0.000 0.761 46 A CB -0.393 18.321 19.000 -0.476 0.000 1.004 46 A HN 0.806 nan 8.150 nan 0.000 0.499 47 T N 0.763 115.125 114.554 -0.320 0.000 2.912 47 T HA 0.532 4.878 4.350 -0.007 0.000 0.280 47 T C -1.992 172.605 174.700 -0.172 0.000 0.989 47 T CA -1.691 60.310 62.100 -0.166 0.000 0.995 47 T CB 0.998 69.819 68.868 -0.077 0.000 1.077 47 T HN 0.273 nan 8.240 nan 0.000 0.531 48 P HA -0.100 nan 4.420 nan 0.000 0.216 48 P C 1.633 179.036 177.300 0.172 0.000 1.150 48 P CA 0.975 64.201 63.100 0.209 0.000 0.843 48 P CB 0.039 31.830 31.700 0.152 0.000 0.787 49 R N 0.018 120.565 120.500 0.078 0.000 2.081 49 R HA -0.151 4.185 4.340 -0.007 0.000 0.235 49 R C 1.702 178.159 176.300 0.262 0.000 1.131 49 R CA 1.866 58.047 56.100 0.134 0.000 0.960 49 R CB -0.737 29.561 30.300 -0.003 0.000 0.856 49 R HN 0.075 nan 8.270 nan 0.000 0.436 50 D N -0.314 120.125 120.400 0.065 0.000 2.123 50 D HA -0.202 4.434 4.640 -0.007 0.000 0.196 50 D C 1.770 178.094 176.300 0.041 0.000 0.992 50 D CA 1.383 55.379 54.000 -0.007 0.000 0.833 50 D CB -0.362 40.291 40.800 -0.245 0.000 0.954 50 D HN 0.312 nan 8.370 nan 0.000 0.455 51 Y N -0.044 120.355 120.300 0.164 0.000 2.200 51 Y HA -0.187 4.359 4.550 -0.007 0.000 0.290 51 Y C 2.314 178.342 175.900 0.214 0.000 1.137 51 Y CA 0.228 58.467 58.100 0.231 0.000 1.163 51 Y CB -1.204 37.464 38.460 0.346 0.000 0.988 51 Y HN 0.085 nan 8.280 nan 0.000 0.518 52 Y N -0.375 120.064 120.300 0.232 0.000 2.081 52 Y HA -0.316 4.229 4.550 -0.008 0.000 0.280 52 Y C 2.030 177.890 175.900 -0.066 0.000 1.163 52 Y CA 1.474 59.603 58.100 0.049 0.000 1.135 52 Y CB -1.161 37.233 38.460 -0.109 0.000 0.970 52 Y HN 0.047 nan 8.280 nan 0.000 0.498 53 F N 0.149 119.887 119.950 -0.354 0.000 2.171 53 F HA -0.145 4.377 4.527 -0.007 0.000 0.300 53 F C 2.645 178.256 175.800 -0.315 0.000 1.090 53 F CA 1.270 58.982 58.000 -0.480 0.000 1.293 53 F CB -0.845 38.066 39.000 -0.149 0.000 1.013 53 F HN 0.214 nan 8.300 nan 0.000 0.486 54 A N -0.100 122.661 122.820 -0.099 0.000 1.883 54 A HA -0.209 4.107 4.320 -0.007 0.000 0.217 54 A C 2.071 179.494 177.584 -0.268 0.000 1.186 54 A CA 1.729 53.568 52.037 -0.331 0.000 0.624 54 A CB -1.064 17.371 19.000 -0.942 0.000 0.822 54 A HN 0.350 nan 8.150 nan 0.000 0.444 55 L N -0.344 120.833 121.223 -0.077 0.000 2.056 55 L HA -0.015 4.321 4.340 -0.007 0.000 0.207 55 L C 2.693 179.516 176.870 -0.080 0.000 1.078 55 L CA 2.123 57.051 54.840 0.147 0.000 0.749 55 L CB -0.871 41.356 42.059 0.280 0.000 0.901 55 L HN 0.350 nan 8.230 nan 0.000 0.433 56 A N -1.136 121.437 122.820 -0.411 0.000 1.883 56 A HA -0.289 4.027 4.320 -0.007 0.000 0.217 56 A C 2.135 179.304 177.584 -0.691 0.000 1.186 56 A CA 2.093 53.736 52.037 -0.657 0.000 0.624 56 A CB -1.122 17.122 19.000 -1.260 0.000 0.822 56 A HN 0.685 nan 8.150 nan 0.000 0.444 57 H N -0.899 117.831 119.070 -0.568 0.000 2.389 57 H HA -0.059 4.493 4.556 -0.007 0.000 0.299 57 H C 2.373 177.402 175.328 -0.499 0.000 1.081 57 H CA 1.873 57.513 56.048 -0.679 0.000 1.345 57 H CB -0.187 28.921 29.762 -1.091 0.000 1.393 57 H HN 0.462 nan 8.280 nan 0.000 0.520 58 T N -0.093 114.372 114.554 -0.148 0.000 2.708 58 T HA -0.150 4.196 4.350 -0.007 0.000 0.266 58 T C 2.276 177.129 174.700 0.255 0.000 1.037 58 T CA 1.421 63.636 62.100 0.192 0.000 1.146 58 T CB -0.426 68.622 68.868 0.301 0.000 0.865 58 T HN 0.091 nan 8.240 nan 0.000 0.435 59 V N 1.547 121.582 119.914 0.202 0.000 2.358 59 V HA -0.113 4.003 4.120 -0.007 0.000 0.246 59 V C 2.734 179.007 176.094 0.299 0.000 1.047 59 V CA 1.375 63.842 62.300 0.277 0.000 1.035 59 V CB -0.583 31.399 31.823 0.264 0.000 0.658 59 V HN 0.311 nan 8.190 nan 0.000 0.452 60 R N 0.225 120.844 120.500 0.197 0.000 2.105 60 R HA -0.191 4.145 4.340 -0.007 0.000 0.239 60 R C 1.938 178.339 176.300 0.168 0.000 1.135 60 R CA 1.798 58.017 56.100 0.197 0.000 0.967 60 R CB -0.647 29.611 30.300 -0.070 0.000 0.861 60 R HN 0.512 nan 8.270 nan 0.000 0.442 61 D N -0.482 120.002 120.400 0.140 0.000 2.182 61 D HA -0.163 4.473 4.640 -0.007 0.000 0.201 61 D C 1.679 178.003 176.300 0.041 0.000 0.986 61 D CA 1.043 55.100 54.000 0.095 0.000 0.847 61 D CB -0.340 40.505 40.800 0.075 0.000 0.942 61 D HN 0.431 nan 8.370 nan 0.000 0.467 62 H N -0.341 118.793 119.070 0.106 0.000 2.546 62 H HA 0.066 4.617 4.556 -0.007 0.000 0.277 62 H C 2.066 177.435 175.328 0.068 0.000 1.004 62 H CA 0.363 56.458 56.048 0.078 0.000 1.231 62 H CB 0.365 30.165 29.762 0.064 0.000 1.382 62 H HN 0.206 nan 8.280 nan 0.000 0.580 63 L N -0.346 120.983 121.223 0.177 0.000 2.270 63 L HA -0.068 4.268 4.340 -0.007 0.000 0.210 63 L C 2.456 179.435 176.870 0.181 0.000 1.104 63 L CA 0.092 54.999 54.840 0.113 0.000 0.804 63 L CB 0.026 42.102 42.059 0.027 0.000 0.937 63 L HN 0.013 nan 8.230 nan 0.000 0.450 64 V N 0.330 120.368 119.914 0.207 0.000 2.261 64 V HA -0.237 3.879 4.120 -0.007 0.000 0.246 64 V C 2.644 178.858 176.094 0.201 0.000 1.047 64 V CA 2.180 64.638 62.300 0.265 0.000 1.015 64 V CB -1.338 30.595 31.823 0.183 0.000 0.642 64 V HN 0.553 nan 8.190 nan 0.000 0.446 65 G N -0.167 108.704 108.800 0.118 0.000 2.491 65 G HA2 -0.284 3.671 3.960 -0.007 0.000 0.218 65 G HA3 -0.284 3.671 3.960 -0.007 0.000 0.218 65 G C 1.734 176.686 174.900 0.087 0.000 1.180 65 G CA 1.035 46.181 45.100 0.077 0.000 0.774 65 G HN 0.453 nan 8.290 nan 0.000 0.562 66 R N -1.474 119.084 120.500 0.098 0.000 2.096 66 R HA -0.089 4.247 4.340 -0.007 0.000 0.235 66 R C 2.274 178.661 176.300 0.146 0.000 1.127 66 R CA 1.206 57.352 56.100 0.078 0.000 0.968 66 R CB -0.358 29.972 30.300 0.049 0.000 0.861 66 R HN 0.497 nan 8.270 nan 0.000 0.440 67 W N 1.497 122.786 121.300 -0.019 0.000 2.355 67 W HA -0.069 4.587 4.660 -0.007 0.000 0.309 67 W C 1.730 178.236 176.519 -0.023 0.000 1.206 67 W CA 0.906 58.241 57.345 -0.016 0.000 1.284 67 W CB -0.602 28.867 29.460 0.015 0.000 1.145 67 W HN -0.045 nan 8.180 nan 0.000 0.502 68 I N 0.086 120.715 120.570 0.099 0.000 2.179 68 I HA -0.326 3.840 4.170 -0.007 0.000 0.242 68 I C 2.660 178.762 176.117 -0.025 0.000 1.088 68 I CA 1.515 62.790 61.300 -0.042 0.000 1.357 68 I CB -0.606 37.374 38.000 -0.033 0.000 1.051 68 I HN -0.117 nan 8.210 nan 0.000 0.409 69 R N -0.001 120.502 120.500 0.005 0.000 2.075 69 R HA -0.116 4.219 4.340 -0.007 0.000 0.232 69 R C 2.355 178.625 176.300 -0.050 0.000 1.126 69 R CA 1.896 57.989 56.100 -0.012 0.000 0.963 69 R CB -0.530 29.764 30.300 -0.009 0.000 0.858 69 R HN 0.347 nan 8.270 nan 0.000 0.435 70 T N 1.096 115.598 114.554 -0.087 0.000 2.684 70 T HA -0.147 4.199 4.350 -0.007 0.000 0.267 70 T C 1.780 176.223 174.700 -0.428 0.000 1.036 70 T CA 1.108 63.044 62.100 -0.273 0.000 1.148 70 T CB -0.100 68.650 68.868 -0.196 0.000 0.863 70 T HN 0.192 nan 8.240 nan 0.000 0.436 71 Q N 0.698 120.398 119.800 -0.167 0.000 2.167 71 Q HA -0.057 4.279 4.340 -0.007 0.000 0.202 71 Q C 2.340 178.360 176.000 0.032 0.000 0.970 71 Q CA 1.181 56.968 55.803 -0.026 0.000 0.855 71 Q CB -0.488 28.258 28.738 0.012 0.000 0.911 71 Q HN 0.483 nan 8.270 nan 0.000 0.438 72 Q N 0.196 119.997 119.800 0.001 0.000 2.084 72 Q HA -0.187 4.149 4.340 -0.007 0.000 0.202 72 Q C 1.910 177.982 176.000 0.121 0.000 0.978 72 Q CA 1.953 57.793 55.803 0.060 0.000 0.844 72 Q CB -0.376 28.379 28.738 0.028 0.000 0.898 72 Q HN 0.581 nan 8.270 nan 0.000 0.426 73 H N -1.095 117.944 119.070 -0.052 0.000 2.352 73 H HA -0.177 4.375 4.556 -0.007 0.000 0.299 73 H C 1.125 176.509 175.328 0.094 0.000 1.097 73 H CA 2.197 58.223 56.048 -0.038 0.000 1.311 73 H CB -0.250 29.421 29.762 -0.152 0.000 1.377 73 H HN 0.348 nan 8.280 nan 0.000 0.504 74 Y N -1.055 119.287 120.300 0.069 0.000 2.293 74 Y HA -0.170 4.376 4.550 -0.008 0.000 0.291 74 Y C 2.378 178.298 175.900 0.034 0.000 1.137 74 Y CA 0.998 59.114 58.100 0.025 0.000 1.202 74 Y CB -1.288 37.262 38.460 0.151 0.000 0.990 74 Y HN 0.363 nan 8.280 nan 0.000 0.537 75 Y N 1.036 121.403 120.300 0.112 0.000 2.200 75 Y HA -0.184 4.362 4.550 -0.008 0.000 0.290 75 Y C 2.066 177.959 175.900 -0.011 0.000 1.137 75 Y CA 1.814 59.938 58.100 0.041 0.000 1.163 75 Y CB -0.184 38.290 38.460 0.023 0.000 0.988 75 Y HN 0.181 nan 8.280 nan 0.000 0.518 76 E N -0.235 119.964 120.200 -0.002 0.000 2.028 76 E HA -0.180 4.166 4.350 -0.007 0.000 0.190 76 E C 2.118 178.622 176.600 -0.159 0.000 0.984 76 E CA 0.975 57.317 56.400 -0.097 0.000 0.800 76 E CB -0.172 29.521 29.700 -0.011 0.000 0.758 76 E HN 0.184 nan 8.360 nan 0.000 0.448 77 K N 1.195 121.469 120.400 -0.211 0.000 2.288 77 K HA -0.145 4.170 4.320 -0.007 0.000 0.201 77 K C -0.072 176.453 176.600 -0.125 0.000 1.048 77 K CA 0.802 56.966 56.287 -0.204 0.000 0.956 77 K CB -0.008 32.262 32.500 -0.384 0.000 0.746 77 K HN -0.018 nan 8.250 nan 0.000 0.461 78 D N 0.807 121.140 120.400 -0.113 0.000 2.697 78 D HA -0.114 4.522 4.640 -0.007 0.000 0.238 78 D C -2.373 173.893 176.300 -0.057 0.000 1.152 78 D CA 0.239 54.183 54.000 -0.092 0.000 0.666 78 D CB -0.147 40.571 40.800 -0.137 0.000 1.037 78 D HN 0.281 nan 8.370 nan 0.000 0.423 79 P HA 0.109 nan 4.420 nan 0.000 0.277 79 P C -0.090 177.174 177.300 -0.060 0.000 1.271 79 P CA -0.584 62.487 63.100 -0.049 0.000 0.795 79 P CB 0.626 32.290 31.700 -0.061 0.000 1.101 80 K N 1.218 121.586 120.400 -0.054 0.000 2.451 80 K HA 0.033 4.349 4.320 -0.007 0.000 0.280 80 K C 0.109 176.635 176.600 -0.124 0.000 1.020 80 K CA -0.133 56.116 56.287 -0.063 0.000 1.008 80 K CB 0.289 32.768 32.500 -0.034 0.000 0.917 80 K HN 0.285 nan 8.250 nan 0.000 0.478 81 R N 4.279 124.698 120.500 -0.136 0.000 2.368 81 R HA 0.334 4.669 4.340 -0.007 0.000 0.302 81 R C -0.195 175.877 176.300 -0.380 0.000 1.002 81 R CA -0.767 55.185 56.100 -0.247 0.000 0.929 81 R CB 0.698 30.853 30.300 -0.242 0.000 1.073 81 R HN 0.515 nan 8.270 nan 0.000 0.464 82 I N 4.138 124.418 120.570 -0.485 0.000 2.330 82 I HA 0.252 4.417 4.170 -0.007 0.000 0.289 82 I C -0.426 175.415 176.117 -0.461 0.000 1.001 82 I CA -1.054 59.902 61.300 -0.572 0.000 1.193 82 I CB 0.460 37.957 38.000 -0.839 0.000 1.345 82 I HN 0.413 nan 8.210 nan 0.000 0.461 83 Y N 6.075 126.342 120.300 -0.054 0.000 2.356 83 Y HA 0.293 4.839 4.550 -0.007 0.000 0.334 83 Y C -0.305 175.701 175.900 0.176 0.000 0.958 83 Y CA -0.657 57.530 58.100 0.146 0.000 1.196 83 Y CB 1.167 39.661 38.460 0.057 0.000 1.137 83 Y HN 0.410 nan 8.280 nan 0.000 0.485 84 Y N 4.683 125.168 120.300 0.309 0.000 2.504 84 Y HA 0.509 5.055 4.550 -0.007 0.000 0.339 84 Y C -1.390 174.781 175.900 0.452 0.000 0.974 84 Y CA -1.035 57.253 58.100 0.314 0.000 1.232 84 Y CB 0.308 38.945 38.460 0.294 0.000 1.108 84 Y HN 0.505 nan 8.280 nan 0.000 0.509 85 L N 4.931 126.212 121.223 0.097 0.000 2.264 85 L HA 0.517 4.853 4.340 -0.007 0.000 0.289 85 L C -0.192 176.706 176.870 0.047 0.000 1.044 85 L CA 0.051 55.013 54.840 0.204 0.000 0.807 85 L CB 1.440 43.587 42.059 0.146 0.000 1.192 85 L HN 0.561 nan 8.230 nan 0.000 0.425 86 S N 2.641 118.460 115.700 0.198 0.000 2.536 86 S HA 0.476 4.941 4.470 -0.007 0.000 0.271 86 S C 0.315 175.025 174.600 0.185 0.000 1.134 86 S CA -0.613 57.599 58.200 0.020 0.000 0.897 86 S CB 1.029 63.993 63.200 -0.393 0.000 1.094 86 S HN 0.495 nan 8.310 nan 0.000 0.473 87 L N 2.545 123.906 121.223 0.231 0.000 2.599 87 L HA 0.376 4.712 4.340 -0.007 0.000 0.230 87 L C 0.212 177.286 176.870 0.340 0.000 1.141 87 L CA 1.167 56.206 54.840 0.331 0.000 0.877 87 L CB -0.881 41.388 42.059 0.351 0.000 1.009 87 L HN 0.706 nan 8.230 nan 0.000 0.447 88 E N -0.833 119.441 120.200 0.124 0.000 2.290 88 E HA 0.370 4.716 4.350 -0.007 0.000 0.274 88 E C -1.537 174.943 176.600 -0.200 0.000 0.889 88 E CA -0.353 56.095 56.400 0.079 0.000 0.760 88 E CB 2.049 31.758 29.700 0.015 0.000 1.206 88 E HN -0.154 nan 8.360 nan 0.000 0.419 89 F N 2.248 122.302 119.950 0.173 0.000 2.577 89 F HA 0.207 4.729 4.527 -0.008 0.000 0.344 89 F C -0.747 175.138 175.800 0.141 0.000 1.145 89 F CA -0.748 57.343 58.000 0.151 0.000 0.996 89 F CB 1.028 40.107 39.000 0.132 0.000 1.248 89 F HN 0.483 nan 8.300 nan 0.000 0.447 90 Y N 5.420 125.793 120.300 0.123 0.000 2.821 90 Y HA 0.247 4.793 4.550 -0.007 0.000 0.331 90 Y C 0.886 176.805 175.900 0.032 0.000 1.251 90 Y CA -1.086 57.037 58.100 0.039 0.000 1.494 90 Y CB 0.335 38.805 38.460 0.016 0.000 1.493 90 Y HN 0.565 nan 8.280 nan 0.000 0.496 91 M N 0.904 120.607 119.600 0.173 0.000 2.349 91 M HA 0.117 4.592 4.480 -0.007 0.000 0.266 91 M C 1.521 177.777 176.300 -0.074 0.000 1.076 91 M CA 1.056 56.380 55.300 0.040 0.000 1.126 91 M CB -1.090 31.518 32.600 0.014 0.000 1.392 91 M HN 0.662 nan 8.290 nan 0.000 0.440 92 G N 1.264 110.015 108.800 -0.083 0.000 2.562 92 G HA2 -0.269 3.686 3.960 -0.007 0.000 0.250 92 G HA3 -0.269 3.686 3.960 -0.007 0.000 0.250 92 G C -0.261 174.570 174.900 -0.114 0.000 1.269 92 G CA -0.338 44.676 45.100 -0.144 0.000 0.919 92 G HN 0.436 nan 8.290 nan 0.000 0.574 93 R N -0.968 119.446 120.500 -0.142 0.000 2.577 93 R HA 0.588 4.923 4.340 -0.007 0.000 0.269 93 R C 1.060 177.215 176.300 -0.242 0.000 1.084 93 R CA 0.316 56.343 56.100 -0.122 0.000 1.163 93 R CB 0.612 30.851 30.300 -0.101 0.000 1.100 93 R HN 0.528 nan 8.270 nan 0.000 0.547 94 T N 0.654 114.994 114.554 -0.356 0.000 2.955 94 T HA 0.004 4.350 4.350 -0.007 0.000 0.251 94 T C 1.363 175.594 174.700 -0.781 0.000 1.002 94 T CA -0.200 61.446 62.100 -0.758 0.000 0.970 94 T CB 0.158 68.158 68.868 -1.446 0.000 1.091 94 T HN 0.305 nan 8.240 nan 0.000 0.495 95 L N 2.118 123.137 121.223 -0.340 0.000 1.970 95 L HA -0.042 4.293 4.340 -0.007 0.000 0.212 95 L C 2.469 179.292 176.870 -0.078 0.000 1.071 95 L CA 2.078 56.911 54.840 -0.011 0.000 0.751 95 L CB -0.721 41.567 42.059 0.382 0.000 0.889 95 L HN 0.200 nan 8.230 nan 0.000 0.432 96 Q N -0.739 119.015 119.800 -0.076 0.000 2.084 96 Q HA -0.261 4.075 4.340 -0.007 0.000 0.202 96 Q C 2.242 178.164 176.000 -0.130 0.000 0.978 96 Q CA 1.972 57.726 55.803 -0.082 0.000 0.844 96 Q CB -0.373 28.314 28.738 -0.085 0.000 0.898 96 Q HN 0.718 nan 8.270 nan 0.000 0.426 97 N N -1.036 117.543 118.700 -0.201 0.000 2.104 97 N HA -0.158 4.578 4.740 -0.007 0.000 0.190 97 N C 1.413 176.811 175.510 -0.186 0.000 1.024 97 N CA 1.895 54.820 53.050 -0.208 0.000 0.853 97 N CB 0.006 38.334 38.487 -0.265 0.000 1.008 97 N HN 0.253 nan 8.380 nan 0.000 0.424 98 T N 1.387 115.790 114.554 -0.252 0.000 2.708 98 T HA -0.086 4.260 4.350 -0.007 0.000 0.266 98 T C 2.083 176.720 174.700 -0.104 0.000 1.037 98 T CA 1.205 63.183 62.100 -0.203 0.000 1.146 98 T CB -0.105 68.602 68.868 -0.268 0.000 0.865 98 T HN 0.272 nan 8.240 nan 0.000 0.435 99 M N 0.568 120.122 119.600 -0.077 0.000 2.086 99 M HA -0.095 4.381 4.480 -0.007 0.000 0.261 99 M C 2.505 178.772 176.300 -0.055 0.000 1.067 99 M CA 1.305 56.574 55.300 -0.053 0.000 1.116 99 M CB -0.690 31.895 32.600 -0.025 0.000 1.348 99 M HN 0.099 nan 8.290 nan 0.000 0.407 100 V N 0.968 120.858 119.914 -0.041 0.000 2.287 100 V HA -0.280 3.835 4.120 -0.007 0.000 0.248 100 V C 1.984 178.100 176.094 0.037 0.000 1.053 100 V CA 1.799 64.107 62.300 0.014 0.000 1.027 100 V CB -0.854 30.981 31.823 0.019 0.000 0.646 100 V HN 0.500 nan 8.190 nan 0.000 0.447 101 N N -0.133 118.571 118.700 0.007 0.000 2.396 101 N HA 0.007 4.743 4.740 -0.007 0.000 0.180 101 N C 1.423 176.840 175.510 -0.155 0.000 1.028 101 N CA 0.986 54.022 53.050 -0.024 0.000 0.893 101 N CB 0.063 38.544 38.487 -0.010 0.000 0.967 101 N HN 0.424 nan 8.380 nan 0.000 0.440 102 L N 0.153 121.301 121.223 -0.125 0.000 2.640 102 L HA 0.300 4.635 4.340 -0.007 0.000 0.230 102 L C 0.659 177.442 176.870 -0.145 0.000 1.123 102 L CA -0.174 54.588 54.840 -0.130 0.000 0.900 102 L CB 0.072 42.078 42.059 -0.089 0.000 1.146 102 L HN -0.065 nan 8.230 nan 0.000 0.484 103 A N 0.496 123.227 122.820 -0.149 0.000 2.869 103 A HA -0.209 4.106 4.320 -0.007 0.000 0.280 103 A C 0.884 178.407 177.584 -0.102 0.000 1.458 103 A CA 0.939 52.901 52.037 -0.125 0.000 0.776 103 A CB -2.057 16.855 19.000 -0.146 0.000 1.028 103 A HN 0.436 nan 8.150 nan 0.000 0.547 104 L N -1.489 119.673 121.223 -0.102 0.000 2.693 104 L HA 0.164 4.499 4.340 -0.007 0.000 0.235 104 L C 1.914 178.745 176.870 -0.064 0.000 1.127 104 L CA 0.703 55.477 54.840 -0.111 0.000 0.914 104 L CB 0.068 42.022 42.059 -0.175 0.000 1.193 104 L HN 0.638 nan 8.230 nan 0.000 0.502 105 E N 1.213 121.386 120.200 -0.044 0.000 2.031 105 E HA -0.236 4.109 4.350 -0.007 0.000 0.193 105 E C 1.643 178.231 176.600 -0.020 0.000 0.994 105 E CA 1.759 58.145 56.400 -0.024 0.000 0.800 105 E CB 0.116 29.806 29.700 -0.018 0.000 0.752 105 E HN 0.514 nan 8.360 nan 0.000 0.447 106 N N -0.438 118.248 118.700 -0.024 0.000 2.166 106 N HA -0.155 4.580 4.740 -0.007 0.000 0.186 106 N C 1.762 177.259 175.510 -0.022 0.000 1.019 106 N CA 0.744 53.779 53.050 -0.024 0.000 0.856 106 N CB -0.089 38.382 38.487 -0.026 0.000 0.993 106 N HN 0.164 nan 8.380 nan 0.000 0.426 107 A N 0.492 123.296 122.820 -0.026 0.000 1.877 107 A HA -0.159 4.157 4.320 -0.007 0.000 0.216 107 A C 2.411 179.990 177.584 -0.008 0.000 1.186 107 A CA 1.107 53.131 52.037 -0.020 0.000 0.620 107 A CB -0.916 18.063 19.000 -0.036 0.000 0.822 107 A HN 0.464 nan 8.150 nan 0.000 0.443 108 C N -0.849 118.446 119.300 -0.007 0.000 2.440 108 C HA -0.054 4.401 4.460 -0.007 0.000 0.278 108 C C 2.460 177.457 174.990 0.011 0.000 1.295 108 C CA 1.046 60.073 59.018 0.015 0.000 1.738 108 C CB -1.112 26.648 27.740 0.033 0.000 1.987 108 C HN 0.702 nan 8.230 nan 0.000 0.492 109 D N 0.805 121.210 120.400 0.008 0.000 2.097 109 D HA -0.151 4.485 4.640 -0.007 0.000 0.195 109 D C 2.119 178.435 176.300 0.027 0.000 0.989 109 D CA 1.548 55.555 54.000 0.012 0.000 0.827 109 D CB -0.240 40.556 40.800 -0.007 0.000 0.966 109 D HN 0.472 nan 8.370 nan 0.000 0.456 110 E N 0.138 120.346 120.200 0.013 0.000 2.047 110 E HA -0.045 4.301 4.350 -0.007 0.000 0.191 110 E C 1.886 178.522 176.600 0.060 0.000 0.987 110 E CA 1.538 57.962 56.400 0.040 0.000 0.799 110 E CB -0.568 29.138 29.700 0.011 0.000 0.752 110 E HN 0.220 nan 8.360 nan 0.000 0.449 111 A N -0.029 122.796 122.820 0.009 0.000 1.865 111 A HA -0.235 4.080 4.320 -0.007 0.000 0.217 111 A C 2.517 180.026 177.584 -0.126 0.000 1.191 111 A CA 3.034 55.048 52.037 -0.039 0.000 0.623 111 A CB -1.567 17.417 19.000 -0.027 0.000 0.826 111 A HN 0.524 nan 8.150 nan 0.000 0.444 112 T N -3.457 111.018 114.554 -0.133 0.000 2.788 112 T HA -0.238 4.107 4.350 -0.007 0.000 0.268 112 T C 1.848 176.462 174.700 -0.143 0.000 1.044 112 T CA 1.562 63.525 62.100 -0.229 0.000 1.139 112 T CB -0.664 68.120 68.868 -0.139 0.000 0.867 112 T HN 0.505 nan 8.240 nan 0.000 0.454 113 Y N 2.130 122.350 120.300 -0.133 0.000 2.128 113 Y HA -0.168 4.378 4.550 -0.007 0.000 0.284 113 Y C 2.748 178.584 175.900 -0.107 0.000 1.154 113 Y CA 1.759 59.799 58.100 -0.100 0.000 1.149 113 Y CB -0.415 38.006 38.460 -0.065 0.000 0.976 113 Y HN 0.224 nan 8.280 nan 0.000 0.505 114 Q N -0.105 119.630 119.800 -0.107 0.000 2.226 114 Q HA -0.141 4.194 4.340 -0.007 0.000 0.204 114 Q C 1.856 177.717 176.000 -0.232 0.000 0.975 114 Q CA 1.415 57.114 55.803 -0.172 0.000 0.866 114 Q CB -0.102 28.609 28.738 -0.044 0.000 0.915 114 Q HN 0.543 nan 8.270 nan 0.000 0.440 115 L N -0.906 120.157 121.223 -0.267 0.000 2.591 115 L HA 0.155 4.490 4.340 -0.007 0.000 0.228 115 L C 0.945 177.630 176.870 -0.309 0.000 1.133 115 L CA 0.265 54.925 54.840 -0.300 0.000 0.880 115 L CB 0.128 41.914 42.059 -0.456 0.000 1.033 115 L HN 0.322 nan 8.230 nan 0.000 0.450 116 G N 0.760 109.364 108.800 -0.328 0.000 2.149 116 G HA2 -0.247 3.709 3.960 -0.007 0.000 0.235 116 G HA3 -0.247 3.709 3.960 -0.007 0.000 0.235 116 G C -0.216 174.543 174.900 -0.235 0.000 1.018 116 G CA -0.157 44.767 45.100 -0.293 0.000 0.728 116 G HN 0.230 nan 8.290 nan 0.000 0.508 117 L N -0.196 120.890 121.223 -0.229 0.000 2.381 117 L HA 0.575 4.910 4.340 -0.007 0.000 0.268 117 L C -0.656 176.190 176.870 -0.041 0.000 0.997 117 L CA -1.184 53.564 54.840 -0.154 0.000 0.818 117 L CB 1.990 43.901 42.059 -0.247 0.000 1.310 117 L HN 0.079 nan 8.230 nan 0.000 0.416 118 D N 2.456 122.863 120.400 0.013 0.000 2.380 118 D HA 0.160 4.796 4.640 -0.007 0.000 0.230 118 D C 0.681 177.018 176.300 0.061 0.000 1.154 118 D CA -0.166 53.867 54.000 0.054 0.000 0.859 118 D CB 1.450 42.286 40.800 0.059 0.000 1.045 118 D HN 0.521 nan 8.370 nan 0.000 0.495 119 M N 3.183 122.819 119.600 0.060 0.000 2.202 119 M HA -0.155 4.321 4.480 -0.007 0.000 0.262 119 M C 1.323 177.670 176.300 0.078 0.000 1.063 119 M CA 1.523 56.869 55.300 0.075 0.000 1.097 119 M CB 0.213 32.850 32.600 0.061 0.000 1.382 119 M HN 0.411 nan 8.290 nan 0.000 0.413 120 E N -0.093 120.142 120.200 0.059 0.000 2.106 120 E HA -0.211 4.135 4.350 -0.007 0.000 0.192 120 E C 1.814 178.446 176.600 0.053 0.000 0.984 120 E CA 1.368 57.797 56.400 0.048 0.000 0.806 120 E CB -0.096 29.628 29.700 0.039 0.000 0.750 120 E HN 0.661 nan 8.360 nan 0.000 0.458 121 E N 0.569 120.807 120.200 0.063 0.000 2.106 121 E HA -0.150 4.196 4.350 -0.007 0.000 0.192 121 E C 2.207 178.850 176.600 0.071 0.000 0.984 121 E CA 0.647 57.086 56.400 0.064 0.000 0.806 121 E CB 0.010 29.751 29.700 0.069 0.000 0.750 121 E HN 0.251 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 -0.169 4.167 4.340 -0.007 0.000 0.207 122 L C 2.235 179.170 176.870 0.108 0.000 1.078 122 L CA 1.167 56.107 54.840 0.166 0.000 0.749 122 L CB -0.421 41.790 42.059 0.254 0.000 0.901 122 L HN 0.119 nan 8.230 nan 0.000 0.433 123 E N -0.060 120.192 120.200 0.088 0.000 2.153 123 E HA -0.199 4.146 4.350 -0.007 0.000 0.194 123 E C 1.910 178.460 176.600 -0.083 0.000 0.988 123 E CA 0.790 57.209 56.400 0.031 0.000 0.811 123 E CB 0.056 29.778 29.700 0.037 0.000 0.746 123 E HN 0.369 nan 8.360 nan 0.000 0.466 124 E N 0.362 120.530 120.200 -0.052 0.000 2.418 124 E HA -0.107 4.238 4.350 -0.007 0.000 0.197 124 E C 1.815 178.344 176.600 -0.119 0.000 1.026 124 E CA 0.395 56.764 56.400 -0.052 0.000 0.862 124 E CB 0.110 29.819 29.700 0.014 0.000 0.799 124 E HN 0.327 nan 8.360 nan 0.000 0.518 125 I N 0.789 121.221 120.570 -0.230 0.000 2.439 125 I HA -0.097 4.069 4.170 -0.007 0.000 0.251 125 I C 1.315 177.126 176.117 -0.511 0.000 1.139 125 I CA 0.394 61.490 61.300 -0.340 0.000 1.438 125 I CB -0.718 37.069 38.000 -0.355 0.000 1.085 125 I HN 0.107 nan 8.210 nan 0.000 0.427 126 E N 2.747 122.517 120.200 -0.717 0.000 2.376 126 E HA -0.036 4.310 4.350 -0.007 0.000 0.266 126 E C -0.106 176.407 176.600 -0.144 0.000 1.009 126 E CA -0.167 55.902 56.400 -0.551 0.000 0.902 126 E CB 0.728 30.203 29.700 -0.375 0.000 0.972 126 E HN 0.137 nan 8.360 nan 0.000 0.439 127 E N 3.423 123.633 120.200 0.016 0.000 2.354 127 E HA 0.055 4.401 4.350 -0.007 0.000 0.269 127 E C -0.732 175.957 176.600 0.149 0.000 1.036 127 E CA -0.282 56.202 56.400 0.140 0.000 0.876 127 E CB 0.630 30.501 29.700 0.284 0.000 1.009 127 E HN 0.475 nan 8.360 nan 0.000 0.416 128 D N 0.842 121.303 120.400 0.101 0.000 2.455 128 D HA 0.132 4.767 4.640 -0.007 0.000 0.241 128 D C -0.231 176.108 176.300 0.066 0.000 1.138 128 D CA 0.150 54.181 54.000 0.051 0.000 0.877 128 D CB 0.539 41.345 40.800 0.010 0.000 1.187 128 D HN 0.382 nan 8.370 nan 0.000 0.451 129 A N 2.401 125.213 122.820 -0.013 0.000 2.666 129 A HA 0.452 4.767 4.320 -0.007 0.000 0.301 129 A C 1.081 178.521 177.584 -0.240 0.000 1.470 129 A CA -0.348 51.494 52.037 -0.324 0.000 1.159 129 A CB -0.440 18.420 19.000 -0.233 0.000 1.116 129 A HN 0.531 nan 8.150 nan 0.000 0.548 130 G N 2.000 110.638 108.800 -0.271 0.000 3.741 130 G HA2 0.415 4.371 3.960 -0.007 0.000 0.263 130 G HA3 0.415 4.371 3.960 -0.007 0.000 0.263 130 G C 0.305 175.085 174.900 -0.200 0.000 1.175 130 G CA -0.313 44.768 45.100 -0.032 0.000 1.642 130 G HN 0.685 nan 8.290 nan 0.000 0.644 131 L N 1.357 122.480 121.223 -0.167 0.000 2.862 131 L HA 0.382 4.718 4.340 -0.007 0.000 0.240 131 L C 1.054 177.913 176.870 -0.019 0.000 1.283 131 L CA -0.208 54.610 54.840 -0.037 0.000 1.117 131 L CB -0.278 41.833 42.059 0.087 0.000 1.444 131 L HN 0.335 nan 8.230 nan 0.000 0.456 132 G N -1.375 107.211 108.800 -0.357 0.000 2.660 132 G HA2 0.187 4.143 3.960 -0.007 0.000 0.290 132 G HA3 0.187 4.143 3.960 -0.007 0.000 0.290 132 G C -0.144 174.211 174.900 -0.908 0.000 1.432 132 G CA -0.452 44.333 45.100 -0.525 0.000 0.807 132 G HN -0.105 nan 8.290 nan 0.000 0.485 133 N N -0.803 117.566 118.700 -0.553 0.000 2.387 133 N HA 0.217 4.952 4.740 -0.007 0.000 0.176 133 N C 1.161 176.545 175.510 -0.211 0.000 1.022 133 N CA 1.363 54.207 53.050 -0.345 0.000 0.883 133 N CB 1.149 39.588 38.487 -0.081 0.000 1.019 133 N HN 0.864 nan 8.380 nan 0.000 0.435 134 G N -0.777 107.986 108.800 -0.061 0.000 2.825 134 G HA2 0.180 4.135 3.960 -0.007 0.000 0.100 134 G HA3 0.180 4.135 3.960 -0.007 0.000 0.100 134 G C 0.720 175.781 174.900 0.269 0.000 1.195 134 G CA 0.208 45.483 45.100 0.291 0.000 1.317 134 G HN 0.150 nan 8.290 nan 0.000 0.632 135 G N 0.336 109.222 108.800 0.143 0.000 2.440 135 G HA2 -0.062 3.893 3.960 -0.007 0.000 0.218 135 G HA3 -0.062 3.893 3.960 -0.007 0.000 0.218 135 G C 1.875 176.785 174.900 0.017 0.000 1.154 135 G CA 1.539 46.681 45.100 0.069 0.000 0.767 135 G HN 0.726 nan 8.290 nan 0.000 0.552 136 L N 0.601 121.807 121.223 -0.027 0.000 2.027 136 L HA 0.125 4.461 4.340 -0.007 0.000 0.206 136 L C 2.893 179.698 176.870 -0.108 0.000 1.074 136 L CA 1.912 56.657 54.840 -0.158 0.000 0.745 136 L CB -0.560 41.355 42.059 -0.241 0.000 0.898 136 L HN 0.232 nan 8.230 nan 0.000 0.433 137 G N -0.717 108.067 108.800 -0.027 0.000 2.402 137 G HA2 -0.316 3.640 3.960 -0.007 0.000 0.216 137 G HA3 -0.316 3.640 3.960 -0.007 0.000 0.216 137 G C 1.646 176.625 174.900 0.133 0.000 1.162 137 G CA 0.762 45.866 45.100 0.008 0.000 0.777 137 G HN 0.282 nan 8.290 nan 0.000 0.539 138 R N 0.008 120.647 120.500 0.231 0.000 2.090 138 R HA 0.123 4.459 4.340 -0.007 0.000 0.228 138 R C 2.336 178.657 176.300 0.034 0.000 1.110 138 R CA 0.833 57.041 56.100 0.179 0.000 0.973 138 R CB -0.913 29.472 30.300 0.141 0.000 0.869 138 R HN 0.329 nan 8.270 nan 0.000 0.440 139 L N 0.238 121.407 121.223 -0.091 0.000 2.042 139 L HA -0.060 4.276 4.340 -0.007 0.000 0.210 139 L C 2.108 178.676 176.870 -0.503 0.000 1.076 139 L CA 2.233 56.861 54.840 -0.352 0.000 0.749 139 L CB -0.887 40.924 42.059 -0.414 0.000 0.893 139 L HN 0.266 nan 8.230 nan 0.000 0.432 140 A N -0.607 122.058 122.820 -0.258 0.000 1.908 140 A HA -0.195 4.120 4.320 -0.007 0.000 0.218 140 A C 2.447 180.084 177.584 0.088 0.000 1.181 140 A CA 2.062 54.026 52.037 -0.121 0.000 0.627 140 A CB -1.214 17.646 19.000 -0.232 0.000 0.818 140 A HN 0.586 nan 8.150 nan 0.000 0.445 141 A N -1.114 121.794 122.820 0.146 0.000 1.877 141 A HA -0.162 4.153 4.320 -0.007 0.000 0.216 141 A C 2.322 179.987 177.584 0.135 0.000 1.186 141 A CA 1.671 53.825 52.037 0.195 0.000 0.620 141 A CB -1.282 17.820 19.000 0.171 0.000 0.822 141 A HN 0.609 nan 8.150 nan 0.000 0.443 142 C N -1.474 117.902 119.300 0.126 0.000 2.425 142 C HA -0.058 4.398 4.460 -0.007 0.000 0.277 142 C C 2.431 177.587 174.990 0.276 0.000 1.280 142 C CA 0.587 59.718 59.018 0.189 0.000 1.744 142 C CB -1.615 26.255 27.740 0.216 0.000 1.989 142 C HN 0.602 nan 8.230 nan 0.000 0.491 143 F N 1.201 121.139 119.950 -0.020 0.000 2.102 143 F HA -0.074 4.448 4.527 -0.008 0.000 0.298 143 F C 2.274 178.014 175.800 -0.101 0.000 1.105 143 F CA 0.986 58.916 58.000 -0.116 0.000 1.239 143 F CB -1.414 37.370 39.000 -0.360 0.000 0.991 143 F HN 0.185 nan 8.300 nan 0.000 0.474 144 L N -0.307 120.995 121.223 0.131 0.000 2.012 144 L HA -0.273 4.063 4.340 -0.007 0.000 0.210 144 L C 2.183 179.072 176.870 0.032 0.000 1.073 144 L CA 2.119 56.996 54.840 0.061 0.000 0.748 144 L CB -0.868 41.239 42.059 0.079 0.000 0.891 144 L HN 0.128 nan 8.230 nan 0.000 0.431 145 D N -0.453 119.977 120.400 0.050 0.000 2.104 145 D HA -0.178 4.457 4.640 -0.007 0.000 0.194 145 D C 2.196 178.520 176.300 0.040 0.000 0.994 145 D CA 1.604 55.620 54.000 0.026 0.000 0.830 145 D CB 0.195 41.010 40.800 0.025 0.000 0.959 145 D HN 0.087 nan 8.370 nan 0.000 0.452 146 S N -0.783 114.959 115.700 0.070 0.000 2.383 146 S HA -0.086 4.380 4.470 -0.007 0.000 0.227 146 S C 1.993 176.613 174.600 0.034 0.000 1.026 146 S CA 0.797 59.031 58.200 0.056 0.000 0.981 146 S CB -0.210 63.033 63.200 0.072 0.000 0.818 146 S HN 0.340 nan 8.310 nan 0.000 0.472 147 M N 0.980 120.592 119.600 0.020 0.000 2.159 147 M HA -0.108 4.368 4.480 -0.007 0.000 0.263 147 M C 2.459 178.763 176.300 0.006 0.000 1.063 147 M CA 1.424 56.730 55.300 0.011 0.000 1.110 147 M CB -0.534 32.050 32.600 -0.027 0.000 1.374 147 M HN 0.401 nan 8.290 nan 0.000 0.411 148 A N -0.216 122.606 122.820 0.002 0.000 1.898 148 A HA -0.125 4.190 4.320 -0.007 0.000 0.216 148 A C 2.168 179.772 177.584 0.032 0.000 1.181 148 A CA 2.072 54.116 52.037 0.012 0.000 0.620 148 A CB -1.089 17.904 19.000 -0.011 0.000 0.819 148 A HN 0.418 nan 8.150 nan 0.000 0.442 149 T N 0.260 114.838 114.554 0.039 0.000 2.833 149 T HA -0.025 4.321 4.350 -0.007 0.000 0.269 149 T C 1.366 176.098 174.700 0.053 0.000 1.054 149 T CA 1.160 63.295 62.100 0.058 0.000 1.135 149 T CB -0.275 68.636 68.868 0.073 0.000 0.869 149 T HN 0.327 nan 8.240 nan 0.000 0.466 150 L N 0.526 121.778 121.223 0.048 0.000 2.629 150 L HA 0.274 4.610 4.340 -0.007 0.000 0.230 150 L C 1.634 178.539 176.870 0.058 0.000 1.151 150 L CA -0.025 54.845 54.840 0.050 0.000 0.924 150 L CB -0.433 41.656 42.059 0.050 0.000 1.137 150 L HN 0.428 nan 8.230 nan 0.000 0.457 151 G N 0.946 109.784 108.800 0.064 0.000 2.225 151 G HA2 -0.287 3.668 3.960 -0.007 0.000 0.267 151 G HA3 -0.287 3.668 3.960 -0.007 0.000 0.267 151 G C 0.169 175.128 174.900 0.100 0.000 1.024 151 G CA 0.006 45.165 45.100 0.098 0.000 0.784 151 G HN 0.289 nan 8.290 nan 0.000 0.507 152 L N -0.081 121.162 121.223 0.032 0.000 2.350 152 L HA 0.571 4.907 4.340 -0.007 0.000 0.275 152 L C 1.284 177.998 176.870 -0.261 0.000 1.099 152 L CA -0.272 54.527 54.840 -0.068 0.000 0.808 152 L CB 1.479 43.514 42.059 -0.041 0.000 1.149 152 L HN 0.260 nan 8.230 nan 0.000 0.442 153 A N 3.249 125.747 122.820 -0.537 0.000 3.026 153 A HA 0.514 4.829 4.320 -0.007 0.000 0.272 153 A C 0.387 177.563 177.584 -0.680 0.000 1.782 153 A CA -0.108 51.282 52.037 -1.078 0.000 1.451 153 A CB -0.723 17.620 19.000 -1.094 0.000 1.081 153 A HN 0.709 nan 8.150 nan 0.000 0.611 154 A N 1.338 123.767 122.820 -0.651 0.000 2.337 154 A HA 0.762 5.078 4.320 -0.007 0.000 0.329 154 A C -1.110 176.090 177.584 -0.640 0.000 1.146 154 A CA -0.447 51.287 52.037 -0.505 0.000 0.800 154 A CB 0.762 19.574 19.000 -0.312 0.000 1.220 154 A HN 0.584 nan 8.150 nan 0.000 0.472 155 Y N 0.859 121.076 120.300 -0.138 0.000 2.327 155 Y HA 0.489 5.034 4.550 -0.007 0.000 0.325 155 Y C 0.920 176.934 175.900 0.190 0.000 0.999 155 Y CA -0.470 57.639 58.100 0.015 0.000 1.195 155 Y CB 2.068 40.600 38.460 0.119 0.000 1.132 155 Y HN 0.852 nan 8.280 nan 0.000 0.455 156 G N 2.494 111.397 108.800 0.172 0.000 2.380 156 G HA2 0.337 4.293 3.960 -0.007 0.000 0.262 156 G HA3 0.337 4.293 3.960 -0.007 0.000 0.262 156 G C -1.483 173.454 174.900 0.062 0.000 1.243 156 G CA -0.008 45.234 45.100 0.237 0.000 0.865 156 G HN 0.542 nan 8.290 nan 0.000 0.513 157 Y N 0.960 121.488 120.300 0.379 0.000 2.361 157 Y HA 0.611 5.156 4.550 -0.008 0.000 0.337 157 Y C 0.719 176.926 175.900 0.511 0.000 0.965 157 Y CA 0.221 58.509 58.100 0.313 0.000 1.091 157 Y CB 2.701 41.386 38.460 0.375 0.000 1.182 157 Y HN 0.904 nan 8.280 nan 0.000 0.450 158 G N 2.290 111.398 108.800 0.513 0.000 2.664 158 G HA2 0.569 4.525 3.960 -0.007 0.000 0.303 158 G HA3 0.569 4.525 3.960 -0.007 0.000 0.303 158 G C -1.769 173.372 174.900 0.402 0.000 1.243 158 G CA -0.851 44.593 45.100 0.573 0.000 0.826 158 G HN 0.433 nan 8.290 nan 0.000 0.498 159 I N 0.516 121.225 120.570 0.233 0.000 2.441 159 I HA 0.444 4.610 4.170 -0.007 0.000 0.295 159 I C 0.329 176.369 176.117 -0.128 0.000 0.994 159 I CA -0.739 60.599 61.300 0.064 0.000 1.144 159 I CB 2.192 40.058 38.000 -0.223 0.000 1.314 159 I HN 0.350 nan 8.210 nan 0.000 0.445 160 R N 5.905 126.425 120.500 0.034 0.000 2.891 160 R HA 0.217 4.553 4.340 -0.007 0.000 0.248 160 R C -1.158 175.198 176.300 0.094 0.000 1.439 160 R CA -0.492 55.654 56.100 0.076 0.000 1.288 160 R CB -0.108 30.214 30.300 0.036 0.000 1.212 160 R HN 0.401 nan 8.270 nan 0.000 0.605 161 Y N 1.387 121.840 120.300 0.254 0.000 2.620 161 Y HA -0.127 4.418 4.550 -0.008 0.000 0.330 161 Y C 1.611 177.686 175.900 0.291 0.000 1.186 161 Y CA 0.280 58.518 58.100 0.229 0.000 1.467 161 Y CB 0.603 39.172 38.460 0.182 0.000 1.262 161 Y HN 0.578 nan 8.280 nan 0.000 0.550 162 E N 2.198 122.557 120.200 0.264 0.000 2.150 162 E HA -0.078 4.267 4.350 -0.007 0.000 0.193 162 E C -0.750 175.659 176.600 -0.319 0.000 0.985 162 E CA 0.706 57.031 56.400 -0.124 0.000 0.814 162 E CB 0.164 29.654 29.700 -0.351 0.000 0.752 162 E HN 0.502 nan 8.360 nan 0.000 0.466 163 F N -0.393 119.787 119.950 0.383 0.000 2.507 163 F HA 0.442 4.964 4.527 -0.008 0.000 0.328 163 F C 0.779 176.680 175.800 0.168 0.000 1.136 163 F CA -0.887 57.297 58.000 0.308 0.000 0.930 163 F CB 1.835 40.940 39.000 0.175 0.000 1.166 163 F HN -0.119 nan 8.300 nan 0.000 0.436 164 G N 1.759 110.683 108.800 0.207 0.000 2.546 164 G HA2 0.317 4.273 3.960 -0.007 0.000 0.239 164 G HA3 0.317 4.273 3.960 -0.007 0.000 0.239 164 G C -0.483 174.392 174.900 -0.042 0.000 1.476 164 G CA -0.645 44.424 45.100 -0.052 0.000 1.064 164 G HN 0.564 nan 8.290 nan 0.000 0.561 165 I N 1.027 121.508 120.570 -0.148 0.000 2.683 165 I HA 0.208 4.374 4.170 -0.007 0.000 0.286 165 I C 0.519 176.560 176.117 -0.126 0.000 1.175 165 I CA -1.093 60.090 61.300 -0.195 0.000 1.429 165 I CB -0.319 37.478 38.000 -0.337 0.000 1.371 165 I HN 0.324 nan 8.210 nan 0.000 0.569 166 F N 5.149 125.121 119.950 0.036 0.000 2.628 166 F HA 0.179 4.702 4.527 -0.007 0.000 0.362 166 F C 0.426 176.283 175.800 0.096 0.000 1.148 166 F CA -0.594 57.446 58.000 0.065 0.000 1.352 166 F CB -0.652 38.372 39.000 0.040 0.000 1.081 166 F HN 0.516 nan 8.300 nan 0.000 0.605 167 N N 2.100 120.969 118.700 0.282 0.000 2.475 167 N HA 0.038 4.773 4.740 -0.007 0.000 0.267 167 N C -0.753 174.987 175.510 0.383 0.000 1.169 167 N CA -0.462 52.732 53.050 0.239 0.000 0.947 167 N CB 0.518 39.135 38.487 0.217 0.000 1.061 167 N HN 0.684 nan 8.380 nan 0.000 0.466 168 Q N 2.776 122.771 119.800 0.325 0.000 2.296 168 Q HA 0.151 4.487 4.340 -0.007 0.000 0.257 168 Q C -1.006 175.167 176.000 0.288 0.000 0.942 168 Q CA -0.491 55.551 55.803 0.398 0.000 0.939 168 Q CB 0.569 29.538 28.738 0.385 0.000 1.198 168 Q HN 0.310 nan 8.270 nan 0.000 0.429 169 K N 4.251 124.798 120.400 0.244 0.000 2.164 169 K HA 0.463 4.779 4.320 -0.007 0.000 0.258 169 K C -0.495 176.203 176.600 0.165 0.000 0.951 169 K CA -0.809 55.594 56.287 0.194 0.000 0.844 169 K CB 1.494 34.086 32.500 0.153 0.000 1.099 169 K HN 0.614 nan 8.250 nan 0.000 0.435 170 I N 2.624 123.283 120.570 0.148 0.000 2.312 170 I HA 0.224 4.390 4.170 -0.007 0.000 0.290 170 I C -0.333 175.840 176.117 0.094 0.000 1.008 170 I CA -0.614 60.742 61.300 0.093 0.000 1.226 170 I CB 0.650 38.683 38.000 0.055 0.000 1.371 170 I HN 0.405 nan 8.210 nan 0.000 0.468 171 C N 3.748 123.113 119.300 0.108 0.000 2.397 171 C HA 0.579 5.035 4.460 -0.007 0.000 0.325 171 C C 1.079 176.174 174.990 0.174 0.000 1.201 171 C CA -0.517 58.571 59.018 0.117 0.000 1.377 171 C CB 0.754 28.555 27.740 0.101 0.000 2.038 171 C HN 1.089 nan 8.230 nan 0.000 0.457 172 G N 2.148 111.028 108.800 0.133 0.000 2.203 172 G HA2 0.122 4.078 3.960 -0.007 0.000 0.263 172 G HA3 0.122 4.078 3.960 -0.007 0.000 0.263 172 G C 1.101 176.048 174.900 0.078 0.000 1.012 172 G CA 1.098 46.295 45.100 0.162 0.000 0.749 172 G HN 2.506 nan 8.290 nan 0.000 0.512 173 G N -3.059 105.719 108.800 -0.038 0.000 2.176 173 G HA2 -0.267 3.689 3.960 -0.007 0.000 0.253 173 G HA3 -0.267 3.689 3.960 -0.007 0.000 0.253 173 G C 0.268 174.927 174.900 -0.401 0.000 0.979 173 G CA 0.622 45.570 45.100 -0.252 0.000 0.641 173 G HN 1.209 nan 8.290 nan 0.000 0.530 174 W N 0.531 121.771 121.300 -0.101 0.000 2.627 174 W HA 0.673 5.328 4.660 -0.007 0.000 0.339 174 W C 0.556 177.010 176.519 -0.109 0.000 1.058 174 W CA -0.997 56.279 57.345 -0.115 0.000 1.223 174 W CB 0.903 30.316 29.460 -0.079 0.000 1.389 174 W HN 0.236 nan 8.180 nan 0.000 0.541 175 Q N 3.007 122.888 119.800 0.135 0.000 2.311 175 Q HA 0.211 4.547 4.340 -0.007 0.000 0.272 175 Q C -0.611 175.445 176.000 0.093 0.000 1.012 175 Q CA 0.295 56.155 55.803 0.097 0.000 0.891 175 Q CB 0.525 29.315 28.738 0.087 0.000 1.201 175 Q HN 0.313 nan 8.270 nan 0.000 0.391 176 M N 3.276 122.927 119.600 0.086 0.000 2.393 176 M HA 0.367 4.843 4.480 -0.007 0.000 0.316 176 M C -1.153 175.160 176.300 0.022 0.000 1.087 176 M CA -0.669 54.649 55.300 0.030 0.000 0.937 176 M CB 1.793 34.422 32.600 0.049 0.000 1.668 176 M HN 0.600 nan 8.290 nan 0.000 0.438 177 E N 1.855 121.991 120.200 -0.106 0.000 2.175 177 E HA 0.474 4.820 4.350 -0.007 0.000 0.278 177 E C -0.720 175.871 176.600 -0.014 0.000 0.969 177 E CA -0.442 55.861 56.400 -0.162 0.000 0.796 177 E CB 1.503 30.840 29.700 -0.605 0.000 1.104 177 E HN 0.251 nan 8.360 nan 0.000 0.395 178 E N 0.899 121.172 120.200 0.123 0.000 2.288 178 E HA 0.495 4.840 4.350 -0.007 0.000 0.268 178 E C -0.815 175.869 176.600 0.140 0.000 0.885 178 E CA -1.143 55.315 56.400 0.097 0.000 0.767 178 E CB 1.921 31.688 29.700 0.110 0.000 1.220 178 E HN 0.534 nan 8.360 nan 0.000 0.427 179 A N 1.675 124.525 122.820 0.049 0.000 2.546 179 A HA -0.002 4.313 4.320 -0.007 0.000 0.243 179 A C 0.174 177.902 177.584 0.240 0.000 1.063 179 A CA 0.106 52.165 52.037 0.036 0.000 0.757 179 A CB -0.293 18.542 19.000 -0.276 0.000 0.991 179 A HN 0.518 nan 8.150 nan 0.000 0.503 180 D N 1.992 122.610 120.400 0.363 0.000 2.483 180 D HA 0.170 4.805 4.640 -0.007 0.000 0.220 180 D C -0.337 176.315 176.300 0.587 0.000 1.173 180 D CA -0.157 54.081 54.000 0.397 0.000 0.964 180 D CB 0.334 41.308 40.800 0.290 0.000 1.046 180 D HN 0.385 nan 8.370 nan 0.000 0.517 181 D N 4.041 124.740 120.400 0.498 0.000 2.688 181 D HA -0.025 4.611 4.640 -0.007 0.000 0.228 181 D C 1.096 177.550 176.300 0.258 0.000 1.116 181 D CA -0.559 53.684 54.000 0.405 0.000 1.023 181 D CB -0.196 40.803 40.800 0.332 0.000 1.100 181 D HN 0.566 nan 8.370 nan 0.000 0.487 182 W N 1.824 123.176 121.300 0.086 0.000 2.525 182 W HA -0.026 4.629 4.660 -0.007 0.000 0.259 182 W C 0.053 176.627 176.519 0.091 0.000 1.253 182 W CA 0.104 57.510 57.345 0.101 0.000 1.262 182 W CB -0.684 28.838 29.460 0.103 0.000 1.122 182 W HN 0.176 nan 8.180 nan 0.000 0.607 183 L N 1.054 121.947 121.223 -0.550 0.000 2.628 183 L HA 0.222 4.557 4.340 -0.007 0.000 0.229 183 L C 2.678 179.387 176.870 -0.268 0.000 1.137 183 L CA -0.128 54.358 54.840 -0.590 0.000 0.909 183 L CB -0.606 40.953 42.059 -0.833 0.000 1.137 183 L HN -0.118 nan 8.230 nan 0.000 0.470 184 R N 0.704 121.103 120.500 -0.169 0.000 2.112 184 R HA -0.231 4.104 4.340 -0.007 0.000 0.242 184 R C 1.102 177.191 176.300 -0.351 0.000 1.137 184 R CA 2.152 58.093 56.100 -0.264 0.000 0.944 184 R CB -0.150 29.961 30.300 -0.315 0.000 0.857 184 R HN 0.324 nan 8.270 nan 0.000 0.435 185 Y N -0.507 119.818 120.300 0.042 0.000 2.524 185 Y HA 0.352 4.897 4.550 -0.007 0.000 0.266 185 Y C 0.743 176.631 175.900 -0.020 0.000 1.180 185 Y CA 0.330 58.452 58.100 0.037 0.000 1.244 185 Y CB 0.968 39.560 38.460 0.220 0.000 1.125 185 Y HN 0.442 nan 8.280 nan 0.000 0.524 186 G N 1.375 110.212 108.800 0.061 0.000 2.707 186 G HA2 -0.235 3.721 3.960 -0.007 0.000 0.686 186 G HA3 -0.235 3.721 3.960 -0.007 0.000 0.686 186 G C -1.190 173.769 174.900 0.099 0.000 1.315 186 G CA -0.817 44.286 45.100 0.006 0.000 0.832 186 G HN 0.267 nan 8.290 nan 0.000 0.573 187 N N 0.996 119.705 118.700 0.016 0.000 2.524 187 N HA 0.580 5.315 4.740 -0.007 0.000 0.261 187 N C -0.788 174.740 175.510 0.031 0.000 0.998 187 N CA -2.013 51.076 53.050 0.065 0.000 0.915 187 N CB 2.018 40.481 38.487 -0.039 0.000 1.187 187 N HN 0.250 nan 8.380 nan 0.000 0.507 188 P HA 0.058 nan 4.420 nan 0.000 0.241 188 P C 0.507 177.512 177.300 -0.492 0.000 1.191 188 P CA 0.594 63.423 63.100 -0.450 0.000 0.771 188 P CB 0.105 31.234 31.700 -0.952 0.000 0.929 189 W N 1.763 123.083 121.300 0.034 0.000 2.630 189 W HA 0.079 4.734 4.660 -0.007 0.000 0.271 189 W C 1.251 177.801 176.519 0.051 0.000 1.244 189 W CA -0.323 57.028 57.345 0.010 0.000 1.353 189 W CB -0.225 29.239 29.460 0.008 0.000 1.080 189 W HN -0.042 nan 8.180 nan 0.000 0.594 190 E N 1.847 122.230 120.200 0.304 0.000 2.349 190 E HA 0.259 4.604 4.350 -0.007 0.000 0.265 190 E C -0.551 176.224 176.600 0.291 0.000 1.064 190 E CA -0.610 55.974 56.400 0.307 0.000 0.886 190 E CB 1.147 31.049 29.700 0.338 0.000 1.036 190 E HN -0.325 nan 8.360 nan 0.000 0.413 191 K N 1.669 122.264 120.400 0.324 0.000 2.483 191 K HA 0.399 4.714 4.320 -0.007 0.000 0.256 191 K C -1.131 175.507 176.600 0.063 0.000 0.961 191 K CA -0.497 55.920 56.287 0.217 0.000 0.873 191 K CB 1.411 34.071 32.500 0.268 0.000 1.107 191 K HN 0.656 nan 8.250 nan 0.000 0.432 192 A N 4.385 127.147 122.820 -0.096 0.000 2.520 192 A HA 0.281 4.596 4.320 -0.007 0.000 0.245 192 A C -0.248 177.133 177.584 -0.338 0.000 1.072 192 A CA -0.022 51.687 52.037 -0.547 0.000 0.761 192 A CB 0.174 18.860 19.000 -0.524 0.000 1.004 192 A HN 0.667 nan 8.150 nan 0.000 0.499 193 R N 3.460 123.743 120.500 -0.361 0.000 2.868 193 R HA 0.208 4.543 4.340 -0.007 0.000 0.289 193 R C -2.352 173.813 176.300 -0.226 0.000 1.443 193 R CA -1.737 54.228 56.100 -0.225 0.000 1.651 193 R CB 0.713 31.023 30.300 0.018 0.000 1.242 193 R HN 0.573 nan 8.270 nan 0.000 0.621 194 P HA -0.168 nan 4.420 nan 0.000 0.222 194 P C 0.961 178.173 177.300 -0.148 0.000 1.147 194 P CA 1.028 64.043 63.100 -0.142 0.000 0.790 194 P CB 0.382 32.008 31.700 -0.123 0.000 0.780 195 E N 0.321 120.326 120.200 -0.325 0.000 2.265 195 E HA -0.156 4.190 4.350 -0.007 0.000 0.196 195 E C 0.981 177.412 176.600 -0.283 0.000 0.996 195 E CA 0.933 57.093 56.400 -0.399 0.000 0.832 195 E CB -1.089 28.220 29.700 -0.652 0.000 0.756 195 E HN 0.379 nan 8.360 nan 0.000 0.491 196 F N 1.826 121.792 119.950 0.026 0.000 2.684 196 F HA 0.225 4.748 4.527 -0.008 0.000 0.298 196 F C 0.508 176.401 175.800 0.156 0.000 1.120 196 F CA -0.691 57.353 58.000 0.073 0.000 1.332 196 F CB 0.561 39.596 39.000 0.057 0.000 0.986 196 F HN -0.279 nan 8.300 nan 0.000 0.524 197 T N 3.162 117.864 114.554 0.246 0.000 2.928 197 T HA 0.298 4.643 4.350 -0.007 0.000 0.305 197 T C -0.036 174.771 174.700 0.178 0.000 1.035 197 T CA 0.418 62.660 62.100 0.237 0.000 1.145 197 T CB 0.684 69.641 68.868 0.147 0.000 0.963 197 T HN 0.081 nan 8.240 nan 0.000 0.545 198 L N 5.141 126.433 121.223 0.114 0.000 2.370 198 L HA 0.525 4.861 4.340 -0.007 0.000 0.266 198 L C -2.269 174.544 176.870 -0.096 0.000 1.002 198 L CA -2.625 52.204 54.840 -0.018 0.000 0.818 198 L CB 2.395 44.382 42.059 -0.120 0.000 1.325 198 L HN 0.393 nan 8.230 nan 0.000 0.418 199 P HA 0.243 nan 4.420 nan 0.000 0.285 199 P C -1.060 176.073 177.300 -0.279 0.000 1.259 199 P CA -0.325 62.664 63.100 -0.185 0.000 0.794 199 P CB 1.796 33.384 31.700 -0.187 0.000 0.940 200 V N 4.411 124.140 119.914 -0.308 0.000 2.555 200 V HA 0.330 4.445 4.120 -0.007 0.000 0.302 200 V C 0.255 176.064 176.094 -0.474 0.000 1.038 200 V CA -0.608 61.489 62.300 -0.339 0.000 0.887 200 V CB 1.366 33.033 31.823 -0.260 0.000 0.991 200 V HN 0.599 nan 8.190 nan 0.000 0.434 201 H N 3.800 122.646 119.070 -0.374 0.000 2.472 201 H HA 0.603 5.154 4.556 -0.008 0.000 0.338 201 H C -1.277 173.676 175.328 -0.625 0.000 1.133 201 H CA -0.152 55.591 56.048 -0.508 0.000 1.216 201 H CB 1.887 31.140 29.762 -0.849 0.000 1.497 201 H HN 0.480 nan 8.280 nan 0.000 0.500 202 F N 0.551 120.517 119.950 0.026 0.000 2.603 202 F HA 0.215 4.738 4.527 -0.008 0.000 0.317 202 F C -0.217 175.679 175.800 0.160 0.000 1.066 202 F CA -0.536 57.493 58.000 0.050 0.000 0.941 202 F CB 1.129 40.082 39.000 -0.077 0.000 1.291 202 F HN 0.556 nan 8.300 nan 0.000 0.472 203 Y N 0.228 120.814 120.300 0.476 0.000 2.904 203 Y HA -0.023 4.522 4.550 -0.007 0.000 0.466 203 Y C 1.366 177.516 175.900 0.416 0.000 1.202 203 Y CA 0.665 58.971 58.100 0.343 0.000 2.492 203 Y CB -1.904 36.686 38.460 0.218 0.000 1.237 203 Y HN 1.259 nan 8.280 nan 0.000 0.633 204 G N 0.666 109.745 108.800 0.466 0.000 2.598 204 G HA2 0.088 4.043 3.960 -0.007 0.000 0.244 204 G HA3 0.088 4.043 3.960 -0.007 0.000 0.244 204 G C -0.551 174.572 174.900 0.371 0.000 1.302 204 G CA 1.000 46.303 45.100 0.338 0.000 0.903 204 G HN 1.364 nan 8.290 nan 0.000 0.575 205 R N -2.563 118.157 120.500 0.367 0.000 2.733 205 R HA 0.694 5.030 4.340 -0.007 0.000 0.272 205 R C -1.337 175.113 176.300 0.249 0.000 1.029 205 R CA -1.001 55.253 56.100 0.256 0.000 0.888 205 R CB 1.314 31.711 30.300 0.163 0.000 1.251 205 R HN 0.886 nan 8.270 nan 0.000 0.464 206 V N 1.021 120.998 119.914 0.104 0.000 2.394 206 V HA 0.326 4.442 4.120 -0.007 0.000 0.282 206 V C -0.186 175.874 176.094 -0.057 0.000 1.031 206 V CA -0.593 61.688 62.300 -0.031 0.000 0.881 206 V CB 1.343 33.058 31.823 -0.180 0.000 0.982 206 V HN 0.669 nan 8.190 nan 0.000 0.451 207 E N 3.709 123.854 120.200 -0.092 0.000 2.133 207 E HA 0.375 4.720 4.350 -0.007 0.000 0.274 207 E C -0.879 175.625 176.600 -0.160 0.000 0.930 207 E CA -0.578 55.792 56.400 -0.049 0.000 0.770 207 E CB 0.983 30.685 29.700 0.004 0.000 1.104 207 E HN 0.689 nan 8.360 nan 0.000 0.403 208 H N 2.824 121.909 119.070 0.024 0.000 2.640 208 H HA 0.180 4.731 4.556 -0.007 0.000 0.297 208 H C 0.428 175.764 175.328 0.014 0.000 1.073 208 H CA -0.183 55.874 56.048 0.015 0.000 1.305 208 H CB 0.993 30.758 29.762 0.006 0.000 1.404 208 H HN 0.618 nan 8.280 nan 0.000 0.459 209 T N -1.346 113.264 114.554 0.093 0.000 2.541 209 T HA 0.107 4.452 4.350 -0.007 0.000 0.222 209 T C 1.616 176.344 174.700 0.048 0.000 0.819 209 T CA -0.017 62.118 62.100 0.060 0.000 1.203 209 T CB 0.786 69.675 68.868 0.036 0.000 1.640 209 T HN 0.351 nan 8.240 nan 0.000 0.507 210 S N -0.094 115.626 115.700 0.033 0.000 2.338 210 S HA -0.117 4.348 4.470 -0.007 0.000 0.218 210 S C 2.021 176.637 174.600 0.027 0.000 1.032 210 S CA 1.231 59.448 58.200 0.027 0.000 0.999 210 S CB -0.858 62.355 63.200 0.022 0.000 0.905 210 S HN 0.589 nan 8.310 nan 0.000 0.439 211 Q N 0.421 120.235 119.800 0.024 0.000 2.311 211 Q HA 0.242 4.577 4.340 -0.007 0.000 0.203 211 Q C 1.236 177.253 176.000 0.028 0.000 0.954 211 Q CA 0.862 56.679 55.803 0.023 0.000 0.885 211 Q CB 0.333 29.081 28.738 0.016 0.000 0.963 211 Q HN 0.676 nan 8.270 nan 0.000 0.471 212 G N -0.074 108.746 108.800 0.034 0.000 2.247 212 G HA2 0.164 4.119 3.960 -0.007 0.000 0.229 212 G HA3 0.164 4.119 3.960 -0.007 0.000 0.229 212 G C -1.454 173.463 174.900 0.028 0.000 1.345 212 G CA -0.486 44.643 45.100 0.048 0.000 1.100 212 G HN 0.307 nan 8.290 nan 0.000 0.473 213 A N 0.004 122.826 122.820 0.003 0.000 2.371 213 A HA 0.704 5.020 4.320 -0.007 0.000 0.257 213 A C 0.253 177.778 177.584 -0.099 0.000 1.089 213 A CA 0.812 52.766 52.037 -0.138 0.000 0.794 213 A CB 0.700 19.595 19.000 -0.176 0.000 1.029 213 A HN 0.897 nan 8.150 nan 0.000 0.488 214 K N 1.484 121.813 120.400 -0.120 0.000 2.535 214 K HA 0.251 4.567 4.320 -0.007 0.000 0.250 214 K C -1.966 174.664 176.600 0.049 0.000 0.948 214 K CA -0.483 55.789 56.287 -0.025 0.000 0.796 214 K CB 1.232 33.723 32.500 -0.016 0.000 1.216 214 K HN 0.738 nan 8.250 nan 0.000 0.432 215 W N 6.414 127.630 121.300 -0.140 0.000 2.342 215 W HA 0.343 4.998 4.660 -0.008 0.000 0.310 215 W C -0.769 175.686 176.519 -0.107 0.000 1.128 215 W CA -0.632 56.639 57.345 -0.124 0.000 1.322 215 W CB 0.152 29.530 29.460 -0.137 0.000 1.251 215 W HN 0.275 nan 8.180 nan 0.000 0.439 216 V N 2.740 122.721 119.914 0.112 0.000 3.126 216 V HA 0.609 4.724 4.120 -0.007 0.000 0.314 216 V C -0.145 175.938 176.094 -0.017 0.000 1.138 216 V CA -0.958 61.328 62.300 -0.023 0.000 1.034 216 V CB 1.981 33.816 31.823 0.020 0.000 1.075 216 V HN 0.465 nan 8.190 nan 0.000 0.442 217 D N -0.077 120.311 120.400 -0.021 0.000 2.911 217 D HA -0.145 4.490 4.640 -0.007 0.000 0.227 217 D C 0.587 176.901 176.300 0.023 0.000 1.164 217 D CA 1.553 55.564 54.000 0.018 0.000 0.782 217 D CB -1.843 38.991 40.800 0.057 0.000 1.094 217 D HN 1.317 nan 8.370 nan 0.000 0.425 218 T N -2.678 111.837 114.554 -0.065 0.000 2.868 218 T HA 0.429 4.774 4.350 -0.007 0.000 0.292 218 T C 0.458 175.200 174.700 0.069 0.000 1.028 218 T CA -0.658 61.409 62.100 -0.056 0.000 1.059 218 T CB 1.658 70.329 68.868 -0.327 0.000 0.991 218 T HN 0.058 nan 8.240 nan 0.000 0.531 219 Q N 0.727 120.627 119.800 0.167 0.000 2.257 219 Q HA 0.549 4.884 4.340 -0.007 0.000 0.255 219 Q C -0.876 175.209 176.000 0.142 0.000 0.920 219 Q CA -0.859 55.053 55.803 0.182 0.000 0.927 219 Q CB 1.838 30.751 28.738 0.292 0.000 1.229 219 Q HN 0.508 nan 8.270 nan 0.000 0.433 220 V N 3.267 123.207 119.914 0.044 0.000 2.439 220 V HA 0.357 4.473 4.120 -0.007 0.000 0.282 220 V C -0.245 175.889 176.094 0.066 0.000 1.039 220 V CA -0.602 61.648 62.300 -0.082 0.000 0.913 220 V CB 1.636 33.350 31.823 -0.182 0.000 0.983 220 V HN 0.493 nan 8.190 nan 0.000 0.460 221 V N 6.090 126.081 119.914 0.128 0.000 2.487 221 V HA 0.453 4.569 4.120 -0.007 0.000 0.298 221 V C -0.098 176.110 176.094 0.189 0.000 1.028 221 V CA -0.612 61.817 62.300 0.216 0.000 0.860 221 V CB 1.782 33.837 31.823 0.387 0.000 0.991 221 V HN 0.632 nan 8.190 nan 0.000 0.427 222 L N 3.699 125.026 121.223 0.174 0.000 2.371 222 L HA 0.679 5.014 4.340 -0.007 0.000 0.272 222 L C 0.556 177.623 176.870 0.327 0.000 1.124 222 L CA -0.223 54.714 54.840 0.163 0.000 0.816 222 L CB 1.131 43.265 42.059 0.125 0.000 1.129 222 L HN 0.757 nan 8.230 nan 0.000 0.448 223 A N 5.169 128.108 122.820 0.198 0.000 2.277 223 A HA 0.530 4.846 4.320 -0.007 0.000 0.318 223 A C -0.407 177.451 177.584 0.457 0.000 1.339 223 A CA -0.484 51.698 52.037 0.243 0.000 0.875 223 A CB 0.791 19.429 19.000 -0.603 0.000 1.158 223 A HN 0.788 nan 8.150 nan 0.000 0.514 224 M N 6.176 126.103 119.600 0.545 0.000 2.113 224 M HA 0.408 4.883 4.480 -0.007 0.000 0.352 224 M C -2.515 174.081 176.300 0.492 0.000 1.170 224 M CA -2.066 53.501 55.300 0.445 0.000 1.053 224 M CB 1.596 34.382 32.600 0.310 0.000 1.601 224 M HN 0.333 nan 8.290 nan 0.000 0.459 225 P HA 0.193 nan 4.420 nan 0.000 0.279 225 P C -1.917 175.362 177.300 -0.036 0.000 1.239 225 P CA 0.068 63.125 63.100 -0.072 0.000 0.789 225 P CB 0.434 31.929 31.700 -0.342 0.000 0.933 226 Y N 0.817 121.069 120.300 -0.079 0.000 2.331 226 Y HA 0.317 4.862 4.550 -0.008 0.000 0.334 226 Y C 0.234 176.125 175.900 -0.014 0.000 0.960 226 Y CA -0.309 57.795 58.100 0.007 0.000 1.130 226 Y CB 1.299 39.794 38.460 0.059 0.000 1.164 226 Y HN 0.223 nan 8.280 nan 0.000 0.458 227 D N 1.995 122.506 120.400 0.185 0.000 2.193 227 D HA 0.392 5.028 4.640 -0.007 0.000 0.244 227 D C -0.596 175.938 176.300 0.390 0.000 1.064 227 D CA -0.226 53.920 54.000 0.244 0.000 0.845 227 D CB 1.737 42.700 40.800 0.273 0.000 1.148 227 D HN 0.367 nan 8.370 nan 0.000 0.464 228 T N 3.338 118.029 114.554 0.228 0.000 2.807 228 T HA 0.446 4.791 4.350 -0.007 0.000 0.279 228 T C -2.507 172.058 174.700 -0.225 0.000 0.993 228 T CA -1.508 60.620 62.100 0.047 0.000 0.970 228 T CB 1.956 70.846 68.868 0.037 0.000 0.950 228 T HN 0.153 nan 8.240 nan 0.000 0.441 229 P HA 0.241 nan 4.420 nan 0.000 0.271 229 P C -0.931 176.072 177.300 -0.495 0.000 1.216 229 P CA -0.308 62.151 63.100 -1.068 0.000 0.776 229 P CB 0.697 31.595 31.700 -1.336 0.000 0.881 230 V N 5.397 125.087 119.914 -0.373 0.000 2.327 230 V HA 0.251 4.366 4.120 -0.007 0.000 0.272 230 V C -2.087 173.900 176.094 -0.178 0.000 1.019 230 V CA -1.868 60.300 62.300 -0.221 0.000 0.814 230 V CB 1.391 33.129 31.823 -0.142 0.000 1.040 230 V HN 0.534 nan 8.190 nan 0.000 0.440 231 P HA 0.263 nan 4.420 nan 0.000 0.281 231 P C 0.386 177.648 177.300 -0.063 0.000 1.252 231 P CA 0.307 63.335 63.100 -0.121 0.000 0.778 231 P CB 1.576 33.198 31.700 -0.130 0.000 0.895 232 G N 2.355 111.135 108.800 -0.034 0.000 2.572 232 G HA2 0.107 4.063 3.960 -0.007 0.000 0.261 232 G HA3 0.107 4.063 3.960 -0.007 0.000 0.261 232 G C -1.112 173.807 174.900 0.032 0.000 1.197 232 G CA -0.568 44.539 45.100 0.011 0.000 0.870 232 G HN 0.510 nan 8.290 nan 0.000 0.548 233 Y N 1.095 121.362 120.300 -0.054 0.000 2.640 233 Y HA 0.217 4.762 4.550 -0.008 0.000 0.355 233 Y C 1.342 177.208 175.900 -0.056 0.000 1.088 233 Y CA -0.098 57.965 58.100 -0.062 0.000 1.443 233 Y CB -0.160 38.261 38.460 -0.065 0.000 1.224 233 Y HN 0.741 nan 8.280 nan 0.000 0.516 234 R N 2.889 123.118 120.500 -0.451 0.000 3.627 234 R HA -0.322 4.014 4.340 -0.007 0.000 0.281 234 R C 0.090 176.262 176.300 -0.214 0.000 1.140 234 R CA 1.327 57.174 56.100 -0.420 0.000 0.761 234 R CB -2.072 27.813 30.300 -0.692 0.000 1.181 234 R HN 0.940 nan 8.270 nan 0.000 0.472 235 N N -0.713 117.911 118.700 -0.127 0.000 2.177 235 N HA 0.048 4.784 4.740 -0.007 0.000 0.218 235 N C -0.100 175.367 175.510 -0.072 0.000 1.182 235 N CA -0.500 52.505 53.050 -0.075 0.000 0.882 235 N CB 0.482 38.949 38.487 -0.033 0.000 1.052 235 N HN 0.089 nan 8.380 nan 0.000 0.519 236 N N -0.202 118.452 118.700 -0.078 0.000 2.753 236 N HA -0.135 4.600 4.740 -0.007 0.000 0.251 236 N C -1.002 174.472 175.510 -0.061 0.000 1.097 236 N CA 0.638 53.650 53.050 -0.064 0.000 0.786 236 N CB -1.326 37.124 38.487 -0.063 0.000 1.137 236 N HN 0.204 nan 8.380 nan 0.000 0.566 237 V N 1.106 120.989 119.914 -0.052 0.000 2.432 237 V HA 0.424 4.540 4.120 -0.007 0.000 0.275 237 V C 0.605 176.685 176.094 -0.024 0.000 1.043 237 V CA -0.515 61.763 62.300 -0.035 0.000 0.925 237 V CB 2.120 33.945 31.823 0.004 0.000 0.985 237 V HN -0.039 nan 8.190 nan 0.000 0.466 238 V N 5.470 125.384 119.914 -0.001 0.000 2.419 238 V HA 0.432 4.548 4.120 -0.007 0.000 0.287 238 V C -0.059 176.085 176.094 0.083 0.000 1.017 238 V CA -0.806 61.483 62.300 -0.018 0.000 0.844 238 V CB 1.376 33.171 31.823 -0.048 0.000 1.011 238 V HN 0.842 nan 8.190 nan 0.000 0.429 239 N N 2.040 120.751 118.700 0.019 0.000 2.418 239 N HA 0.565 5.300 4.740 -0.007 0.000 0.283 239 N C -0.041 175.517 175.510 0.079 0.000 1.267 239 N CA -0.286 52.795 53.050 0.052 0.000 0.975 239 N CB 1.043 39.495 38.487 -0.060 0.000 1.167 239 N HN 0.574 nan 8.380 nan 0.000 0.581 240 T N 0.704 115.299 114.554 0.069 0.000 2.848 240 T HA 0.374 4.719 4.350 -0.007 0.000 0.285 240 T C -0.360 174.333 174.700 -0.012 0.000 0.995 240 T CA -0.507 61.703 62.100 0.184 0.000 0.970 240 T CB 1.149 70.250 68.868 0.388 0.000 0.976 240 T HN 0.288 nan 8.240 nan 0.000 0.441 241 M N 3.762 123.315 119.600 -0.078 0.000 2.088 241 M HA 0.498 4.974 4.480 -0.007 0.000 0.346 241 M C -0.395 175.755 176.300 -0.249 0.000 1.111 241 M CA -0.727 54.427 55.300 -0.243 0.000 1.017 241 M CB 0.675 33.075 32.600 -0.334 0.000 1.568 241 M HN 0.492 nan 8.290 nan 0.000 0.445 242 R N 5.938 126.163 120.500 -0.459 0.000 2.265 242 R HA 0.616 4.952 4.340 -0.007 0.000 0.328 242 R C -1.943 174.033 176.300 -0.541 0.000 0.969 242 R CA -0.425 55.339 56.100 -0.559 0.000 0.832 242 R CB 0.855 30.604 30.300 -0.919 0.000 1.139 242 R HN 0.810 nan 8.270 nan 0.000 0.457 243 L N 5.144 126.172 121.223 -0.324 0.000 2.341 243 L HA 0.494 4.830 4.340 -0.007 0.000 0.278 243 L C -0.875 175.964 176.870 -0.052 0.000 1.005 243 L CA -0.900 53.856 54.840 -0.140 0.000 0.818 243 L CB 1.560 43.621 42.059 0.003 0.000 1.259 243 L HN 0.603 nan 8.230 nan 0.000 0.418 244 W N 1.924 123.353 121.300 0.215 0.000 2.365 244 W HA 0.462 5.118 4.660 -0.007 0.000 0.316 244 W C 0.535 177.308 176.519 0.424 0.000 1.164 244 W CA -0.256 57.248 57.345 0.266 0.000 1.204 244 W CB 1.564 31.036 29.460 0.020 0.000 1.213 244 W HN 0.343 nan 8.180 nan 0.000 0.539 245 S N 2.240 118.363 115.700 0.705 0.000 2.473 245 S HA 0.745 5.211 4.470 -0.007 0.000 0.307 245 S C -0.322 174.621 174.600 0.572 0.000 1.094 245 S CA -0.727 57.783 58.200 0.517 0.000 1.070 245 S CB 0.557 63.987 63.200 0.385 0.000 1.019 245 S HN 0.541 nan 8.310 nan 0.000 0.480 246 A N 5.199 128.185 122.820 0.276 0.000 2.450 246 A HA 0.596 4.911 4.320 -0.007 0.000 0.255 246 A C -0.172 177.507 177.584 0.157 0.000 1.096 246 A CA -0.139 51.958 52.037 0.100 0.000 0.778 246 A CB 0.215 19.022 19.000 -0.322 0.000 1.031 246 A HN 0.683 nan 8.150 nan 0.000 0.494 247 K N 1.318 121.835 120.400 0.195 0.000 2.427 247 K HA 0.590 4.906 4.320 -0.007 0.000 0.252 247 K C -0.316 176.352 176.600 0.113 0.000 0.931 247 K CA -0.427 55.948 56.287 0.146 0.000 0.793 247 K CB 2.162 34.761 32.500 0.165 0.000 1.211 247 K HN 0.809 nan 8.250 nan 0.000 0.426 248 A N 4.201 127.068 122.820 0.078 0.000 2.462 248 A HA 0.341 4.656 4.320 -0.007 0.000 0.243 248 A C -1.906 175.714 177.584 0.060 0.000 1.076 248 A CA -0.752 51.323 52.037 0.062 0.000 0.773 248 A CB -0.567 18.458 19.000 0.041 0.000 1.010 248 A HN 0.384 nan 8.150 nan 0.000 0.493 249 P HA 0.061 nan 4.420 nan 0.000 0.270 249 P C -0.127 177.195 177.300 0.037 0.000 1.223 249 P CA -0.142 62.982 63.100 0.039 0.000 0.785 249 P CB 0.455 32.172 31.700 0.027 0.000 0.923 250 N N 0.561 119.280 118.700 0.033 0.000 2.084 250 N HA -0.124 4.612 4.740 -0.007 0.000 0.190 250 N C 0.589 176.120 175.510 0.035 0.000 1.030 250 N CA 1.491 54.561 53.050 0.033 0.000 0.849 250 N CB -0.326 38.179 38.487 0.029 0.000 1.012 250 N HN 0.596 nan 8.380 nan 0.000 0.423 262 Y N 0.757 121.059 120.300 0.005 0.000 2.081 262 Y HA -0.125 4.420 4.550 -0.007 0.000 0.280 262 Y C 2.666 178.570 175.900 0.006 0.000 1.163 262 Y CA 2.456 60.560 58.100 0.005 0.000 1.135 262 Y CB -0.104 38.359 38.460 0.005 0.000 0.970 262 Y HN 0.235 nan 8.280 nan 0.000 0.498 263 I N 0.485 120.943 120.570 -0.186 0.000 2.163 263 I HA -0.300 3.866 4.170 -0.007 0.000 0.243 263 I C 2.414 178.404 176.117 -0.212 0.000 1.085 263 I CA 1.831 62.966 61.300 -0.275 0.000 1.347 263 I CB -1.524 36.443 38.000 -0.056 0.000 1.044 263 I HN 0.339 nan 8.210 nan 0.000 0.408 264 Q N 1.179 120.914 119.800 -0.107 0.000 2.096 264 Q HA -0.139 4.196 4.340 -0.007 0.000 0.204 264 Q C 2.235 178.180 176.000 -0.092 0.000 0.982 264 Q CA 2.317 58.075 55.803 -0.076 0.000 0.850 264 Q CB -0.409 28.308 28.738 -0.035 0.000 0.901 264 Q HN 0.481 nan 8.270 nan 0.000 0.422 265 A N -0.819 121.936 122.820 -0.108 0.000 1.940 265 A HA -0.146 4.169 4.320 -0.007 0.000 0.219 265 A C 2.249 179.756 177.584 -0.128 0.000 1.176 265 A CA 1.730 53.712 52.037 -0.092 0.000 0.631 265 A CB -0.747 18.219 19.000 -0.057 0.000 0.814 265 A HN 0.272 nan 8.150 nan 0.000 0.446 266 V N 0.135 119.906 119.914 -0.238 0.000 2.379 266 V HA -0.212 3.903 4.120 -0.007 0.000 0.245 266 V C 2.518 178.540 176.094 -0.121 0.000 1.044 266 V CA 1.739 63.912 62.300 -0.212 0.000 1.036 266 V CB -0.757 30.857 31.823 -0.349 0.000 0.664 266 V HN 0.566 nan 8.190 nan 0.000 0.453 267 L N -0.179 120.975 121.223 -0.115 0.000 2.083 267 L HA -0.167 4.169 4.340 -0.007 0.000 0.209 267 L C 2.125 178.969 176.870 -0.043 0.000 1.083 267 L CA 1.395 56.195 54.840 -0.066 0.000 0.752 267 L CB -0.748 41.276 42.059 -0.058 0.000 0.899 267 L HN 0.320 nan 8.230 nan 0.000 0.433 268 D N 0.063 120.435 120.400 -0.046 0.000 2.378 268 D HA -0.093 4.543 4.640 -0.007 0.000 0.222 268 D C 2.169 178.459 176.300 -0.015 0.000 0.980 268 D CA 0.511 54.495 54.000 -0.026 0.000 0.907 268 D CB -0.041 40.744 40.800 -0.025 0.000 0.899 268 D HN 0.224 nan 8.370 nan 0.000 0.527 269 R N 0.430 120.918 120.500 -0.019 0.000 2.159 269 R HA -0.091 4.244 4.340 -0.007 0.000 0.237 269 R C 1.580 177.883 176.300 0.006 0.000 1.131 269 R CA 0.700 56.799 56.100 -0.002 0.000 0.982 269 R CB -0.108 30.190 30.300 -0.004 0.000 0.868 269 R HN 0.155 nan 8.270 nan 0.000 0.453 270 N N 0.839 119.540 118.700 0.002 0.000 2.205 270 N HA -0.154 4.582 4.740 -0.007 0.000 0.186 270 N C 1.731 177.246 175.510 0.008 0.000 1.015 270 N CA 1.089 54.145 53.050 0.010 0.000 0.862 270 N CB -0.189 38.303 38.487 0.008 0.000 0.986 270 N HN 0.250 nan 8.380 nan 0.000 0.429 271 L N 0.459 121.684 121.223 0.002 0.000 1.994 271 L HA -0.129 4.206 4.340 -0.007 0.000 0.208 271 L C 2.455 179.317 176.870 -0.012 0.000 1.071 271 L CA 1.406 56.245 54.840 -0.002 0.000 0.745 271 L CB -0.635 41.424 42.059 -0.001 0.000 0.892 271 L HN 0.115 nan 8.230 nan 0.000 0.431 272 A N -0.075 122.742 122.820 -0.005 0.000 1.902 272 A HA -0.202 4.113 4.320 -0.007 0.000 0.217 272 A C 2.126 179.687 177.584 -0.039 0.000 1.181 272 A CA 1.613 53.642 52.037 -0.014 0.000 0.623 272 A CB -0.450 18.568 19.000 0.030 0.000 0.818 272 A HN 0.485 nan 8.150 nan 0.000 0.443 273 E N -0.050 120.144 120.200 -0.010 0.000 2.347 273 E HA -0.100 4.246 4.350 -0.007 0.000 0.196 273 E C 1.144 177.739 176.600 -0.008 0.000 1.008 273 E CA 0.387 56.784 56.400 -0.004 0.000 0.852 273 E CB -0.149 29.569 29.700 0.030 0.000 0.783 273 E HN 0.487 nan 8.360 nan 0.000 0.505 274 N N 1.013 119.710 118.700 -0.006 0.000 2.364 274 N HA -0.102 4.633 4.740 -0.007 0.000 0.183 274 N C 1.640 177.148 175.510 -0.003 0.000 1.022 274 N CA 0.626 53.684 53.050 0.014 0.000 0.883 274 N CB -0.068 38.428 38.487 0.014 0.000 0.965 274 N HN 0.254 nan 8.380 nan 0.000 0.438 275 I N 0.484 121.000 120.570 -0.089 0.000 2.194 275 I HA -0.268 3.897 4.170 -0.007 0.000 0.246 275 I C 1.455 177.529 176.117 -0.073 0.000 1.093 275 I CA 1.359 62.570 61.300 -0.148 0.000 1.355 275 I CB -0.224 37.547 38.000 -0.383 0.000 1.046 275 I HN 0.146 nan 8.210 nan 0.000 0.413 276 S N -0.547 115.104 115.700 -0.081 0.000 2.583 276 S HA 0.188 4.653 4.470 -0.007 0.000 0.239 276 S C 1.450 176.172 174.600 0.204 0.000 0.966 276 S CA -0.546 57.689 58.200 0.058 0.000 0.973 276 S CB 0.284 63.499 63.200 0.025 0.000 0.794 276 S HN 0.197 nan 8.310 nan 0.000 0.463 277 R N 1.336 121.959 120.500 0.204 0.000 2.062 277 R HA 0.260 4.595 4.340 -0.007 0.000 0.229 277 R C 0.412 176.958 176.300 0.410 0.000 1.128 277 R CA 1.242 57.508 56.100 0.276 0.000 0.960 277 R CB -0.292 30.139 30.300 0.218 0.000 0.855 277 R HN 0.410 nan 8.270 nan 0.000 0.432 278 V N 0.382 120.485 119.914 0.315 0.000 2.851 278 V HA 0.338 4.453 4.120 -0.007 0.000 0.307 278 V C -1.536 174.471 176.094 -0.145 0.000 1.129 278 V CA -1.404 61.001 62.300 0.175 0.000 0.932 278 V CB 1.718 33.586 31.823 0.074 0.000 1.024 278 V HN 0.165 nan 8.190 nan 0.000 0.426 279 L N 7.004 127.890 121.223 -0.563 0.000 2.462 279 L HA 0.385 4.720 4.340 -0.007 0.000 0.272 279 L C -0.752 175.912 176.870 -0.343 0.000 1.166 279 L CA 0.591 54.873 54.840 -0.929 0.000 0.880 279 L CB 0.183 41.690 42.059 -0.921 0.000 1.142 279 L HN 0.683 nan 8.230 nan 0.000 0.473 280 Y N 7.438 127.638 120.300 -0.166 0.000 2.605 280 Y HA 0.162 4.707 4.550 -0.008 0.000 0.336 280 Y C -1.200 174.690 175.900 -0.017 0.000 1.111 280 Y CA -0.920 57.162 58.100 -0.031 0.000 1.422 280 Y CB 0.394 38.866 38.460 0.019 0.000 1.193 280 Y HN 0.615 nan 8.280 nan 0.000 0.526 281 P HA -0.071 nan 4.420 nan 0.000 0.249 281 P C -0.148 177.282 177.300 0.217 0.000 1.229 281 P CA 0.463 63.677 63.100 0.191 0.000 0.788 281 P CB 0.385 32.296 31.700 0.351 0.000 1.072 282 N N 2.356 121.193 118.700 0.228 0.000 2.415 282 N HA 0.010 4.746 4.740 -0.007 0.000 0.246 282 N C 0.160 175.792 175.510 0.205 0.000 1.078 282 N CA 0.125 53.308 53.050 0.221 0.000 0.942 282 N CB 0.350 38.972 38.487 0.224 0.000 1.140 282 N HN 0.022 nan 8.380 nan 0.000 0.501 283 D N 1.830 122.377 120.400 0.246 0.000 2.424 283 D HA 0.028 4.663 4.640 -0.007 0.000 0.220 283 D C 0.148 176.662 176.300 0.356 0.000 1.150 283 D CA -0.145 54.013 54.000 0.263 0.000 0.831 283 D CB -0.144 40.807 40.800 0.252 0.000 0.981 283 D HN 0.559 nan 8.370 nan 0.000 0.500 284 N N -0.715 118.202 118.700 0.362 0.000 2.067 284 N HA 0.130 4.865 4.740 -0.007 0.000 0.227 284 N C -0.829 174.862 175.510 0.301 0.000 1.348 284 N CA -0.530 52.747 53.050 0.379 0.000 0.879 284 N CB 0.181 39.016 38.487 0.579 0.000 1.109 284 N HN 0.084 nan 8.380 nan 0.000 0.501 285 F N 1.153 121.146 119.950 0.072 0.000 2.585 285 F HA 0.479 5.002 4.527 -0.008 0.000 0.319 285 F C -1.340 174.488 175.800 0.047 0.000 1.165 285 F CA -1.845 56.169 58.000 0.023 0.000 0.949 285 F CB 1.179 40.131 39.000 -0.079 0.000 1.218 285 F HN -0.059 nan 8.300 nan 0.000 0.453 286 F N 6.120 125.675 119.950 -0.659 0.000 2.533 286 F HA 0.237 4.759 4.527 -0.008 0.000 0.378 286 F C 0.066 175.433 175.800 -0.722 0.000 1.070 286 F CA 0.239 57.883 58.000 -0.594 0.000 1.172 286 F CB 0.330 39.009 39.000 -0.535 0.000 1.085 286 F HN 0.578 nan 8.300 nan 0.000 0.552 287 E N 4.549 124.152 120.200 -0.994 0.000 2.102 287 E HA 0.250 4.595 4.350 -0.007 0.000 0.263 287 E C 0.303 176.173 176.600 -1.218 0.000 0.894 287 E CA -0.576 55.348 56.400 -0.794 0.000 0.746 287 E CB 1.077 30.602 29.700 -0.293 0.000 1.129 287 E HN 0.905 nan 8.360 nan 0.000 0.416 288 G N 5.157 113.163 108.800 -1.324 0.000 3.263 288 G HA2 -0.046 3.909 3.960 -0.007 0.000 0.246 288 G HA3 -0.046 3.909 3.960 -0.007 0.000 0.246 288 G C 0.159 174.994 174.900 -0.109 0.000 0.982 288 G CA -0.171 44.354 45.100 -0.959 0.000 1.897 288 G HN 0.232 nan 8.290 nan 0.000 0.624 289 K N 0.711 121.046 120.400 -0.107 0.000 2.322 289 K HA 0.080 4.396 4.320 -0.007 0.000 0.283 289 K C 1.096 177.803 176.600 0.178 0.000 1.042 289 K CA -0.328 55.979 56.287 0.034 0.000 0.958 289 K CB 1.793 34.242 32.500 -0.085 0.000 0.984 289 K HN 0.487 nan 8.250 nan 0.000 0.473 290 E N 2.317 122.600 120.200 0.138 0.000 2.118 290 E HA -0.222 4.124 4.350 -0.007 0.000 0.195 290 E C 1.485 178.097 176.600 0.020 0.000 0.992 290 E CA 0.955 57.389 56.400 0.057 0.000 0.804 290 E CB 0.174 29.914 29.700 0.067 0.000 0.741 290 E HN 0.420 nan 8.360 nan 0.000 0.458 291 L N 1.220 122.503 121.223 0.100 0.000 2.083 291 L HA -0.162 4.174 4.340 -0.007 0.000 0.209 291 L C 2.461 179.451 176.870 0.199 0.000 1.083 291 L CA 1.730 56.657 54.840 0.145 0.000 0.752 291 L CB -0.492 41.721 42.059 0.256 0.000 0.899 291 L HN 0.008 nan 8.230 nan 0.000 0.433 292 R N -0.555 120.036 120.500 0.152 0.000 2.081 292 R HA -0.168 4.168 4.340 -0.007 0.000 0.235 292 R C 2.117 178.498 176.300 0.136 0.000 1.131 292 R CA 1.884 58.054 56.100 0.117 0.000 0.960 292 R CB -1.088 29.099 30.300 -0.189 0.000 0.856 292 R HN 0.394 nan 8.270 nan 0.000 0.436 293 L N 0.972 122.154 121.223 -0.067 0.000 2.042 293 L HA -0.120 4.216 4.340 -0.007 0.000 0.210 293 L C 1.732 178.548 176.870 -0.090 0.000 1.076 293 L CA 1.949 56.538 54.840 -0.419 0.000 0.749 293 L CB -0.438 41.048 42.059 -0.955 0.000 0.893 293 L HN 0.180 nan 8.230 nan 0.000 0.432 294 K N -1.078 119.307 120.400 -0.026 0.000 2.057 294 K HA -0.198 4.118 4.320 -0.007 0.000 0.207 294 K C 2.099 178.868 176.600 0.282 0.000 1.049 294 K CA 1.753 58.085 56.287 0.074 0.000 0.931 294 K CB -0.215 32.116 32.500 -0.283 0.000 0.714 294 K HN 0.493 nan 8.250 nan 0.000 0.440 295 Q N 0.714 120.651 119.800 0.227 0.000 2.061 295 Q HA -0.207 4.129 4.340 -0.007 0.000 0.204 295 Q C 1.988 178.210 176.000 0.369 0.000 0.984 295 Q CA 1.594 57.589 55.803 0.321 0.000 0.846 295 Q CB -0.031 28.922 28.738 0.359 0.000 0.902 295 Q HN 0.383 nan 8.270 nan 0.000 0.421 296 E N -0.278 120.098 120.200 0.293 0.000 2.051 296 E HA -0.212 4.133 4.350 -0.007 0.000 0.192 296 E C 1.752 178.489 176.600 0.229 0.000 0.991 296 E CA 1.061 57.618 56.400 0.261 0.000 0.799 296 E CB -0.173 29.665 29.700 0.231 0.000 0.748 296 E HN 0.327 nan 8.360 nan 0.000 0.449 297 Y N 0.456 120.824 120.300 0.112 0.000 2.242 297 Y HA -0.234 4.312 4.550 -0.007 0.000 0.291 297 Y C 1.966 177.918 175.900 0.088 0.000 1.137 297 Y CA 1.112 59.236 58.100 0.040 0.000 1.181 297 Y CB -0.324 38.126 38.460 -0.017 0.000 0.989 297 Y HN 0.023 nan 8.280 nan 0.000 0.527 298 F N -0.158 119.816 119.950 0.040 0.000 2.065 298 F HA -0.288 4.234 4.527 -0.008 0.000 0.298 298 F C 2.206 177.874 175.800 -0.219 0.000 1.112 298 F CA 2.197 60.167 58.000 -0.049 0.000 1.212 298 F CB -0.942 38.170 39.000 0.187 0.000 0.975 298 F HN -0.113 nan 8.300 nan 0.000 0.476 299 V N -0.372 119.529 119.914 -0.021 0.000 2.287 299 V HA -0.317 3.798 4.120 -0.007 0.000 0.248 299 V C 2.439 178.417 176.094 -0.193 0.000 1.053 299 V CA 1.734 64.016 62.300 -0.030 0.000 1.027 299 V CB -0.960 31.018 31.823 0.258 0.000 0.646 299 V HN 0.303 nan 8.190 nan 0.000 0.447 300 V N 0.161 119.965 119.914 -0.184 0.000 2.255 300 V HA -0.291 3.824 4.120 -0.007 0.000 0.247 300 V C 2.697 178.545 176.094 -0.410 0.000 1.051 300 V CA 2.281 64.448 62.300 -0.223 0.000 1.018 300 V CB -1.107 30.640 31.823 -0.127 0.000 0.641 300 V HN 0.573 nan 8.190 nan 0.000 0.445 301 A N -0.311 122.080 122.820 -0.716 0.000 1.873 301 A HA -0.089 4.226 4.320 -0.007 0.000 0.215 301 A C 2.404 179.629 177.584 -0.599 0.000 1.186 301 A CA 2.140 53.755 52.037 -0.703 0.000 0.616 301 A CB -0.851 17.526 19.000 -1.038 0.000 0.823 301 A HN 0.576 nan 8.150 nan 0.000 0.442 302 A N -1.041 121.259 122.820 -0.867 0.000 1.873 302 A HA -0.068 4.248 4.320 -0.007 0.000 0.215 302 A C 2.316 179.462 177.584 -0.731 0.000 1.186 302 A CA 2.295 53.634 52.037 -1.163 0.000 0.616 302 A CB -1.344 16.253 19.000 -2.338 0.000 0.823 302 A HN 0.425 nan 8.150 nan 0.000 0.442 303 T N 0.326 114.605 114.554 -0.459 0.000 2.684 303 T HA -0.141 4.205 4.350 -0.007 0.000 0.267 303 T C 1.717 176.179 174.700 -0.396 0.000 1.036 303 T CA 1.712 63.657 62.100 -0.258 0.000 1.148 303 T CB -0.352 68.357 68.868 -0.266 0.000 0.863 303 T HN 0.213 nan 8.240 nan 0.000 0.436 304 L N 1.020 122.046 121.223 -0.328 0.000 2.201 304 L HA -0.019 4.317 4.340 -0.007 0.000 0.212 304 L C 2.626 179.386 176.870 -0.183 0.000 1.105 304 L CA 1.456 56.143 54.840 -0.255 0.000 0.775 304 L CB -0.775 41.174 42.059 -0.185 0.000 0.913 304 L HN 0.297 nan 8.230 nan 0.000 0.440 305 Q N -0.706 118.984 119.800 -0.183 0.000 2.061 305 Q HA -0.238 4.097 4.340 -0.007 0.000 0.204 305 Q C 1.805 177.778 176.000 -0.046 0.000 0.984 305 Q CA 1.689 57.430 55.803 -0.103 0.000 0.846 305 Q CB -0.148 28.513 28.738 -0.129 0.000 0.902 305 Q HN 0.447 nan 8.270 nan 0.000 0.421 306 D N 0.510 120.888 120.400 -0.037 0.000 2.104 306 D HA -0.146 4.489 4.640 -0.007 0.000 0.194 306 D C 1.792 178.041 176.300 -0.086 0.000 0.994 306 D CA 1.000 55.011 54.000 0.019 0.000 0.830 306 D CB -0.186 40.718 40.800 0.172 0.000 0.959 306 D HN 0.197 nan 8.370 nan 0.000 0.452 307 I N 0.619 121.018 120.570 -0.284 0.000 2.163 307 I HA -0.260 3.905 4.170 -0.007 0.000 0.243 307 I C 2.246 178.382 176.117 0.031 0.000 1.085 307 I CA 0.642 61.717 61.300 -0.374 0.000 1.347 307 I CB -0.156 37.478 38.000 -0.610 0.000 1.044 307 I HN 0.052 nan 8.210 nan 0.000 0.408 308 I N 0.495 121.136 120.570 0.119 0.000 2.179 308 I HA -0.281 3.885 4.170 -0.007 0.000 0.242 308 I C 2.689 178.968 176.117 0.271 0.000 1.088 308 I CA 1.514 62.995 61.300 0.302 0.000 1.357 308 I CB -1.217 36.897 38.000 0.189 0.000 1.051 308 I HN 0.323 nan 8.210 nan 0.000 0.409 309 R N 0.995 121.577 120.500 0.138 0.000 2.083 309 R HA -0.165 4.171 4.340 -0.007 0.000 0.237 309 R C 2.474 178.828 176.300 0.090 0.000 1.137 309 R CA 1.429 57.587 56.100 0.097 0.000 0.951 309 R CB -0.104 30.227 30.300 0.051 0.000 0.851 309 R HN 0.270 nan 8.270 nan 0.000 0.434 310 R N -0.567 119.987 120.500 0.091 0.000 2.096 310 R HA -0.158 4.178 4.340 -0.007 0.000 0.235 310 R C 2.223 178.599 176.300 0.127 0.000 1.127 310 R CA 1.544 57.698 56.100 0.091 0.000 0.968 310 R CB -0.471 29.879 30.300 0.082 0.000 0.861 310 R HN 0.265 nan 8.270 nan 0.000 0.440 311 F N 2.181 122.155 119.950 0.039 0.000 2.134 311 F HA -0.175 4.347 4.527 -0.008 0.000 0.299 311 F C 1.808 177.600 175.800 -0.014 0.000 1.097 311 F CA 1.561 59.574 58.000 0.023 0.000 1.264 311 F CB 0.001 39.078 39.000 0.129 0.000 1.001 311 F HN -0.196 nan 8.300 nan 0.000 0.479 312 K N -0.454 119.884 120.400 -0.103 0.000 2.217 312 K HA 0.005 4.321 4.320 -0.007 0.000 0.202 312 K C 1.166 177.664 176.600 -0.170 0.000 1.051 312 K CA 1.119 57.274 56.287 -0.220 0.000 0.952 312 K CB -0.169 32.313 32.500 -0.031 0.000 0.736 312 K HN 0.090 nan 8.250 nan 0.000 0.453 313 S N 0.617 116.273 115.700 -0.072 0.000 2.596 313 S HA 0.047 4.512 4.470 -0.007 0.000 0.248 313 S C 0.699 175.307 174.600 0.014 0.000 1.162 313 S CA -0.176 58.025 58.200 0.002 0.000 1.185 313 S CB 0.339 63.577 63.200 0.064 0.000 0.833 313 S HN 0.289 nan 8.310 nan 0.000 0.472 314 S N -0.186 115.430 115.700 -0.141 0.000 2.628 314 S HA 0.431 4.896 4.470 -0.007 0.000 0.246 314 S C 0.132 174.587 174.600 -0.242 0.000 1.062 314 S CA -0.402 57.680 58.200 -0.197 0.000 1.028 314 S CB 0.731 63.821 63.200 -0.183 0.000 0.985 314 S HN 0.323 nan 8.310 nan 0.000 0.551 326 F N 2.449 122.511 119.950 0.186 0.000 2.804 326 F HA 0.278 4.800 4.527 -0.008 0.000 0.303 326 F C 1.402 177.261 175.800 0.098 0.000 1.154 326 F CA 0.150 58.233 58.000 0.139 0.000 1.401 326 F CB 0.123 39.080 39.000 -0.072 0.000 1.106 326 F HN -0.075 nan 8.300 nan 0.000 0.568 327 D N 0.280 120.820 120.400 0.233 0.000 2.178 327 D HA -0.134 4.502 4.640 -0.007 0.000 0.201 327 D C 2.235 178.628 176.300 0.155 0.000 0.980 327 D CA 1.207 55.301 54.000 0.156 0.000 0.842 327 D CB -0.063 40.804 40.800 0.111 0.000 0.948 327 D HN 0.297 nan 8.370 nan 0.000 0.472 328 A N -0.208 122.740 122.820 0.213 0.000 2.208 328 A HA 0.025 4.341 4.320 -0.007 0.000 0.209 328 A C 1.750 179.464 177.584 0.217 0.000 1.161 328 A CA -0.194 51.972 52.037 0.216 0.000 0.782 328 A CB -0.683 18.459 19.000 0.236 0.000 0.816 328 A HN 0.135 nan 8.150 nan 0.000 0.477 329 F N 1.897 121.787 119.950 -0.101 0.000 2.065 329 F HA -0.140 4.383 4.527 -0.007 0.000 0.298 329 F C -0.761 174.920 175.800 -0.198 0.000 1.112 329 F CA 2.566 60.263 58.000 -0.506 0.000 1.212 329 F CB -0.544 38.160 39.000 -0.492 0.000 0.975 329 F HN 0.199 nan 8.300 nan 0.000 0.476 330 P HA -0.077 nan 4.420 nan 0.000 0.226 330 P C 0.660 177.918 177.300 -0.068 0.000 1.153 330 P CA 1.333 64.403 63.100 -0.050 0.000 0.777 330 P CB -0.088 31.611 31.700 -0.002 0.000 0.794 331 D N -0.508 119.874 120.400 -0.031 0.000 2.277 331 D HA -0.049 4.586 4.640 -0.007 0.000 0.208 331 D C 1.461 177.749 176.300 -0.021 0.000 0.962 331 D CA 0.981 54.975 54.000 -0.010 0.000 0.865 331 D CB 0.043 40.859 40.800 0.026 0.000 0.939 331 D HN 0.173 nan 8.370 nan 0.000 0.510 332 K N -0.009 120.358 120.400 -0.056 0.000 2.402 332 K HA 0.217 4.533 4.320 -0.007 0.000 0.203 332 K C -0.096 176.424 176.600 -0.134 0.000 1.077 332 K CA 0.051 56.316 56.287 -0.038 0.000 1.051 332 K CB 2.383 34.957 32.500 0.124 0.000 0.907 332 K HN -0.055 nan 8.250 nan 0.000 0.554 333 V N 1.178 120.920 119.914 -0.288 0.000 2.577 333 V HA 0.594 4.709 4.120 -0.007 0.000 0.303 333 V C -1.021 174.986 176.094 -0.144 0.000 1.042 333 V CA -1.268 60.856 62.300 -0.294 0.000 0.872 333 V CB 1.771 33.072 31.823 -0.869 0.000 0.998 333 V HN 0.119 nan 8.190 nan 0.000 0.423 334 A N 5.871 128.669 122.820 -0.036 0.000 2.330 334 A HA 0.905 5.221 4.320 -0.007 0.000 0.313 334 A C -0.853 176.774 177.584 0.072 0.000 1.124 334 A CA -0.472 51.573 52.037 0.013 0.000 0.774 334 A CB 0.838 19.788 19.000 -0.083 0.000 1.198 334 A HN 0.783 nan 8.150 nan 0.000 0.465 335 I N 2.079 122.723 120.570 0.124 0.000 2.354 335 I HA 0.265 4.430 4.170 -0.007 0.000 0.286 335 I C -0.199 176.013 176.117 0.158 0.000 1.007 335 I CA -0.495 60.885 61.300 0.134 0.000 1.167 335 I CB 1.740 39.793 38.000 0.088 0.000 1.320 335 I HN 0.676 nan 8.210 nan 0.000 0.458 336 Q N 6.852 126.750 119.800 0.164 0.000 2.303 336 Q HA 0.489 4.825 4.340 -0.007 0.000 0.257 336 Q C -1.239 174.772 176.000 0.017 0.000 0.941 336 Q CA -0.234 55.691 55.803 0.203 0.000 0.931 336 Q CB 1.262 30.244 28.738 0.406 0.000 1.215 336 Q HN 0.567 nan 8.270 nan 0.000 0.437 337 L N 3.814 125.082 121.223 0.074 0.000 2.255 337 L HA 0.393 4.729 4.340 -0.007 0.000 0.289 337 L C 0.059 176.960 176.870 0.052 0.000 1.046 337 L CA -0.756 54.118 54.840 0.056 0.000 0.816 337 L CB 0.606 42.743 42.059 0.130 0.000 1.197 337 L HN 0.546 nan 8.230 nan 0.000 0.427 338 N N 4.682 123.326 118.700 -0.093 0.000 2.421 338 N HA 0.022 4.758 4.740 -0.007 0.000 0.260 338 N C 0.036 175.546 175.510 -0.001 0.000 1.173 338 N CA 0.571 53.610 53.050 -0.019 0.000 0.960 338 N CB -0.109 38.270 38.487 -0.180 0.000 1.273 338 N HN 0.653 nan 8.380 nan 0.000 0.497 339 D N -0.174 120.340 120.400 0.190 0.000 4.136 339 D HA -0.246 4.389 4.640 -0.007 0.000 0.291 339 D C 0.278 176.653 176.300 0.124 0.000 2.238 339 D CA 1.684 55.773 54.000 0.148 0.000 1.141 339 D CB -0.389 40.243 40.800 -0.281 0.000 1.027 339 D HN 0.536 nan 8.370 nan 0.000 1.223 340 T N -2.505 112.063 114.554 0.022 0.000 3.148 340 T HA 0.059 4.405 4.350 -0.007 0.000 0.253 340 T C 1.575 176.355 174.700 0.134 0.000 1.134 340 T CA 1.469 63.577 62.100 0.014 0.000 1.051 340 T CB -0.481 68.375 68.868 -0.020 0.000 0.959 340 T HN 0.477 nan 8.240 nan 0.000 0.525 341 H N 2.553 121.718 119.070 0.159 0.000 2.352 341 H HA 0.013 4.564 4.556 -0.007 0.000 0.299 341 H C -0.790 174.641 175.328 0.171 0.000 1.097 341 H CA 0.916 57.076 56.048 0.188 0.000 1.311 341 H CB -0.889 28.982 29.762 0.183 0.000 1.377 341 H HN 0.436 nan 8.280 nan 0.000 0.504 342 P HA 0.074 nan 4.420 nan 0.000 0.259 342 P C 0.766 178.122 177.300 0.092 0.000 1.530 342 P CA 0.384 63.575 63.100 0.152 0.000 1.022 342 P CB 0.302 32.077 31.700 0.126 0.000 1.514 343 S N -0.118 115.629 115.700 0.080 0.000 2.419 343 S HA -0.144 4.321 4.470 -0.007 0.000 0.235 343 S C 1.807 176.422 174.600 0.025 0.000 1.019 343 S CA 0.793 58.998 58.200 0.009 0.000 0.982 343 S CB -1.542 61.633 63.200 -0.041 0.000 0.789 343 S HN 0.151 nan 8.310 nan 0.000 0.490 344 L N 1.035 122.293 121.223 0.058 0.000 2.450 344 L HA -0.040 4.296 4.340 -0.007 0.000 0.224 344 L C 2.949 179.874 176.870 0.092 0.000 1.149 344 L CA 0.678 55.559 54.840 0.069 0.000 0.816 344 L CB -0.795 41.311 42.059 0.078 0.000 0.932 344 L HN 0.485 nan 8.230 nan 0.000 0.449 345 A N 0.550 123.400 122.820 0.051 0.000 1.940 345 A HA -0.210 4.106 4.320 -0.007 0.000 0.219 345 A C 2.161 179.754 177.584 0.015 0.000 1.176 345 A CA 1.544 53.594 52.037 0.021 0.000 0.631 345 A CB -0.474 18.528 19.000 0.003 0.000 0.814 345 A HN 0.372 nan 8.150 nan 0.000 0.446 346 I N 0.328 120.909 120.570 0.018 0.000 2.090 346 I HA -0.156 4.009 4.170 -0.007 0.000 0.236 346 I C -0.313 175.833 176.117 0.047 0.000 1.064 346 I CA 1.666 62.976 61.300 0.017 0.000 1.324 346 I CB -1.068 36.945 38.000 0.022 0.000 1.044 346 I HN 0.239 nan 8.210 nan 0.000 0.399 347 P HA -0.187 nan 4.420 nan 0.000 0.220 347 P C 1.284 178.593 177.300 0.016 0.000 1.148 347 P CA 1.558 64.691 63.100 0.056 0.000 0.803 347 P CB 0.017 31.782 31.700 0.108 0.000 0.782 348 E N 0.304 120.596 120.200 0.154 0.000 2.072 348 E HA -0.160 4.185 4.350 -0.007 0.000 0.191 348 E C 1.944 178.526 176.600 -0.031 0.000 0.985 348 E CA 0.753 57.255 56.400 0.171 0.000 0.801 348 E CB -1.239 28.617 29.700 0.260 0.000 0.750 348 E HN 0.023 nan 8.360 nan 0.000 0.452 349 L N -0.098 121.079 121.223 -0.077 0.000 2.046 349 L HA -0.106 4.230 4.340 -0.007 0.000 0.208 349 L C 2.124 178.839 176.870 -0.259 0.000 1.077 349 L CA 1.756 56.487 54.840 -0.181 0.000 0.747 349 L CB -0.570 41.388 42.059 -0.169 0.000 0.896 349 L HN 0.224 nan 8.230 nan 0.000 0.432 350 M N -0.662 118.802 119.600 -0.227 0.000 2.080 350 M HA -0.237 4.239 4.480 -0.007 0.000 0.260 350 M C 2.457 178.566 176.300 -0.318 0.000 1.068 350 M CA 1.654 56.759 55.300 -0.325 0.000 1.109 350 M CB -1.247 31.143 32.600 -0.349 0.000 1.342 350 M HN 0.347 nan 8.290 nan 0.000 0.405 351 R N -0.052 120.291 120.500 -0.262 0.000 2.080 351 R HA -0.136 4.199 4.340 -0.007 0.000 0.236 351 R C 2.091 178.275 176.300 -0.194 0.000 1.137 351 R CA 1.759 57.711 56.100 -0.246 0.000 0.943 351 R CB -0.232 29.862 30.300 -0.343 0.000 0.846 351 R HN 0.215 nan 8.270 nan 0.000 0.431 352 V N 1.539 121.339 119.914 -0.189 0.000 2.295 352 V HA -0.271 3.844 4.120 -0.007 0.000 0.246 352 V C 2.450 178.374 176.094 -0.284 0.000 1.049 352 V CA 1.838 64.023 62.300 -0.193 0.000 1.024 352 V CB -0.444 31.265 31.823 -0.189 0.000 0.648 352 V HN 0.350 nan 8.190 nan 0.000 0.447 353 L N -0.648 120.335 121.223 -0.400 0.000 2.046 353 L HA -0.145 4.191 4.340 -0.007 0.000 0.208 353 L C 2.393 179.065 176.870 -0.331 0.000 1.077 353 L CA 1.192 55.723 54.840 -0.515 0.000 0.747 353 L CB -0.594 41.105 42.059 -0.600 0.000 0.896 353 L HN 0.210 nan 8.230 nan 0.000 0.432 354 V N -0.562 119.200 119.914 -0.254 0.000 2.300 354 V HA -0.191 3.925 4.120 -0.007 0.000 0.241 354 V C 1.969 178.014 176.094 -0.082 0.000 1.034 354 V CA 1.736 63.954 62.300 -0.137 0.000 1.021 354 V CB -0.377 31.395 31.823 -0.085 0.000 0.662 354 V HN 0.359 nan 8.190 nan 0.000 0.458 355 D N -0.121 120.226 120.400 -0.087 0.000 2.194 355 D HA -0.007 4.628 4.640 -0.007 0.000 0.204 355 D C 1.996 178.267 176.300 -0.050 0.000 0.964 355 D CA 1.142 55.110 54.000 -0.054 0.000 0.846 355 D CB 0.113 40.878 40.800 -0.058 0.000 0.962 355 D HN 0.339 nan 8.370 nan 0.000 0.490 356 L N 0.134 121.313 121.223 -0.074 0.000 2.362 356 L HA 0.121 4.457 4.340 -0.007 0.000 0.204 356 L C 1.821 178.663 176.870 -0.047 0.000 1.060 356 L CA 0.415 55.224 54.840 -0.052 0.000 0.827 356 L CB 0.134 42.163 42.059 -0.051 0.000 1.027 356 L HN -0.207 nan 8.230 nan 0.000 0.474 357 E N 0.352 120.490 120.200 -0.102 0.000 2.442 357 E HA 0.045 4.391 4.350 -0.007 0.000 0.195 357 E C 0.151 176.723 176.600 -0.046 0.000 1.030 357 E CA -0.058 56.296 56.400 -0.077 0.000 0.869 357 E CB 0.329 29.875 29.700 -0.255 0.000 0.857 357 E HN 0.178 nan 8.360 nan 0.000 0.505 358 R N 0.168 120.633 120.500 -0.059 0.000 3.651 358 R HA -0.161 4.175 4.340 -0.007 0.000 0.292 358 R C -0.203 176.086 176.300 -0.018 0.000 1.161 358 R CA 0.334 56.421 56.100 -0.022 0.000 0.787 358 R CB -2.551 27.754 30.300 0.008 0.000 1.249 358 R HN 0.215 nan 8.270 nan 0.000 0.476 359 L N 1.276 122.458 121.223 -0.067 0.000 2.418 359 L HA 0.121 4.457 4.340 -0.007 0.000 0.265 359 L C 1.165 178.028 176.870 -0.011 0.000 1.143 359 L CA -0.272 54.537 54.840 -0.051 0.000 0.809 359 L CB 0.539 42.518 42.059 -0.134 0.000 1.124 359 L HN 0.160 nan 8.230 nan 0.000 0.456 360 D N 0.005 120.423 120.400 0.031 0.000 2.382 360 D HA -0.128 4.507 4.640 -0.007 0.000 0.240 360 D C 0.865 177.234 176.300 0.115 0.000 1.146 360 D CA -0.444 53.608 54.000 0.087 0.000 0.897 360 D CB 0.817 41.672 40.800 0.091 0.000 1.197 360 D HN 0.534 nan 8.370 nan 0.000 0.432 361 W N 2.178 123.481 121.300 0.005 0.000 2.318 361 W HA -0.247 4.408 4.660 -0.007 0.000 0.313 361 W C 0.858 177.421 176.519 0.073 0.000 1.221 361 W CA 1.869 59.224 57.345 0.015 0.000 1.266 361 W CB -0.338 29.113 29.460 -0.015 0.000 1.150 361 W HN 0.516 nan 8.180 nan 0.000 0.496 362 D N 0.352 120.951 120.400 0.332 0.000 2.104 362 D HA -0.218 4.418 4.640 -0.007 0.000 0.194 362 D C 1.893 178.296 176.300 0.172 0.000 0.994 362 D CA 2.093 56.259 54.000 0.277 0.000 0.830 362 D CB -0.495 40.432 40.800 0.213 0.000 0.959 362 D HN 0.054 nan 8.370 nan 0.000 0.452 363 K N 1.136 121.594 120.400 0.097 0.000 2.025 363 K HA 0.002 4.318 4.320 -0.007 0.000 0.207 363 K C 1.862 178.450 176.600 -0.019 0.000 1.049 363 K CA 1.555 57.870 56.287 0.046 0.000 0.933 363 K CB -0.693 31.830 32.500 0.039 0.000 0.714 363 K HN 0.011 nan 8.250 nan 0.000 0.438 364 A N 0.615 123.381 122.820 -0.090 0.000 1.917 364 A HA -0.207 4.109 4.320 -0.007 0.000 0.219 364 A C 2.280 179.763 177.584 -0.167 0.000 1.182 364 A CA 1.636 53.545 52.037 -0.213 0.000 0.633 364 A CB -1.219 17.585 19.000 -0.327 0.000 0.819 364 A HN 0.711 nan 8.150 nan 0.000 0.448 365 W N 0.538 121.639 121.300 -0.332 0.000 2.381 365 W HA -0.146 4.510 4.660 -0.007 0.000 0.301 365 W C 2.005 178.470 176.519 -0.091 0.000 1.205 365 W CA 1.685 58.885 57.345 -0.241 0.000 1.285 365 W CB -0.145 29.216 29.460 -0.165 0.000 1.133 365 W HN 0.620 nan 8.180 nan 0.000 0.521 366 E N 0.224 120.411 120.200 -0.022 0.000 2.049 366 E HA -0.251 4.094 4.350 -0.007 0.000 0.198 366 E C 2.025 178.540 176.600 -0.142 0.000 1.007 366 E CA 2.262 58.614 56.400 -0.080 0.000 0.809 366 E CB -0.377 29.333 29.700 0.017 0.000 0.749 366 E HN 0.056 nan 8.360 nan 0.000 0.450 367 V N 0.760 120.606 119.914 -0.112 0.000 2.287 367 V HA -0.285 3.831 4.120 -0.007 0.000 0.248 367 V C 2.449 178.468 176.094 -0.125 0.000 1.053 367 V CA 2.268 64.517 62.300 -0.085 0.000 1.027 367 V CB -0.888 30.872 31.823 -0.106 0.000 0.646 367 V HN 0.396 nan 8.190 nan 0.000 0.447 368 T N 0.042 114.446 114.554 -0.251 0.000 2.652 368 T HA -0.184 4.162 4.350 -0.007 0.000 0.267 368 T C 1.947 176.455 174.700 -0.320 0.000 1.039 368 T CA 1.801 63.728 62.100 -0.289 0.000 1.153 368 T CB -0.329 68.317 68.868 -0.371 0.000 0.863 368 T HN 0.275 nan 8.240 nan 0.000 0.428 369 V N 1.409 121.004 119.914 -0.532 0.000 2.343 369 V HA -0.185 3.931 4.120 -0.007 0.000 0.247 369 V C 2.387 178.440 176.094 -0.068 0.000 1.051 369 V CA 1.662 63.720 62.300 -0.403 0.000 1.036 369 V CB -0.507 31.000 31.823 -0.526 0.000 0.654 369 V HN 0.462 nan 8.190 nan 0.000 0.451 370 K N -0.463 119.880 120.400 -0.095 0.000 2.283 370 K HA -0.102 4.214 4.320 -0.007 0.000 0.202 370 K C 2.105 178.700 176.600 -0.008 0.000 1.048 370 K CA 1.609 57.833 56.287 -0.105 0.000 0.948 370 K CB -0.226 32.200 32.500 -0.123 0.000 0.742 370 K HN 0.487 nan 8.250 nan 0.000 0.458 371 T N 0.130 114.724 114.554 0.066 0.000 2.937 371 T HA 0.011 4.357 4.350 -0.007 0.000 0.260 371 T C 0.897 175.705 174.700 0.180 0.000 1.051 371 T CA 0.440 62.610 62.100 0.118 0.000 1.141 371 T CB 0.089 69.063 68.868 0.177 0.000 0.879 371 T HN 0.161 nan 8.240 nan 0.000 0.459 372 C N 2.407 121.791 119.300 0.140 0.000 2.350 372 C HA 0.881 5.336 4.460 -0.007 0.000 0.348 372 C C 0.582 175.600 174.990 0.047 0.000 1.260 372 C CA -1.259 57.812 59.018 0.089 0.000 1.966 372 C CB 0.015 27.750 27.740 -0.008 0.000 2.380 372 C HN 0.593 nan 8.230 nan 0.000 0.535 373 A N 2.329 125.179 122.820 0.050 0.000 2.475 373 A HA 0.768 5.084 4.320 -0.007 0.000 0.301 373 A C -1.561 176.083 177.584 0.100 0.000 1.059 373 A CA -0.435 51.576 52.037 -0.044 0.000 0.710 373 A CB 1.054 20.009 19.000 -0.075 0.000 1.288 373 A HN 0.936 nan 8.150 nan 0.000 0.408 374 Y N 1.173 121.409 120.300 -0.107 0.000 2.350 374 Y HA 0.604 5.150 4.550 -0.007 0.000 0.338 374 Y C -0.502 175.371 175.900 -0.045 0.000 0.961 374 Y CA -0.331 57.720 58.100 -0.080 0.000 1.100 374 Y CB 1.934 40.297 38.460 -0.160 0.000 1.179 374 Y HN 0.570 nan 8.280 nan 0.000 0.454 375 T N 6.601 120.983 114.554 -0.287 0.000 2.758 375 T HA 0.170 4.515 4.350 -0.007 0.000 0.285 375 T C -0.691 173.577 174.700 -0.720 0.000 0.981 375 T CA -0.757 61.102 62.100 -0.403 0.000 0.965 375 T CB 0.340 69.204 68.868 -0.006 0.000 0.927 375 T HN 0.641 nan 8.240 nan 0.000 0.448 376 N N 1.974 120.210 118.700 -0.772 0.000 2.438 376 N HA 0.125 4.861 4.740 -0.007 0.000 0.282 376 N C 0.035 175.443 175.510 -0.171 0.000 1.037 376 N CA -0.352 52.473 53.050 -0.375 0.000 0.942 376 N CB 0.764 39.181 38.487 -0.116 0.000 1.136 376 N HN 0.671 nan 8.380 nan 0.000 0.481 377 H N 1.226 120.335 119.070 0.065 0.000 2.893 377 H HA 0.168 4.719 4.556 -0.008 0.000 0.270 377 H C -0.211 175.045 175.328 -0.119 0.000 1.095 377 H CA -0.021 56.011 56.048 -0.027 0.000 1.186 377 H CB 1.164 30.916 29.762 -0.017 0.000 1.562 377 H HN 0.515 nan 8.280 nan 0.000 0.536 378 T N 0.245 114.843 114.554 0.073 0.000 2.893 378 T HA 0.191 4.537 4.350 -0.007 0.000 0.337 378 T C 0.508 175.262 174.700 0.091 0.000 1.587 378 T CA -0.373 61.722 62.100 -0.008 0.000 1.066 378 T CB 1.293 70.145 68.868 -0.027 0.000 1.414 378 T HN -0.035 nan 8.240 nan 0.000 0.488 379 V N 1.789 121.719 119.914 0.026 0.000 3.643 379 V HA 0.550 4.665 4.120 -0.007 0.000 0.280 379 V C 0.714 176.790 176.094 -0.029 0.000 1.351 379 V CA 0.092 62.393 62.300 0.001 0.000 1.073 379 V CB -0.402 31.419 31.823 -0.004 0.000 0.863 379 V HN 0.690 nan 8.190 nan 0.000 0.436 380 L N 3.180 124.378 121.223 -0.042 0.000 2.500 380 L HA 0.236 4.571 4.340 -0.007 0.000 0.272 380 L C -0.669 176.208 176.870 0.013 0.000 1.149 380 L CA -1.069 53.763 54.840 -0.014 0.000 0.897 380 L CB 0.844 42.883 42.059 -0.033 0.000 1.178 380 L HN 0.143 nan 8.230 nan 0.000 0.473 381 P HA -0.198 nan 4.420 nan 0.000 0.218 381 P C 0.980 178.279 177.300 -0.001 0.000 1.149 381 P CA 1.142 64.244 63.100 0.003 0.000 0.817 381 P CB 0.091 31.795 31.700 0.007 0.000 0.785 382 E N 0.380 120.605 120.200 0.042 0.000 2.418 382 E HA -0.050 4.295 4.350 -0.007 0.000 0.197 382 E C 1.602 178.189 176.600 -0.022 0.000 1.026 382 E CA 0.999 57.419 56.400 0.033 0.000 0.862 382 E CB -0.716 29.100 29.700 0.194 0.000 0.799 382 E HN 0.192 nan 8.360 nan 0.000 0.518 383 A N 1.211 124.044 122.820 0.021 0.000 2.147 383 A HA 0.217 4.533 4.320 -0.007 0.000 0.211 383 A C 1.345 178.914 177.584 -0.026 0.000 1.160 383 A CA -0.281 51.781 52.037 0.041 0.000 0.781 383 A CB -0.152 18.898 19.000 0.083 0.000 0.842 383 A HN 0.165 nan 8.150 nan 0.000 0.475 384 L N 1.566 122.725 121.223 -0.107 0.000 2.455 384 L HA 0.090 4.425 4.340 -0.007 0.000 0.272 384 L C 0.004 176.490 176.870 -0.641 0.000 1.174 384 L CA -0.143 54.563 54.840 -0.224 0.000 0.869 384 L CB 0.501 42.465 42.059 -0.160 0.000 1.130 384 L HN 0.324 nan 8.230 nan 0.000 0.474 385 E N 4.688 124.425 120.200 -0.771 0.000 2.166 385 E HA 0.174 4.520 4.350 -0.007 0.000 0.279 385 E C -0.565 175.319 176.600 -1.193 0.000 1.095 385 E CA -0.077 55.385 56.400 -1.564 0.000 0.888 385 E CB 0.560 29.780 29.700 -0.800 0.000 1.041 385 E HN 0.400 nan 8.360 nan 0.000 0.414 386 R N 3.912 123.540 120.500 -1.454 0.000 2.472 386 R HA 0.191 4.527 4.340 -0.007 0.000 0.294 386 R C -1.191 174.903 176.300 -0.343 0.000 1.243 386 R CA -0.586 55.154 56.100 -0.600 0.000 1.023 386 R CB 0.810 30.905 30.300 -0.342 0.000 1.157 386 R HN 0.432 nan 8.270 nan 0.000 0.530 387 W N 4.291 125.544 121.300 -0.078 0.000 2.287 387 W HA 0.266 4.922 4.660 -0.008 0.000 0.313 387 W C -1.911 174.575 176.519 -0.055 0.000 1.267 387 W CA -2.166 55.194 57.345 0.025 0.000 1.201 387 W CB 0.588 30.043 29.460 -0.007 0.000 1.196 387 W HN 0.248 nan 8.180 nan 0.000 0.536 388 P HA -0.109 nan 4.420 nan 0.000 0.265 388 P C 0.894 178.099 177.300 -0.158 0.000 1.193 388 P CA 0.176 63.212 63.100 -0.106 0.000 0.765 388 P CB 0.647 32.087 31.700 -0.433 0.000 0.823 389 V N 2.527 122.406 119.914 -0.059 0.000 2.490 389 V HA -0.292 3.824 4.120 -0.007 0.000 0.250 389 V C 2.040 178.137 176.094 0.005 0.000 1.061 389 V CA 1.987 64.285 62.300 -0.004 0.000 1.064 389 V CB -1.849 30.041 31.823 0.112 0.000 0.670 389 V HN 0.692 nan 8.190 nan 0.000 0.461 390 H N -0.001 119.131 119.070 0.103 0.000 2.387 390 H HA -0.136 4.416 4.556 -0.007 0.000 0.299 390 H C 2.205 177.586 175.328 0.088 0.000 1.090 390 H CA 1.959 58.064 56.048 0.094 0.000 1.332 390 H CB -0.300 29.517 29.762 0.091 0.000 1.386 390 H HN 0.488 nan 8.280 nan 0.000 0.516 391 L N 1.256 122.364 121.223 -0.190 0.000 2.056 391 L HA -0.046 4.289 4.340 -0.007 0.000 0.207 391 L C 2.594 179.441 176.870 -0.039 0.000 1.078 391 L CA 1.094 55.928 54.840 -0.009 0.000 0.749 391 L CB -0.694 41.332 42.059 -0.054 0.000 0.901 391 L HN 0.226 nan 8.230 nan 0.000 0.433 392 L N -0.757 120.412 121.223 -0.091 0.000 2.093 392 L HA -0.201 4.135 4.340 -0.007 0.000 0.208 392 L C 2.548 179.367 176.870 -0.085 0.000 1.085 392 L CA 1.512 56.270 54.840 -0.136 0.000 0.755 392 L CB -0.545 41.423 42.059 -0.152 0.000 0.904 392 L HN 0.402 nan 8.230 nan 0.000 0.435 393 E N -0.341 119.852 120.200 -0.011 0.000 2.077 393 E HA -0.210 4.136 4.350 -0.007 0.000 0.193 393 E C 1.957 178.602 176.600 0.076 0.000 0.989 393 E CA 1.857 58.279 56.400 0.037 0.000 0.800 393 E CB 0.132 29.891 29.700 0.099 0.000 0.746 393 E HN 0.414 nan 8.360 nan 0.000 0.452 394 T N 1.098 115.724 114.554 0.121 0.000 2.732 394 T HA -0.128 4.217 4.350 -0.007 0.000 0.261 394 T C 1.777 176.614 174.700 0.227 0.000 1.040 394 T CA 1.046 63.270 62.100 0.207 0.000 1.145 394 T CB -0.218 68.801 68.868 0.252 0.000 0.866 394 T HN 0.093 nan 8.240 nan 0.000 0.427 395 L N -0.002 121.251 121.223 0.050 0.000 2.095 395 L HA 0.294 4.630 4.340 -0.007 0.000 0.204 395 L C 0.502 177.319 176.870 -0.088 0.000 1.080 395 L CA 1.641 56.373 54.840 -0.181 0.000 0.759 395 L CB -0.030 41.868 42.059 -0.269 0.000 0.914 395 L HN 0.193 nan 8.230 nan 0.000 0.439 396 L N 0.557 121.691 121.223 -0.149 0.000 2.625 396 L HA 0.285 4.621 4.340 -0.007 0.000 0.255 396 L C -1.695 174.999 176.870 -0.294 0.000 1.493 396 L CA -0.959 53.696 54.840 -0.308 0.000 0.796 396 L CB 0.814 42.538 42.059 -0.557 0.000 1.064 396 L HN -0.054 nan 8.230 nan 0.000 0.516 397 P HA -0.206 nan 4.420 nan 0.000 0.215 397 P C 1.465 178.597 177.300 -0.280 0.000 1.153 397 P CA 1.168 64.167 63.100 -0.168 0.000 0.853 397 P CB 0.379 32.049 31.700 -0.050 0.000 0.788 398 R N -0.162 119.993 120.500 -0.574 0.000 2.092 398 R HA -0.142 4.193 4.340 -0.007 0.000 0.231 398 R C 2.295 178.315 176.300 -0.466 0.000 1.119 398 R CA 1.669 57.434 56.100 -0.558 0.000 0.970 398 R CB -1.699 28.099 30.300 -0.838 0.000 0.864 398 R HN 0.261 nan 8.270 nan 0.000 0.440 399 H N -0.632 118.137 119.070 -0.501 0.000 2.389 399 H HA -0.062 4.490 4.556 -0.008 0.000 0.299 399 H C 1.579 176.749 175.328 -0.263 0.000 1.081 399 H CA 1.563 57.403 56.048 -0.346 0.000 1.345 399 H CB -0.207 29.315 29.762 -0.400 0.000 1.393 399 H HN 0.104 nan 8.280 nan 0.000 0.520 400 L N 0.919 122.039 121.223 -0.172 0.000 2.017 400 L HA -0.205 4.130 4.340 -0.007 0.000 0.208 400 L C 1.955 178.677 176.870 -0.246 0.000 1.073 400 L CA 1.665 56.345 54.840 -0.267 0.000 0.745 400 L CB -0.597 41.326 42.059 -0.227 0.000 0.894 400 L HN 0.284 nan 8.230 nan 0.000 0.432 401 Q N -0.616 119.140 119.800 -0.074 0.000 2.077 401 Q HA -0.244 4.092 4.340 -0.007 0.000 0.206 401 Q C 2.307 178.340 176.000 0.056 0.000 0.989 401 Q CA 2.264 58.103 55.803 0.060 0.000 0.853 401 Q CB -0.321 28.449 28.738 0.053 0.000 0.907 401 Q HN 0.571 nan 8.270 nan 0.000 0.418 402 I N 0.342 120.926 120.570 0.023 0.000 2.226 402 I HA -0.278 3.888 4.170 -0.007 0.000 0.245 402 I C 2.204 178.404 176.117 0.139 0.000 1.100 402 I CA 0.997 62.399 61.300 0.169 0.000 1.374 402 I CB -0.183 37.854 38.000 0.062 0.000 1.057 402 I HN 0.194 nan 8.210 nan 0.000 0.413 403 I N -0.398 120.166 120.570 -0.011 0.000 2.226 403 I HA -0.332 3.834 4.170 -0.007 0.000 0.245 403 I C 2.433 178.546 176.117 -0.007 0.000 1.100 403 I CA 1.549 62.819 61.300 -0.050 0.000 1.374 403 I CB -0.413 37.487 38.000 -0.166 0.000 1.057 403 I HN 0.150 nan 8.210 nan 0.000 0.413 404 Y N 0.782 121.086 120.300 0.007 0.000 2.165 404 Y HA -0.286 4.259 4.550 -0.007 0.000 0.286 404 Y C 2.606 178.468 175.900 -0.063 0.000 1.155 404 Y CA 1.649 59.738 58.100 -0.019 0.000 1.164 404 Y CB -0.762 37.678 38.460 -0.032 0.000 0.978 404 Y HN 0.201 nan 8.280 nan 0.000 0.513 405 E N 0.350 120.580 120.200 0.050 0.000 2.072 405 E HA -0.136 4.209 4.350 -0.007 0.000 0.191 405 E C 2.083 178.602 176.600 -0.134 0.000 0.985 405 E CA 1.209 57.495 56.400 -0.191 0.000 0.801 405 E CB -0.537 28.819 29.700 -0.572 0.000 0.750 405 E HN 0.465 nan 8.360 nan 0.000 0.452 406 I N 0.777 121.365 120.570 0.029 0.000 2.151 406 I HA -0.329 3.837 4.170 -0.007 0.000 0.243 406 I C 2.305 178.412 176.117 -0.017 0.000 1.080 406 I CA 1.532 62.775 61.300 -0.096 0.000 1.339 406 I CB -0.448 37.482 38.000 -0.116 0.000 1.039 406 I HN 0.225 nan 8.210 nan 0.000 0.409 407 N N 0.619 119.364 118.700 0.075 0.000 2.069 407 N HA -0.279 4.457 4.740 -0.007 0.000 0.191 407 N C 1.817 177.414 175.510 0.146 0.000 1.031 407 N CA 1.660 54.812 53.050 0.169 0.000 0.852 407 N CB -0.161 38.442 38.487 0.194 0.000 1.018 407 N HN 0.245 nan 8.380 nan 0.000 0.423 408 Q N 0.578 120.410 119.800 0.054 0.000 2.061 408 Q HA -0.053 4.282 4.340 -0.007 0.000 0.204 408 Q C 2.017 178.007 176.000 -0.016 0.000 0.984 408 Q CA 1.759 57.560 55.803 -0.004 0.000 0.846 408 Q CB -0.137 28.557 28.738 -0.073 0.000 0.902 408 Q HN 0.359 nan 8.270 nan 0.000 0.421 409 R N -1.100 119.373 120.500 -0.046 0.000 2.092 409 R HA -0.070 4.266 4.340 -0.007 0.000 0.231 409 R C 2.157 178.492 176.300 0.058 0.000 1.119 409 R CA 1.212 57.287 56.100 -0.041 0.000 0.970 409 R CB -0.468 29.763 30.300 -0.115 0.000 0.864 409 R HN 0.295 nan 8.270 nan 0.000 0.440 410 F N 1.457 121.392 119.950 -0.026 0.000 2.102 410 F HA -0.120 4.402 4.527 -0.008 0.000 0.298 410 F C 1.765 177.607 175.800 0.069 0.000 1.105 410 F CA 1.404 59.445 58.000 0.068 0.000 1.239 410 F CB -0.162 38.910 39.000 0.120 0.000 0.991 410 F HN -0.105 nan 8.300 nan 0.000 0.474 411 L N 0.028 121.254 121.223 0.005 0.000 2.201 411 L HA -0.207 4.129 4.340 -0.007 0.000 0.212 411 L C 2.068 178.875 176.870 -0.105 0.000 1.105 411 L CA 0.790 55.573 54.840 -0.094 0.000 0.775 411 L CB -0.814 41.259 42.059 0.024 0.000 0.913 411 L HN 0.153 nan 8.230 nan 0.000 0.440 412 N N 0.469 119.130 118.700 -0.066 0.000 2.166 412 N HA -0.146 4.590 4.740 -0.007 0.000 0.186 412 N C 1.899 177.366 175.510 -0.073 0.000 1.019 412 N CA 1.133 54.148 53.050 -0.058 0.000 0.856 412 N CB -0.160 38.302 38.487 -0.042 0.000 0.993 412 N HN 0.300 nan 8.380 nan 0.000 0.426 413 R N 0.199 120.639 120.500 -0.099 0.000 2.081 413 R HA -0.001 4.335 4.340 -0.007 0.000 0.235 413 R C 2.087 178.302 176.300 -0.142 0.000 1.131 413 R CA 0.838 56.876 56.100 -0.103 0.000 0.960 413 R CB -0.388 29.864 30.300 -0.080 0.000 0.856 413 R HN 0.045 nan 8.270 nan 0.000 0.436 414 V N 1.056 120.827 119.914 -0.238 0.000 2.295 414 V HA -0.245 3.871 4.120 -0.007 0.000 0.246 414 V C 2.466 178.566 176.094 0.011 0.000 1.049 414 V CA 2.001 64.227 62.300 -0.124 0.000 1.024 414 V CB -0.758 30.913 31.823 -0.253 0.000 0.648 414 V HN 0.405 nan 8.190 nan 0.000 0.447 415 A N -0.000 122.796 122.820 -0.040 0.000 1.933 415 A HA -0.129 4.187 4.320 -0.007 0.000 0.218 415 A C 2.404 179.973 177.584 -0.024 0.000 1.175 415 A CA 2.153 54.181 52.037 -0.014 0.000 0.628 415 A CB -0.745 18.237 19.000 -0.029 0.000 0.814 415 A HN 0.582 nan 8.150 nan 0.000 0.444 416 A N -0.405 122.383 122.820 -0.053 0.000 1.930 416 A HA 0.230 4.545 4.320 -0.007 0.000 0.217 416 A C 2.433 179.941 177.584 -0.128 0.000 1.175 416 A CA 1.898 53.892 52.037 -0.071 0.000 0.627 416 A CB -0.796 18.167 19.000 -0.062 0.000 0.815 416 A HN 1.005 nan 8.150 nan 0.000 0.443 417 A N -1.694 121.016 122.820 -0.184 0.000 1.970 417 A HA 0.333 4.649 4.320 -0.007 0.000 0.216 417 A C 0.513 177.657 177.584 -0.732 0.000 1.170 417 A CA 0.604 52.367 52.037 -0.455 0.000 0.645 417 A CB -0.207 18.484 19.000 -0.514 0.000 0.816 417 A HN 0.438 nan 8.150 nan 0.000 0.447 418 F N -0.118 119.788 119.950 -0.073 0.000 2.584 418 F HA 0.338 4.861 4.527 -0.008 0.000 0.328 418 F C -2.792 172.972 175.800 -0.059 0.000 1.407 418 F CA -2.751 55.209 58.000 -0.066 0.000 1.145 418 F CB 0.865 39.817 39.000 -0.081 0.000 1.440 418 F HN -0.069 nan 8.300 nan 0.000 0.580 419 P HA 0.196 nan 4.420 nan 0.000 0.263 419 P C 0.988 178.307 177.300 0.032 0.000 1.195 419 P CA 0.995 64.107 63.100 0.019 0.000 0.762 419 P CB 0.825 32.519 31.700 -0.011 0.000 0.799 420 G N 2.779 111.592 108.800 0.022 0.000 2.199 420 G HA2 -0.232 3.723 3.960 -0.007 0.000 0.254 420 G HA3 -0.232 3.723 3.960 -0.007 0.000 0.254 420 G C 0.305 175.214 174.900 0.015 0.000 0.982 420 G CA -0.101 45.008 45.100 0.014 0.000 0.632 420 G HN 0.581 nan 8.290 nan 0.000 0.529 421 D N 1.260 121.678 120.400 0.030 0.000 2.551 421 D HA 0.442 5.077 4.640 -0.007 0.000 0.223 421 D C 1.764 178.052 176.300 -0.020 0.000 1.144 421 D CA 0.168 54.171 54.000 0.004 0.000 1.025 421 D CB 0.463 41.265 40.800 0.004 0.000 1.085 421 D HN 0.106 nan 8.370 nan 0.000 0.506 422 V N 2.353 122.257 119.914 -0.016 0.000 2.427 422 V HA -0.213 3.902 4.120 -0.007 0.000 0.248 422 V C 2.028 178.108 176.094 -0.024 0.000 1.051 422 V CA 1.572 63.862 62.300 -0.017 0.000 1.048 422 V CB -0.304 31.514 31.823 -0.009 0.000 0.666 422 V HN 0.420 nan 8.190 nan 0.000 0.456 423 D N -0.087 120.295 120.400 -0.030 0.000 2.144 423 D HA -0.196 4.439 4.640 -0.007 0.000 0.199 423 D C 2.359 178.626 176.300 -0.055 0.000 0.984 423 D CA 1.226 55.207 54.000 -0.032 0.000 0.834 423 D CB -0.159 40.622 40.800 -0.032 0.000 0.955 423 D HN 0.244 nan 8.370 nan 0.000 0.465 424 R N -0.177 120.265 120.500 -0.097 0.000 2.091 424 R HA -0.106 4.230 4.340 -0.007 0.000 0.238 424 R C 2.418 178.636 176.300 -0.136 0.000 1.136 424 R CA 0.951 56.953 56.100 -0.164 0.000 0.959 424 R CB -0.324 29.815 30.300 -0.268 0.000 0.856 424 R HN 0.262 nan 8.270 nan 0.000 0.437 425 L N 0.215 121.387 121.223 -0.086 0.000 2.012 425 L HA -0.232 4.104 4.340 -0.007 0.000 0.210 425 L C 2.943 179.812 176.870 -0.001 0.000 1.073 425 L CA 1.738 56.549 54.840 -0.048 0.000 0.748 425 L CB -0.567 41.477 42.059 -0.025 0.000 0.891 425 L HN 0.294 nan 8.230 nan 0.000 0.431 426 R N 0.331 120.835 120.500 0.007 0.000 2.081 426 R HA -0.158 4.178 4.340 -0.007 0.000 0.235 426 R C 2.474 178.819 176.300 0.075 0.000 1.131 426 R CA 1.433 57.559 56.100 0.043 0.000 0.960 426 R CB -0.076 30.242 30.300 0.030 0.000 0.856 426 R HN 0.313 nan 8.270 nan 0.000 0.436 427 R N -0.371 120.152 120.500 0.038 0.000 2.092 427 R HA -0.055 4.281 4.340 -0.007 0.000 0.231 427 R C 2.190 178.562 176.300 0.120 0.000 1.119 427 R CA 1.645 57.790 56.100 0.075 0.000 0.970 427 R CB -0.106 30.196 30.300 0.003 0.000 0.864 427 R HN 0.318 nan 8.270 nan 0.000 0.440 428 M N 0.016 119.600 119.600 -0.027 0.000 2.514 428 M HA 0.039 4.514 4.480 -0.007 0.000 0.258 428 M C 0.889 177.343 176.300 0.256 0.000 1.119 428 M CA 0.034 55.240 55.300 -0.155 0.000 1.111 428 M CB 0.405 32.749 32.600 -0.427 0.000 1.390 428 M HN -0.081 nan 8.290 nan 0.000 0.475 429 S N 0.925 116.792 115.700 0.279 0.000 2.558 429 S HA 0.002 4.467 4.470 -0.007 0.000 0.291 429 S C 0.997 175.868 174.600 0.452 0.000 1.306 429 S CA -0.373 58.023 58.200 0.327 0.000 1.056 429 S CB 0.566 63.894 63.200 0.214 0.000 0.836 429 S HN 0.217 nan 8.310 nan 0.000 0.504 430 L N 5.413 126.850 121.223 0.357 0.000 2.275 430 L HA 0.113 4.449 4.340 -0.007 0.000 0.215 430 L C 0.494 177.465 176.870 0.168 0.000 1.119 430 L CA 0.857 55.853 54.840 0.260 0.000 0.790 430 L CB -0.526 41.629 42.059 0.160 0.000 0.919 430 L HN 0.475 nan 8.230 nan 0.000 0.443 431 V N 0.191 120.219 119.914 0.190 0.000 2.383 431 V HA 0.202 4.318 4.120 -0.007 0.000 0.275 431 V C 0.169 176.342 176.094 0.131 0.000 1.036 431 V CA -0.885 61.512 62.300 0.161 0.000 0.889 431 V CB 1.128 33.080 31.823 0.216 0.000 0.985 431 V HN 0.165 nan 8.190 nan 0.000 0.459 432 E N 3.726 123.979 120.200 0.089 0.000 2.175 432 E HA 0.330 4.676 4.350 -0.007 0.000 0.278 432 E C -0.086 176.557 176.600 0.071 0.000 0.969 432 E CA -0.514 55.927 56.400 0.069 0.000 0.796 432 E CB 1.779 31.494 29.700 0.025 0.000 1.104 432 E HN 0.537 nan 8.360 nan 0.000 0.395 433 E N 1.863 122.103 120.200 0.067 0.000 2.474 433 E HA 0.063 4.408 4.350 -0.007 0.000 0.195 433 E C 0.941 177.575 176.600 0.057 0.000 1.039 433 E CA -0.129 56.310 56.400 0.064 0.000 0.881 433 E CB 0.489 30.223 29.700 0.057 0.000 0.970 433 E HN 0.673 nan 8.360 nan 0.000 0.486 434 G N 1.002 109.834 108.800 0.054 0.000 2.332 434 G HA2 0.024 3.980 3.960 -0.007 0.000 0.311 434 G HA3 0.024 3.980 3.960 -0.007 0.000 0.311 434 G C 1.221 176.154 174.900 0.055 0.000 1.392 434 G CA 0.453 45.583 45.100 0.050 0.000 1.110 434 G HN 0.206 nan 8.290 nan 0.000 0.594 435 A N -1.733 121.119 122.820 0.053 0.000 1.933 435 A HA 0.166 4.482 4.320 -0.007 0.000 0.218 435 A C 1.134 178.764 177.584 0.076 0.000 1.175 435 A CA 1.442 53.512 52.037 0.056 0.000 0.628 435 A CB -0.362 18.667 19.000 0.049 0.000 0.814 435 A HN 0.575 nan 8.150 nan 0.000 0.444 436 V N 0.890 120.857 119.914 0.087 0.000 2.328 436 V HA 0.224 4.340 4.120 -0.007 0.000 0.278 436 V C 0.095 176.252 176.094 0.105 0.000 1.021 436 V CA -0.761 61.612 62.300 0.122 0.000 0.838 436 V CB 1.134 33.042 31.823 0.141 0.000 0.999 436 V HN 0.438 nan 8.190 nan 0.000 0.447 437 K N 5.302 125.772 120.400 0.117 0.000 2.412 437 K HA 0.406 4.721 4.320 -0.007 0.000 0.281 437 K C -0.093 176.561 176.600 0.091 0.000 1.027 437 K CA 0.002 56.352 56.287 0.106 0.000 0.989 437 K CB 0.484 33.060 32.500 0.126 0.000 0.935 437 K HN 0.640 nan 8.250 nan 0.000 0.475 438 R N 3.353 123.895 120.500 0.071 0.000 2.837 438 R HA 0.455 4.790 4.340 -0.007 0.000 0.271 438 R C -0.845 175.478 176.300 0.037 0.000 0.993 438 R CA -1.050 55.077 56.100 0.046 0.000 0.931 438 R CB 1.274 31.583 30.300 0.016 0.000 1.206 438 R HN 0.438 nan 8.270 nan 0.000 0.474 439 I N 2.144 122.730 120.570 0.027 0.000 2.321 439 I HA 0.131 4.297 4.170 -0.007 0.000 0.291 439 I C -0.071 176.017 176.117 -0.048 0.000 0.998 439 I CA -0.727 60.576 61.300 0.006 0.000 1.227 439 I CB 0.940 38.940 38.000 0.000 0.000 1.368 439 I HN 0.503 nan 8.210 nan 0.000 0.466 440 N N 7.253 125.895 118.700 -0.097 0.000 2.399 440 N HA 0.071 4.807 4.740 -0.007 0.000 0.259 440 N C 0.797 176.204 175.510 -0.172 0.000 1.160 440 N CA -0.246 52.668 53.050 -0.226 0.000 0.946 440 N CB 0.932 39.135 38.487 -0.474 0.000 1.156 440 N HN 0.372 nan 8.380 nan 0.000 0.489 441 M N 2.588 122.085 119.600 -0.172 0.000 2.319 441 M HA -0.038 4.437 4.480 -0.007 0.000 0.265 441 M C 1.892 178.049 176.300 -0.238 0.000 1.068 441 M CA 0.627 55.848 55.300 -0.132 0.000 1.118 441 M CB -1.521 31.048 32.600 -0.052 0.000 1.395 441 M HN 0.622 nan 8.290 nan 0.000 0.435 442 A N -0.279 122.401 122.820 -0.234 0.000 1.902 442 A HA -0.177 4.139 4.320 -0.007 0.000 0.217 442 A C 1.999 179.359 177.584 -0.373 0.000 1.181 442 A CA 1.496 53.351 52.037 -0.305 0.000 0.623 442 A CB -1.141 17.890 19.000 0.050 0.000 0.818 442 A HN 0.580 nan 8.150 nan 0.000 0.443 443 H N -1.433 117.426 119.070 -0.352 0.000 2.353 443 H HA -0.131 4.420 4.556 -0.008 0.000 0.300 443 H C 2.120 177.215 175.328 -0.388 0.000 1.090 443 H CA 1.194 57.009 56.048 -0.389 0.000 1.327 443 H CB -0.074 29.688 29.762 -0.001 0.000 1.383 443 H HN 0.433 nan 8.280 nan 0.000 0.508 444 L N 0.735 121.874 121.223 -0.141 0.000 2.012 444 L HA -0.185 4.151 4.340 -0.007 0.000 0.210 444 L C 2.354 179.078 176.870 -0.242 0.000 1.073 444 L CA 1.474 56.224 54.840 -0.149 0.000 0.748 444 L CB -0.785 41.222 42.059 -0.087 0.000 0.891 444 L HN 0.295 nan 8.230 nan 0.000 0.431 445 C N -0.361 118.689 119.300 -0.415 0.000 2.432 445 C HA -0.140 4.315 4.460 -0.007 0.000 0.277 445 C C 2.697 177.412 174.990 -0.459 0.000 1.249 445 C CA 1.034 59.721 59.018 -0.553 0.000 1.725 445 C CB -0.932 26.063 27.740 -1.241 0.000 2.028 445 C HN 0.620 nan 8.230 nan 0.000 0.477 446 I N 1.537 121.771 120.570 -0.560 0.000 2.179 446 I HA -0.227 3.939 4.170 -0.007 0.000 0.242 446 I C 2.788 178.710 176.117 -0.325 0.000 1.088 446 I CA 1.742 62.749 61.300 -0.489 0.000 1.357 446 I CB -0.698 36.805 38.000 -0.828 0.000 1.051 446 I HN 0.279 nan 8.210 nan 0.000 0.409 447 A N 0.748 123.320 122.820 -0.413 0.000 1.908 447 A HA -0.141 4.174 4.320 -0.007 0.000 0.218 447 A C 2.243 179.849 177.584 0.038 0.000 1.181 447 A CA 2.033 53.850 52.037 -0.366 0.000 0.627 447 A CB -1.266 17.330 19.000 -0.673 0.000 0.818 447 A HN 0.501 nan 8.150 nan 0.000 0.445 448 G N -1.330 107.448 108.800 -0.037 0.000 3.284 448 G HA2 0.406 4.362 3.960 -0.007 0.000 0.236 448 G HA3 0.406 4.362 3.960 -0.007 0.000 0.236 448 G C 0.128 174.869 174.900 -0.266 0.000 1.158 448 G CA 0.532 45.515 45.100 -0.195 0.000 0.774 448 G HN 0.356 nan 8.290 nan 0.000 0.545 449 S N -0.324 115.267 115.700 -0.182 0.000 2.513 449 S HA 0.317 4.783 4.470 -0.007 0.000 0.299 449 S C 0.750 175.288 174.600 -0.104 0.000 1.087 449 S CA -0.711 57.402 58.200 -0.145 0.000 1.012 449 S CB 1.285 64.402 63.200 -0.138 0.000 1.044 449 S HN 0.507 nan 8.310 nan 0.000 0.485 450 H N 0.138 119.169 119.070 -0.064 0.000 2.548 450 H HA 0.462 5.013 4.556 -0.008 0.000 0.268 450 H C 0.188 175.507 175.328 -0.015 0.000 0.975 450 H CA 0.299 56.338 56.048 -0.015 0.000 1.195 450 H CB 0.166 29.929 29.762 0.002 0.000 1.397 450 H HN 0.501 nan 8.280 nan 0.000 0.572 451 A N 1.085 123.586 122.820 -0.531 0.000 2.455 451 A HA 0.565 4.880 4.320 -0.007 0.000 0.300 451 A C -1.344 176.029 177.584 -0.353 0.000 1.040 451 A CA -0.593 51.206 52.037 -0.397 0.000 0.697 451 A CB 2.347 21.099 19.000 -0.413 0.000 1.265 451 A HN 0.101 nan 8.150 nan 0.000 0.407 452 V N 4.142 123.803 119.914 -0.422 0.000 2.483 452 V HA 0.505 4.620 4.120 -0.007 0.000 0.297 452 V C -0.802 175.083 176.094 -0.350 0.000 1.027 452 V CA -0.791 61.237 62.300 -0.452 0.000 0.855 452 V CB 1.766 33.123 31.823 -0.776 0.000 0.995 452 V HN 1.003 nan 8.190 nan 0.000 0.424 453 N N 3.296 121.819 118.700 -0.295 0.000 2.238 453 N HA 0.583 5.319 4.740 -0.007 0.000 0.302 453 N C -0.190 175.214 175.510 -0.177 0.000 1.072 453 N CA -0.352 52.575 53.050 -0.206 0.000 0.792 453 N CB 2.837 41.181 38.487 -0.240 0.000 1.425 453 N HN 0.625 nan 8.380 nan 0.000 0.478 454 G N -0.571 108.169 108.800 -0.099 0.000 2.557 454 G HA2 0.396 4.352 3.960 -0.007 0.000 0.292 454 G HA3 0.396 4.352 3.960 -0.007 0.000 0.292 454 G C 0.817 175.779 174.900 0.104 0.000 1.237 454 G CA -0.418 44.692 45.100 0.017 0.000 0.978 454 G HN 0.652 nan 8.290 nan 0.000 0.498 455 V N -3.817 116.263 119.914 0.277 0.000 3.427 455 V HA 0.699 4.814 4.120 -0.007 0.000 0.305 455 V C 0.567 176.734 176.094 0.121 0.000 1.412 455 V CA 0.431 62.803 62.300 0.120 0.000 1.086 455 V CB -0.738 31.104 31.823 0.033 0.000 0.964 455 V HN 1.321 nan 8.190 nan 0.000 0.439 456 A N -0.089 122.815 122.820 0.140 0.000 2.605 456 A HA 0.677 4.993 4.320 -0.007 0.000 0.294 456 A C 0.580 178.213 177.584 0.081 0.000 1.062 456 A CA -0.142 51.958 52.037 0.105 0.000 0.682 456 A CB 1.256 20.307 19.000 0.086 0.000 1.278 456 A HN 0.055 nan 8.150 nan 0.000 0.410 457 R N 0.766 121.293 120.500 0.046 0.000 2.096 457 R HA -0.157 4.179 4.340 -0.007 0.000 0.240 457 R C 1.785 178.084 176.300 -0.001 0.000 1.139 457 R CA 2.314 58.419 56.100 0.009 0.000 0.952 457 R CB -0.298 30.001 30.300 -0.002 0.000 0.854 457 R HN 0.807 nan 8.270 nan 0.000 0.436 458 I N 0.077 120.655 120.570 0.013 0.000 2.208 458 I HA -0.327 3.838 4.170 -0.007 0.000 0.245 458 I C 2.256 178.382 176.117 0.016 0.000 1.097 458 I CA 2.007 63.308 61.300 0.002 0.000 1.363 458 I CB -0.192 37.808 38.000 -0.000 0.000 1.051 458 I HN 0.368 nan 8.210 nan 0.000 0.413 459 H N 0.211 119.252 119.070 -0.048 0.000 2.326 459 H HA -0.106 4.445 4.556 -0.008 0.000 0.301 459 H C 2.297 177.591 175.328 -0.056 0.000 1.081 459 H CA 2.190 58.205 56.048 -0.055 0.000 1.334 459 H CB -0.272 29.464 29.762 -0.044 0.000 1.385 459 H HN 0.251 nan 8.280 nan 0.000 0.504 460 S N 0.454 116.053 115.700 -0.170 0.000 2.399 460 S HA -0.128 4.338 4.470 -0.007 0.000 0.231 460 S C 1.875 176.364 174.600 -0.185 0.000 1.022 460 S CA 1.192 59.273 58.200 -0.199 0.000 0.983 460 S CB -0.072 63.075 63.200 -0.088 0.000 0.803 460 S HN 0.477 nan 8.310 nan 0.000 0.480 461 E N 1.346 121.454 120.200 -0.153 0.000 2.072 461 E HA -0.016 4.330 4.350 -0.007 0.000 0.191 461 E C 2.034 178.513 176.600 -0.201 0.000 0.985 461 E CA 0.755 57.052 56.400 -0.171 0.000 0.801 461 E CB -0.385 29.245 29.700 -0.117 0.000 0.750 461 E HN 0.552 nan 8.360 nan 0.000 0.452 462 I N 1.017 121.482 120.570 -0.176 0.000 2.361 462 I HA -0.237 3.928 4.170 -0.007 0.000 0.251 462 I C 2.463 178.438 176.117 -0.235 0.000 1.133 462 I CA 0.675 61.871 61.300 -0.174 0.000 1.413 462 I CB -0.397 37.530 38.000 -0.122 0.000 1.073 462 I HN 0.030 nan 8.210 nan 0.000 0.424 463 L N 0.893 121.943 121.223 -0.288 0.000 2.012 463 L HA -0.230 4.106 4.340 -0.007 0.000 0.210 463 L C 2.583 179.305 176.870 -0.247 0.000 1.073 463 L CA 1.777 56.460 54.840 -0.261 0.000 0.748 463 L CB -0.582 41.413 42.059 -0.107 0.000 0.891 463 L HN 0.254 nan 8.230 nan 0.000 0.431 464 K N -0.237 119.937 120.400 -0.378 0.000 2.155 464 K HA -0.112 4.204 4.320 -0.007 0.000 0.203 464 K C 2.096 178.451 176.600 -0.409 0.000 1.052 464 K CA 0.866 56.754 56.287 -0.664 0.000 0.948 464 K CB 0.051 31.858 32.500 -1.154 0.000 0.728 464 K HN 0.265 nan 8.250 nan 0.000 0.448 465 K N -0.105 120.126 120.400 -0.281 0.000 2.137 465 K HA -0.051 4.265 4.320 -0.007 0.000 0.202 465 K C 2.070 178.602 176.600 -0.112 0.000 1.052 465 K CA 1.710 57.898 56.287 -0.166 0.000 0.961 465 K CB 0.322 32.739 32.500 -0.140 0.000 0.741 465 K HN 0.280 nan 8.250 nan 0.000 0.452 466 T N -2.223 112.253 114.554 -0.130 0.000 3.388 466 T HA 0.088 4.433 4.350 -0.007 0.000 0.254 466 T C 1.853 176.485 174.700 -0.112 0.000 1.002 466 T CA -0.230 61.810 62.100 -0.100 0.000 1.164 466 T CB -0.532 68.280 68.868 -0.094 0.000 1.184 466 T HN -0.107 nan 8.240 nan 0.000 0.399 467 I N 1.244 121.683 120.570 -0.219 0.000 2.118 467 I HA 0.038 4.204 4.170 -0.007 0.000 0.241 467 I C 1.350 177.289 176.117 -0.297 0.000 1.070 467 I CA 1.784 62.856 61.300 -0.379 0.000 1.327 467 I CB -0.428 37.152 38.000 -0.700 0.000 1.034 467 I HN 0.294 nan 8.210 nan 0.000 0.405 468 F N -0.052 119.945 119.950 0.078 0.000 2.855 468 F HA 0.269 4.791 4.527 -0.008 0.000 0.317 468 F C 1.783 177.616 175.800 0.055 0.000 1.169 468 F CA -0.441 57.679 58.000 0.199 0.000 1.299 468 F CB -0.021 39.132 39.000 0.256 0.000 0.962 468 F HN -0.128 nan 8.300 nan 0.000 0.506 469 K N 0.956 121.421 120.400 0.108 0.000 2.044 469 K HA -0.216 4.099 4.320 -0.007 0.000 0.210 469 K C 1.330 177.951 176.600 0.036 0.000 1.049 469 K CA 2.163 58.473 56.287 0.038 0.000 0.927 469 K CB 0.017 32.513 32.500 -0.006 0.000 0.713 469 K HN 0.211 nan 8.250 nan 0.000 0.443 470 D N -0.254 120.135 120.400 -0.019 0.000 2.144 470 D HA -0.144 4.492 4.640 -0.007 0.000 0.199 470 D C 1.813 178.006 176.300 -0.179 0.000 0.984 470 D CA 1.150 55.022 54.000 -0.214 0.000 0.834 470 D CB -0.240 40.343 40.800 -0.362 0.000 0.955 470 D HN 0.225 nan 8.370 nan 0.000 0.465 471 F N -0.025 119.984 119.950 0.099 0.000 2.186 471 F HA -0.141 4.381 4.527 -0.007 0.000 0.299 471 F C 2.333 178.262 175.800 0.217 0.000 1.090 471 F CA 0.505 58.651 58.000 0.242 0.000 1.307 471 F CB -0.688 38.546 39.000 0.390 0.000 1.019 471 F HN -0.028 nan 8.300 nan 0.000 0.489 472 Y N 1.354 121.584 120.300 -0.117 0.000 2.181 472 Y HA -0.192 4.354 4.550 -0.007 0.000 0.288 472 Y C 2.103 177.980 175.900 -0.038 0.000 1.146 472 Y CA 1.658 59.536 58.100 -0.370 0.000 1.164 472 Y CB -0.640 37.431 38.460 -0.648 0.000 0.982 472 Y HN 0.137 nan 8.280 nan 0.000 0.515 473 E N -0.364 119.750 120.200 -0.143 0.000 2.150 473 E HA -0.179 4.167 4.350 -0.007 0.000 0.193 473 E C 2.007 178.669 176.600 0.103 0.000 0.985 473 E CA 1.090 57.424 56.400 -0.109 0.000 0.814 473 E CB -0.252 29.424 29.700 -0.040 0.000 0.752 473 E HN 0.434 nan 8.360 nan 0.000 0.466 474 L N 0.976 122.302 121.223 0.172 0.000 2.044 474 L HA -0.070 4.266 4.340 -0.007 0.000 0.205 474 L C 0.202 177.159 176.870 0.144 0.000 1.075 474 L CA 1.732 56.727 54.840 0.258 0.000 0.747 474 L CB 0.359 42.567 42.059 0.248 0.000 0.903 474 L HN -0.106 nan 8.230 nan 0.000 0.435 475 E N -0.483 119.776 120.200 0.099 0.000 3.117 475 E HA 0.176 4.521 4.350 -0.007 0.000 0.262 475 E C -2.010 174.447 176.600 -0.239 0.000 1.202 475 E CA -1.209 55.111 56.400 -0.134 0.000 0.853 475 E CB 0.965 30.621 29.700 -0.074 0.000 1.426 475 E HN 0.158 nan 8.360 nan 0.000 0.387 476 P HA -0.225 nan 4.420 nan 0.000 0.217 476 P C 1.049 178.418 177.300 0.115 0.000 1.150 476 P CA 1.424 64.407 63.100 -0.195 0.000 0.832 476 P CB 0.016 31.502 31.700 -0.358 0.000 0.787 477 H N -0.229 118.948 119.070 0.179 0.000 2.489 477 H HA -0.016 4.536 4.556 -0.008 0.000 0.295 477 H C 2.004 177.430 175.328 0.163 0.000 1.082 477 H CA 1.300 57.442 56.048 0.157 0.000 1.295 477 H CB -0.898 28.927 29.762 0.105 0.000 1.380 477 H HN 0.123 nan 8.280 nan 0.000 0.548 478 K N 0.234 120.580 120.400 -0.090 0.000 2.148 478 K HA -0.008 4.307 4.320 -0.007 0.000 0.204 478 K C -0.437 176.070 176.600 -0.155 0.000 1.050 478 K CA 0.283 56.519 56.287 -0.086 0.000 0.942 478 K CB 0.058 32.418 32.500 -0.233 0.000 0.724 478 K HN 0.196 nan 8.250 nan 0.000 0.446 479 F N 1.756 121.747 119.950 0.067 0.000 2.411 479 F HA 0.243 4.766 4.527 -0.008 0.000 0.350 479 F C 0.249 176.052 175.800 0.006 0.000 1.114 479 F CA -0.288 57.745 58.000 0.055 0.000 1.135 479 F CB 1.328 40.408 39.000 0.133 0.000 1.120 479 F HN -0.012 nan 8.300 nan 0.000 0.495 480 Q N 1.896 121.723 119.800 0.045 0.000 2.528 480 Q HA 0.344 4.680 4.340 -0.007 0.000 0.289 480 Q C -1.173 174.784 176.000 -0.071 0.000 1.091 480 Q CA -1.247 54.535 55.803 -0.035 0.000 0.797 480 Q CB 3.131 31.795 28.738 -0.124 0.000 1.466 480 Q HN 0.614 nan 8.270 nan 0.000 0.436 481 N N 0.759 119.400 118.700 -0.099 0.000 2.314 481 N HA 0.261 4.997 4.740 -0.007 0.000 0.304 481 N C -1.395 174.009 175.510 -0.176 0.000 1.073 481 N CA -0.401 52.585 53.050 -0.106 0.000 0.822 481 N CB 0.971 39.419 38.487 -0.065 0.000 1.280 481 N HN 0.276 nan 8.380 nan 0.000 0.489 482 K N 2.784 123.080 120.400 -0.174 0.000 2.675 482 K HA 0.184 4.500 4.320 -0.007 0.000 0.224 482 K C -0.910 175.690 176.600 0.000 0.000 1.003 482 K CA -0.491 55.668 56.287 -0.214 0.000 1.034 482 K CB 1.180 33.319 32.500 -0.602 0.000 1.218 482 K HN 0.537 nan 8.250 nan 0.000 0.507 483 T N 2.105 116.676 114.554 0.028 0.000 2.908 483 T HA 0.040 4.386 4.350 -0.007 0.000 0.301 483 T C 0.792 175.612 174.700 0.200 0.000 1.019 483 T CA 0.392 62.560 62.100 0.113 0.000 1.152 483 T CB 0.240 69.171 68.868 0.106 0.000 0.966 483 T HN 0.361 nan 8.240 nan 0.000 0.540 484 N N 0.626 119.469 118.700 0.238 0.000 2.267 484 N HA 0.388 5.124 4.740 -0.007 0.000 0.226 484 N C 0.476 176.173 175.510 0.311 0.000 1.314 484 N CA -0.132 53.094 53.050 0.294 0.000 0.887 484 N CB 0.380 38.981 38.487 0.191 0.000 1.120 484 N HN 0.756 nan 8.380 nan 0.000 0.440 485 G N -0.605 108.389 108.800 0.324 0.000 2.682 485 G HA2 0.615 4.571 3.960 -0.007 0.000 0.290 485 G HA3 0.615 4.571 3.960 -0.007 0.000 0.290 485 G C -1.397 173.636 174.900 0.222 0.000 1.425 485 G CA -0.740 44.534 45.100 0.290 0.000 0.807 485 G HN 0.600 nan 8.290 nan 0.000 0.482 486 I N -2.276 118.411 120.570 0.194 0.000 2.730 486 I HA 0.728 4.894 4.170 -0.007 0.000 0.298 486 I C -0.177 176.101 176.117 0.269 0.000 1.089 486 I CA -0.932 60.473 61.300 0.176 0.000 1.041 486 I CB 2.468 40.448 38.000 -0.034 0.000 1.235 486 I HN 0.476 nan 8.210 nan 0.000 0.423 487 T N 4.679 119.450 114.554 0.362 0.000 2.814 487 T HA 0.343 4.689 4.350 -0.007 0.000 0.297 487 T C -1.442 173.391 174.700 0.220 0.000 0.956 487 T CA -1.519 60.721 62.100 0.234 0.000 1.123 487 T CB 0.720 69.669 68.868 0.136 0.000 0.902 487 T HN 0.640 nan 8.240 nan 0.000 0.528 488 P HA 0.079 nan 4.420 nan 0.000 0.242 488 P C 1.007 178.285 177.300 -0.036 0.000 1.197 488 P CA 0.214 63.365 63.100 0.085 0.000 0.765 488 P CB 0.373 32.114 31.700 0.069 0.000 0.936 489 R N 0.585 121.018 120.500 -0.112 0.000 2.065 489 R HA 0.030 4.365 4.340 -0.007 0.000 0.224 489 R C 2.657 178.844 176.300 -0.189 0.000 1.161 489 R CA 1.495 57.481 56.100 -0.189 0.000 0.923 489 R CB -1.360 28.832 30.300 -0.180 0.000 0.822 489 R HN -0.000 nan 8.270 nan 0.000 0.437 490 R N -0.701 119.633 120.500 -0.277 0.000 2.103 490 R HA -0.160 4.176 4.340 -0.007 0.000 0.242 490 R C 1.167 177.115 176.300 -0.586 0.000 1.142 490 R CA 1.946 57.717 56.100 -0.550 0.000 0.960 490 R CB -0.227 29.556 30.300 -0.862 0.000 0.858 490 R HN 0.325 nan 8.270 nan 0.000 0.439 491 W N -0.700 120.560 121.300 -0.067 0.000 3.353 491 W HA 0.170 4.825 4.660 -0.008 0.000 0.304 491 W C 0.979 177.471 176.519 -0.045 0.000 1.273 491 W CA -0.713 56.592 57.345 -0.066 0.000 1.773 491 W CB 0.457 29.884 29.460 -0.056 0.000 1.095 491 W HN 0.225 nan 8.180 nan 0.000 0.676 492 L N -2.293 118.988 121.223 0.097 0.000 2.511 492 L HA 0.196 4.531 4.340 -0.007 0.000 0.173 492 L C 1.705 178.592 176.870 0.029 0.000 1.160 492 L CA 0.808 55.699 54.840 0.085 0.000 0.964 492 L CB -0.805 41.335 42.059 0.135 0.000 1.892 492 L HN -0.248 nan 8.230 nan 0.000 0.497 493 V N 1.476 121.383 119.914 -0.011 0.000 2.343 493 V HA -0.241 3.875 4.120 -0.007 0.000 0.247 493 V C 2.494 178.559 176.094 -0.048 0.000 1.051 493 V CA 2.263 64.546 62.300 -0.029 0.000 1.036 493 V CB -0.657 31.114 31.823 -0.086 0.000 0.654 493 V HN 0.370 nan 8.190 nan 0.000 0.451 494 L N 0.599 121.762 121.223 -0.099 0.000 2.007 494 L HA -0.162 4.173 4.340 -0.007 0.000 0.205 494 L C 2.793 179.597 176.870 -0.109 0.000 1.073 494 L CA 2.103 56.868 54.840 -0.125 0.000 0.744 494 L CB -1.134 40.798 42.059 -0.212 0.000 0.898 494 L HN 0.623 nan 8.230 nan 0.000 0.435 495 C N -1.997 117.229 119.300 -0.123 0.000 2.495 495 C HA 0.095 4.550 4.460 -0.007 0.000 0.275 495 C C 1.324 176.293 174.990 -0.034 0.000 1.392 495 C CA -0.091 58.871 59.018 -0.093 0.000 1.766 495 C CB -0.880 26.802 27.740 -0.097 0.000 1.933 495 C HN 0.529 nan 8.230 nan 0.000 0.519 496 N N 0.979 119.671 118.700 -0.013 0.000 2.687 496 N HA 0.273 5.008 4.740 -0.007 0.000 0.275 496 N C -1.810 173.709 175.510 0.015 0.000 1.789 496 N CA -1.504 51.550 53.050 0.007 0.000 0.806 496 N CB 0.666 39.166 38.487 0.022 0.000 1.256 496 N HN 0.256 nan 8.380 nan 0.000 0.500 497 P HA -0.034 nan 4.420 nan 0.000 0.220 497 P C 1.385 178.700 177.300 0.024 0.000 1.148 497 P CA 0.861 63.971 63.100 0.017 0.000 0.803 497 P CB 0.234 31.937 31.700 0.005 0.000 0.782 498 G N 0.590 109.398 108.800 0.012 0.000 2.418 498 G HA2 -0.236 3.720 3.960 -0.007 0.000 0.217 498 G HA3 -0.236 3.720 3.960 -0.007 0.000 0.217 498 G C 1.502 176.404 174.900 0.003 0.000 1.158 498 G CA 0.567 45.670 45.100 0.005 0.000 0.771 498 G HN 0.246 nan 8.290 nan 0.000 0.545 499 L N 1.241 122.467 121.223 0.005 0.000 2.072 499 L HA 0.291 4.626 4.340 -0.007 0.000 0.205 499 L C 3.047 179.938 176.870 0.035 0.000 1.079 499 L CA 1.912 56.752 54.840 -0.000 0.000 0.752 499 L CB -0.729 41.331 42.059 0.001 0.000 0.906 499 L HN 0.221 nan 8.230 nan 0.000 0.436 500 A N -0.706 122.159 122.820 0.075 0.000 1.908 500 A HA -0.267 4.049 4.320 -0.007 0.000 0.218 500 A C 2.252 179.933 177.584 0.161 0.000 1.181 500 A CA 1.897 54.033 52.037 0.165 0.000 0.627 500 A CB -0.670 18.424 19.000 0.157 0.000 0.818 500 A HN 0.538 nan 8.150 nan 0.000 0.445 501 E N 0.541 120.795 120.200 0.091 0.000 2.047 501 E HA -0.147 4.198 4.350 -0.007 0.000 0.191 501 E C 1.858 178.498 176.600 0.065 0.000 0.987 501 E CA 1.528 57.973 56.400 0.075 0.000 0.799 501 E CB -0.501 29.224 29.700 0.042 0.000 0.752 501 E HN 0.741 nan 8.360 nan 0.000 0.449 502 I N -1.674 118.924 120.570 0.048 0.000 2.361 502 I HA -0.151 4.015 4.170 -0.007 0.000 0.251 502 I C 2.143 178.338 176.117 0.129 0.000 1.133 502 I CA 1.100 62.441 61.300 0.068 0.000 1.413 502 I CB -0.369 37.637 38.000 0.010 0.000 1.073 502 I HN 0.017 nan 8.210 nan 0.000 0.424 503 I N 2.053 122.670 120.570 0.078 0.000 2.163 503 I HA -0.225 3.940 4.170 -0.007 0.000 0.240 503 I C 3.032 179.111 176.117 -0.063 0.000 1.081 503 I CA 1.479 62.744 61.300 -0.057 0.000 1.353 503 I CB -0.544 37.265 38.000 -0.318 0.000 1.054 503 I HN 0.310 nan 8.210 nan 0.000 0.407 504 A N 0.334 123.212 122.820 0.097 0.000 1.972 504 A HA -0.231 4.085 4.320 -0.007 0.000 0.219 504 A C 2.153 179.784 177.584 0.079 0.000 1.169 504 A CA 1.648 53.801 52.037 0.194 0.000 0.635 504 A CB -0.624 18.520 19.000 0.240 0.000 0.810 504 A HN 0.467 nan 8.150 nan 0.000 0.446 505 E N -0.838 119.385 120.200 0.039 0.000 2.209 505 E HA -0.189 4.157 4.350 -0.007 0.000 0.196 505 E C 2.129 178.707 176.600 -0.037 0.000 0.993 505 E CA 0.979 57.385 56.400 0.009 0.000 0.819 505 E CB -0.018 29.689 29.700 0.011 0.000 0.745 505 E HN 0.405 nan 8.360 nan 0.000 0.477 506 R N 0.024 120.457 120.500 -0.113 0.000 2.123 506 R HA 0.105 4.440 4.340 -0.007 0.000 0.209 506 R C 2.234 178.496 176.300 -0.063 0.000 1.078 506 R CA 0.774 56.749 56.100 -0.208 0.000 1.028 506 R CB -0.239 29.640 30.300 -0.701 0.000 0.939 506 R HN 0.317 nan 8.270 nan 0.000 0.463 507 I N -3.167 117.380 120.570 -0.037 0.000 4.147 507 I HA 0.458 4.624 4.170 -0.007 0.000 0.329 507 I C 0.454 176.633 176.117 0.103 0.000 1.424 507 I CA 0.065 61.388 61.300 0.038 0.000 1.127 507 I CB 0.740 38.752 38.000 0.020 0.000 1.128 507 I HN 0.158 nan 8.210 nan 0.000 0.417 508 G N 2.236 111.103 108.800 0.111 0.000 2.693 508 G HA2 -0.243 3.712 3.960 -0.007 0.000 0.226 508 G HA3 -0.243 3.712 3.960 -0.007 0.000 0.226 508 G C 0.021 175.050 174.900 0.215 0.000 1.354 508 G CA 0.303 45.479 45.100 0.128 0.000 0.873 508 G HN 0.493 nan 8.290 nan 0.000 0.562 509 E N -0.057 120.211 120.200 0.114 0.000 2.481 509 E HA 0.116 4.461 4.350 -0.007 0.000 0.198 509 E C 1.995 178.526 176.600 -0.115 0.000 1.027 509 E CA 0.357 56.755 56.400 -0.004 0.000 0.900 509 E CB 0.320 30.020 29.700 0.001 0.000 0.993 509 E HN 0.644 nan 8.360 nan 0.000 0.482 510 E N 0.493 120.703 120.200 0.017 0.000 2.160 510 E HA -0.227 4.119 4.350 -0.007 0.000 0.195 510 E C 1.718 178.305 176.600 -0.022 0.000 0.991 510 E CA 1.271 57.679 56.400 0.012 0.000 0.810 510 E CB -0.240 29.494 29.700 0.056 0.000 0.742 510 E HN 0.496 nan 8.360 nan 0.000 0.466 511 Y N -0.284 120.026 120.300 0.016 0.000 2.384 511 Y HA -0.152 4.394 4.550 -0.006 0.000 0.289 511 Y C 1.793 177.677 175.900 -0.027 0.000 1.152 511 Y CA 0.750 58.852 58.100 0.003 0.000 1.258 511 Y CB -0.587 37.879 38.460 0.010 0.000 0.979 511 Y HN -0.047 nan 8.280 nan 0.000 0.549 512 I N 0.881 120.980 120.570 -0.785 0.000 2.361 512 I HA -0.225 3.940 4.170 -0.007 0.000 0.251 512 I C 1.555 177.430 176.117 -0.403 0.000 1.133 512 I CA 1.783 62.655 61.300 -0.714 0.000 1.413 512 I CB -0.370 37.107 38.000 -0.872 0.000 1.073 512 I HN 0.486 nan 8.210 nan 0.000 0.424 513 S N -1.987 113.586 115.700 -0.212 0.000 2.843 513 S HA 0.220 4.685 4.470 -0.007 0.000 0.249 513 S C 0.004 174.598 174.600 -0.011 0.000 1.047 513 S CA -0.550 57.604 58.200 -0.077 0.000 1.042 513 S CB 0.307 63.521 63.200 0.023 0.000 0.936 513 S HN 0.274 nan 8.310 nan 0.000 0.531 514 D N 0.683 121.084 120.400 0.002 0.000 3.118 514 D HA 0.211 4.847 4.640 -0.007 0.000 0.259 514 D C 0.382 176.729 176.300 0.079 0.000 1.292 514 D CA -0.346 53.677 54.000 0.038 0.000 0.784 514 D CB 0.288 41.113 40.800 0.041 0.000 1.413 514 D HN 0.154 nan 8.370 nan 0.000 0.583 515 L N 0.859 122.131 121.223 0.081 0.000 2.265 515 L HA 0.007 4.343 4.340 -0.007 0.000 0.215 515 L C 1.416 178.343 176.870 0.095 0.000 1.117 515 L CA 1.544 56.460 54.840 0.127 0.000 0.782 515 L CB -0.043 42.085 42.059 0.116 0.000 0.914 515 L HN 0.231 nan 8.230 nan 0.000 0.441 516 D N -0.770 119.662 120.400 0.053 0.000 2.309 516 D HA -0.203 4.432 4.640 -0.007 0.000 0.212 516 D C 1.847 178.172 176.300 0.041 0.000 0.968 516 D CA 0.728 54.745 54.000 0.028 0.000 0.882 516 D CB 0.065 40.867 40.800 0.003 0.000 0.918 516 D HN 0.566 nan 8.370 nan 0.000 0.503 517 Q N 0.033 119.875 119.800 0.070 0.000 2.364 517 Q HA -0.035 4.300 4.340 -0.007 0.000 0.207 517 Q C 2.282 178.311 176.000 0.048 0.000 0.970 517 Q CA 0.225 56.072 55.803 0.074 0.000 0.888 517 Q CB 0.052 28.863 28.738 0.122 0.000 0.951 517 Q HN 0.397 nan 8.270 nan 0.000 0.469 518 L N 0.156 121.402 121.223 0.040 0.000 2.261 518 L HA -0.191 4.145 4.340 -0.007 0.000 0.216 518 L C 2.237 179.113 176.870 0.010 0.000 1.114 518 L CA 0.949 55.782 54.840 -0.010 0.000 0.777 518 L CB -0.352 41.711 42.059 0.008 0.000 0.910 518 L HN 0.214 nan 8.230 nan 0.000 0.440 519 R N 0.306 120.818 120.500 0.020 0.000 2.152 519 R HA -0.164 4.171 4.340 -0.007 0.000 0.232 519 R C 2.104 178.407 176.300 0.005 0.000 1.117 519 R CA 0.946 57.055 56.100 0.016 0.000 0.981 519 R CB -0.170 30.136 30.300 0.009 0.000 0.870 519 R HN 0.394 nan 8.270 nan 0.000 0.451 520 K N 0.609 121.012 120.400 0.006 0.000 2.211 520 K HA -0.123 4.192 4.320 -0.007 0.000 0.204 520 K C 1.832 178.448 176.600 0.026 0.000 1.047 520 K CA 0.996 57.285 56.287 0.004 0.000 0.935 520 K CB -0.107 32.410 32.500 0.028 0.000 0.728 520 K HN 0.213 nan 8.250 nan 0.000 0.452 521 L N 0.779 122.026 121.223 0.040 0.000 2.376 521 L HA -0.109 4.227 4.340 -0.007 0.000 0.219 521 L C 1.956 178.874 176.870 0.081 0.000 1.133 521 L CA 0.473 55.362 54.840 0.081 0.000 0.816 521 L CB -0.356 41.709 42.059 0.010 0.000 0.933 521 L HN 0.195 nan 8.230 nan 0.000 0.449 522 L N -0.774 120.462 121.223 0.021 0.000 2.265 522 L HA -0.174 4.161 4.340 -0.007 0.000 0.215 522 L C 2.413 179.240 176.870 -0.071 0.000 1.117 522 L CA 0.779 55.618 54.840 -0.001 0.000 0.782 522 L CB -0.373 41.681 42.059 -0.009 0.000 0.914 522 L HN 0.214 nan 8.230 nan 0.000 0.441 523 S N -1.290 114.294 115.700 -0.193 0.000 2.547 523 S HA -0.097 4.368 4.470 -0.007 0.000 0.235 523 S C 0.901 175.178 174.600 -0.538 0.000 0.980 523 S CA 0.741 58.704 58.200 -0.395 0.000 0.941 523 S CB -0.175 62.688 63.200 -0.563 0.000 0.763 523 S HN 0.425 nan 8.310 nan 0.000 0.532 524 Y N -0.054 120.172 120.300 -0.123 0.000 2.584 524 Y HA 0.235 4.783 4.550 -0.004 0.000 0.254 524 Y C 1.760 177.692 175.900 0.055 0.000 1.177 524 Y CA -0.645 57.391 58.100 -0.106 0.000 1.216 524 Y CB -0.326 37.884 38.460 -0.418 0.000 1.172 524 Y HN 0.168 nan 8.280 nan 0.000 0.529 525 V N -2.781 117.211 119.914 0.130 0.000 2.867 525 V HA -0.151 3.964 4.120 -0.007 0.000 0.260 525 V C 0.702 176.858 176.094 0.104 0.000 1.099 525 V CA 1.985 64.360 62.300 0.125 0.000 1.122 525 V CB -0.026 31.834 31.823 0.063 0.000 0.708 525 V HN 0.240 nan 8.190 nan 0.000 0.490 526 D N -0.438 120.012 120.400 0.082 0.000 2.479 526 D HA 0.155 4.790 4.640 -0.007 0.000 0.218 526 D C 0.203 176.556 176.300 0.088 0.000 1.177 526 D CA 0.046 54.085 54.000 0.065 0.000 0.830 526 D CB 0.244 41.060 40.800 0.027 0.000 1.014 526 D HN 0.532 nan 8.370 nan 0.000 0.503 527 D N 1.924 122.415 120.400 0.152 0.000 2.336 527 D HA -0.012 4.624 4.640 -0.007 0.000 0.249 527 D C 1.145 177.552 176.300 0.177 0.000 1.213 527 D CA 0.002 54.116 54.000 0.190 0.000 0.870 527 D CB 1.322 42.324 40.800 0.336 0.000 1.076 527 D HN -0.127 nan 8.370 nan 0.000 0.483 528 E N 3.097 123.367 120.200 0.115 0.000 2.058 528 E HA -0.190 4.155 4.350 -0.007 0.000 0.194 528 E C 1.777 178.428 176.600 0.083 0.000 0.997 528 E CA 1.002 57.451 56.400 0.082 0.000 0.801 528 E CB -0.277 29.455 29.700 0.054 0.000 0.746 528 E HN 0.655 nan 8.360 nan 0.000 0.450 529 A N 0.659 123.539 122.820 0.101 0.000 1.902 529 A HA -0.171 4.145 4.320 -0.007 0.000 0.217 529 A C 2.147 179.798 177.584 0.111 0.000 1.181 529 A CA 1.308 53.398 52.037 0.089 0.000 0.623 529 A CB -0.893 18.162 19.000 0.090 0.000 0.818 529 A HN 0.278 nan 8.150 nan 0.000 0.443 530 F N 0.195 120.141 119.950 -0.007 0.000 2.146 530 F HA -0.093 4.431 4.527 -0.006 0.000 0.298 530 F C 2.040 177.833 175.800 -0.012 0.000 1.096 530 F CA 1.458 59.434 58.000 -0.039 0.000 1.275 530 F CB -0.089 38.880 39.000 -0.052 0.000 1.008 530 F HN 0.155 nan 8.300 nan 0.000 0.480 531 I N 0.198 120.801 120.570 0.056 0.000 2.163 531 I HA -0.356 3.809 4.170 -0.007 0.000 0.243 531 I C 2.671 178.737 176.117 -0.084 0.000 1.085 531 I CA 1.587 62.871 61.300 -0.027 0.000 1.347 531 I CB -0.590 37.435 38.000 0.041 0.000 1.044 531 I HN 0.108 nan 8.210 nan 0.000 0.408 532 R N 1.006 121.477 120.500 -0.049 0.000 2.080 532 R HA -0.225 4.111 4.340 -0.007 0.000 0.236 532 R C 1.826 178.066 176.300 -0.100 0.000 1.137 532 R CA 2.354 58.421 56.100 -0.056 0.000 0.943 532 R CB -0.284 30.002 30.300 -0.024 0.000 0.846 532 R HN 0.305 nan 8.270 nan 0.000 0.431 533 D N -0.084 120.231 120.400 -0.141 0.000 2.144 533 D HA -0.095 4.541 4.640 -0.007 0.000 0.200 533 D C 2.016 178.165 176.300 -0.252 0.000 0.978 533 D CA 0.958 54.854 54.000 -0.173 0.000 0.833 533 D CB -0.159 40.548 40.800 -0.154 0.000 0.961 533 D HN 0.089 nan 8.370 nan 0.000 0.470 534 V N 1.463 121.130 119.914 -0.410 0.000 2.287 534 V HA -0.261 3.855 4.120 -0.007 0.000 0.248 534 V C 2.514 178.503 176.094 -0.174 0.000 1.053 534 V CA 1.960 64.039 62.300 -0.368 0.000 1.027 534 V CB -0.781 30.761 31.823 -0.469 0.000 0.646 534 V HN 0.196 nan 8.190 nan 0.000 0.447 535 A N -0.363 122.377 122.820 -0.133 0.000 1.930 535 A HA -0.249 4.067 4.320 -0.007 0.000 0.217 535 A C 2.341 179.880 177.584 -0.075 0.000 1.175 535 A CA 2.092 54.084 52.037 -0.075 0.000 0.627 535 A CB -0.479 18.483 19.000 -0.065 0.000 0.815 535 A HN 0.551 nan 8.150 nan 0.000 0.443 536 K N -0.176 120.175 120.400 -0.083 0.000 2.026 536 K HA -0.110 4.206 4.320 -0.007 0.000 0.208 536 K C 1.809 178.375 176.600 -0.057 0.000 1.048 536 K CA 1.739 57.987 56.287 -0.065 0.000 0.929 536 K CB -0.323 32.141 32.500 -0.060 0.000 0.713 536 K HN 0.197 nan 8.250 nan 0.000 0.439 537 V N 1.762 121.635 119.914 -0.069 0.000 2.287 537 V HA -0.253 3.863 4.120 -0.007 0.000 0.248 537 V C 2.433 178.506 176.094 -0.035 0.000 1.053 537 V CA 2.120 64.389 62.300 -0.051 0.000 1.027 537 V CB -0.524 31.259 31.823 -0.065 0.000 0.646 537 V HN 0.391 nan 8.190 nan 0.000 0.447 538 K N 0.551 120.928 120.400 -0.039 0.000 2.032 538 K HA -0.252 4.064 4.320 -0.007 0.000 0.209 538 K C 2.166 178.738 176.600 -0.047 0.000 1.048 538 K CA 2.014 58.287 56.287 -0.023 0.000 0.927 538 K CB -0.551 31.948 32.500 -0.001 0.000 0.712 538 K HN 0.416 nan 8.250 nan 0.000 0.441 539 Q N 0.988 120.751 119.800 -0.060 0.000 2.084 539 Q HA -0.118 4.218 4.340 -0.007 0.000 0.202 539 Q C 1.676 177.653 176.000 -0.037 0.000 0.978 539 Q CA 2.001 57.760 55.803 -0.074 0.000 0.844 539 Q CB -0.134 28.562 28.738 -0.069 0.000 0.898 539 Q HN 0.533 nan 8.270 nan 0.000 0.426 540 E N -0.345 119.844 120.200 -0.018 0.000 2.058 540 E HA -0.183 4.162 4.350 -0.007 0.000 0.194 540 E C 1.774 178.395 176.600 0.035 0.000 0.997 540 E CA 1.179 57.583 56.400 0.007 0.000 0.801 540 E CB -0.117 29.584 29.700 0.002 0.000 0.746 540 E HN 0.431 nan 8.360 nan 0.000 0.450 541 N N 0.898 119.617 118.700 0.032 0.000 2.166 541 N HA -0.136 4.599 4.740 -0.007 0.000 0.186 541 N C 1.500 177.090 175.510 0.133 0.000 1.019 541 N CA 1.034 54.125 53.050 0.068 0.000 0.856 541 N CB -0.117 38.395 38.487 0.043 0.000 0.993 541 N HN 0.130 nan 8.380 nan 0.000 0.426 542 K N 0.609 121.052 120.400 0.072 0.000 2.057 542 K HA 0.023 4.338 4.320 -0.007 0.000 0.206 542 K C 2.102 178.830 176.600 0.213 0.000 1.050 542 K CA 0.663 57.010 56.287 0.101 0.000 0.935 542 K CB -0.161 32.147 32.500 -0.319 0.000 0.715 542 K HN 0.112 nan 8.250 nan 0.000 0.439 543 L N 1.091 122.379 121.223 0.108 0.000 2.017 543 L HA -0.209 4.126 4.340 -0.007 0.000 0.208 543 L C 2.622 179.580 176.870 0.147 0.000 1.073 543 L CA 1.350 56.257 54.840 0.112 0.000 0.745 543 L CB -0.374 41.722 42.059 0.062 0.000 0.894 543 L HN 0.177 nan 8.230 nan 0.000 0.432 544 K N -0.210 120.282 120.400 0.155 0.000 2.057 544 K HA -0.236 4.079 4.320 -0.007 0.000 0.207 544 K C 2.195 178.941 176.600 0.243 0.000 1.049 544 K CA 1.593 57.979 56.287 0.166 0.000 0.931 544 K CB -0.173 32.410 32.500 0.138 0.000 0.714 544 K HN 0.068 nan 8.250 nan 0.000 0.440 545 F N 1.209 121.253 119.950 0.158 0.000 2.146 545 F HA -0.082 4.441 4.527 -0.007 0.000 0.298 545 F C 2.001 177.934 175.800 0.223 0.000 1.096 545 F CA 1.253 59.371 58.000 0.197 0.000 1.275 545 F CB -0.483 38.633 39.000 0.193 0.000 1.008 545 F HN 0.086 nan 8.300 nan 0.000 0.480 546 A N 0.321 123.258 122.820 0.194 0.000 1.908 546 A HA -0.111 4.205 4.320 -0.007 0.000 0.218 546 A C 2.413 179.988 177.584 -0.015 0.000 1.181 546 A CA 1.871 53.934 52.037 0.043 0.000 0.627 546 A CB -1.539 17.540 19.000 0.130 0.000 0.818 546 A HN 0.465 nan 8.150 nan 0.000 0.445 547 A N -1.704 121.147 122.820 0.052 0.000 1.969 547 A HA -0.075 4.240 4.320 -0.007 0.000 0.218 547 A C 2.103 179.704 177.584 0.027 0.000 1.169 547 A CA 1.541 53.605 52.037 0.045 0.000 0.635 547 A CB -0.728 18.317 19.000 0.075 0.000 0.810 547 A HN 0.776 nan 8.150 nan 0.000 0.445 548 Y N 0.414 120.655 120.300 -0.099 0.000 2.163 548 Y HA -0.123 4.422 4.550 -0.007 0.000 0.288 548 Y C 1.895 177.712 175.900 -0.138 0.000 1.136 548 Y CA 1.852 59.882 58.100 -0.118 0.000 1.147 548 Y CB -0.197 38.188 38.460 -0.125 0.000 0.987 548 Y HN 0.200 nan 8.280 nan 0.000 0.509 549 L N 0.132 121.177 121.223 -0.298 0.000 2.141 549 L HA -0.152 4.184 4.340 -0.007 0.000 0.209 549 L C 2.420 179.213 176.870 -0.128 0.000 1.094 549 L CA 1.584 56.275 54.840 -0.247 0.000 0.763 549 L CB -0.508 41.377 42.059 -0.290 0.000 0.908 549 L HN 0.235 nan 8.230 nan 0.000 0.437 550 E N 0.767 120.902 120.200 -0.108 0.000 2.072 550 E HA -0.228 4.118 4.350 -0.007 0.000 0.191 550 E C 2.226 178.778 176.600 -0.079 0.000 0.985 550 E CA 1.287 57.659 56.400 -0.046 0.000 0.801 550 E CB -0.027 29.673 29.700 0.001 0.000 0.750 550 E HN 0.217 nan 8.360 nan 0.000 0.452 551 R N -0.099 120.324 120.500 -0.129 0.000 2.066 551 R HA -0.071 4.265 4.340 -0.007 0.000 0.232 551 R C 1.640 177.796 176.300 -0.240 0.000 1.131 551 R CA 1.593 57.606 56.100 -0.145 0.000 0.955 551 R CB -0.000 30.230 30.300 -0.116 0.000 0.851 551 R HN 0.089 nan 8.270 nan 0.000 0.432 552 E N -0.961 118.985 120.200 -0.424 0.000 2.340 552 E HA -0.062 4.284 4.350 -0.007 0.000 0.194 552 E C 0.547 176.665 176.600 -0.804 0.000 0.996 552 E CA 0.789 56.789 56.400 -0.668 0.000 0.869 552 E CB 0.434 29.529 29.700 -1.008 0.000 0.835 552 E HN 0.491 nan 8.360 nan 0.000 0.493 553 Y N -0.179 120.000 120.300 -0.202 0.000 2.610 553 Y HA 0.203 4.748 4.550 -0.008 0.000 0.254 553 Y C 0.197 176.053 175.900 -0.074 0.000 1.110 553 Y CA -0.640 57.390 58.100 -0.117 0.000 1.238 553 Y CB 0.779 39.170 38.460 -0.115 0.000 1.322 553 Y HN -0.252 nan 8.280 nan 0.000 0.547 554 K N 0.034 120.450 120.400 0.027 0.000 3.016 554 K HA -0.148 4.167 4.320 -0.007 0.000 0.262 554 K C -0.587 176.047 176.600 0.057 0.000 1.043 554 K CA 0.433 56.738 56.287 0.030 0.000 0.761 554 K CB -2.269 30.245 32.500 0.024 0.000 1.230 554 K HN 0.143 nan 8.250 nan 0.000 0.485 555 V N 1.867 121.814 119.914 0.056 0.000 2.383 555 V HA 0.149 4.264 4.120 -0.007 0.000 0.275 555 V C 0.731 176.846 176.094 0.036 0.000 1.036 555 V CA -0.703 61.620 62.300 0.038 0.000 0.889 555 V CB 1.465 33.285 31.823 -0.005 0.000 0.985 555 V HN 0.277 nan 8.190 nan 0.000 0.459 556 H N 6.489 125.543 119.070 -0.027 0.000 2.527 556 H HA 0.580 5.131 4.556 -0.007 0.000 0.321 556 H C -0.625 174.686 175.328 -0.028 0.000 1.087 556 H CA -0.456 55.580 56.048 -0.020 0.000 1.337 556 H CB 1.529 31.285 29.762 -0.009 0.000 1.440 556 H HN 0.715 nan 8.280 nan 0.000 0.490 557 I N 1.989 122.223 120.570 -0.560 0.000 2.646 557 I HA 0.321 4.486 4.170 -0.007 0.000 0.299 557 I C -0.238 175.620 176.117 -0.432 0.000 1.036 557 I CA -1.273 59.806 61.300 -0.369 0.000 1.074 557 I CB 1.897 39.750 38.000 -0.245 0.000 1.258 557 I HN 0.373 nan 8.210 nan 0.000 0.430 558 N N 6.610 125.244 118.700 -0.111 0.000 2.416 558 N HA 0.208 4.943 4.740 -0.007 0.000 0.265 558 N C -1.608 173.994 175.510 0.153 0.000 1.195 558 N CA -2.181 50.892 53.050 0.038 0.000 0.943 558 N CB 0.815 39.354 38.487 0.086 0.000 1.115 558 N HN 0.485 nan 8.380 nan 0.000 0.481 559 P HA -0.045 nan 4.420 nan 0.000 0.223 559 P C -0.361 176.942 177.300 0.005 0.000 1.151 559 P CA 1.029 64.185 63.100 0.092 0.000 0.787 559 P CB 0.219 31.953 31.700 0.056 0.000 0.788 560 N N -0.043 118.683 118.700 0.044 0.000 2.327 560 N HA 0.066 4.801 4.740 -0.007 0.000 0.231 560 N C -0.048 175.495 175.510 0.055 0.000 1.130 560 N CA -0.264 52.806 53.050 0.033 0.000 0.845 560 N CB 0.093 38.609 38.487 0.048 0.000 1.073 560 N HN 0.164 nan 8.380 nan 0.000 0.496 561 S N -0.459 115.275 115.700 0.056 0.000 2.568 561 S HA 0.386 4.851 4.470 -0.007 0.000 0.302 561 S C -0.327 174.240 174.600 -0.056 0.000 1.082 561 S CA -1.040 57.182 58.200 0.037 0.000 1.009 561 S CB 1.647 64.910 63.200 0.105 0.000 1.069 561 S HN 0.176 nan 8.310 nan 0.000 0.500 562 L N 2.770 123.802 121.223 -0.317 0.000 2.477 562 L HA 0.372 4.707 4.340 -0.007 0.000 0.272 562 L C -0.963 175.884 176.870 -0.039 0.000 1.157 562 L CA -0.503 53.970 54.840 -0.611 0.000 0.889 562 L CB -0.189 41.217 42.059 -1.088 0.000 1.158 562 L HN 0.731 nan 8.230 nan 0.000 0.473 563 F N 4.355 124.167 119.950 -0.231 0.000 2.405 563 F HA 0.109 4.632 4.527 -0.006 0.000 0.358 563 F C 0.410 176.138 175.800 -0.120 0.000 1.151 563 F CA -0.849 57.081 58.000 -0.116 0.000 1.161 563 F CB 0.541 39.519 39.000 -0.036 0.000 1.245 563 F HN 0.524 nan 8.300 nan 0.000 0.545 564 D N 4.808 125.211 120.400 0.004 0.000 2.412 564 D HA 0.313 4.949 4.640 -0.007 0.000 0.224 564 D C -1.028 175.216 176.300 -0.093 0.000 1.093 564 D CA -0.203 53.755 54.000 -0.070 0.000 0.850 564 D CB 1.403 42.143 40.800 -0.100 0.000 1.046 564 D HN 0.117 nan 8.370 nan 0.000 0.507 565 V N 4.629 124.471 119.914 -0.119 0.000 2.444 565 V HA 0.349 4.464 4.120 -0.007 0.000 0.294 565 V C -0.164 175.788 176.094 -0.237 0.000 1.022 565 V CA -0.833 61.385 62.300 -0.136 0.000 0.850 565 V CB 1.637 33.464 31.823 0.006 0.000 0.992 565 V HN 0.521 nan 8.190 nan 0.000 0.426 566 Q N 4.012 123.688 119.800 -0.206 0.000 2.401 566 Q HA 0.633 4.969 4.340 -0.007 0.000 0.260 566 Q C -1.235 174.602 176.000 -0.270 0.000 1.034 566 Q CA -0.465 55.202 55.803 -0.227 0.000 0.737 566 Q CB 1.818 30.450 28.738 -0.175 0.000 1.227 566 Q HN 0.799 nan 8.270 nan 0.000 0.488 567 V N 1.630 121.373 119.914 -0.285 0.000 2.487 567 V HA 0.865 4.980 4.120 -0.007 0.000 0.298 567 V C -0.948 174.867 176.094 -0.466 0.000 1.028 567 V CA -0.581 61.346 62.300 -0.621 0.000 0.860 567 V CB 1.159 32.337 31.823 -1.076 0.000 0.991 567 V HN 0.819 nan 8.190 nan 0.000 0.427 568 K N 2.513 122.691 120.400 -0.370 0.000 2.960 568 K HA 0.407 4.722 4.320 -0.007 0.000 0.296 568 K C -1.238 175.397 176.600 0.059 0.000 1.092 568 K CA -1.182 55.087 56.287 -0.030 0.000 0.847 568 K CB 0.804 33.272 32.500 -0.054 0.000 1.458 568 K HN 0.455 nan 8.250 nan 0.000 0.359 569 R N 0.996 121.606 120.500 0.185 0.000 2.698 569 R HA 0.145 4.480 4.340 -0.007 0.000 0.266 569 R C 0.322 176.752 176.300 0.216 0.000 1.026 569 R CA -0.309 55.938 56.100 0.244 0.000 1.102 569 R CB -0.122 30.416 30.300 0.397 0.000 0.978 569 R HN 0.491 nan 8.270 nan 0.000 0.436 570 I N 5.189 125.791 120.570 0.053 0.000 2.363 570 I HA 0.118 4.284 4.170 -0.007 0.000 0.292 570 I C 0.768 176.725 176.117 -0.266 0.000 1.075 570 I CA 0.456 61.715 61.300 -0.068 0.000 1.333 570 I CB -0.440 37.516 38.000 -0.073 0.000 1.415 570 I HN 0.278 nan 8.210 nan 0.000 0.502 571 H N 4.476 123.441 119.070 -0.174 0.000 2.851 571 H HA 0.260 4.811 4.556 -0.007 0.000 0.372 571 H C 0.418 175.605 175.328 -0.235 0.000 1.158 571 H CA -0.588 55.386 56.048 -0.123 0.000 1.159 571 H CB 2.296 31.913 29.762 -0.242 0.000 1.757 571 H HN 0.471 nan 8.280 nan 0.000 0.546 572 E N 1.012 121.219 120.200 0.011 0.000 2.085 572 E HA -0.231 4.114 4.350 -0.007 0.000 0.194 572 E C 1.580 177.880 176.600 -0.499 0.000 0.994 572 E CA 1.741 58.074 56.400 -0.112 0.000 0.801 572 E CB -0.038 29.768 29.700 0.177 0.000 0.743 572 E HN 0.582 nan 8.360 nan 0.000 0.453 573 Y N 0.675 120.407 120.300 -0.947 0.000 2.352 573 Y HA -0.045 4.500 4.550 -0.008 0.000 0.292 573 Y C 1.567 177.223 175.900 -0.405 0.000 1.136 573 Y CA 0.906 58.349 58.100 -1.095 0.000 1.227 573 Y CB -0.147 37.741 38.460 -0.954 0.000 0.991 573 Y HN -0.205 nan 8.280 nan 0.000 0.545 574 K N 0.658 120.574 120.400 -0.807 0.000 2.432 574 K HA 0.060 4.375 4.320 -0.007 0.000 0.196 574 K C 0.139 176.570 176.600 -0.282 0.000 1.038 574 K CA 0.555 56.506 56.287 -0.560 0.000 0.986 574 K CB -0.038 32.118 32.500 -0.573 0.000 0.782 574 K HN 0.267 nan 8.250 nan 0.000 0.485 575 R N 0.311 120.671 120.500 -0.234 0.000 3.423 575 R HA -0.228 4.108 4.340 -0.007 0.000 0.271 575 R C 0.314 176.540 176.300 -0.124 0.000 1.093 575 R CA 0.227 56.244 56.100 -0.139 0.000 0.730 575 R CB -1.960 28.277 30.300 -0.105 0.000 1.190 575 R HN 0.298 nan 8.270 nan 0.000 0.437 576 Q N 0.376 120.103 119.800 -0.122 0.000 2.197 576 Q HA -0.096 4.240 4.340 -0.007 0.000 0.207 576 Q C 2.045 178.005 176.000 -0.067 0.000 0.984 576 Q CA 1.633 57.381 55.803 -0.092 0.000 0.869 576 Q CB -0.027 28.662 28.738 -0.082 0.000 0.906 576 Q HN 0.584 nan 8.270 nan 0.000 0.426 577 L N -0.602 120.584 121.223 -0.062 0.000 2.083 577 L HA -0.193 4.143 4.340 -0.007 0.000 0.209 577 L C 2.054 178.938 176.870 0.023 0.000 1.083 577 L CA 0.592 55.412 54.840 -0.032 0.000 0.752 577 L CB -0.368 41.683 42.059 -0.012 0.000 0.899 577 L HN 0.310 nan 8.230 nan 0.000 0.433 578 L N -0.008 121.223 121.223 0.013 0.000 2.046 578 L HA -0.233 4.102 4.340 -0.007 0.000 0.208 578 L C 2.043 178.990 176.870 0.129 0.000 1.077 578 L CA 1.887 56.752 54.840 0.041 0.000 0.747 578 L CB -0.821 41.158 42.059 -0.134 0.000 0.896 578 L HN 0.276 nan 8.230 nan 0.000 0.432 579 N N -1.589 117.149 118.700 0.063 0.000 2.069 579 N HA -0.248 4.488 4.740 -0.007 0.000 0.191 579 N C 1.961 177.560 175.510 0.149 0.000 1.031 579 N CA 1.703 54.866 53.050 0.189 0.000 0.852 579 N CB -0.145 38.377 38.487 0.059 0.000 1.018 579 N HN 0.499 nan 8.380 nan 0.000 0.423 580 C N 0.661 119.983 119.300 0.036 0.000 2.398 580 C HA -0.122 4.334 4.460 -0.007 0.000 0.276 580 C C 2.623 177.615 174.990 0.003 0.000 1.222 580 C CA 0.498 59.488 59.018 -0.046 0.000 1.746 580 C CB -1.313 26.347 27.740 -0.133 0.000 2.039 580 C HN 0.502 nan 8.230 nan 0.000 0.470 581 L N -0.461 120.830 121.223 0.113 0.000 2.042 581 L HA -0.214 4.122 4.340 -0.007 0.000 0.210 581 L C 2.750 179.796 176.870 0.293 0.000 1.076 581 L CA 1.920 56.883 54.840 0.204 0.000 0.749 581 L CB -1.070 41.176 42.059 0.313 0.000 0.893 581 L HN 0.594 nan 8.230 nan 0.000 0.432 582 H N -0.071 119.122 119.070 0.206 0.000 2.357 582 H HA -0.129 4.423 4.556 -0.007 0.000 0.301 582 H C 2.240 177.567 175.328 -0.003 0.000 1.082 582 H CA 1.839 57.918 56.048 0.052 0.000 1.342 582 H CB 0.345 30.050 29.762 -0.095 0.000 1.389 582 H HN 0.100 nan 8.280 nan 0.000 0.511 583 V N 1.570 121.398 119.914 -0.143 0.000 2.287 583 V HA -0.283 3.832 4.120 -0.007 0.000 0.248 583 V C 2.817 178.850 176.094 -0.102 0.000 1.053 583 V CA 1.956 64.138 62.300 -0.197 0.000 1.027 583 V CB -0.537 31.215 31.823 -0.118 0.000 0.646 583 V HN 0.385 nan 8.190 nan 0.000 0.447 584 I N -0.088 120.465 120.570 -0.028 0.000 2.286 584 I HA -0.229 3.937 4.170 -0.007 0.000 0.248 584 I C 2.524 178.731 176.117 0.150 0.000 1.115 584 I CA 1.752 63.121 61.300 0.115 0.000 1.392 584 I CB -0.757 37.304 38.000 0.102 0.000 1.065 584 I HN 0.326 nan 8.210 nan 0.000 0.418 585 T N 1.556 116.151 114.554 0.067 0.000 2.652 585 T HA -0.164 4.181 4.350 -0.007 0.000 0.267 585 T C 1.970 176.641 174.700 -0.047 0.000 1.039 585 T CA 1.376 63.503 62.100 0.046 0.000 1.153 585 T CB -0.414 68.502 68.868 0.080 0.000 0.863 585 T HN 0.248 nan 8.240 nan 0.000 0.428 586 L N -0.401 120.714 121.223 -0.180 0.000 2.012 586 L HA -0.155 4.181 4.340 -0.007 0.000 0.210 586 L C 2.389 179.227 176.870 -0.054 0.000 1.073 586 L CA 1.885 56.615 54.840 -0.183 0.000 0.748 586 L CB -0.690 41.186 42.059 -0.306 0.000 0.891 586 L HN 0.313 nan 8.230 nan 0.000 0.431 587 Y N 1.335 121.585 120.300 -0.083 0.000 2.097 587 Y HA -0.304 4.241 4.550 -0.008 0.000 0.282 587 Y C 2.574 178.473 175.900 -0.001 0.000 1.152 587 Y CA 1.949 60.043 58.100 -0.010 0.000 1.136 587 Y CB -0.158 38.350 38.460 0.081 0.000 0.975 587 Y HN 0.216 nan 8.280 nan 0.000 0.498 588 N N 0.445 119.129 118.700 -0.027 0.000 2.166 588 N HA -0.153 4.583 4.740 -0.007 0.000 0.186 588 N C 1.855 177.267 175.510 -0.163 0.000 1.019 588 N CA 1.583 54.551 53.050 -0.136 0.000 0.856 588 N CB -0.401 38.081 38.487 -0.008 0.000 0.993 588 N HN 0.447 nan 8.380 nan 0.000 0.426 589 R N 0.409 120.840 120.500 -0.114 0.000 2.075 589 R HA 0.062 4.398 4.340 -0.007 0.000 0.232 589 R C 2.248 178.469 176.300 -0.131 0.000 1.126 589 R CA 0.753 56.789 56.100 -0.106 0.000 0.963 589 R CB -0.271 29.977 30.300 -0.087 0.000 0.858 589 R HN 0.237 nan 8.270 nan 0.000 0.435 590 I N 0.957 121.429 120.570 -0.163 0.000 2.179 590 I HA -0.289 3.876 4.170 -0.007 0.000 0.242 590 I C 2.080 178.084 176.117 -0.188 0.000 1.088 590 I CA 1.230 62.431 61.300 -0.165 0.000 1.357 590 I CB -0.166 37.736 38.000 -0.163 0.000 1.051 590 I HN 0.016 nan 8.210 nan 0.000 0.409 591 K N 1.056 121.282 120.400 -0.289 0.000 2.147 591 K HA -0.145 4.171 4.320 -0.007 0.000 0.205 591 K C 1.987 178.489 176.600 -0.163 0.000 1.049 591 K CA 1.319 57.448 56.287 -0.264 0.000 0.936 591 K CB -0.336 31.929 32.500 -0.392 0.000 0.722 591 K HN 0.365 nan 8.250 nan 0.000 0.446 592 K N 0.622 120.935 120.400 -0.145 0.000 2.103 592 K HA -0.059 4.257 4.320 -0.007 0.000 0.204 592 K C 0.268 176.822 176.600 -0.076 0.000 1.052 592 K CA 0.913 57.140 56.287 -0.100 0.000 0.945 592 K CB 0.195 32.642 32.500 -0.088 0.000 0.722 592 K HN 0.163 nan 8.250 nan 0.000 0.443 593 E N 0.099 120.252 120.200 -0.078 0.000 3.386 593 E HA 0.085 4.431 4.350 -0.007 0.000 0.236 593 E C -2.211 174.356 176.600 -0.055 0.000 1.227 593 E CA -1.261 55.105 56.400 -0.055 0.000 0.970 593 E CB 1.352 31.026 29.700 -0.044 0.000 1.343 593 E HN 0.035 nan 8.360 nan 0.000 0.397 594 P HA -0.152 nan 4.420 nan 0.000 0.221 594 P C 0.589 177.876 177.300 -0.023 0.000 1.145 594 P CA 0.995 64.066 63.100 -0.048 0.000 0.795 594 P CB 0.393 32.067 31.700 -0.043 0.000 0.775 595 N N -0.224 118.469 118.700 -0.011 0.000 2.463 595 N HA -0.039 4.696 4.740 -0.007 0.000 0.181 595 N C 0.864 176.393 175.510 0.032 0.000 1.078 595 N CA 0.461 53.517 53.050 0.011 0.000 0.902 595 N CB -0.155 38.337 38.487 0.009 0.000 0.970 595 N HN 0.305 nan 8.380 nan 0.000 0.451 596 K N 1.020 121.430 120.400 0.017 0.000 2.312 596 K HA 0.042 4.357 4.320 -0.007 0.000 0.287 596 K C -0.564 176.071 176.600 0.058 0.000 1.062 596 K CA -0.450 55.861 56.287 0.039 0.000 0.934 596 K CB 0.267 32.770 32.500 0.005 0.000 1.027 596 K HN -0.161 nan 8.250 nan 0.000 0.478 597 F N 5.764 125.703 119.950 -0.019 0.000 2.572 597 F HA 0.129 4.651 4.527 -0.008 0.000 0.370 597 F C -0.423 175.364 175.800 -0.021 0.000 1.103 597 F CA -0.009 57.981 58.000 -0.017 0.000 1.286 597 F CB 0.538 39.531 39.000 -0.011 0.000 1.105 597 F HN 0.231 nan 8.300 nan 0.000 0.583 598 V N 4.397 123.738 119.914 -0.956 0.000 2.876 598 V HA 0.535 4.650 4.120 -0.007 0.000 0.312 598 V C -0.625 174.753 176.094 -1.193 0.000 1.085 598 V CA -1.262 60.552 62.300 -0.810 0.000 0.945 598 V CB 1.033 32.622 31.823 -0.390 0.000 1.017 598 V HN 0.613 nan 8.190 nan 0.000 0.428 599 V N 4.776 124.288 119.914 -0.670 0.000 2.475 599 V HA 0.149 4.264 4.120 -0.007 0.000 0.292 599 V C -1.837 174.066 176.094 -0.319 0.000 1.003 599 V CA -0.317 61.766 62.300 -0.362 0.000 1.120 599 V CB 0.223 31.971 31.823 -0.126 0.000 0.937 599 V HN 0.892 nan 8.190 nan 0.000 0.476 600 P HA 0.218 nan 4.420 nan 0.000 0.265 600 P C -0.333 176.868 177.300 -0.164 0.000 1.193 600 P CA 0.212 63.219 63.100 -0.155 0.000 0.765 600 P CB 0.439 32.108 31.700 -0.051 0.000 0.823 601 R N 1.429 121.845 120.500 -0.140 0.000 2.686 601 R HA 0.506 4.841 4.340 -0.007 0.000 0.286 601 R C -0.691 175.563 176.300 -0.075 0.000 0.969 601 R CA -0.625 55.395 56.100 -0.133 0.000 0.898 601 R CB 1.862 32.064 30.300 -0.163 0.000 1.183 601 R HN 0.294 nan 8.270 nan 0.000 0.456 602 T N 2.275 116.803 114.554 -0.043 0.000 2.801 602 T HA 0.216 4.561 4.350 -0.007 0.000 0.306 602 T C -0.107 174.511 174.700 -0.138 0.000 1.020 602 T CA -0.469 61.564 62.100 -0.111 0.000 0.948 602 T CB 1.034 69.766 68.868 -0.227 0.000 0.962 602 T HN 0.146 nan 8.240 nan 0.000 0.465 603 V N 6.122 125.961 119.914 -0.125 0.000 2.385 603 V HA 0.369 4.484 4.120 -0.007 0.000 0.269 603 V C 0.148 176.165 176.094 -0.129 0.000 1.043 603 V CA -0.354 61.877 62.300 -0.115 0.000 0.906 603 V CB 0.358 32.126 31.823 -0.093 0.000 0.995 603 V HN 0.854 nan 8.190 nan 0.000 0.467 604 M N 6.912 126.425 119.600 -0.145 0.000 2.227 604 M HA 0.626 5.101 4.480 -0.007 0.000 0.335 604 M C -0.978 175.210 176.300 -0.187 0.000 1.053 604 M CA -0.185 55.018 55.300 -0.162 0.000 0.973 604 M CB 1.874 34.377 32.600 -0.161 0.000 1.623 604 M HN 0.397 nan 8.290 nan 0.000 0.434 605 I N 1.880 122.312 120.570 -0.231 0.000 2.498 605 I HA 0.823 4.988 4.170 -0.007 0.000 0.290 605 I C 0.062 175.792 176.117 -0.646 0.000 1.032 605 I CA -0.622 60.501 61.300 -0.297 0.000 1.073 605 I CB 2.294 40.212 38.000 -0.136 0.000 1.251 605 I HN 0.817 nan 8.210 nan 0.000 0.426 606 G N 2.991 111.391 108.800 -0.666 0.000 2.660 606 G HA2 0.848 4.803 3.960 -0.007 0.000 0.294 606 G HA3 0.848 4.803 3.960 -0.007 0.000 0.294 606 G C -0.970 173.635 174.900 -0.493 0.000 1.369 606 G CA -0.834 43.740 45.100 -0.876 0.000 0.912 606 G HN 0.994 nan 8.290 nan 0.000 0.479 607 G N -0.309 108.379 108.800 -0.187 0.000 2.352 607 G HA2 0.390 4.345 3.960 -0.007 0.000 0.303 607 G HA3 0.390 4.345 3.960 -0.007 0.000 0.303 607 G C -1.254 173.806 174.900 0.266 0.000 1.593 607 G CA -1.064 44.106 45.100 0.116 0.000 0.963 607 G HN 0.611 nan 8.290 nan 0.000 0.685 608 K N 0.062 120.602 120.400 0.234 0.000 2.143 608 K HA 0.726 5.042 4.320 -0.007 0.000 0.272 608 K C 0.392 177.124 176.600 0.219 0.000 1.001 608 K CA -0.109 56.324 56.287 0.244 0.000 0.915 608 K CB 1.959 34.486 32.500 0.046 0.000 1.047 608 K HN 0.865 nan 8.250 nan 0.000 0.458 609 A N 1.586 124.562 122.820 0.259 0.000 2.306 609 A HA 0.604 4.920 4.320 -0.007 0.000 0.314 609 A C -0.346 177.396 177.584 0.263 0.000 1.164 609 A CA -0.713 51.404 52.037 0.133 0.000 0.822 609 A CB 0.858 19.868 19.000 0.018 0.000 1.130 609 A HN 0.787 nan 8.150 nan 0.000 0.496 610 A N 3.683 126.635 122.820 0.220 0.000 2.548 610 A HA 0.441 4.756 4.320 -0.007 0.000 0.247 610 A C -1.351 176.332 177.584 0.164 0.000 1.067 610 A CA -0.745 51.445 52.037 0.256 0.000 0.757 610 A CB -0.411 18.744 19.000 0.258 0.000 0.996 610 A HN 0.606 nan 8.150 nan 0.000 0.504 611 P HA -0.168 nan 4.420 nan 0.000 0.217 611 P C 1.260 178.567 177.300 0.012 0.000 1.151 611 P CA 2.047 65.106 63.100 -0.069 0.000 0.849 611 P CB 0.205 31.810 31.700 -0.159 0.000 0.787 612 G N -2.937 105.901 108.800 0.064 0.000 3.448 612 G HA2 -0.035 3.921 3.960 -0.007 0.000 0.261 612 G HA3 -0.035 3.921 3.960 -0.007 0.000 0.261 612 G C -0.479 174.480 174.900 0.098 0.000 1.173 612 G CA -0.065 45.070 45.100 0.058 0.000 0.835 612 G HN 0.314 nan 8.290 nan 0.000 0.534 613 Y N 1.085 121.378 120.300 -0.012 0.000 2.854 613 Y HA 0.243 4.788 4.550 -0.008 0.000 0.330 613 Y C 1.463 177.377 175.900 0.024 0.000 1.037 613 Y CA -1.163 56.926 58.100 -0.017 0.000 1.263 613 Y CB 0.311 38.754 38.460 -0.028 0.000 1.120 613 Y HN 0.336 nan 8.280 nan 0.000 0.532 614 H N 4.061 123.264 119.070 0.222 0.000 2.319 614 H HA -0.222 4.329 4.556 -0.007 0.000 0.297 614 H C 1.726 177.092 175.328 0.062 0.000 1.097 614 H CA 2.469 58.581 56.048 0.107 0.000 1.285 614 H CB 0.390 30.198 29.762 0.078 0.000 1.368 614 H HN 0.732 nan 8.280 nan 0.000 0.495 615 M N 1.015 120.623 119.600 0.014 0.000 2.117 615 M HA -0.069 4.406 4.480 -0.007 0.000 0.262 615 M C 2.578 178.659 176.300 -0.365 0.000 1.065 615 M CA 1.876 57.094 55.300 -0.137 0.000 1.114 615 M CB -0.710 31.946 32.600 0.094 0.000 1.361 615 M HN 0.333 nan 8.290 nan 0.000 0.408 616 A N -0.291 122.081 122.820 -0.747 0.000 1.933 616 A HA -0.203 4.113 4.320 -0.007 0.000 0.218 616 A C 2.192 179.583 177.584 -0.321 0.000 1.175 616 A CA 1.947 53.578 52.037 -0.677 0.000 0.628 616 A CB -0.671 17.727 19.000 -1.002 0.000 0.814 616 A HN 0.599 nan 8.150 nan 0.000 0.444 617 K N -1.186 119.077 120.400 -0.228 0.000 2.097 617 K HA -0.049 4.267 4.320 -0.007 0.000 0.205 617 K C 1.960 178.524 176.600 -0.059 0.000 1.050 617 K CA 1.271 57.510 56.287 -0.079 0.000 0.938 617 K CB -0.216 32.292 32.500 0.014 0.000 0.718 617 K HN 0.338 nan 8.250 nan 0.000 0.442 618 M N 0.554 120.069 119.600 -0.142 0.000 2.175 618 M HA -0.083 4.392 4.480 -0.007 0.000 0.264 618 M C 2.128 178.365 176.300 -0.106 0.000 1.063 618 M CA 1.416 56.671 55.300 -0.074 0.000 1.119 618 M CB -0.643 31.893 32.600 -0.106 0.000 1.377 618 M HN 0.122 nan 8.290 nan 0.000 0.415 619 I N -0.123 120.347 120.570 -0.166 0.000 2.226 619 I HA -0.308 3.858 4.170 -0.007 0.000 0.245 619 I C 2.299 178.286 176.117 -0.217 0.000 1.100 619 I CA 1.069 62.258 61.300 -0.184 0.000 1.374 619 I CB -0.328 37.567 38.000 -0.174 0.000 1.057 619 I HN 0.173 nan 8.210 nan 0.000 0.413 620 I N 0.659 121.082 120.570 -0.245 0.000 2.163 620 I HA -0.326 3.839 4.170 -0.007 0.000 0.243 620 I C 2.611 178.437 176.117 -0.485 0.000 1.085 620 I CA 1.353 62.401 61.300 -0.419 0.000 1.347 620 I CB -0.369 37.342 38.000 -0.481 0.000 1.044 620 I HN 0.167 nan 8.210 nan 0.000 0.408 621 K N 1.282 121.407 120.400 -0.459 0.000 2.103 621 K HA -0.208 4.107 4.320 -0.007 0.000 0.207 621 K C 1.953 178.369 176.600 -0.307 0.000 1.048 621 K CA 1.491 57.418 56.287 -0.600 0.000 0.930 621 K CB -0.555 31.274 32.500 -1.118 0.000 0.716 621 K HN 0.129 nan 8.250 nan 0.000 0.444 622 L N 0.713 121.766 121.223 -0.283 0.000 2.046 622 L HA -0.033 4.302 4.340 -0.007 0.000 0.208 622 L C 1.957 178.567 176.870 -0.434 0.000 1.077 622 L CA 1.614 56.105 54.840 -0.582 0.000 0.747 622 L CB -0.466 41.155 42.059 -0.730 0.000 0.896 622 L HN 0.280 nan 8.230 nan 0.000 0.432 623 I N -0.587 119.797 120.570 -0.309 0.000 2.163 623 I HA -0.353 3.813 4.170 -0.007 0.000 0.243 623 I C 2.463 178.475 176.117 -0.174 0.000 1.085 623 I CA 1.947 63.130 61.300 -0.196 0.000 1.347 623 I CB -0.922 37.069 38.000 -0.016 0.000 1.044 623 I HN 0.481 nan 8.210 nan 0.000 0.408 624 T N -0.798 113.629 114.554 -0.213 0.000 2.821 624 T HA -0.082 4.263 4.350 -0.007 0.000 0.267 624 T C 1.985 176.610 174.700 -0.125 0.000 1.046 624 T CA 0.962 62.965 62.100 -0.163 0.000 1.139 624 T CB -0.524 68.207 68.868 -0.229 0.000 0.871 624 T HN 0.348 nan 8.240 nan 0.000 0.454 625 A N 1.511 124.247 122.820 -0.140 0.000 1.930 625 A HA 0.146 4.462 4.320 -0.007 0.000 0.217 625 A C 2.381 179.947 177.584 -0.029 0.000 1.175 625 A CA 1.257 53.276 52.037 -0.031 0.000 0.627 625 A CB -0.825 18.259 19.000 0.140 0.000 0.815 625 A HN 0.588 nan 8.150 nan 0.000 0.443 626 I N -0.238 120.190 120.570 -0.237 0.000 2.226 626 I HA -0.212 3.954 4.170 -0.007 0.000 0.245 626 I C 2.712 178.762 176.117 -0.112 0.000 1.100 626 I CA 1.163 62.270 61.300 -0.320 0.000 1.374 626 I CB -0.628 37.064 38.000 -0.513 0.000 1.057 626 I HN 0.390 nan 8.210 nan 0.000 0.413 627 G N 0.426 109.167 108.800 -0.098 0.000 2.440 627 G HA2 -0.262 3.693 3.960 -0.007 0.000 0.218 627 G HA3 -0.262 3.693 3.960 -0.007 0.000 0.218 627 G C 1.270 176.186 174.900 0.026 0.000 1.154 627 G CA 0.988 46.059 45.100 -0.049 0.000 0.767 627 G HN 0.287 nan 8.290 nan 0.000 0.552 628 D N 0.067 120.500 120.400 0.055 0.000 2.149 628 D HA -0.096 4.539 4.640 -0.007 0.000 0.198 628 D C 2.697 179.082 176.300 0.142 0.000 0.990 628 D CA 0.844 54.917 54.000 0.122 0.000 0.839 628 D CB -0.191 40.621 40.800 0.020 0.000 0.948 628 D HN 0.266 nan 8.370 nan 0.000 0.460 629 V N 0.210 120.144 119.914 0.032 0.000 2.300 629 V HA -0.139 3.976 4.120 -0.007 0.000 0.241 629 V C 2.652 178.699 176.094 -0.079 0.000 1.034 629 V CA 0.730 62.979 62.300 -0.086 0.000 1.021 629 V CB -0.456 31.212 31.823 -0.258 0.000 0.662 629 V HN 0.011 nan 8.190 nan 0.000 0.458 630 V N 1.178 120.997 119.914 -0.157 0.000 2.287 630 V HA -0.248 3.868 4.120 -0.007 0.000 0.248 630 V C 2.133 178.216 176.094 -0.018 0.000 1.053 630 V CA 2.231 64.455 62.300 -0.126 0.000 1.027 630 V CB -0.926 30.825 31.823 -0.120 0.000 0.646 630 V HN 0.584 nan 8.190 nan 0.000 0.447 631 N N -0.496 118.151 118.700 -0.089 0.000 2.550 631 N HA -0.080 4.656 4.740 -0.007 0.000 0.186 631 N C 1.129 176.373 175.510 -0.443 0.000 1.110 631 N CA 0.847 53.745 53.050 -0.253 0.000 0.912 631 N CB -0.254 38.027 38.487 -0.343 0.000 0.968 631 N HN 0.699 nan 8.380 nan 0.000 0.448 632 H N -1.651 117.425 119.070 0.010 0.000 2.923 632 H HA 0.200 4.752 4.556 -0.007 0.000 0.268 632 H C -0.532 174.817 175.328 0.035 0.000 1.148 632 H CA -0.526 55.529 56.048 0.013 0.000 1.146 632 H CB 0.646 30.403 29.762 -0.008 0.000 1.607 632 H HN -0.023 nan 8.280 nan 0.000 0.566 633 D N 2.611 123.096 120.400 0.142 0.000 2.325 633 D HA 0.022 4.658 4.640 -0.007 0.000 0.251 633 D C -1.396 174.968 176.300 0.106 0.000 1.196 633 D CA -2.079 52.018 54.000 0.161 0.000 0.866 633 D CB 1.637 42.619 40.800 0.304 0.000 1.101 633 D HN 0.152 nan 8.370 nan 0.000 0.476 634 P HA -0.118 nan 4.420 nan 0.000 0.222 634 P C 1.492 178.816 177.300 0.039 0.000 1.147 634 P CA 0.367 63.498 63.100 0.051 0.000 0.790 634 P CB 0.525 32.251 31.700 0.043 0.000 0.780 635 V N -0.181 119.758 119.914 0.041 0.000 2.548 635 V HA -0.141 3.975 4.120 -0.007 0.000 0.249 635 V C 2.723 178.823 176.094 0.010 0.000 1.055 635 V CA 1.411 63.720 62.300 0.014 0.000 1.065 635 V CB -0.784 31.034 31.823 -0.008 0.000 0.681 635 V HN -0.032 nan 8.190 nan 0.000 0.462 636 V N -0.309 119.628 119.914 0.039 0.000 2.331 636 V HA 0.222 4.338 4.120 -0.007 0.000 0.242 636 V C 1.935 178.044 176.094 0.024 0.000 1.034 636 V CA 1.353 63.677 62.300 0.039 0.000 1.027 636 V CB -1.177 30.718 31.823 0.120 0.000 0.667 636 V HN 0.652 nan 8.190 nan 0.000 0.457 637 G N 1.998 110.816 108.800 0.030 0.000 2.634 637 G HA2 -0.434 3.521 3.960 -0.007 0.000 0.309 637 G HA3 -0.434 3.521 3.960 -0.007 0.000 0.309 637 G C 0.488 175.395 174.900 0.012 0.000 1.265 637 G CA 0.757 45.868 45.100 0.017 0.000 0.998 637 G HN 0.689 nan 8.290 nan 0.000 0.551 638 D N 0.567 120.979 120.400 0.021 0.000 2.328 638 D HA 0.112 4.747 4.640 -0.007 0.000 0.226 638 D C 2.040 178.344 176.300 0.007 0.000 1.066 638 D CA 0.513 54.530 54.000 0.029 0.000 0.861 638 D CB -0.212 40.627 40.800 0.065 0.000 0.912 638 D HN 0.620 nan 8.370 nan 0.000 0.521 639 R N -0.818 119.675 120.500 -0.013 0.000 2.148 639 R HA 0.168 4.504 4.340 -0.007 0.000 0.223 639 R C 0.061 176.318 176.300 -0.071 0.000 1.088 639 R CA 0.447 56.514 56.100 -0.056 0.000 0.985 639 R CB 0.071 30.326 30.300 -0.075 0.000 0.880 639 R HN 0.154 nan 8.270 nan 0.000 0.451 640 L N -0.039 121.160 121.223 -0.040 0.000 2.543 640 L HA 0.407 4.742 4.340 -0.007 0.000 0.265 640 L C -1.572 175.278 176.870 -0.032 0.000 0.945 640 L CA -0.659 54.154 54.840 -0.044 0.000 0.869 640 L CB 1.958 43.999 42.059 -0.030 0.000 1.294 640 L HN -0.192 nan 8.230 nan 0.000 0.405 641 R N 3.047 123.514 120.500 -0.056 0.000 2.621 641 R HA 0.889 5.224 4.340 -0.007 0.000 0.284 641 R C -1.869 174.381 176.300 -0.084 0.000 0.998 641 R CA -0.602 55.458 56.100 -0.067 0.000 0.895 641 R CB 2.252 32.512 30.300 -0.067 0.000 1.195 641 R HN 0.451 nan 8.270 nan 0.000 0.450 642 V N 6.204 126.068 119.914 -0.084 0.000 2.407 642 V HA 0.487 4.602 4.120 -0.007 0.000 0.291 642 V C -0.240 175.812 176.094 -0.069 0.000 1.018 642 V CA -0.685 61.564 62.300 -0.084 0.000 0.842 642 V CB 1.212 32.981 31.823 -0.089 0.000 0.996 642 V HN 0.687 nan 8.190 nan 0.000 0.426 643 I N 1.200 121.727 120.570 -0.072 0.000 2.545 643 I HA 0.673 4.838 4.170 -0.007 0.000 0.292 643 I C -1.163 174.942 176.117 -0.019 0.000 1.040 643 I CA -0.762 60.510 61.300 -0.048 0.000 1.068 643 I CB 2.085 40.035 38.000 -0.084 0.000 1.251 643 I HN 0.464 nan 8.210 nan 0.000 0.424 644 F N 6.676 126.561 119.950 -0.107 0.000 2.391 644 F HA 0.533 5.056 4.527 -0.007 0.000 0.359 644 F C -0.435 175.307 175.800 -0.096 0.000 1.122 644 F CA -0.580 57.361 58.000 -0.098 0.000 1.120 644 F CB 0.953 39.897 39.000 -0.095 0.000 1.142 644 F HN 0.405 nan 8.300 nan 0.000 0.483 645 L N 6.225 127.138 121.223 -0.517 0.000 2.385 645 L HA 0.156 4.492 4.340 -0.007 0.000 0.281 645 L C 0.416 177.137 176.870 -0.248 0.000 1.106 645 L CA -0.091 54.571 54.840 -0.297 0.000 0.856 645 L CB 0.368 42.322 42.059 -0.175 0.000 1.186 645 L HN 0.633 nan 8.230 nan 0.000 0.453 646 E N 4.534 124.697 120.200 -0.061 0.000 2.360 646 E HA -0.074 4.272 4.350 -0.007 0.000 0.269 646 E C 0.404 177.107 176.600 0.172 0.000 1.022 646 E CA -0.371 56.106 56.400 0.129 0.000 0.887 646 E CB 0.430 30.163 29.700 0.055 0.000 0.990 646 E HN 0.580 nan 8.360 nan 0.000 0.426 647 N N 2.656 121.499 118.700 0.238 0.000 2.756 647 N HA -0.273 4.462 4.740 -0.007 0.000 0.248 647 N C -1.560 174.058 175.510 0.179 0.000 1.062 647 N CA 0.567 53.742 53.050 0.209 0.000 0.696 647 N CB -1.763 36.857 38.487 0.221 0.000 0.946 647 N HN 0.550 nan 8.380 nan 0.000 0.548 648 Y N 1.666 121.995 120.300 0.049 0.000 2.721 648 Y HA 0.143 4.688 4.550 -0.008 0.000 0.329 648 Y C 1.129 177.057 175.900 0.046 0.000 1.211 648 Y CA 0.749 58.861 58.100 0.020 0.000 1.512 648 Y CB 0.289 38.727 38.460 -0.036 0.000 1.249 648 Y HN 0.363 nan 8.280 nan 0.000 0.549 649 R N 2.575 122.709 120.500 -0.610 0.000 2.762 649 R HA 0.429 4.764 4.340 -0.007 0.000 0.271 649 R C -0.494 175.459 176.300 -0.579 0.000 1.038 649 R CA -0.570 55.261 56.100 -0.448 0.000 0.906 649 R CB 0.334 30.555 30.300 -0.133 0.000 1.259 649 R HN 0.372 nan 8.270 nan 0.000 0.457 650 V N 1.167 120.779 119.914 -0.505 0.000 2.287 650 V HA -0.294 3.821 4.120 -0.007 0.000 0.248 650 V C 2.612 178.563 176.094 -0.238 0.000 1.053 650 V CA 2.884 64.947 62.300 -0.394 0.000 1.027 650 V CB -0.829 30.722 31.823 -0.454 0.000 0.646 650 V HN 0.925 nan 8.190 nan 0.000 0.447 651 S N 0.096 115.673 115.700 -0.205 0.000 2.382 651 S HA -0.195 4.270 4.470 -0.007 0.000 0.228 651 S C 1.942 176.467 174.600 -0.125 0.000 1.027 651 S CA 1.714 59.822 58.200 -0.153 0.000 0.991 651 S CB -0.576 62.564 63.200 -0.099 0.000 0.823 651 S HN 0.388 nan 8.310 nan 0.000 0.469 652 L N 2.085 123.245 121.223 -0.106 0.000 2.109 652 L HA 0.286 4.621 4.340 -0.007 0.000 0.207 652 L C 2.713 179.589 176.870 0.010 0.000 1.086 652 L CA 1.443 56.266 54.840 -0.027 0.000 0.760 652 L CB -1.352 40.760 42.059 0.089 0.000 0.910 652 L HN 0.355 nan 8.230 nan 0.000 0.437 653 A N -0.673 122.134 122.820 -0.022 0.000 1.908 653 A HA -0.257 4.059 4.320 -0.007 0.000 0.218 653 A C 2.137 179.790 177.584 0.114 0.000 1.181 653 A CA 1.932 54.045 52.037 0.127 0.000 0.627 653 A CB -0.661 18.412 19.000 0.121 0.000 0.818 653 A HN 0.607 nan 8.150 nan 0.000 0.445 654 E N -0.507 119.731 120.200 0.062 0.000 2.265 654 E HA -0.173 4.173 4.350 -0.007 0.000 0.196 654 E C 1.897 178.460 176.600 -0.061 0.000 0.996 654 E CA 1.222 57.605 56.400 -0.029 0.000 0.832 654 E CB -0.061 29.519 29.700 -0.200 0.000 0.756 654 E HN 0.637 nan 8.360 nan 0.000 0.491 655 K N 0.001 120.352 120.400 -0.082 0.000 2.141 655 K HA 0.025 4.340 4.320 -0.007 0.000 0.202 655 K C 2.150 178.626 176.600 -0.207 0.000 1.045 655 K CA 0.428 56.670 56.287 -0.075 0.000 0.971 655 K CB 0.031 32.477 32.500 -0.089 0.000 0.795 655 K HN -0.051 nan 8.250 nan 0.000 0.459 656 V N 1.829 121.512 119.914 -0.386 0.000 2.488 656 V HA -0.113 4.002 4.120 -0.007 0.000 0.246 656 V C 1.883 177.731 176.094 -0.410 0.000 1.046 656 V CA 1.174 62.991 62.300 -0.805 0.000 1.053 656 V CB -0.143 31.250 31.823 -0.717 0.000 0.679 656 V HN 0.234 nan 8.190 nan 0.000 0.458 657 I N 0.775 121.159 120.570 -0.311 0.000 2.179 657 I HA -0.128 4.038 4.170 -0.007 0.000 0.242 657 I C -0.248 175.751 176.117 -0.198 0.000 1.088 657 I CA 1.640 62.682 61.300 -0.430 0.000 1.357 657 I CB -1.543 36.063 38.000 -0.658 0.000 1.051 657 I HN 0.365 nan 8.210 nan 0.000 0.409 658 P HA -0.122 nan 4.420 nan 0.000 0.222 658 P C 0.989 178.289 177.300 0.001 0.000 1.147 658 P CA 1.265 64.345 63.100 -0.033 0.000 0.790 658 P CB 0.018 31.708 31.700 -0.016 0.000 0.780 659 A N -1.092 121.717 122.820 -0.018 0.000 2.238 659 A HA 0.448 4.764 4.320 -0.007 0.000 0.210 659 A C 1.196 178.881 177.584 0.169 0.000 1.179 659 A CA 0.139 52.222 52.037 0.077 0.000 0.827 659 A CB -0.706 18.369 19.000 0.126 0.000 0.856 659 A HN 0.200 nan 8.150 nan 0.000 0.488 660 A N 0.058 122.970 122.820 0.154 0.000 2.401 660 A HA 0.451 4.767 4.320 -0.007 0.000 0.259 660 A C 0.383 178.116 177.584 0.249 0.000 1.103 660 A CA -0.156 52.039 52.037 0.263 0.000 0.789 660 A CB 0.307 19.573 19.000 0.444 0.000 1.035 660 A HN 0.287 nan 8.150 nan 0.000 0.491 661 D N 0.482 121.025 120.400 0.240 0.000 2.338 661 D HA 0.093 4.729 4.640 -0.007 0.000 0.224 661 D C -0.142 176.383 176.300 0.376 0.000 0.967 661 D CA 0.928 55.115 54.000 0.313 0.000 0.896 661 D CB 0.197 41.075 40.800 0.129 0.000 1.028 661 D HN 0.365 nan 8.370 nan 0.000 0.493 662 L N 0.496 121.819 121.223 0.166 0.000 2.356 662 L HA 0.345 4.681 4.340 -0.007 0.000 0.277 662 L C -0.740 176.025 176.870 -0.176 0.000 0.996 662 L CA -0.518 54.349 54.840 0.045 0.000 0.822 662 L CB 2.131 44.182 42.059 -0.013 0.000 1.256 662 L HN -0.288 nan 8.230 nan 0.000 0.413 663 S N 4.108 119.618 115.700 -0.315 0.000 2.422 663 S HA 0.432 4.898 4.470 -0.007 0.000 0.308 663 S C -0.562 173.766 174.600 -0.453 0.000 1.097 663 S CA -0.647 57.094 58.200 -0.763 0.000 1.099 663 S CB 0.304 63.008 63.200 -0.827 0.000 0.976 663 S HN 0.615 nan 8.310 nan 0.000 0.471 664 E N 4.072 124.008 120.200 -0.440 0.000 2.105 664 E HA 0.200 4.546 4.350 -0.007 0.000 0.285 664 E C -0.473 176.016 176.600 -0.185 0.000 1.055 664 E CA -0.306 55.971 56.400 -0.205 0.000 0.843 664 E CB 0.944 30.552 29.700 -0.152 0.000 1.067 664 E HN 0.611 nan 8.360 nan 0.000 0.398 665 Q N 2.806 122.560 119.800 -0.075 0.000 3.122 665 Q HA 0.259 4.594 4.340 -0.007 0.000 0.282 665 Q C 0.605 176.593 176.000 -0.020 0.000 0.947 665 Q CA -0.119 55.648 55.803 -0.060 0.000 0.812 665 Q CB 0.191 28.904 28.738 -0.043 0.000 1.333 665 Q HN 0.602 nan 8.270 nan 0.000 0.430 666 I N -1.887 118.657 120.570 -0.044 0.000 3.762 666 I HA 0.260 4.425 4.170 -0.007 0.000 0.333 666 I C 0.470 176.535 176.117 -0.086 0.000 1.566 666 I CA -0.680 60.606 61.300 -0.023 0.000 1.129 666 I CB 0.487 38.464 38.000 -0.038 0.000 1.218 666 I HN -0.005 nan 8.210 nan 0.000 0.456 667 S N 0.473 116.123 115.700 -0.084 0.000 2.563 667 S HA 0.131 4.596 4.470 -0.007 0.000 0.284 667 S C 0.586 175.170 174.600 -0.026 0.000 1.331 667 S CA -0.251 57.925 58.200 -0.041 0.000 1.047 667 S CB 0.119 63.349 63.200 0.048 0.000 0.859 667 S HN 0.388 nan 8.310 nan 0.000 0.514 668 T N 2.967 117.544 114.554 0.038 0.000 2.908 668 T HA 0.357 4.702 4.350 -0.007 0.000 0.301 668 T C 0.786 175.498 174.700 0.020 0.000 1.019 668 T CA 0.302 62.428 62.100 0.043 0.000 1.152 668 T CB -0.050 68.916 68.868 0.163 0.000 0.966 668 T HN 1.030 nan 8.240 nan 0.000 0.540 669 A N 2.797 125.593 122.820 -0.040 0.000 2.566 669 A HA 0.449 4.764 4.320 -0.007 0.000 0.245 669 A C 1.644 179.220 177.584 -0.014 0.000 1.056 669 A CA 0.292 52.301 52.037 -0.046 0.000 0.757 669 A CB -0.903 18.055 19.000 -0.070 0.000 0.979 669 A HN 1.717 nan 8.150 nan 0.000 0.508 670 G N 1.438 110.229 108.800 -0.014 0.000 2.176 670 G HA2 -0.240 3.716 3.960 -0.007 0.000 0.232 670 G HA3 -0.240 3.716 3.960 -0.007 0.000 0.232 670 G C 0.866 175.757 174.900 -0.014 0.000 0.986 670 G CA 1.105 46.199 45.100 -0.010 0.000 0.643 670 G HN 1.981 nan 8.290 nan 0.000 0.522 671 T N -2.504 112.043 114.554 -0.011 0.000 3.018 671 T HA 0.416 4.762 4.350 -0.007 0.000 0.246 671 T C 0.725 175.268 174.700 -0.261 0.000 1.026 671 T CA 1.066 63.102 62.100 -0.106 0.000 1.081 671 T CB 0.593 69.478 68.868 0.029 0.000 0.970 671 T HN 0.288 nan 8.240 nan 0.000 0.475 672 E N 1.335 121.519 120.200 -0.028 0.000 2.089 672 E HA 0.674 5.020 4.350 -0.007 0.000 0.284 672 E C 1.106 177.656 176.600 -0.084 0.000 1.023 672 E CA 0.038 56.456 56.400 0.030 0.000 0.819 672 E CB 0.949 30.728 29.700 0.131 0.000 1.076 672 E HN 0.321 nan 8.360 nan 0.000 0.396 673 A N 3.415 126.116 122.820 -0.199 0.000 1.892 673 A HA -0.190 4.125 4.320 -0.007 0.000 0.218 673 A C 1.964 179.422 177.584 -0.209 0.000 1.188 673 A CA 2.208 54.003 52.037 -0.403 0.000 0.631 673 A CB -0.239 18.303 19.000 -0.763 0.000 0.822 673 A HN 0.603 nan 8.150 nan 0.000 0.447 674 S N -3.805 111.832 115.700 -0.105 0.000 3.770 674 S HA 0.447 4.912 4.470 -0.007 0.000 0.238 674 S C 0.743 175.332 174.600 -0.019 0.000 1.143 674 S CA 1.448 59.631 58.200 -0.028 0.000 0.869 674 S CB -0.179 63.029 63.200 0.013 0.000 1.057 674 S HN 2.255 nan 8.310 nan 0.000 0.507 675 G N 0.380 109.174 108.800 -0.010 0.000 2.722 675 G HA2 -0.072 3.884 3.960 -0.007 0.000 0.686 675 G HA3 -0.072 3.884 3.960 -0.007 0.000 0.686 675 G C 0.259 175.144 174.900 -0.026 0.000 1.282 675 G CA 0.449 45.541 45.100 -0.014 0.000 0.817 675 G HN 1.327 nan 8.290 nan 0.000 0.605 676 T N -1.873 112.653 114.554 -0.046 0.000 3.051 676 T HA 0.381 4.727 4.350 -0.007 0.000 0.254 676 T C 2.396 177.001 174.700 -0.158 0.000 0.916 676 T CA 1.255 63.299 62.100 -0.092 0.000 0.894 676 T CB 0.203 69.010 68.868 -0.101 0.000 1.251 676 T HN 1.900 nan 8.240 nan 0.000 0.517 677 G N 3.503 112.239 108.800 -0.107 0.000 2.440 677 G HA2 -0.308 3.647 3.960 -0.007 0.000 0.218 677 G HA3 -0.308 3.647 3.960 -0.007 0.000 0.218 677 G C 1.560 176.520 174.900 0.099 0.000 1.154 677 G CA 1.465 46.528 45.100 -0.062 0.000 0.767 677 G HN 0.687 nan 8.290 nan 0.000 0.552 678 N N 0.890 119.631 118.700 0.069 0.000 2.060 678 N HA -0.180 4.556 4.740 -0.007 0.000 0.195 678 N C 1.448 176.971 175.510 0.021 0.000 1.028 678 N CA 1.221 54.308 53.050 0.062 0.000 0.861 678 N CB -0.710 37.759 38.487 -0.029 0.000 1.029 678 N HN 0.413 nan 8.380 nan 0.000 0.428 682 M N 0.295 119.978 119.600 0.138 0.000 2.117 682 M HA -0.143 4.332 4.480 -0.007 0.000 0.262 682 M C 1.999 178.347 176.300 0.079 0.000 1.065 682 M CA 1.786 57.132 55.300 0.076 0.000 1.114 682 M CB -0.066 32.583 32.600 0.081 0.000 1.361 682 M HN 0.317 nan 8.290 nan 0.000 0.408 683 L N 0.875 122.146 121.223 0.080 0.000 2.201 683 L HA -0.106 4.230 4.340 -0.007 0.000 0.212 683 L C 1.355 178.267 176.870 0.070 0.000 1.105 683 L CA 1.691 56.585 54.840 0.091 0.000 0.775 683 L CB -0.670 41.453 42.059 0.107 0.000 0.913 683 L HN 0.360 nan 8.230 nan 0.000 0.440 684 N N -0.333 118.399 118.700 0.053 0.000 2.235 684 N HA 0.165 4.901 4.740 -0.007 0.000 0.209 684 N C 0.832 176.372 175.510 0.051 0.000 1.122 684 N CA 0.780 53.854 53.050 0.040 0.000 0.845 684 N CB 0.534 39.023 38.487 0.003 0.000 1.004 684 N HN 0.415 nan 8.380 nan 0.000 0.499 685 G N 0.577 109.410 108.800 0.056 0.000 2.142 685 G HA2 -0.205 3.750 3.960 -0.007 0.000 0.225 685 G HA3 -0.205 3.750 3.960 -0.007 0.000 0.225 685 G C -0.001 174.961 174.900 0.103 0.000 1.015 685 G CA 0.151 45.283 45.100 0.054 0.000 0.716 685 G HN 0.512 nan 8.290 nan 0.000 0.508 686 A N -0.307 122.586 122.820 0.120 0.000 2.312 686 A HA 0.879 5.195 4.320 -0.007 0.000 0.328 686 A C 0.381 177.962 177.584 -0.006 0.000 1.158 686 A CA -0.615 51.518 52.037 0.159 0.000 0.821 686 A CB 0.996 20.164 19.000 0.280 0.000 1.170 686 A HN 0.721 nan 8.150 nan 0.000 0.490 687 L N 0.882 122.070 121.223 -0.058 0.000 2.379 687 L HA 0.451 4.786 4.340 -0.007 0.000 0.269 687 L C 0.143 176.912 176.870 -0.168 0.000 1.084 687 L CA -0.366 54.325 54.840 -0.248 0.000 0.802 687 L CB 1.611 43.417 42.059 -0.420 0.000 1.175 687 L HN 0.679 nan 8.230 nan 0.000 0.448 688 T N 3.001 117.381 114.554 -0.291 0.000 2.779 688 T HA 0.438 4.784 4.350 -0.007 0.000 0.280 688 T C -0.344 174.408 174.700 0.086 0.000 0.987 688 T CA -0.241 61.758 62.100 -0.170 0.000 0.966 688 T CB 1.368 70.102 68.868 -0.223 0.000 0.933 688 T HN 0.346 nan 8.240 nan 0.000 0.442 689 I N 3.251 123.879 120.570 0.096 0.000 2.321 689 I HA 0.693 4.858 4.170 -0.007 0.000 0.291 689 I C 0.187 176.496 176.117 0.321 0.000 0.998 689 I CA 0.167 61.613 61.300 0.244 0.000 1.227 689 I CB 0.207 38.256 38.000 0.082 0.000 1.368 689 I HN 0.770 nan 8.210 nan 0.000 0.466 690 G N 4.012 113.068 108.800 0.428 0.000 2.623 690 G HA2 0.457 4.413 3.960 -0.007 0.000 0.290 690 G HA3 0.457 4.413 3.960 -0.007 0.000 0.290 690 G C -0.909 173.911 174.900 -0.133 0.000 1.437 690 G CA -0.439 44.791 45.100 0.217 0.000 0.798 690 G HN 0.571 nan 8.290 nan 0.000 0.488 691 T N -1.295 113.042 114.554 -0.362 0.000 2.847 691 T HA 0.500 4.846 4.350 -0.007 0.000 0.279 691 T C 0.765 175.333 174.700 -0.220 0.000 0.984 691 T CA -0.705 61.109 62.100 -0.476 0.000 0.988 691 T CB 1.095 69.695 68.868 -0.447 0.000 1.040 691 T HN 0.257 nan 8.240 nan 0.000 0.528 692 M N 2.806 122.291 119.600 -0.192 0.000 3.442 692 M HA 0.320 4.795 4.480 -0.007 0.000 0.232 692 M C -0.456 175.784 176.300 -0.100 0.000 1.508 692 M CA 0.001 55.227 55.300 -0.124 0.000 1.647 692 M CB -1.867 30.672 32.600 -0.102 0.000 1.126 692 M HN 0.723 nan 8.290 nan 0.000 0.557 693 D N -0.076 120.270 120.400 -0.091 0.000 2.732 693 D HA 0.663 5.298 4.640 -0.007 0.000 0.229 693 D C 0.681 176.953 176.300 -0.046 0.000 1.152 693 D CA 0.742 54.705 54.000 -0.061 0.000 0.854 693 D CB 1.709 42.475 40.800 -0.056 0.000 1.590 693 D HN 0.595 nan 8.370 nan 0.000 0.468 694 G N 1.897 110.680 108.800 -0.027 0.000 2.614 694 G HA2 -0.253 3.703 3.960 -0.007 0.000 0.303 694 G HA3 -0.253 3.703 3.960 -0.007 0.000 0.303 694 G C 1.040 175.931 174.900 -0.016 0.000 1.270 694 G CA 1.090 46.179 45.100 -0.018 0.000 0.988 694 G HN 1.086 nan 8.290 nan 0.000 0.551 695 A N -0.261 122.547 122.820 -0.021 0.000 2.167 695 A HA 0.118 4.434 4.320 -0.007 0.000 0.214 695 A C 2.094 179.610 177.584 -0.113 0.000 1.151 695 A CA 1.780 53.803 52.037 -0.023 0.000 0.735 695 A CB -0.450 18.540 19.000 -0.017 0.000 0.802 695 A HN 0.630 nan 8.150 nan 0.000 0.467 696 N N 0.606 119.239 118.700 -0.112 0.000 2.137 696 N HA -0.163 4.572 4.740 -0.007 0.000 0.190 696 N C 1.579 176.963 175.510 -0.210 0.000 1.017 696 N CA 1.659 54.624 53.050 -0.142 0.000 0.859 696 N CB -0.648 37.791 38.487 -0.079 0.000 1.002 696 N HN 0.299 nan 8.380 nan 0.000 0.428 697 V N 1.175 121.008 119.914 -0.134 0.000 2.295 697 V HA -0.208 3.908 4.120 -0.007 0.000 0.246 697 V C 1.972 177.994 176.094 -0.121 0.000 1.049 697 V CA 1.699 63.923 62.300 -0.127 0.000 1.024 697 V CB -0.504 31.276 31.823 -0.071 0.000 0.648 697 V HN 0.346 nan 8.190 nan 0.000 0.447 698 E N -0.611 119.571 120.200 -0.030 0.000 2.152 698 E HA -0.118 4.228 4.350 -0.007 0.000 0.192 698 E C 2.211 178.921 176.600 0.182 0.000 0.983 698 E CA 0.973 57.430 56.400 0.095 0.000 0.818 698 E CB -0.174 29.663 29.700 0.230 0.000 0.758 698 E HN 0.540 nan 8.360 nan 0.000 0.467 699 M N 0.441 120.019 119.600 -0.037 0.000 2.086 699 M HA -0.145 4.331 4.480 -0.007 0.000 0.261 699 M C 2.484 178.432 176.300 -0.588 0.000 1.067 699 M CA 1.539 56.696 55.300 -0.238 0.000 1.116 699 M CB -0.180 32.138 32.600 -0.471 0.000 1.348 699 M HN 0.144 nan 8.290 nan 0.000 0.407 700 A N -0.182 122.047 122.820 -0.984 0.000 1.933 700 A HA -0.211 4.105 4.320 -0.007 0.000 0.218 700 A C 1.999 179.367 177.584 -0.361 0.000 1.175 700 A CA 1.891 53.326 52.037 -1.004 0.000 0.628 700 A CB -0.792 17.773 19.000 -0.724 0.000 0.814 700 A HN 0.574 nan 8.150 nan 0.000 0.444 701 E N -0.364 119.711 120.200 -0.209 0.000 2.051 701 E HA -0.227 4.119 4.350 -0.007 0.000 0.192 701 E C 1.823 178.399 176.600 -0.040 0.000 0.991 701 E CA 1.302 57.648 56.400 -0.090 0.000 0.799 701 E CB -0.096 29.572 29.700 -0.054 0.000 0.748 701 E HN 0.538 nan 8.360 nan 0.000 0.449 702 E N 0.042 120.247 120.200 0.008 0.000 2.077 702 E HA -0.164 4.181 4.350 -0.007 0.000 0.193 702 E C 1.819 178.459 176.600 0.068 0.000 0.989 702 E CA 1.212 57.646 56.400 0.056 0.000 0.800 702 E CB -0.203 29.591 29.700 0.157 0.000 0.746 702 E HN 0.365 nan 8.360 nan 0.000 0.452 703 A N 0.202 123.075 122.820 0.089 0.000 2.081 703 A HA 0.340 4.655 4.320 -0.007 0.000 0.214 703 A C 1.056 178.692 177.584 0.087 0.000 1.158 703 A CA 1.062 53.188 52.037 0.147 0.000 0.724 703 A CB 0.008 19.225 19.000 0.362 0.000 0.826 703 A HN 0.252 nan 8.150 nan 0.000 0.463 704 G N -0.460 108.357 108.800 0.028 0.000 3.190 704 G HA2 -0.115 3.841 3.960 -0.007 0.000 0.686 704 G HA3 -0.115 3.841 3.960 -0.007 0.000 0.686 704 G C -0.019 174.892 174.900 0.019 0.000 1.033 704 G CA 0.033 45.137 45.100 0.008 0.000 0.797 704 G HN 0.285 nan 8.290 nan 0.000 0.567 705 E N 0.608 120.794 120.200 -0.023 0.000 2.209 705 E HA -0.186 4.160 4.350 -0.007 0.000 0.196 705 E C 2.357 178.959 176.600 0.004 0.000 0.993 705 E CA 1.261 57.653 56.400 -0.015 0.000 0.819 705 E CB 0.081 29.759 29.700 -0.036 0.000 0.745 705 E HN 0.791 nan 8.360 nan 0.000 0.477 706 E N 0.861 121.050 120.200 -0.019 0.000 2.333 706 E HA -0.192 4.154 4.350 -0.007 0.000 0.198 706 E C 0.841 177.372 176.600 -0.115 0.000 1.007 706 E CA 0.886 57.248 56.400 -0.062 0.000 0.845 706 E CB -0.111 29.561 29.700 -0.047 0.000 0.766 706 E HN 0.221 nan 8.360 nan 0.000 0.507 707 N N -0.399 118.277 118.700 -0.038 0.000 2.203 707 N HA 0.154 4.889 4.740 -0.007 0.000 0.207 707 N C -0.948 174.473 175.510 -0.148 0.000 1.130 707 N CA 0.046 53.037 53.050 -0.098 0.000 0.861 707 N CB 0.309 38.794 38.487 -0.003 0.000 1.005 707 N HN 0.024 nan 8.380 nan 0.000 0.507 708 F N -0.345 119.436 119.950 -0.282 0.000 2.546 708 F HA 0.408 4.930 4.527 -0.008 0.000 0.320 708 F C -0.175 175.445 175.800 -0.300 0.000 1.076 708 F CA -1.050 56.821 58.000 -0.215 0.000 0.928 708 F CB 1.119 40.067 39.000 -0.087 0.000 1.189 708 F HN -0.202 nan 8.300 nan 0.000 0.465 709 F N 4.638 124.647 119.950 0.098 0.000 2.541 709 F HA 0.300 4.822 4.527 -0.007 0.000 0.351 709 F C -0.072 175.869 175.800 0.235 0.000 1.209 709 F CA -0.364 57.707 58.000 0.117 0.000 1.277 709 F CB -0.346 38.681 39.000 0.046 0.000 1.632 709 F HN 0.014 nan 8.300 nan 0.000 0.619 710 I N 3.831 124.581 120.570 0.299 0.000 2.365 710 I HA 0.279 4.444 4.170 -0.007 0.000 0.291 710 I C -0.057 176.226 176.117 0.277 0.000 1.004 710 I CA -0.614 60.825 61.300 0.231 0.000 1.311 710 I CB 0.299 38.356 38.000 0.094 0.000 1.401 710 I HN 0.291 nan 8.210 nan 0.000 0.491 711 F N 3.068 123.076 119.950 0.095 0.000 2.664 711 F HA 0.900 5.422 4.527 -0.008 0.000 0.317 711 F C 0.101 175.937 175.800 0.060 0.000 1.108 711 F CA -0.589 57.461 58.000 0.085 0.000 0.957 711 F CB 1.291 40.361 39.000 0.116 0.000 1.365 711 F HN 0.788 nan 8.300 nan 0.000 0.475 712 G N 1.033 109.900 108.800 0.112 0.000 2.757 712 G HA2 -0.095 3.861 3.960 -0.007 0.000 0.638 712 G HA3 -0.095 3.861 3.960 -0.007 0.000 0.638 712 G C -0.816 174.054 174.900 -0.051 0.000 1.344 712 G CA -0.623 44.481 45.100 0.007 0.000 0.855 712 G HN 0.970 nan 8.290 nan 0.000 0.537 713 M N 0.278 119.862 119.600 -0.027 0.000 2.250 713 M HA 0.246 4.721 4.480 -0.007 0.000 0.337 713 M C 1.142 177.403 176.300 -0.064 0.000 1.161 713 M CA 0.326 55.614 55.300 -0.020 0.000 1.088 713 M CB 0.297 32.893 32.600 -0.007 0.000 1.639 713 M HN 0.562 nan 8.290 nan 0.000 0.447 714 R N 1.252 121.728 120.500 -0.040 0.000 2.541 714 R HA 0.254 4.589 4.340 -0.007 0.000 0.263 714 R C 1.100 177.379 176.300 -0.036 0.000 1.112 714 R CA -0.484 55.587 56.100 -0.048 0.000 1.170 714 R CB 0.224 30.503 30.300 -0.035 0.000 1.167 714 R HN 0.574 nan 8.270 nan 0.000 0.582 715 V N 1.646 121.538 119.914 -0.037 0.000 2.324 715 V HA -0.302 3.813 4.120 -0.007 0.000 0.250 715 V C 2.078 178.160 176.094 -0.020 0.000 1.060 715 V CA 2.387 64.669 62.300 -0.029 0.000 1.042 715 V CB -0.769 31.035 31.823 -0.031 0.000 0.650 715 V HN 0.853 nan 8.190 nan 0.000 0.450 716 E N 0.167 120.357 120.200 -0.017 0.000 2.118 716 E HA -0.286 4.060 4.350 -0.007 0.000 0.195 716 E C 1.566 178.168 176.600 0.004 0.000 0.992 716 E CA 1.832 58.227 56.400 -0.007 0.000 0.804 716 E CB -0.486 29.210 29.700 -0.006 0.000 0.741 716 E HN 0.628 nan 8.360 nan 0.000 0.458 717 D N 1.130 121.535 120.400 0.007 0.000 2.149 717 D HA -0.075 4.560 4.640 -0.007 0.000 0.201 717 D C 2.315 178.631 176.300 0.027 0.000 0.972 717 D CA 1.060 55.076 54.000 0.026 0.000 0.835 717 D CB -0.000 40.819 40.800 0.032 0.000 0.966 717 D HN 0.132 nan 8.370 nan 0.000 0.476 718 V N 2.049 121.965 119.914 0.003 0.000 2.295 718 V HA -0.224 3.892 4.120 -0.007 0.000 0.246 718 V C 1.953 178.045 176.094 -0.003 0.000 1.049 718 V CA 1.762 64.055 62.300 -0.012 0.000 1.024 718 V CB -0.447 31.358 31.823 -0.031 0.000 0.648 718 V HN 0.025 nan 8.190 nan 0.000 0.447 719 D N -0.156 120.242 120.400 -0.002 0.000 2.117 719 D HA -0.143 4.492 4.640 -0.007 0.000 0.197 719 D C 2.413 178.723 176.300 0.017 0.000 0.987 719 D CA 1.184 55.184 54.000 0.001 0.000 0.829 719 D CB -0.280 40.517 40.800 -0.006 0.000 0.961 719 D HN 0.373 nan 8.370 nan 0.000 0.460 720 R N 0.033 120.549 120.500 0.026 0.000 2.081 720 R HA -0.012 4.323 4.340 -0.007 0.000 0.235 720 R C 2.509 178.846 176.300 0.061 0.000 1.131 720 R CA 0.491 56.615 56.100 0.040 0.000 0.960 720 R CB -0.317 30.009 30.300 0.043 0.000 0.856 720 R HN 0.206 nan 8.270 nan 0.000 0.436 721 L N 0.660 121.931 121.223 0.079 0.000 2.046 721 L HA -0.215 4.120 4.340 -0.007 0.000 0.208 721 L C 1.637 178.573 176.870 0.110 0.000 1.077 721 L CA 1.261 56.177 54.840 0.127 0.000 0.747 721 L CB -0.321 41.836 42.059 0.163 0.000 0.896 721 L HN 0.211 nan 8.230 nan 0.000 0.432 722 D N -0.511 119.926 120.400 0.062 0.000 2.144 722 D HA -0.209 4.426 4.640 -0.007 0.000 0.199 722 D C 2.222 178.549 176.300 0.044 0.000 0.984 722 D CA 1.092 55.118 54.000 0.044 0.000 0.834 722 D CB -0.071 40.735 40.800 0.009 0.000 0.955 722 D HN 0.414 nan 8.370 nan 0.000 0.465 723 Q N -0.044 119.780 119.800 0.039 0.000 2.061 723 Q HA -0.164 4.172 4.340 -0.007 0.000 0.204 723 Q C 2.162 178.186 176.000 0.039 0.000 0.984 723 Q CA 1.548 57.370 55.803 0.032 0.000 0.846 723 Q CB -0.048 28.706 28.738 0.027 0.000 0.902 723 Q HN 0.339 nan 8.270 nan 0.000 0.421 724 R N -0.703 119.828 120.500 0.052 0.000 2.254 724 R HA 0.247 4.582 4.340 -0.007 0.000 0.195 724 R C 0.094 176.429 176.300 0.059 0.000 0.957 724 R CA 0.653 56.784 56.100 0.051 0.000 1.024 724 R CB 0.472 30.803 30.300 0.052 0.000 0.952 724 R HN 0.082 nan 8.270 nan 0.000 0.484 725 G N 0.828 109.677 108.800 0.081 0.000 3.225 725 G HA2 -0.245 3.711 3.960 -0.007 0.000 0.686 725 G HA3 -0.245 3.711 3.960 -0.007 0.000 0.686 725 G C -1.480 173.509 174.900 0.148 0.000 1.105 725 G CA -0.419 44.738 45.100 0.094 0.000 0.831 725 G HN 0.299 nan 8.290 nan 0.000 0.578 726 Y N 3.126 123.454 120.300 0.046 0.000 2.436 726 Y HA 0.580 5.125 4.550 -0.007 0.000 0.343 726 Y C 0.288 176.236 175.900 0.080 0.000 1.008 726 Y CA -1.109 57.038 58.100 0.077 0.000 1.241 726 Y CB 1.111 39.596 38.460 0.040 0.000 1.153 726 Y HN 0.620 nan 8.280 nan 0.000 0.521 727 N N 4.886 123.364 118.700 -0.371 0.000 2.626 727 N HA 0.338 5.074 4.740 -0.007 0.000 0.242 727 N C 0.311 175.568 175.510 -0.421 0.000 1.005 727 N CA 0.252 53.093 53.050 -0.348 0.000 0.905 727 N CB 1.120 39.529 38.487 -0.130 0.000 1.128 727 N HN 0.768 nan 8.380 nan 0.000 0.512 728 A N 2.727 125.181 122.820 -0.609 0.000 2.019 728 A HA -0.196 4.120 4.320 -0.007 0.000 0.219 728 A C 1.876 179.592 177.584 0.219 0.000 1.164 728 A CA 1.435 53.359 52.037 -0.189 0.000 0.644 728 A CB -0.419 18.368 19.000 -0.355 0.000 0.805 728 A HN 0.701 nan 8.150 nan 0.000 0.449 729 Q N 0.239 120.050 119.800 0.018 0.000 2.135 729 Q HA -0.224 4.112 4.340 -0.007 0.000 0.204 729 Q C 1.899 177.974 176.000 0.126 0.000 0.981 729 Q CA 2.231 58.071 55.803 0.062 0.000 0.856 729 Q CB -0.343 28.381 28.738 -0.023 0.000 0.902 729 Q HN 0.790 nan 8.270 nan 0.000 0.425 730 E N -1.405 118.810 120.200 0.024 0.000 2.085 730 E HA -0.237 4.108 4.350 -0.007 0.000 0.194 730 E C 1.513 178.050 176.600 -0.105 0.000 0.994 730 E CA 1.415 57.756 56.400 -0.099 0.000 0.801 730 E CB -0.218 29.318 29.700 -0.273 0.000 0.743 730 E HN 0.583 nan 8.360 nan 0.000 0.453 731 Y N -1.025 119.346 120.300 0.118 0.000 2.220 731 Y HA -0.191 4.354 4.550 -0.008 0.000 0.291 731 Y C 2.243 178.143 175.900 -0.000 0.000 1.129 731 Y CA 1.481 59.641 58.100 0.100 0.000 1.161 731 Y CB -0.741 37.841 38.460 0.203 0.000 0.997 731 Y HN 0.214 nan 8.280 nan 0.000 0.522 732 Y N 1.467 121.801 120.300 0.057 0.000 2.128 732 Y HA -0.295 4.251 4.550 -0.007 0.000 0.284 732 Y C 1.807 177.677 175.900 -0.050 0.000 1.154 732 Y CA 1.979 60.032 58.100 -0.079 0.000 1.149 732 Y CB -0.416 38.059 38.460 0.026 0.000 0.976 732 Y HN 0.086 nan 8.280 nan 0.000 0.505 733 D N -0.440 120.060 120.400 0.166 0.000 2.264 733 D HA -0.078 4.557 4.640 -0.007 0.000 0.208 733 D C 1.878 178.158 176.300 -0.034 0.000 0.966 733 D CA 1.148 55.187 54.000 0.066 0.000 0.864 733 D CB -0.114 40.741 40.800 0.091 0.000 0.933 733 D HN 0.458 nan 8.370 nan 0.000 0.499 734 R N -0.535 119.941 120.500 -0.039 0.000 2.335 734 R HA 0.315 4.651 4.340 -0.007 0.000 0.210 734 R C 0.262 176.541 176.300 -0.034 0.000 0.892 734 R CA 0.076 56.153 56.100 -0.038 0.000 1.048 734 R CB 1.136 31.413 30.300 -0.039 0.000 1.067 734 R HN 0.086 nan 8.270 nan 0.000 0.524 735 I N 1.601 122.131 120.570 -0.067 0.000 2.464 735 I HA 0.236 4.401 4.170 -0.007 0.000 0.277 735 I C -2.020 174.008 176.117 -0.148 0.000 1.040 735 I CA -2.318 58.950 61.300 -0.054 0.000 1.153 735 I CB 2.005 40.012 38.000 0.012 0.000 1.274 735 I HN -0.271 nan 8.210 nan 0.000 0.469 736 P HA -0.188 nan 4.420 nan 0.000 0.216 736 P C 1.194 178.409 177.300 -0.142 0.000 1.153 736 P CA 1.482 64.498 63.100 -0.140 0.000 0.858 736 P CB 0.307 31.958 31.700 -0.082 0.000 0.789 737 E N -1.150 119.008 120.200 -0.070 0.000 2.106 737 E HA -0.155 4.190 4.350 -0.007 0.000 0.192 737 E C 1.877 178.404 176.600 -0.122 0.000 0.984 737 E CA 0.610 56.991 56.400 -0.032 0.000 0.806 737 E CB -0.586 29.167 29.700 0.089 0.000 0.750 737 E HN 0.109 nan 8.360 nan 0.000 0.458 738 L N 1.284 122.339 121.223 -0.281 0.000 2.027 738 L HA -0.142 4.193 4.340 -0.007 0.000 0.206 738 L C 2.362 178.968 176.870 -0.441 0.000 1.074 738 L CA 1.710 56.191 54.840 -0.598 0.000 0.745 738 L CB -0.367 41.172 42.059 -0.867 0.000 0.898 738 L HN -0.103 nan 8.230 nan 0.000 0.433 739 R N -0.801 119.408 120.500 -0.485 0.000 2.096 739 R HA -0.265 4.070 4.340 -0.007 0.000 0.240 739 R C 2.453 178.596 176.300 -0.263 0.000 1.139 739 R CA 2.166 57.903 56.100 -0.606 0.000 0.952 739 R CB -0.418 29.445 30.300 -0.727 0.000 0.854 739 R HN 0.624 nan 8.270 nan 0.000 0.436 740 Q N 0.234 119.918 119.800 -0.193 0.000 2.061 740 Q HA -0.208 4.127 4.340 -0.007 0.000 0.204 740 Q C 2.070 178.037 176.000 -0.054 0.000 0.984 740 Q CA 2.188 57.924 55.803 -0.112 0.000 0.846 740 Q CB -0.125 28.551 28.738 -0.103 0.000 0.902 740 Q HN 0.482 nan 8.270 nan 0.000 0.421 741 I N 0.547 121.091 120.570 -0.043 0.000 2.179 741 I HA -0.288 3.878 4.170 -0.007 0.000 0.242 741 I C 2.140 178.318 176.117 0.102 0.000 1.088 741 I CA 0.625 61.953 61.300 0.048 0.000 1.357 741 I CB -0.291 37.712 38.000 0.005 0.000 1.051 741 I HN 0.289 nan 8.210 nan 0.000 0.409 742 I N 0.561 121.177 120.570 0.076 0.000 2.226 742 I HA -0.221 3.945 4.170 -0.007 0.000 0.245 742 I C 2.538 178.776 176.117 0.202 0.000 1.100 742 I CA 1.521 62.933 61.300 0.187 0.000 1.374 742 I CB -1.352 36.836 38.000 0.313 0.000 1.057 742 I HN 0.282 nan 8.210 nan 0.000 0.413 743 E N 0.608 120.905 120.200 0.162 0.000 2.150 743 E HA -0.187 4.159 4.350 -0.007 0.000 0.193 743 E C 2.165 178.837 176.600 0.120 0.000 0.985 743 E CA 0.802 57.283 56.400 0.135 0.000 0.814 743 E CB -0.248 29.502 29.700 0.084 0.000 0.752 743 E HN 0.583 nan 8.360 nan 0.000 0.466 744 Q N 0.186 120.049 119.800 0.104 0.000 2.084 744 Q HA -0.076 4.260 4.340 -0.007 0.000 0.202 744 Q C 2.425 178.626 176.000 0.333 0.000 0.978 744 Q CA 0.994 56.881 55.803 0.140 0.000 0.844 744 Q CB -0.114 28.676 28.738 0.088 0.000 0.898 744 Q HN 0.249 nan 8.270 nan 0.000 0.426 745 L N -0.180 121.257 121.223 0.358 0.000 2.056 745 L HA -0.171 4.164 4.340 -0.007 0.000 0.207 745 L C 2.405 179.476 176.870 0.335 0.000 1.078 745 L CA 0.954 56.025 54.840 0.385 0.000 0.749 745 L CB -0.287 41.922 42.059 0.250 0.000 0.901 745 L HN 0.121 nan 8.230 nan 0.000 0.433 746 S N -0.465 115.384 115.700 0.249 0.000 2.387 746 S HA -0.121 4.344 4.470 -0.007 0.000 0.226 746 S C 2.093 176.797 174.600 0.173 0.000 1.026 746 S CA 1.339 59.660 58.200 0.201 0.000 0.972 746 S CB -0.147 63.152 63.200 0.165 0.000 0.814 746 S HN 0.584 nan 8.310 nan 0.000 0.477 747 S N 0.521 116.322 115.700 0.169 0.000 2.527 747 S HA 0.320 4.786 4.470 -0.007 0.000 0.222 747 S C 1.448 176.134 174.600 0.144 0.000 0.985 747 S CA 0.661 58.943 58.200 0.135 0.000 0.921 747 S CB -0.087 63.181 63.200 0.114 0.000 0.772 747 S HN 0.797 nan 8.310 nan 0.000 0.529 748 G N 0.632 109.547 108.800 0.192 0.000 2.131 748 G HA2 -0.275 3.681 3.960 -0.007 0.000 0.201 748 G HA3 -0.275 3.681 3.960 -0.007 0.000 0.201 748 G C 0.171 175.161 174.900 0.150 0.000 1.000 748 G CA 0.076 45.278 45.100 0.170 0.000 0.680 748 G HN 0.520 nan 8.290 nan 0.000 0.514 749 F N 0.193 120.140 119.950 -0.005 0.000 2.161 749 F HA 0.172 4.695 4.527 -0.008 0.000 0.300 749 F C 1.852 177.459 175.800 -0.321 0.000 1.089 749 F CA 1.867 59.742 58.000 -0.208 0.000 1.282 749 F CB -0.013 38.777 39.000 -0.349 0.000 1.010 749 F HN 0.166 nan 8.300 nan 0.000 0.485 750 F N -0.105 119.896 119.950 0.087 0.000 2.693 750 F HA 0.191 4.714 4.527 -0.007 0.000 0.303 750 F C 0.673 176.551 175.800 0.130 0.000 1.097 750 F CA 0.208 58.218 58.000 0.017 0.000 1.330 750 F CB -0.101 38.944 39.000 0.074 0.000 1.067 750 F HN -0.011 nan 8.300 nan 0.000 0.565 751 S N -1.388 114.427 115.700 0.193 0.000 2.606 751 S HA 0.235 4.701 4.470 -0.007 0.000 0.156 751 S C -2.213 172.393 174.600 0.010 0.000 1.308 751 S CA -0.850 57.395 58.200 0.075 0.000 1.228 751 S CB 0.582 63.767 63.200 -0.024 0.000 1.568 751 S HN -0.119 nan 8.310 nan 0.000 0.397 752 P HA -0.094 nan 4.420 nan 0.000 0.218 752 P C 0.869 178.158 177.300 -0.018 0.000 1.149 752 P CA 1.138 64.219 63.100 -0.031 0.000 0.817 752 P CB 0.056 31.713 31.700 -0.071 0.000 0.785 753 K N -0.887 119.500 120.400 -0.022 0.000 2.418 753 K HA 0.011 4.327 4.320 -0.007 0.000 0.195 753 K C 1.335 177.928 176.600 -0.012 0.000 1.035 753 K CA 0.442 56.720 56.287 -0.015 0.000 1.003 753 K CB 0.163 32.654 32.500 -0.015 0.000 0.793 753 K HN 0.156 nan 8.250 nan 0.000 0.494 754 Q N 0.043 119.833 119.800 -0.018 0.000 3.605 754 Q HA 0.140 4.475 4.340 -0.007 0.000 0.222 754 Q C -2.448 173.535 176.000 -0.027 0.000 0.915 754 Q CA -1.638 54.151 55.803 -0.025 0.000 0.731 754 Q CB 1.200 29.917 28.738 -0.036 0.000 1.423 754 Q HN -0.128 nan 8.270 nan 0.000 0.446 755 P HA -0.185 nan 4.420 nan 0.000 0.217 755 P C 0.507 177.833 177.300 0.044 0.000 1.148 755 P CA 1.446 64.568 63.100 0.036 0.000 0.828 755 P CB 0.207 31.933 31.700 0.042 0.000 0.783 756 D N -1.313 119.098 120.400 0.019 0.000 2.325 756 D HA -0.022 4.613 4.640 -0.007 0.000 0.225 756 D C 1.604 177.898 176.300 -0.011 0.000 1.096 756 D CA -0.183 53.837 54.000 0.033 0.000 0.844 756 D CB -0.810 40.011 40.800 0.035 0.000 0.925 756 D HN 0.022 nan 8.370 nan 0.000 0.513 757 L N -0.112 121.036 121.223 -0.126 0.000 2.043 757 L HA -0.058 4.277 4.340 -0.007 0.000 0.212 757 L C 1.193 177.854 176.870 -0.347 0.000 1.075 757 L CA 1.680 56.327 54.840 -0.322 0.000 0.752 757 L CB -0.635 41.041 42.059 -0.638 0.000 0.891 757 L HN 0.005 nan 8.230 nan 0.000 0.432 758 F N -0.423 119.585 119.950 0.098 0.000 2.668 758 F HA 0.132 4.655 4.527 -0.007 0.000 0.297 758 F C 1.866 177.726 175.800 0.101 0.000 1.124 758 F CA -0.170 57.881 58.000 0.085 0.000 1.353 758 F CB -0.333 38.707 39.000 0.067 0.000 0.992 758 F HN 0.114 nan 8.300 nan 0.000 0.524 759 K N -0.274 120.249 120.400 0.205 0.000 2.103 759 K HA -0.190 4.126 4.320 -0.007 0.000 0.207 759 K C 0.874 177.585 176.600 0.185 0.000 1.048 759 K CA 1.966 58.359 56.287 0.176 0.000 0.930 759 K CB -0.256 32.319 32.500 0.125 0.000 0.716 759 K HN 0.114 nan 8.250 nan 0.000 0.444 760 D N 1.360 121.880 120.400 0.200 0.000 2.117 760 D HA -0.066 4.570 4.640 -0.007 0.000 0.198 760 D C 2.101 178.520 176.300 0.199 0.000 0.982 760 D CA 1.069 55.195 54.000 0.209 0.000 0.828 760 D CB -0.137 40.832 40.800 0.280 0.000 0.967 760 D HN 0.303 nan 8.370 nan 0.000 0.464 761 I N 0.589 121.280 120.570 0.202 0.000 2.179 761 I HA -0.224 3.941 4.170 -0.007 0.000 0.242 761 I C 2.439 178.637 176.117 0.135 0.000 1.088 761 I CA 0.649 62.039 61.300 0.151 0.000 1.357 761 I CB -0.219 37.857 38.000 0.127 0.000 1.051 761 I HN -0.116 nan 8.210 nan 0.000 0.409 762 V N 1.220 121.232 119.914 0.163 0.000 2.295 762 V HA -0.304 3.811 4.120 -0.007 0.000 0.246 762 V C 2.260 178.421 176.094 0.111 0.000 1.049 762 V CA 2.417 64.803 62.300 0.145 0.000 1.024 762 V CB -0.991 30.933 31.823 0.169 0.000 0.648 762 V HN 0.492 nan 8.190 nan 0.000 0.447 763 N N -0.059 118.740 118.700 0.166 0.000 2.104 763 N HA -0.221 4.515 4.740 -0.007 0.000 0.190 763 N C 1.851 177.508 175.510 0.245 0.000 1.024 763 N CA 1.907 55.103 53.050 0.242 0.000 0.853 763 N CB -0.298 38.346 38.487 0.262 0.000 1.008 763 N HN 0.337 nan 8.380 nan 0.000 0.424 764 M N 0.237 119.963 119.600 0.210 0.000 2.086 764 M HA -0.093 4.382 4.480 -0.007 0.000 0.261 764 M C 1.804 178.129 176.300 0.042 0.000 1.067 764 M CA 1.345 56.765 55.300 0.200 0.000 1.116 764 M CB -0.725 31.981 32.600 0.176 0.000 1.348 764 M HN 0.288 nan 8.290 nan 0.000 0.407 765 L N -0.090 121.100 121.223 -0.055 0.000 2.042 765 L HA -0.274 4.061 4.340 -0.007 0.000 0.210 765 L C 2.606 179.166 176.870 -0.516 0.000 1.076 765 L CA 1.102 55.757 54.840 -0.310 0.000 0.749 765 L CB -0.651 41.246 42.059 -0.270 0.000 0.893 765 L HN 0.318 nan 8.230 nan 0.000 0.432 766 M N -1.469 117.904 119.600 -0.378 0.000 2.254 766 M HA -0.102 4.374 4.480 -0.007 0.000 0.265 766 M C 1.815 177.652 176.300 -0.771 0.000 1.066 766 M CA 1.736 56.679 55.300 -0.595 0.000 1.123 766 M CB -0.798 31.363 32.600 -0.732 0.000 1.388 766 M HN 0.343 nan 8.290 nan 0.000 0.425 767 H N -3.097 115.835 119.070 -0.230 0.000 3.400 767 H HA 0.234 4.786 4.556 -0.007 0.000 0.251 767 H C 0.206 175.150 175.328 -0.639 0.000 1.040 767 H CA 0.391 56.160 56.048 -0.463 0.000 1.175 767 H CB 0.412 29.806 29.762 -0.614 0.000 1.487 767 H HN 0.497 nan 8.280 nan 0.000 0.505 768 H N 0.140 119.269 119.070 0.097 0.000 2.767 768 H HA 0.143 4.695 4.556 -0.008 0.000 0.235 768 H C -0.659 174.702 175.328 0.054 0.000 1.256 768 H CA -0.292 55.805 56.048 0.081 0.000 0.957 768 H CB 0.948 30.762 29.762 0.087 0.000 2.117 768 H HN -0.015 nan 8.280 nan 0.000 0.602 769 D N 1.031 121.498 120.400 0.111 0.000 2.411 769 D HA 0.106 4.741 4.640 -0.007 0.000 0.225 769 D C 0.971 177.235 176.300 -0.061 0.000 1.156 769 D CA -0.232 53.806 54.000 0.063 0.000 0.874 769 D CB 0.583 41.402 40.800 0.031 0.000 1.034 769 D HN 0.289 nan 8.370 nan 0.000 0.502 770 R N 2.262 122.628 120.500 -0.224 0.000 2.285 770 R HA -0.027 4.308 4.340 -0.007 0.000 0.213 770 R C 0.548 176.356 176.300 -0.820 0.000 1.068 770 R CA 0.840 56.585 56.100 -0.593 0.000 1.004 770 R CB 0.149 29.897 30.300 -0.920 0.000 0.873 770 R HN 0.414 nan 8.270 nan 0.000 0.467 771 F N 0.000 119.899 119.950 -0.086 0.000 2.688 771 F HA 0.270 4.792 4.527 -0.007 0.000 0.310 771 F C 0.072 175.746 175.800 -0.211 0.000 1.098 771 F CA -0.646 57.295 58.000 -0.098 0.000 1.228 771 F CB 0.338 39.344 39.000 0.010 0.000 1.042 771 F HN -0.261 nan 8.300 nan 0.000 0.557 772 K N -0.220 119.983 120.400 -0.328 0.000 3.150 772 K HA -0.170 4.146 4.320 -0.007 0.000 0.267 772 K C 0.935 177.413 176.600 -0.205 0.000 1.028 772 K CA 0.198 56.091 56.287 -0.656 0.000 0.753 772 K CB -1.875 30.161 32.500 -0.773 0.000 1.288 772 K HN 0.195 nan 8.250 nan 0.000 0.473 773 V N -0.004 119.883 119.914 -0.045 0.000 2.287 773 V HA -0.293 3.823 4.120 -0.007 0.000 0.248 773 V C 1.948 178.199 176.094 0.262 0.000 1.053 773 V CA 2.353 64.714 62.300 0.101 0.000 1.027 773 V CB -0.496 31.398 31.823 0.117 0.000 0.646 773 V HN 0.498 nan 8.190 nan 0.000 0.447 774 F N 0.229 120.196 119.950 0.028 0.000 2.161 774 F HA -0.208 4.314 4.527 -0.008 0.000 0.300 774 F C 2.515 178.140 175.800 -0.292 0.000 1.089 774 F CA 0.677 58.650 58.000 -0.046 0.000 1.282 774 F CB -0.374 38.617 39.000 -0.016 0.000 1.010 774 F HN 0.201 nan 8.300 nan 0.000 0.485 775 A N -0.528 122.130 122.820 -0.270 0.000 2.019 775 A HA -0.192 4.123 4.320 -0.007 0.000 0.219 775 A C 1.426 179.007 177.584 -0.004 0.000 1.164 775 A CA 1.866 53.645 52.037 -0.431 0.000 0.644 775 A CB -0.438 18.433 19.000 -0.216 0.000 0.805 775 A HN 0.231 nan 8.150 nan 0.000 0.449 776 D N -2.828 117.633 120.400 0.102 0.000 2.369 776 D HA 0.096 4.732 4.640 -0.007 0.000 0.211 776 D C 1.124 177.599 176.300 0.292 0.000 1.077 776 D CA -0.077 54.059 54.000 0.227 0.000 0.842 776 D CB -0.140 40.807 40.800 0.244 0.000 0.947 776 D HN 0.594 nan 8.370 nan 0.000 0.509 777 Y N 2.068 122.461 120.300 0.155 0.000 2.097 777 Y HA -0.224 4.322 4.550 -0.007 0.000 0.282 777 Y C 2.027 178.012 175.900 0.143 0.000 1.152 777 Y CA 1.870 60.067 58.100 0.162 0.000 1.136 777 Y CB 0.263 38.785 38.460 0.103 0.000 0.975 777 Y HN -0.093 nan 8.280 nan 0.000 0.498 778 E N -0.089 120.174 120.200 0.104 0.000 2.051 778 E HA -0.214 4.131 4.350 -0.007 0.000 0.192 778 E C 2.151 178.724 176.600 -0.045 0.000 0.991 778 E CA 1.382 57.770 56.400 -0.020 0.000 0.799 778 E CB -0.171 29.613 29.700 0.140 0.000 0.748 778 E HN 0.623 nan 8.360 nan 0.000 0.449 779 E N 0.079 120.329 120.200 0.084 0.000 2.110 779 E HA -0.202 4.144 4.350 -0.007 0.000 0.193 779 E C 1.959 178.558 176.600 -0.002 0.000 0.988 779 E CA 0.808 57.282 56.400 0.122 0.000 0.804 779 E CB -0.167 29.699 29.700 0.275 0.000 0.745 779 E HN 0.266 nan 8.360 nan 0.000 0.458 780 Y N 1.516 121.636 120.300 -0.301 0.000 2.114 780 Y HA -0.227 4.318 4.550 -0.008 0.000 0.284 780 Y C 2.221 177.719 175.900 -0.670 0.000 1.143 780 Y CA 0.989 58.583 58.100 -0.843 0.000 1.135 780 Y CB -0.537 37.498 38.460 -0.708 0.000 0.980 780 Y HN -0.215 nan 8.280 nan 0.000 0.499 781 V N 0.559 120.109 119.914 -0.606 0.000 2.343 781 V HA -0.320 3.796 4.120 -0.007 0.000 0.247 781 V C 2.258 178.113 176.094 -0.398 0.000 1.051 781 V CA 2.389 64.340 62.300 -0.582 0.000 1.036 781 V CB -0.591 30.929 31.823 -0.506 0.000 0.654 781 V HN 0.315 nan 8.190 nan 0.000 0.451 782 K N -0.973 119.265 120.400 -0.270 0.000 2.097 782 K HA -0.170 4.145 4.320 -0.007 0.000 0.205 782 K C 2.274 178.792 176.600 -0.137 0.000 1.050 782 K CA 1.560 57.759 56.287 -0.147 0.000 0.938 782 K CB -0.569 31.892 32.500 -0.065 0.000 0.718 782 K HN 0.505 nan 8.250 nan 0.000 0.442 783 C N 1.407 120.597 119.300 -0.182 0.000 2.429 783 C HA -0.095 4.361 4.460 -0.007 0.000 0.277 783 C C 2.613 177.454 174.990 -0.249 0.000 1.262 783 C CA 0.839 59.789 59.018 -0.114 0.000 1.733 783 C CB -0.589 27.088 27.740 -0.105 0.000 2.010 783 C HN 0.434 nan 8.230 nan 0.000 0.483 784 Q N 0.395 119.887 119.800 -0.513 0.000 2.167 784 Q HA -0.154 4.181 4.340 -0.007 0.000 0.202 784 Q C 1.993 177.811 176.000 -0.303 0.000 0.970 784 Q CA 1.496 56.955 55.803 -0.575 0.000 0.855 784 Q CB -0.397 27.715 28.738 -1.043 0.000 0.911 784 Q HN 0.754 nan 8.270 nan 0.000 0.438 785 E N 0.331 120.408 120.200 -0.205 0.000 2.085 785 E HA -0.169 4.176 4.350 -0.007 0.000 0.194 785 E C 2.066 178.645 176.600 -0.035 0.000 0.994 785 E CA 0.822 57.165 56.400 -0.095 0.000 0.801 785 E CB -0.027 29.633 29.700 -0.067 0.000 0.743 785 E HN 0.277 nan 8.360 nan 0.000 0.453 786 R N 0.384 120.884 120.500 0.001 0.000 2.115 786 R HA -0.057 4.278 4.340 -0.007 0.000 0.226 786 R C 2.445 178.851 176.300 0.177 0.000 1.100 786 R CA 0.792 56.979 56.100 0.144 0.000 0.980 786 R CB -0.331 30.119 30.300 0.251 0.000 0.875 786 R HN 0.057 nan 8.270 nan 0.000 0.445 787 V N 0.906 120.706 119.914 -0.190 0.000 2.255 787 V HA -0.280 3.836 4.120 -0.007 0.000 0.247 787 V C 2.239 178.335 176.094 0.002 0.000 1.051 787 V CA 2.109 64.137 62.300 -0.453 0.000 1.018 787 V CB -0.458 30.957 31.823 -0.681 0.000 0.641 787 V HN 0.287 nan 8.190 nan 0.000 0.445 788 S N -0.075 115.593 115.700 -0.053 0.000 2.368 788 S HA -0.176 4.289 4.470 -0.007 0.000 0.225 788 S C 2.225 176.894 174.600 0.116 0.000 1.030 788 S CA 1.404 59.602 58.200 -0.004 0.000 0.999 788 S CB -0.555 62.610 63.200 -0.059 0.000 0.844 788 S HN 0.660 nan 8.310 nan 0.000 0.459 789 A N 1.211 124.105 122.820 0.123 0.000 1.908 789 A HA -0.105 4.211 4.320 -0.007 0.000 0.218 789 A C 2.128 179.840 177.584 0.213 0.000 1.181 789 A CA 1.540 53.669 52.037 0.153 0.000 0.627 789 A CB -0.712 18.368 19.000 0.133 0.000 0.818 789 A HN 0.425 nan 8.150 nan 0.000 0.445 790 L N -2.168 119.247 121.223 0.319 0.000 2.109 790 L HA -0.054 4.281 4.340 -0.007 0.000 0.207 790 L C 2.250 179.402 176.870 0.470 0.000 1.086 790 L CA 1.881 56.974 54.840 0.422 0.000 0.760 790 L CB -0.757 41.654 42.059 0.587 0.000 0.910 790 L HN 0.496 nan 8.230 nan 0.000 0.437 791 Y N 0.368 120.821 120.300 0.255 0.000 2.333 791 Y HA -0.239 4.307 4.550 -0.006 0.000 0.290 791 Y C 2.292 178.147 175.900 -0.075 0.000 1.144 791 Y CA 1.647 59.652 58.100 -0.159 0.000 1.228 791 Y CB -0.085 38.060 38.460 -0.525 0.000 0.985 791 Y HN 0.176 nan 8.280 nan 0.000 0.542 792 K N -0.188 120.291 120.400 0.132 0.000 2.360 792 K HA -0.156 4.159 4.320 -0.007 0.000 0.201 792 K C 0.394 177.002 176.600 0.013 0.000 1.046 792 K CA 0.825 57.165 56.287 0.089 0.000 0.945 792 K CB -0.140 32.444 32.500 0.141 0.000 0.750 792 K HN 0.080 nan 8.250 nan 0.000 0.464 793 N N 0.548 119.269 118.700 0.034 0.000 2.816 793 N HA 0.125 4.861 4.740 -0.007 0.000 0.236 793 N C -2.420 173.100 175.510 0.015 0.000 1.076 793 N CA -2.178 50.889 53.050 0.029 0.000 0.902 793 N CB 1.252 39.785 38.487 0.076 0.000 1.149 793 N HN -0.193 nan 8.380 nan 0.000 0.506 794 P HA -0.159 nan 4.420 nan 0.000 0.216 794 P C 1.416 178.723 177.300 0.011 0.000 1.153 794 P CA 1.093 64.124 63.100 -0.116 0.000 0.858 794 P CB 0.417 32.022 31.700 -0.158 0.000 0.789 795 R N 0.166 120.673 120.500 0.012 0.000 2.080 795 R HA -0.174 4.162 4.340 -0.007 0.000 0.236 795 R C 1.980 178.318 176.300 0.062 0.000 1.137 795 R CA 1.587 57.706 56.100 0.031 0.000 0.943 795 R CB -0.455 29.857 30.300 0.019 0.000 0.846 795 R HN 0.063 nan 8.270 nan 0.000 0.431 796 E N -0.054 120.193 120.200 0.077 0.000 2.152 796 E HA -0.212 4.133 4.350 -0.007 0.000 0.192 796 E C 1.584 178.250 176.600 0.111 0.000 0.983 796 E CA 0.621 57.069 56.400 0.079 0.000 0.818 796 E CB -0.461 29.284 29.700 0.075 0.000 0.758 796 E HN 0.522 nan 8.360 nan 0.000 0.467 797 W N 2.181 123.472 121.300 -0.015 0.000 2.333 797 W HA -0.214 4.441 4.660 -0.008 0.000 0.316 797 W C 1.674 178.186 176.519 -0.010 0.000 1.215 797 W CA 2.230 59.575 57.345 -0.000 0.000 1.278 797 W CB -0.489 28.932 29.460 -0.065 0.000 1.154 797 W HN 0.043 nan 8.180 nan 0.000 0.486 798 T N 1.120 115.797 114.554 0.205 0.000 2.788 798 T HA -0.182 4.164 4.350 -0.007 0.000 0.268 798 T C 1.865 176.569 174.700 0.007 0.000 1.044 798 T CA 1.723 63.879 62.100 0.094 0.000 1.139 798 T CB -0.308 68.602 68.868 0.070 0.000 0.867 798 T HN 0.183 nan 8.240 nan 0.000 0.454 799 R N 0.401 120.910 120.500 0.016 0.000 2.075 799 R HA 0.089 4.424 4.340 -0.007 0.000 0.232 799 R C 2.518 178.800 176.300 -0.030 0.000 1.126 799 R CA 1.221 57.330 56.100 0.015 0.000 0.963 799 R CB -0.348 29.967 30.300 0.025 0.000 0.858 799 R HN 0.368 nan 8.270 nan 0.000 0.435 800 M N 0.557 120.098 119.600 -0.099 0.000 2.175 800 M HA -0.138 4.337 4.480 -0.007 0.000 0.264 800 M C 1.923 178.104 176.300 -0.197 0.000 1.063 800 M CA 1.343 56.541 55.300 -0.171 0.000 1.119 800 M CB 0.176 32.614 32.600 -0.270 0.000 1.377 800 M HN -0.022 nan 8.290 nan 0.000 0.415 801 V N 0.928 120.706 119.914 -0.227 0.000 2.295 801 V HA -0.317 3.799 4.120 -0.007 0.000 0.246 801 V C 2.224 178.287 176.094 -0.052 0.000 1.049 801 V CA 2.084 64.284 62.300 -0.167 0.000 1.024 801 V CB -0.620 31.134 31.823 -0.114 0.000 0.648 801 V HN 0.512 nan 8.190 nan 0.000 0.447 802 I N -0.419 120.152 120.570 0.002 0.000 2.194 802 I HA -0.307 3.859 4.170 -0.007 0.000 0.246 802 I C 2.702 178.870 176.117 0.086 0.000 1.093 802 I CA 1.727 63.088 61.300 0.101 0.000 1.355 802 I CB -0.455 37.661 38.000 0.194 0.000 1.046 802 I HN 0.241 nan 8.210 nan 0.000 0.413 803 R N 0.413 120.935 120.500 0.037 0.000 2.152 803 R HA -0.112 4.224 4.340 -0.007 0.000 0.232 803 R C 2.026 178.358 176.300 0.053 0.000 1.117 803 R CA 1.165 57.288 56.100 0.037 0.000 0.981 803 R CB -0.412 29.893 30.300 0.009 0.000 0.870 803 R HN 0.544 nan 8.270 nan 0.000 0.451 804 N N 0.648 119.360 118.700 0.020 0.000 2.148 804 N HA -0.062 4.674 4.740 -0.007 0.000 0.186 804 N C 1.977 177.540 175.510 0.089 0.000 1.031 804 N CA 1.052 54.131 53.050 0.048 0.000 0.848 804 N CB -0.020 38.420 38.487 -0.077 0.000 1.005 804 N HN 0.100 nan 8.380 nan 0.000 0.427 805 I N 1.793 122.401 120.570 0.065 0.000 2.151 805 I HA -0.268 3.898 4.170 -0.007 0.000 0.243 805 I C 2.463 178.636 176.117 0.093 0.000 1.080 805 I CA 1.074 62.423 61.300 0.082 0.000 1.339 805 I CB -0.377 37.667 38.000 0.073 0.000 1.039 805 I HN 0.100 nan 8.210 nan 0.000 0.409 806 A N 0.232 123.108 122.820 0.094 0.000 2.070 806 A HA -0.176 4.139 4.320 -0.007 0.000 0.220 806 A C 2.046 179.677 177.584 0.078 0.000 1.159 806 A CA 2.127 54.211 52.037 0.078 0.000 0.656 806 A CB -0.871 18.175 19.000 0.077 0.000 0.800 806 A HN 0.563 nan 8.150 nan 0.000 0.453 807 T N -3.236 111.384 114.554 0.110 0.000 3.182 807 T HA 0.201 4.546 4.350 -0.007 0.000 0.277 807 T C 1.115 175.937 174.700 0.202 0.000 1.013 807 T CA 0.613 62.788 62.100 0.126 0.000 0.900 807 T CB -0.173 68.774 68.868 0.130 0.000 1.098 807 T HN 0.481 nan 8.240 nan 0.000 0.543 808 S N 0.160 115.989 115.700 0.216 0.000 2.593 808 S HA 0.235 4.700 4.470 -0.007 0.000 0.217 808 S C 2.202 176.964 174.600 0.271 0.000 0.966 808 S CA 0.315 58.719 58.200 0.341 0.000 0.914 808 S CB -0.642 62.711 63.200 0.254 0.000 0.776 808 S HN 0.528 nan 8.310 nan 0.000 0.523 809 G N 2.603 111.474 108.800 0.118 0.000 2.469 809 G HA2 -0.274 3.682 3.960 -0.007 0.000 0.220 809 G HA3 -0.274 3.682 3.960 -0.007 0.000 0.220 809 G C 1.330 176.195 174.900 -0.058 0.000 1.136 809 G CA 0.995 46.124 45.100 0.048 0.000 0.759 809 G HN 0.601 nan 8.290 nan 0.000 0.562 810 K N -0.147 120.102 120.400 -0.251 0.000 2.211 810 K HA -0.064 4.251 4.320 -0.007 0.000 0.204 810 K C 1.294 177.569 176.600 -0.542 0.000 1.047 810 K CA 0.896 56.876 56.287 -0.511 0.000 0.935 810 K CB -0.269 31.724 32.500 -0.845 0.000 0.728 810 K HN 0.417 nan 8.250 nan 0.000 0.452 811 F N 0.798 120.782 119.950 0.056 0.000 2.664 811 F HA 0.154 4.676 4.527 -0.008 0.000 0.301 811 F C 0.800 176.649 175.800 0.081 0.000 1.126 811 F CA -0.558 57.482 58.000 0.065 0.000 1.373 811 F CB 0.354 39.389 39.000 0.058 0.000 1.042 811 F HN -0.139 nan 8.300 nan 0.000 0.535 812 S N 0.485 116.273 115.700 0.146 0.000 2.531 812 S HA 0.035 4.501 4.470 -0.007 0.000 0.279 812 S C 1.518 176.203 174.600 0.142 0.000 1.305 812 S CA -0.052 58.230 58.200 0.137 0.000 1.058 812 S CB 0.677 63.930 63.200 0.088 0.000 0.899 812 S HN 0.398 nan 8.310 nan 0.000 0.493 813 S N 3.436 119.248 115.700 0.186 0.000 2.474 813 S HA -0.098 4.367 4.470 -0.007 0.000 0.235 813 S C 1.030 175.700 174.600 0.118 0.000 0.997 813 S CA 0.870 59.207 58.200 0.229 0.000 0.949 813 S CB -0.371 63.034 63.200 0.341 0.000 0.766 813 S HN 0.790 nan 8.310 nan 0.000 0.517 814 D N 1.967 122.416 120.400 0.081 0.000 2.123 814 D HA -0.105 4.530 4.640 -0.007 0.000 0.196 814 D C 2.107 178.416 176.300 0.016 0.000 0.992 814 D CA 0.926 54.949 54.000 0.039 0.000 0.833 814 D CB -0.369 40.450 40.800 0.033 0.000 0.954 814 D HN 0.294 nan 8.370 nan 0.000 0.455 815 R N 0.707 121.217 120.500 0.017 0.000 2.073 815 R HA -0.099 4.236 4.340 -0.007 0.000 0.234 815 R C 1.951 178.241 176.300 -0.017 0.000 1.134 815 R CA 1.520 57.613 56.100 -0.012 0.000 0.952 815 R CB -0.823 29.456 30.300 -0.036 0.000 0.850 815 R HN 0.151 nan 8.270 nan 0.000 0.433 816 T N 2.165 116.734 114.554 0.025 0.000 2.652 816 T HA -0.133 4.212 4.350 -0.007 0.000 0.267 816 T C 1.929 176.622 174.700 -0.011 0.000 1.039 816 T CA 1.420 63.550 62.100 0.049 0.000 1.153 816 T CB -0.142 68.850 68.868 0.205 0.000 0.863 816 T HN 0.106 nan 8.240 nan 0.000 0.428 817 I N 1.644 122.142 120.570 -0.119 0.000 2.315 817 I HA -0.079 4.087 4.170 -0.007 0.000 0.248 817 I C 2.912 178.981 176.117 -0.080 0.000 1.117 817 I CA 0.882 62.072 61.300 -0.182 0.000 1.404 817 I CB -1.636 36.258 38.000 -0.176 0.000 1.071 817 I HN 0.195 nan 8.210 nan 0.000 0.419 818 A N 0.154 122.947 122.820 -0.045 0.000 1.940 818 A HA -0.245 4.070 4.320 -0.007 0.000 0.219 818 A C 2.257 179.793 177.584 -0.080 0.000 1.176 818 A CA 1.490 53.507 52.037 -0.033 0.000 0.631 818 A CB -0.558 18.429 19.000 -0.021 0.000 0.814 818 A HN 0.504 nan 8.150 nan 0.000 0.446 819 Q N -1.805 117.924 119.800 -0.119 0.000 2.046 819 Q HA -0.181 4.154 4.340 -0.007 0.000 0.200 819 Q C 1.980 177.788 176.000 -0.320 0.000 0.975 819 Q CA 1.710 57.398 55.803 -0.192 0.000 0.836 819 Q CB -0.331 28.281 28.738 -0.210 0.000 0.896 819 Q HN 0.816 nan 8.270 nan 0.000 0.428 820 Y N 0.602 120.592 120.300 -0.516 0.000 2.114 820 Y HA -0.318 4.228 4.550 -0.008 0.000 0.282 820 Y C 2.469 177.762 175.900 -1.013 0.000 1.165 820 Y CA 1.388 58.906 58.100 -0.970 0.000 1.148 820 Y CB -0.499 37.049 38.460 -1.520 0.000 0.972 820 Y HN 0.175 nan 8.280 nan 0.000 0.504 821 A N 0.215 122.797 122.820 -0.397 0.000 1.865 821 A HA -0.227 4.088 4.320 -0.007 0.000 0.217 821 A C 2.235 179.839 177.584 0.033 0.000 1.191 821 A CA 2.103 54.178 52.037 0.063 0.000 0.623 821 A CB -0.574 18.534 19.000 0.180 0.000 0.826 821 A HN 0.444 nan 8.150 nan 0.000 0.444 822 R N -0.787 119.688 120.500 -0.042 0.000 2.093 822 R HA -0.002 4.333 4.340 -0.007 0.000 0.224 822 R C 1.833 178.109 176.300 -0.040 0.000 1.101 822 R CA 1.412 57.500 56.100 -0.021 0.000 0.979 822 R CB -0.131 30.151 30.300 -0.030 0.000 0.877 822 R HN 0.651 nan 8.270 nan 0.000 0.441 823 E N -0.508 119.626 120.200 -0.110 0.000 2.364 823 E HA 0.102 4.447 4.350 -0.007 0.000 0.196 823 E C 1.385 177.937 176.600 -0.081 0.000 0.990 823 E CA 0.449 56.787 56.400 -0.103 0.000 0.886 823 E CB 0.563 30.170 29.700 -0.155 0.000 0.866 823 E HN 0.268 nan 8.360 nan 0.000 0.493 824 I N -1.191 119.300 120.570 -0.132 0.000 3.739 824 I HA 0.020 4.185 4.170 -0.007 0.000 0.272 824 I C 1.318 177.581 176.117 0.244 0.000 1.167 824 I CA -0.094 61.196 61.300 -0.017 0.000 1.386 824 I CB 0.223 38.078 38.000 -0.242 0.000 1.490 824 I HN 0.107 nan 8.210 nan 0.000 0.452 825 W N 1.545 122.938 121.300 0.155 0.000 2.576 825 W HA 0.289 4.945 4.660 -0.007 0.000 0.270 825 W C 1.561 178.118 176.519 0.065 0.000 1.255 825 W CA 0.916 58.336 57.345 0.125 0.000 1.314 825 W CB -1.157 28.365 29.460 0.103 0.000 1.101 825 W HN 0.329 nan 8.180 nan 0.000 0.595 826 G N 1.049 109.990 108.800 0.235 0.000 2.225 826 G HA2 -0.124 3.832 3.960 -0.007 0.000 0.264 826 G HA3 -0.124 3.832 3.960 -0.007 0.000 0.264 826 G C -0.263 174.713 174.900 0.125 0.000 1.060 826 G CA 0.255 45.434 45.100 0.131 0.000 0.833 826 G HN 0.413 nan 8.290 nan 0.000 0.498 827 V N -3.282 116.730 119.914 0.163 0.000 2.823 827 V HA 0.929 5.045 4.120 -0.007 0.000 0.312 827 V C -0.244 175.913 176.094 0.105 0.000 1.072 827 V CA -1.386 60.990 62.300 0.125 0.000 0.937 827 V CB 2.253 34.158 31.823 0.135 0.000 1.013 827 V HN 0.437 nan 8.190 nan 0.000 0.430 828 E N 5.035 125.279 120.200 0.074 0.000 2.109 828 E HA 0.596 4.941 4.350 -0.007 0.000 0.278 828 E C -2.419 174.219 176.600 0.064 0.000 0.954 828 E CA -2.060 54.376 56.400 0.059 0.000 0.779 828 E CB 1.310 31.036 29.700 0.044 0.000 1.093 828 E HN 0.779 nan 8.360 nan 0.000 0.401 829 P HA 0.119 nan 4.420 nan 0.000 0.270 829 P C -0.907 176.423 177.300 0.051 0.000 1.223 829 P CA -0.420 62.717 63.100 0.061 0.000 0.785 829 P CB 1.164 32.895 31.700 0.052 0.000 0.923 830 S N 0.829 116.561 115.700 0.053 0.000 2.603 830 S HA 0.288 4.754 4.470 -0.007 0.000 0.274 830 S C 0.424 175.050 174.600 0.043 0.000 1.168 830 S CA -0.721 57.508 58.200 0.047 0.000 0.963 830 S CB 0.792 64.025 63.200 0.056 0.000 1.078 830 S HN 0.231 nan 8.310 nan 0.000 0.477 831 R N 1.909 122.430 120.500 0.035 0.000 2.320 831 R HA 0.141 4.477 4.340 -0.007 0.000 0.211 831 R C 0.383 176.695 176.300 0.020 0.000 0.931 831 R CA -0.071 56.049 56.100 0.032 0.000 1.071 831 R CB -0.513 29.807 30.300 0.034 0.000 1.025 831 R HN 0.655 nan 8.270 nan 0.000 0.495 832 Q N 1.824 121.635 119.800 0.018 0.000 2.286 832 Q HA -0.030 4.306 4.340 -0.007 0.000 0.290 832 Q C -0.274 175.717 176.000 -0.016 0.000 1.049 832 Q CA 0.427 56.233 55.803 0.005 0.000 0.923 832 Q CB 0.421 29.166 28.738 0.012 0.000 1.183 832 Q HN -0.025 nan 8.270 nan 0.000 0.383 833 R N 3.527 124.010 120.500 -0.028 0.000 2.390 833 R HA 0.238 4.573 4.340 -0.007 0.000 0.291 833 R C -0.773 175.486 176.300 -0.069 0.000 1.070 833 R CA -0.632 55.439 56.100 -0.048 0.000 1.014 833 R CB 0.380 30.652 30.300 -0.046 0.000 1.007 833 R HN 0.569 nan 8.270 nan 0.000 0.466 834 L N 6.531 127.696 121.223 -0.097 0.000 2.436 834 L HA 0.314 4.649 4.340 -0.007 0.000 0.265 834 L C -1.778 175.040 176.870 -0.086 0.000 1.168 834 L CA -1.615 53.145 54.840 -0.133 0.000 0.815 834 L CB 0.456 42.404 42.059 -0.185 0.000 1.109 834 L HN 0.656 nan 8.230 nan 0.000 0.462 835 P HA 0.000 nan 4.420 nan 0.000 0.216 835 P CA 0.000 63.074 63.100 -0.043 0.000 0.800 835 P CB 0.000 31.682 31.700 -0.030 0.000 0.726