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 1oh7_1_B DATA FIRST_RESID 14 DATA SEQUENCE MQQYLRLKAQ HPEILLFYRM GDFYELFYDD AKRASQLLDI SLTXXXXXXX DATA SEQUENCE XXXPMAGIPY HAVENYLAKL VNQGESVAIC EXXXXXXXXX XXXXRKVVRI DATA SEQUENCE VTPGTISDEA LLQERQDNLL AAIWQDSKGF GYATLDISSG RFRLSEPADR DATA SEQUENCE ETMAAELQRT NPAELLYAED FAEMSLIEGR RGLRRRPLWE FEIDTARQQL DATA SEQUENCE NLQFGTRDLV GFGVENAPRG LCAAGCLLQY AKDTQRTTLP HIRSITMERE DATA SEQUENCE QDSIIMDAAT RRNLEITQNL AGGAENTLAS VLDCTVTPMG SRMLKRWLHM DATA SEQUENCE PVRDTRVLLE RQQTIGALQD FTAGLQPVLR QVGDLERILA RLALRTARPR DATA SEQUENCE DLARMRHAFQ QLPELRAQLE TVDSAPVQAL REKMGEFAEL RDLLERAIID DATA SEQUENCE TPPVLVRDGG VIASGYNEEL DEWRALADGA TDYLERLEVR ERERTGLDTL DATA SEQUENCE KVGFNAVHGY YIQISRGQSH LAPINYMRRQ TLKNAERYII PELKEYEDKV DATA SEQUENCE LTSKGKALAL EKQLYEELFD LLLPHLEALQ QSASALAELD VLVNLAERAY DATA SEQUENCE TLNYTCPTFI DKPGIRITEG RHPVVEQVLN EPFIANPLNL SPQRRMLIIT DATA SEQUENCE GPNMGGKSTY MRQTALIALM AYIGSYVPAQ KVEIGPIDRI FTRVGXXXXX DATA SEQUENCE XXXXXTFMVE MTETANILHN ATEYSLVLMD EIGRGTSTYD GLSLAWACAE DATA SEQUENCE NLANKIKALT LFATHYFELT QLPEKMEGVA NVHLDALEHG DTIAFMHSVQ DATA SEQUENCE DGAASKSYGL AVAALAGVPK EVIKRARQKL RELESIS 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 14 M HA 0.000 nan 4.480 nan 0.000 0.227 14 M C 0.000 176.247 176.300 -0.089 0.000 1.140 14 M CA 0.000 55.252 55.300 -0.080 0.000 0.988 14 M CB 0.000 32.447 32.600 -0.255 0.000 1.302 15 Q N 0.529 120.308 119.800 -0.035 0.000 2.398 15 Q HA 0.089 4.429 4.340 0.001 0.000 0.204 15 Q C 0.992 176.990 176.000 -0.004 0.000 0.932 15 Q CA 0.704 56.490 55.803 -0.028 0.000 0.916 15 Q CB 0.417 29.140 28.738 -0.024 0.000 1.024 15 Q HN 0.785 nan 8.270 nan 0.000 0.504 16 Q N -0.170 119.645 119.800 0.025 0.000 2.297 16 Q HA 0.003 4.344 4.340 0.001 0.000 0.265 16 Q C 0.172 176.194 176.000 0.037 0.000 0.904 16 Q CA -0.178 55.654 55.803 0.047 0.000 0.969 16 Q CB 0.250 29.043 28.738 0.092 0.000 1.115 16 Q HN 0.370 nan 8.270 nan 0.000 0.433 17 Y N -1.116 119.068 120.300 -0.193 0.000 2.576 17 Y HA 0.087 4.637 4.550 0.001 0.000 0.282 17 Y C 1.432 177.228 175.900 -0.174 0.000 1.139 17 Y CA 0.229 58.115 58.100 -0.358 0.000 1.265 17 Y CB 0.000 38.101 38.460 -0.600 0.000 1.376 17 Y HN 0.201 nan 8.280 nan 0.000 0.511 18 L N 0.612 121.781 121.223 -0.091 0.000 2.131 18 L HA -0.177 4.163 4.340 0.001 0.000 0.210 18 L C 2.529 179.312 176.870 -0.145 0.000 1.092 18 L CA 1.214 55.980 54.840 -0.123 0.000 0.759 18 L CB -0.303 41.742 42.059 -0.024 0.000 0.903 18 L HN 0.211 nan 8.230 nan 0.000 0.435 19 R N -0.427 120.012 120.500 -0.102 0.000 2.091 19 R HA -0.173 4.168 4.340 0.001 0.000 0.238 19 R C 2.173 178.426 176.300 -0.078 0.000 1.136 19 R CA 1.536 57.595 56.100 -0.068 0.000 0.959 19 R CB -0.470 29.811 30.300 -0.032 0.000 0.856 19 R HN 0.412 nan 8.270 nan 0.000 0.437 20 L N 0.132 121.285 121.223 -0.117 0.000 2.217 20 L HA -0.091 4.249 4.340 0.001 0.000 0.211 20 L C 2.322 179.122 176.870 -0.118 0.000 1.107 20 L CA 0.984 55.773 54.840 -0.085 0.000 0.783 20 L CB -0.147 41.885 42.059 -0.044 0.000 0.919 20 L HN 0.049 nan 8.230 nan 0.000 0.442 21 K N -0.009 120.241 120.400 -0.249 0.000 2.486 21 K HA 0.008 4.328 4.320 0.001 0.000 0.194 21 K C 1.919 178.477 176.600 -0.069 0.000 1.033 21 K CA 0.610 56.793 56.287 -0.173 0.000 1.004 21 K CB 0.176 32.517 32.500 -0.265 0.000 0.798 21 K HN 0.250 nan 8.250 nan 0.000 0.495 22 A N 0.582 123.361 122.820 -0.069 0.000 1.897 22 A HA -0.164 4.156 4.320 0.001 0.000 0.215 22 A C 1.997 179.554 177.584 -0.045 0.000 1.181 22 A CA 1.035 53.046 52.037 -0.044 0.000 0.620 22 A CB -0.413 18.561 19.000 -0.043 0.000 0.821 22 A HN 0.390 nan 8.150 nan 0.000 0.443 23 Q N -0.943 118.835 119.800 -0.037 0.000 2.062 23 Q HA -0.177 4.163 4.340 0.001 0.000 0.209 23 Q C -0.122 175.756 176.000 -0.204 0.000 0.996 23 Q CA 1.531 57.296 55.803 -0.063 0.000 0.859 23 Q CB -0.045 28.726 28.738 0.054 0.000 0.920 23 Q HN 0.762 nan 8.270 nan 0.000 0.415 24 H N -1.656 117.410 119.070 -0.006 0.000 3.036 24 H HA 0.157 4.713 4.556 0.001 0.000 0.295 24 H C -1.973 173.361 175.328 0.010 0.000 1.124 24 H CA -1.606 54.447 56.048 0.008 0.000 1.507 24 H CB 1.894 31.664 29.762 0.013 0.000 1.591 24 H HN 0.269 nan 8.280 nan 0.000 0.510 25 P HA -0.085 nan 4.420 nan 0.000 0.217 25 P C 1.254 178.607 177.300 0.088 0.000 1.153 25 P CA 0.735 63.876 63.100 0.067 0.000 0.843 25 P CB 0.541 32.263 31.700 0.037 0.000 0.794 26 E N 0.866 121.121 120.200 0.092 0.000 2.526 26 E HA -0.024 4.326 4.350 0.001 0.000 0.198 26 E C 0.178 176.839 176.600 0.103 0.000 1.091 26 E CA 0.173 56.629 56.400 0.093 0.000 0.880 26 E CB -0.625 29.126 29.700 0.084 0.000 0.873 26 E HN 0.331 nan 8.360 nan 0.000 0.527 27 I N 1.575 122.213 120.570 0.113 0.000 2.509 27 I HA 0.225 4.395 4.170 0.001 0.000 0.293 27 I C 0.252 176.437 176.117 0.113 0.000 1.020 27 I CA -1.149 60.209 61.300 0.097 0.000 1.088 27 I CB 2.000 40.044 38.000 0.073 0.000 1.267 27 I HN -0.111 nan 8.210 nan 0.000 0.430 28 L N 5.999 127.293 121.223 0.119 0.000 2.514 28 L HA 0.083 4.424 4.340 0.001 0.000 0.280 28 L C -0.271 176.735 176.870 0.226 0.000 1.223 28 L CA 0.331 55.283 54.840 0.188 0.000 0.864 28 L CB 0.158 42.346 42.059 0.215 0.000 1.118 28 L HN 0.468 nan 8.230 nan 0.000 0.494 29 L N 3.955 125.374 121.223 0.327 0.000 2.384 29 L HA 0.364 4.704 4.340 0.001 0.000 0.261 29 L C -0.684 176.519 176.870 0.556 0.000 1.024 29 L CA -0.618 54.442 54.840 0.366 0.000 0.899 29 L CB 0.570 42.784 42.059 0.258 0.000 1.243 29 L HN 0.331 nan 8.230 nan 0.000 0.449 30 F N 3.093 123.172 119.950 0.215 0.000 2.538 30 F HA 0.016 4.543 4.527 0.001 0.000 0.382 30 F C 0.015 176.095 175.800 0.466 0.000 1.069 30 F CA 0.253 58.410 58.000 0.262 0.000 1.138 30 F CB -0.151 38.870 39.000 0.036 0.000 1.068 30 F HN 0.261 nan 8.300 nan 0.000 0.556 31 Y N 4.309 124.883 120.300 0.458 0.000 2.328 31 Y HA 0.465 5.015 4.550 0.001 0.000 0.333 31 Y C 0.207 176.299 175.900 0.321 0.000 0.958 31 Y CA -1.533 56.834 58.100 0.444 0.000 1.167 31 Y CB 0.485 39.282 38.460 0.562 0.000 1.151 31 Y HN 0.501 nan 8.280 nan 0.000 0.470 32 R N 4.640 125.018 120.500 -0.203 0.000 2.522 32 R HA 0.100 4.441 4.340 0.001 0.000 0.284 32 R C 0.094 176.228 176.300 -0.277 0.000 1.032 32 R CA 0.734 56.657 56.100 -0.294 0.000 1.049 32 R CB 0.266 30.397 30.300 -0.282 0.000 0.956 32 R HN 0.848 nan 8.270 nan 0.000 0.422 33 M N 1.566 121.095 119.600 -0.118 0.000 2.139 33 M HA 0.283 4.763 4.480 0.001 0.000 0.343 33 M C 0.583 176.875 176.300 -0.014 0.000 0.886 33 M CA 0.765 56.062 55.300 -0.005 0.000 1.134 33 M CB 1.124 33.778 32.600 0.089 0.000 2.064 33 M HN 0.752 nan 8.290 nan 0.000 0.699 34 G N -0.335 108.453 108.800 -0.021 0.000 3.091 34 G HA2 0.031 3.992 3.960 0.001 0.000 0.137 34 G HA3 0.031 3.992 3.960 0.001 0.000 0.137 34 G C -0.729 174.150 174.900 -0.034 0.000 1.180 34 G CA -0.186 44.915 45.100 0.001 0.000 1.466 34 G HN 0.110 nan 8.290 nan 0.000 0.704 35 D N 0.869 121.326 120.400 0.095 0.000 2.434 35 D HA 0.425 5.065 4.640 0.001 0.000 0.232 35 D C -0.813 175.376 176.300 -0.184 0.000 1.166 35 D CA 0.313 54.276 54.000 -0.062 0.000 0.830 35 D CB 0.127 40.892 40.800 -0.059 0.000 0.960 35 D HN 0.045 nan 8.370 nan 0.000 0.497 36 F N -0.603 119.233 119.950 -0.190 0.000 2.613 36 F HA 0.353 4.880 4.527 0.000 0.000 0.314 36 F C -0.591 175.009 175.800 -0.333 0.000 1.075 36 F CA -1.154 56.746 58.000 -0.168 0.000 0.945 36 F CB 1.516 40.441 39.000 -0.124 0.000 1.310 36 F HN -0.261 nan 8.300 nan 0.000 0.467 37 Y N 0.982 121.350 120.300 0.114 0.000 2.352 37 Y HA 0.463 5.013 4.550 0.001 0.000 0.339 37 Y C -0.446 175.357 175.900 -0.162 0.000 0.992 37 Y CA -0.777 57.327 58.100 0.007 0.000 1.100 37 Y CB 1.519 39.987 38.460 0.012 0.000 1.192 37 Y HN 0.391 nan 8.280 nan 0.000 0.458 38 E N 3.980 124.190 120.200 0.016 0.000 2.218 38 E HA 0.426 4.776 4.350 0.001 0.000 0.263 38 E C -1.540 174.853 176.600 -0.345 0.000 0.879 38 E CA -0.842 55.405 56.400 -0.256 0.000 0.762 38 E CB 2.048 31.572 29.700 -0.294 0.000 1.166 38 E HN 0.452 nan 8.360 nan 0.000 0.415 39 L N 3.419 124.360 121.223 -0.471 0.000 2.307 39 L HA 0.457 4.797 4.340 0.001 0.000 0.282 39 L C -0.401 176.125 176.870 -0.574 0.000 1.051 39 L CA -0.070 54.600 54.840 -0.282 0.000 0.804 39 L CB 0.325 42.307 42.059 -0.128 0.000 1.197 39 L HN 0.512 nan 8.230 nan 0.000 0.431 40 F N -0.226 119.680 119.950 -0.074 0.000 2.977 40 F HA 0.412 4.939 4.527 0.001 0.000 0.317 40 F C -0.306 175.511 175.800 0.028 0.000 1.425 40 F CA -0.738 57.162 58.000 -0.167 0.000 1.038 40 F CB -0.038 38.714 39.000 -0.413 0.000 1.797 40 F HN 0.083 nan 8.300 nan 0.000 0.442 41 Y N 2.371 122.809 120.300 0.230 0.000 2.852 41 Y HA -0.043 4.508 4.550 0.001 0.000 0.343 41 Y C 0.929 176.918 175.900 0.147 0.000 1.280 41 Y CA 0.686 58.878 58.100 0.153 0.000 1.604 41 Y CB -0.805 37.734 38.460 0.131 0.000 1.216 41 Y HN 0.423 nan 8.280 nan 0.000 0.541 42 D N 0.809 121.326 120.400 0.195 0.000 2.978 42 D HA -0.239 4.401 4.640 0.001 0.000 0.205 42 D C 0.699 177.087 176.300 0.146 0.000 1.093 42 D CA 1.570 55.662 54.000 0.154 0.000 1.006 42 D CB -0.605 40.294 40.800 0.165 0.000 1.116 42 D HN 0.677 nan 8.370 nan 0.000 0.419 43 D N -0.694 119.810 120.400 0.173 0.000 2.240 43 D HA 0.169 4.809 4.640 0.001 0.000 0.206 43 D C 2.067 178.424 176.300 0.095 0.000 0.963 43 D CA 1.157 55.251 54.000 0.157 0.000 0.863 43 D CB -0.315 40.617 40.800 0.220 0.000 0.973 43 D HN 0.381 nan 8.370 nan 0.000 0.501 44 A N 1.215 124.064 122.820 0.048 0.000 1.968 44 A HA -0.129 4.192 4.320 0.001 0.000 0.217 44 A C 2.024 179.599 177.584 -0.015 0.000 1.169 44 A CA 0.958 52.975 52.037 -0.033 0.000 0.638 44 A CB -0.097 18.834 19.000 -0.115 0.000 0.812 44 A HN -0.029 nan 8.150 nan 0.000 0.446 45 K N -0.016 120.392 120.400 0.014 0.000 1.965 45 K HA -0.103 4.218 4.320 0.001 0.000 0.214 45 K C 2.057 178.676 176.600 0.032 0.000 1.046 45 K CA 1.181 57.479 56.287 0.019 0.000 0.944 45 K CB -0.559 31.962 32.500 0.036 0.000 0.726 45 K HN 0.349 nan 8.250 nan 0.000 0.441 46 R N 0.405 120.936 120.500 0.052 0.000 2.153 46 R HA -0.179 4.162 4.340 0.001 0.000 0.252 46 R C 2.185 178.524 176.300 0.065 0.000 1.158 46 R CA 1.645 57.782 56.100 0.062 0.000 0.975 46 R CB -0.393 29.956 30.300 0.080 0.000 0.871 46 R HN 0.297 nan 8.270 nan 0.000 0.450 47 A N 0.218 123.074 122.820 0.061 0.000 1.930 47 A HA -0.075 4.246 4.320 0.001 0.000 0.215 47 A C 2.124 179.739 177.584 0.051 0.000 1.176 47 A CA 1.381 53.460 52.037 0.070 0.000 0.632 47 A CB -0.135 18.894 19.000 0.048 0.000 0.819 47 A HN 0.404 nan 8.150 nan 0.000 0.445 48 S N 0.189 115.901 115.700 0.021 0.000 2.489 48 S HA -0.149 4.321 4.470 0.001 0.000 0.228 48 S C 1.894 176.512 174.600 0.030 0.000 0.995 48 S CA 0.944 59.154 58.200 0.017 0.000 0.934 48 S CB -0.279 62.915 63.200 -0.010 0.000 0.771 48 S HN 0.844 nan 8.310 nan 0.000 0.522 49 Q N 1.259 121.080 119.800 0.034 0.000 2.204 49 Q HA 0.180 4.520 4.340 0.001 0.000 0.198 49 Q C 1.868 177.893 176.000 0.042 0.000 0.946 49 Q CA 0.628 56.452 55.803 0.034 0.000 0.859 49 Q CB -0.411 28.346 28.738 0.032 0.000 0.946 49 Q HN 0.510 nan 8.270 nan 0.000 0.474 50 L N 0.170 121.426 121.223 0.055 0.000 2.492 50 L HA 0.114 4.454 4.340 0.001 0.000 0.223 50 L C 1.425 178.336 176.870 0.067 0.000 1.132 50 L CA 0.391 55.266 54.840 0.058 0.000 0.850 50 L CB 0.288 42.389 42.059 0.069 0.000 0.966 50 L HN 0.241 nan 8.230 nan 0.000 0.454 51 L N -1.975 119.299 121.223 0.086 0.000 3.086 51 L HA 0.217 4.558 4.340 0.001 0.000 0.274 51 L C 0.319 177.256 176.870 0.110 0.000 1.184 51 L CA -0.098 54.813 54.840 0.119 0.000 1.002 51 L CB 0.474 42.669 42.059 0.228 0.000 1.383 51 L HN 0.049 nan 8.230 nan 0.000 0.582 52 D N 1.068 121.512 120.400 0.073 0.000 2.978 52 D HA -0.192 4.448 4.640 0.001 0.000 0.205 52 D C 0.482 176.820 176.300 0.064 0.000 1.093 52 D CA 1.329 55.364 54.000 0.058 0.000 1.006 52 D CB -0.501 40.327 40.800 0.047 0.000 1.116 52 D HN 0.491 nan 8.370 nan 0.000 0.419 53 I N -1.442 119.176 120.570 0.079 0.000 2.886 53 I HA 0.388 4.558 4.170 0.001 0.000 0.299 53 I C 0.710 176.834 176.117 0.011 0.000 1.044 53 I CA -0.502 60.828 61.300 0.050 0.000 1.310 53 I CB 1.245 39.270 38.000 0.041 0.000 1.441 53 I HN -0.243 nan 8.210 nan 0.000 0.578 54 S N 3.334 119.028 115.700 -0.010 0.000 2.693 54 S HA 0.712 5.182 4.470 0.001 0.000 0.276 54 S C -0.277 174.292 174.600 -0.053 0.000 1.192 54 S CA -0.765 57.420 58.200 -0.025 0.000 0.994 54 S CB 1.627 64.813 63.200 -0.023 0.000 1.012 54 S HN 0.619 nan 8.310 nan 0.000 0.550 55 L N -1.116 120.073 121.223 -0.057 0.000 2.350 55 L HA 0.962 5.302 4.340 0.001 0.000 0.260 55 L C -0.531 176.290 176.870 -0.081 0.000 1.015 55 L CA -0.260 54.530 54.840 -0.082 0.000 0.821 55 L CB 1.863 43.878 42.059 -0.074 0.000 1.370 55 L HN 0.623 nan 8.230 nan 0.000 0.416 68 M N 1.368 120.843 119.600 -0.210 0.000 2.163 68 M HA 0.736 5.216 4.480 0.001 0.000 0.305 68 M C -0.407 175.704 176.300 -0.316 0.000 1.166 68 M CA 0.128 55.225 55.300 -0.339 0.000 1.132 68 M CB 1.349 33.796 32.600 -0.255 0.000 1.413 68 M HN 0.419 nan 8.290 nan 0.000 0.478 69 A N 0.736 123.314 122.820 -0.402 0.000 2.601 69 A HA 0.808 5.129 4.320 0.001 0.000 0.291 69 A C -0.922 176.476 177.584 -0.311 0.000 1.075 69 A CA -0.113 51.756 52.037 -0.281 0.000 0.671 69 A CB 1.374 20.246 19.000 -0.213 0.000 1.277 69 A HN 0.952 nan 8.150 nan 0.000 0.417 70 G N -0.688 107.977 108.800 -0.225 0.000 2.720 70 G HA2 0.758 4.719 3.960 0.001 0.000 0.295 70 G HA3 0.758 4.719 3.960 0.001 0.000 0.295 70 G C -1.322 173.499 174.900 -0.131 0.000 1.437 70 G CA 0.108 45.116 45.100 -0.153 0.000 0.886 70 G HN 1.916 nan 8.290 nan 0.000 0.509 71 I N -1.268 119.249 120.570 -0.087 0.000 2.656 71 I HA 0.686 4.857 4.170 0.001 0.000 0.292 71 I C -2.729 173.266 176.117 -0.202 0.000 1.144 71 I CA -2.792 58.343 61.300 -0.275 0.000 1.038 71 I CB 2.666 40.304 38.000 -0.604 0.000 1.244 71 I HN 0.296 nan 8.210 nan 0.000 0.420 72 P HA -0.047 nan 4.420 nan 0.000 0.270 72 P C -0.158 177.038 177.300 -0.175 0.000 1.223 72 P CA 0.172 62.946 63.100 -0.544 0.000 0.785 72 P CB 0.601 32.099 31.700 -0.338 0.000 0.923 73 Y N 1.669 121.823 120.300 -0.242 0.000 2.263 73 Y HA -0.209 4.341 4.550 0.001 0.000 0.292 73 Y C 2.672 178.626 175.900 0.091 0.000 1.130 73 Y CA 1.710 59.810 58.100 -0.000 0.000 1.179 73 Y CB -0.891 37.525 38.460 -0.074 0.000 0.998 73 Y HN 0.531 nan 8.280 nan 0.000 0.532 74 H N -0.184 118.845 119.070 -0.068 0.000 2.457 74 H HA -0.005 4.552 4.556 0.001 0.000 0.297 74 H C -0.034 175.240 175.328 -0.090 0.000 1.092 74 H CA 0.814 56.798 56.048 -0.106 0.000 1.309 74 H CB 0.071 29.820 29.762 -0.021 0.000 1.382 74 H HN 0.334 nan 8.280 nan 0.000 0.535 75 A N 1.250 123.911 122.820 -0.263 0.000 2.786 75 A HA 0.431 4.752 4.320 0.001 0.000 0.346 75 A C 0.684 178.307 177.584 0.067 0.000 1.265 75 A CA -0.504 51.443 52.037 -0.149 0.000 0.858 75 A CB 0.359 19.356 19.000 -0.005 0.000 1.118 75 A HN 0.226 nan 8.150 nan 0.000 0.482 76 V N -0.171 119.738 119.914 -0.007 0.000 3.013 76 V HA 0.056 4.176 4.120 0.001 0.000 0.238 76 V C 1.891 177.991 176.094 0.009 0.000 1.161 76 V CA 0.650 62.981 62.300 0.052 0.000 1.170 76 V CB -0.687 31.095 31.823 -0.069 0.000 0.917 76 V HN 0.573 nan 8.190 nan 0.000 0.478 77 E N 1.492 121.652 120.200 -0.066 0.000 2.153 77 E HA -0.220 4.131 4.350 0.001 0.000 0.194 77 E C 1.900 178.465 176.600 -0.058 0.000 0.988 77 E CA 1.531 57.886 56.400 -0.075 0.000 0.811 77 E CB -0.349 29.299 29.700 -0.086 0.000 0.746 77 E HN 0.627 nan 8.360 nan 0.000 0.466 78 N N -0.145 118.525 118.700 -0.051 0.000 2.270 78 N HA -0.120 4.620 4.740 0.001 0.000 0.181 78 N C 1.233 176.646 175.510 -0.161 0.000 1.016 78 N CA 0.846 53.829 53.050 -0.112 0.000 0.870 78 N CB -0.073 38.321 38.487 -0.156 0.000 0.979 78 N HN 0.149 nan 8.380 nan 0.000 0.431 79 Y N -0.515 119.770 120.300 -0.025 0.000 2.500 79 Y HA 0.271 4.821 4.550 0.001 0.000 0.270 79 Y C 1.633 177.552 175.900 0.032 0.000 1.134 79 Y CA 0.140 58.263 58.100 0.038 0.000 1.293 79 Y CB 0.301 38.828 38.460 0.112 0.000 1.063 79 Y HN 0.040 nan 8.280 nan 0.000 0.534 80 L N -1.231 120.032 121.223 0.067 0.000 2.270 80 L HA -0.026 4.314 4.340 0.001 0.000 0.210 80 L C 2.418 179.248 176.870 -0.067 0.000 1.104 80 L CA 0.749 55.544 54.840 -0.075 0.000 0.804 80 L CB -0.249 41.706 42.059 -0.172 0.000 0.937 80 L HN 0.204 nan 8.230 nan 0.000 0.450 81 A N 0.007 122.792 122.820 -0.058 0.000 1.970 81 A HA -0.136 4.184 4.320 0.001 0.000 0.216 81 A C 2.224 179.776 177.584 -0.054 0.000 1.170 81 A CA 1.094 53.092 52.037 -0.064 0.000 0.645 81 A CB -0.081 18.875 19.000 -0.073 0.000 0.816 81 A HN 0.252 nan 8.150 nan 0.000 0.447 82 K N -0.151 120.217 120.400 -0.053 0.000 1.991 82 K HA 0.085 4.405 4.320 0.001 0.000 0.207 82 K C 1.768 178.365 176.600 -0.005 0.000 1.045 82 K CA 1.249 57.512 56.287 -0.040 0.000 0.937 82 K CB -0.403 32.060 32.500 -0.062 0.000 0.720 82 K HN 0.380 nan 8.250 nan 0.000 0.438 83 L N 0.735 121.972 121.223 0.023 0.000 2.081 83 L HA -0.204 4.136 4.340 0.001 0.000 0.212 83 L C 2.342 179.211 176.870 -0.002 0.000 1.080 83 L CA 0.864 55.724 54.840 0.032 0.000 0.754 83 L CB -0.407 41.684 42.059 0.053 0.000 0.893 83 L HN 0.043 nan 8.230 nan 0.000 0.433 84 V N 0.845 120.742 119.914 -0.028 0.000 2.719 84 V HA -0.149 3.971 4.120 0.001 0.000 0.252 84 V C 1.889 177.971 176.094 -0.020 0.000 1.065 84 V CA 1.592 63.873 62.300 -0.033 0.000 1.086 84 V CB -0.483 31.307 31.823 -0.055 0.000 0.700 84 V HN 0.680 nan 8.190 nan 0.000 0.467 85 N N 0.108 118.796 118.700 -0.020 0.000 2.313 85 N HA -0.015 4.725 4.740 0.001 0.000 0.207 85 N C 0.823 176.329 175.510 -0.007 0.000 1.141 85 N CA 0.106 53.146 53.050 -0.016 0.000 0.830 85 N CB 0.268 38.742 38.487 -0.023 0.000 1.008 85 N HN 0.590 nan 8.380 nan 0.000 0.481 86 Q N -0.460 119.340 119.800 0.000 0.000 2.135 86 Q HA 0.246 4.586 4.340 0.001 0.000 0.231 86 Q C 0.082 176.090 176.000 0.014 0.000 0.817 86 Q CA -0.016 55.792 55.803 0.009 0.000 1.073 86 Q CB 0.703 29.451 28.738 0.017 0.000 1.176 86 Q HN 0.413 nan 8.270 nan 0.000 0.478 87 G N 1.614 110.420 108.800 0.010 0.000 2.160 87 G HA2 -0.202 3.758 3.960 0.001 0.000 0.244 87 G HA3 -0.202 3.758 3.960 0.001 0.000 0.244 87 G C -0.358 174.556 174.900 0.024 0.000 1.022 87 G CA -0.075 45.034 45.100 0.015 0.000 0.741 87 G HN 0.215 nan 8.290 nan 0.000 0.508 88 E N 0.522 120.734 120.200 0.020 0.000 2.187 88 E HA 0.523 4.874 4.350 0.001 0.000 0.268 88 E C 0.018 176.620 176.600 0.004 0.000 0.896 88 E CA -0.401 56.014 56.400 0.026 0.000 0.766 88 E CB 1.738 31.459 29.700 0.036 0.000 1.142 88 E HN 0.237 nan 8.360 nan 0.000 0.408 89 S N 0.890 116.597 115.700 0.012 0.000 2.601 89 S HA 0.512 4.982 4.470 0.001 0.000 0.271 89 S C 0.147 174.712 174.600 -0.058 0.000 1.305 89 S CA -0.737 57.451 58.200 -0.020 0.000 1.022 89 S CB 1.171 64.377 63.200 0.011 0.000 0.940 89 S HN 0.265 nan 8.310 nan 0.000 0.525 90 V N 0.792 120.623 119.914 -0.139 0.000 2.709 90 V HA 0.788 4.908 4.120 0.001 0.000 0.308 90 V C -0.288 175.675 176.094 -0.219 0.000 1.062 90 V CA -0.902 61.259 62.300 -0.233 0.000 0.901 90 V CB 1.643 33.157 31.823 -0.514 0.000 1.003 90 V HN 1.015 nan 8.190 nan 0.000 0.425 91 A N 5.167 127.901 122.820 -0.144 0.000 2.318 91 A HA 0.881 5.201 4.320 0.001 0.000 0.317 91 A C -0.761 176.805 177.584 -0.030 0.000 1.159 91 A CA -0.516 51.455 52.037 -0.110 0.000 0.799 91 A CB 0.699 19.646 19.000 -0.089 0.000 1.194 91 A HN 0.593 nan 8.150 nan 0.000 0.479 92 I N 0.674 121.217 120.570 -0.045 0.000 2.566 92 I HA 0.477 4.647 4.170 0.001 0.000 0.303 92 I C 0.108 176.320 176.117 0.158 0.000 0.983 92 I CA -0.902 60.431 61.300 0.054 0.000 1.235 92 I CB 1.150 39.116 38.000 -0.057 0.000 1.386 92 I HN 0.663 nan 8.210 nan 0.000 0.494 93 C N 5.886 125.352 119.300 0.277 0.000 2.481 93 C HA 0.654 5.114 4.460 0.001 0.000 0.324 93 C C -0.450 174.624 174.990 0.141 0.000 1.170 93 C CA -0.129 59.028 59.018 0.232 0.000 1.361 93 C CB 0.624 28.585 27.740 0.369 0.000 1.977 93 C HN 0.935 nan 8.230 nan 0.000 0.459 109 K N 1.278 121.737 120.400 0.099 0.000 2.551 109 K HA 0.245 4.566 4.320 0.001 0.000 0.269 109 K C -1.255 175.405 176.600 0.100 0.000 0.949 109 K CA -0.591 55.756 56.287 0.100 0.000 0.849 109 K CB 2.440 34.983 32.500 0.072 0.000 1.411 109 K HN 0.338 nan 8.250 nan 0.000 0.432 110 V N 3.301 123.275 119.914 0.100 0.000 2.409 110 V HA 0.017 4.138 4.120 0.001 0.000 0.270 110 V C 1.151 177.268 176.094 0.038 0.000 1.019 110 V CA 0.048 62.394 62.300 0.076 0.000 1.066 110 V CB 0.700 32.555 31.823 0.054 0.000 1.021 110 V HN 0.593 nan 8.190 nan 0.000 0.476 111 V N 5.927 125.865 119.914 0.039 0.000 3.644 111 V HA 0.286 4.406 4.120 0.001 0.000 0.267 111 V C 0.845 176.936 176.094 -0.006 0.000 1.277 111 V CA 0.662 62.977 62.300 0.025 0.000 1.096 111 V CB 0.101 31.953 31.823 0.049 0.000 0.828 111 V HN 0.853 nan 8.190 nan 0.000 0.446 112 R N 0.128 120.609 120.500 -0.032 0.000 2.561 112 R HA 0.498 4.839 4.340 0.001 0.000 0.266 112 R C -1.993 174.235 176.300 -0.120 0.000 1.091 112 R CA -0.517 55.540 56.100 -0.070 0.000 0.927 112 R CB 1.729 31.992 30.300 -0.061 0.000 1.240 112 R HN 0.186 nan 8.270 nan 0.000 0.449 113 I N 5.359 125.842 120.570 -0.144 0.000 2.478 113 I HA 0.312 4.482 4.170 0.001 0.000 0.287 113 I C -0.236 175.788 176.117 -0.156 0.000 1.042 113 I CA -1.185 60.010 61.300 -0.176 0.000 1.067 113 I CB 2.071 39.937 38.000 -0.223 0.000 1.233 113 I HN 0.402 nan 8.210 nan 0.000 0.431 114 V N 2.614 122.432 119.914 -0.159 0.000 2.513 114 V HA 0.842 4.962 4.120 0.001 0.000 0.299 114 V C -0.055 175.977 176.094 -0.103 0.000 1.035 114 V CA -0.164 62.056 62.300 -0.134 0.000 0.889 114 V CB 1.545 33.278 31.823 -0.150 0.000 0.988 114 V HN 0.860 nan 8.190 nan 0.000 0.440 115 T N 1.924 116.438 114.554 -0.066 0.000 2.908 115 T HA 0.670 5.021 4.350 0.001 0.000 0.290 115 T C -2.095 172.605 174.700 -0.001 0.000 1.034 115 T CA -1.967 60.129 62.100 -0.006 0.000 1.010 115 T CB 2.203 71.111 68.868 0.068 0.000 1.068 115 T HN 0.455 nan 8.240 nan 0.000 0.481 116 P HA 0.068 nan 4.420 nan 0.000 0.216 116 P C 1.458 178.760 177.300 0.003 0.000 1.150 116 P CA 1.253 64.353 63.100 0.001 0.000 0.837 116 P CB -0.173 31.532 31.700 0.007 0.000 0.786 117 G N -1.838 106.978 108.800 0.026 0.000 3.042 117 G HA2 -0.029 3.931 3.960 0.001 0.000 0.212 117 G HA3 -0.029 3.931 3.960 0.001 0.000 0.212 117 G C 0.899 175.806 174.900 0.011 0.000 1.166 117 G CA 0.778 45.888 45.100 0.016 0.000 0.767 117 G HN 0.367 nan 8.290 nan 0.000 0.546 118 T N -1.203 113.357 114.554 0.010 0.000 3.040 118 T HA 0.360 4.710 4.350 0.001 0.000 0.266 118 T C 0.854 175.531 174.700 -0.039 0.000 1.005 118 T CA -0.534 61.555 62.100 -0.019 0.000 0.906 118 T CB -0.270 68.576 68.868 -0.037 0.000 1.082 118 T HN 0.250 nan 8.240 nan 0.000 0.531 119 I N 0.930 121.478 120.570 -0.038 0.000 2.638 119 I HA 0.593 4.763 4.170 0.001 0.000 0.286 119 I C 0.883 176.975 176.117 -0.042 0.000 1.088 119 I CA -0.528 60.742 61.300 -0.049 0.000 1.397 119 I CB 1.065 39.033 38.000 -0.053 0.000 1.414 119 I HN 0.135 nan 8.210 nan 0.000 0.566 120 S N 0.713 116.384 115.700 -0.049 0.000 2.893 120 S HA 0.259 4.729 4.470 0.001 0.000 0.258 120 S C -0.133 174.437 174.600 -0.050 0.000 1.034 120 S CA -0.659 57.513 58.200 -0.047 0.000 1.167 120 S CB -0.298 62.870 63.200 -0.053 0.000 1.137 120 S HN 0.701 nan 8.310 nan 0.000 0.650 121 D N 2.933 123.303 120.400 -0.051 0.000 2.304 121 D HA 0.105 4.745 4.640 0.001 0.000 0.250 121 D C 1.178 177.452 176.300 -0.043 0.000 1.107 121 D CA 0.015 53.987 54.000 -0.046 0.000 0.885 121 D CB 1.444 42.215 40.800 -0.049 0.000 1.192 121 D HN 0.618 nan 8.370 nan 0.000 0.436 122 E N 1.913 122.090 120.200 -0.039 0.000 2.204 122 E HA -0.160 4.190 4.350 0.001 0.000 0.194 122 E C 1.347 177.923 176.600 -0.040 0.000 0.989 122 E CA 0.851 57.229 56.400 -0.037 0.000 0.824 122 E CB 0.116 29.796 29.700 -0.034 0.000 0.756 122 E HN 0.416 nan 8.360 nan 0.000 0.477 123 A N 0.992 123.786 122.820 -0.043 0.000 2.119 123 A HA 0.038 4.358 4.320 0.001 0.000 0.217 123 A C 2.040 179.591 177.584 -0.054 0.000 1.153 123 A CA 0.589 52.597 52.037 -0.048 0.000 0.692 123 A CB -0.203 18.767 19.000 -0.050 0.000 0.799 123 A HN 0.350 nan 8.150 nan 0.000 0.458 124 L N -1.148 120.042 121.223 -0.054 0.000 2.616 124 L HA 0.290 4.631 4.340 0.001 0.000 0.229 124 L C -0.008 176.833 176.870 -0.049 0.000 1.110 124 L CA -0.035 54.771 54.840 -0.057 0.000 0.884 124 L CB 0.016 42.037 42.059 -0.063 0.000 1.115 124 L HN 0.237 nan 8.230 nan 0.000 0.481 125 L N -0.563 120.634 121.223 -0.043 0.000 2.332 125 L HA 0.341 4.681 4.340 0.001 0.000 0.269 125 L C -0.092 176.757 176.870 -0.034 0.000 1.016 125 L CA -0.471 54.348 54.840 -0.036 0.000 0.809 125 L CB 1.481 43.521 42.059 -0.032 0.000 1.280 125 L HN -0.009 nan 8.230 nan 0.000 0.447 126 Q N 0.948 120.730 119.800 -0.029 0.000 2.274 126 Q HA 0.110 4.450 4.340 0.001 0.000 0.256 126 Q C 0.409 176.395 176.000 -0.023 0.000 0.927 126 Q CA -0.279 55.508 55.803 -0.027 0.000 0.939 126 Q CB 2.021 30.745 28.738 -0.023 0.000 1.201 126 Q HN 0.543 nan 8.270 nan 0.000 0.426 127 E N 2.930 123.115 120.200 -0.025 0.000 2.118 127 E HA -0.197 4.153 4.350 0.001 0.000 0.195 127 E C 0.369 176.957 176.600 -0.021 0.000 0.992 127 E CA 1.049 57.434 56.400 -0.024 0.000 0.804 127 E CB 0.378 30.061 29.700 -0.027 0.000 0.741 127 E HN 0.421 nan 8.360 nan 0.000 0.458 128 R N 0.268 120.758 120.500 -0.017 0.000 2.696 128 R HA 0.196 4.537 4.340 0.001 0.000 0.355 128 R C -0.463 175.833 176.300 -0.007 0.000 1.138 128 R CA -0.075 56.017 56.100 -0.014 0.000 1.059 128 R CB 0.691 30.983 30.300 -0.014 0.000 1.380 128 R HN 0.019 nan 8.270 nan 0.000 0.578 129 Q N 0.702 120.498 119.800 -0.007 0.000 2.268 129 Q HA 0.160 4.500 4.340 0.001 0.000 0.266 129 Q C -1.485 174.513 176.000 -0.004 0.000 1.006 129 Q CA -0.604 55.198 55.803 -0.002 0.000 0.824 129 Q CB 1.752 30.487 28.738 -0.005 0.000 1.306 129 Q HN 0.017 nan 8.270 nan 0.000 0.424 130 D N 1.944 122.344 120.400 0.001 0.000 2.382 130 D HA 0.098 4.738 4.640 0.001 0.000 0.240 130 D C -0.587 175.710 176.300 -0.006 0.000 1.146 130 D CA 0.473 54.473 54.000 0.001 0.000 0.897 130 D CB 0.780 41.585 40.800 0.008 0.000 1.197 130 D HN 0.437 nan 8.370 nan 0.000 0.432 131 N N 1.412 120.108 118.700 -0.007 0.000 2.549 131 N HA 0.285 5.026 4.740 0.001 0.000 0.281 131 N C -1.524 173.977 175.510 -0.014 0.000 1.084 131 N CA -0.404 52.639 53.050 -0.011 0.000 0.862 131 N CB 0.584 39.062 38.487 -0.015 0.000 1.333 131 N HN 0.190 nan 8.380 nan 0.000 0.523 132 L N 2.192 123.406 121.223 -0.015 0.000 2.329 132 L HA 0.559 4.899 4.340 0.001 0.000 0.279 132 L C -0.324 176.526 176.870 -0.033 0.000 1.014 132 L CA -1.320 53.505 54.840 -0.026 0.000 0.814 132 L CB 1.443 43.491 42.059 -0.019 0.000 1.257 132 L HN 0.336 nan 8.230 nan 0.000 0.424 133 L N 2.897 124.088 121.223 -0.053 0.000 2.397 133 L HA 0.684 5.025 4.340 0.001 0.000 0.271 133 L C -0.058 176.751 176.870 -0.102 0.000 1.148 133 L CA 0.259 55.061 54.840 -0.064 0.000 0.825 133 L CB 1.068 43.090 42.059 -0.063 0.000 1.117 133 L HN 0.764 nan 8.230 nan 0.000 0.456 134 A N 4.042 126.798 122.820 -0.108 0.000 2.475 134 A HA 0.942 5.262 4.320 0.001 0.000 0.301 134 A C -1.259 176.253 177.584 -0.119 0.000 1.059 134 A CA -0.128 51.802 52.037 -0.180 0.000 0.710 134 A CB 1.470 20.386 19.000 -0.140 0.000 1.288 134 A HN 1.130 nan 8.150 nan 0.000 0.408 135 A N 1.296 124.036 122.820 -0.132 0.000 2.365 135 A HA 0.822 5.142 4.320 0.001 0.000 0.318 135 A C -0.784 176.924 177.584 0.208 0.000 1.091 135 A CA -0.426 51.639 52.037 0.045 0.000 0.763 135 A CB 0.869 19.887 19.000 0.030 0.000 1.248 135 A HN 1.356 nan 8.150 nan 0.000 0.442 136 I N 1.673 122.431 120.570 0.314 0.000 2.892 136 I HA 0.835 5.005 4.170 0.001 0.000 0.306 136 I C -1.550 174.784 176.117 0.361 0.000 1.078 136 I CA -0.770 60.752 61.300 0.370 0.000 1.032 136 I CB 1.841 39.935 38.000 0.156 0.000 1.229 136 I HN 0.867 nan 8.210 nan 0.000 0.435 137 W N 7.138 128.570 121.300 0.220 0.000 3.464 137 W HA 0.377 5.037 4.660 0.001 0.000 0.292 137 W C -2.475 174.252 176.519 0.346 0.000 1.262 137 W CA -0.474 56.957 57.345 0.143 0.000 1.202 137 W CB 1.594 31.098 29.460 0.072 0.000 1.334 137 W HN 0.617 nan 8.180 nan 0.000 0.561 138 Q N 2.718 122.205 119.800 -0.521 0.000 2.433 138 Q HA 0.485 4.826 4.340 0.001 0.000 0.279 138 Q C -1.799 173.492 176.000 -1.182 0.000 1.105 138 Q CA -0.410 54.961 55.803 -0.721 0.000 0.815 138 Q CB 2.915 31.367 28.738 -0.477 0.000 1.403 138 Q HN 0.446 nan 8.270 nan 0.000 0.435 139 D N -1.377 118.557 120.400 -0.777 0.000 2.570 139 D HA 0.262 4.902 4.640 0.001 0.000 0.244 139 D C 0.270 176.336 176.300 -0.391 0.000 1.178 139 D CA -0.203 53.474 54.000 -0.539 0.000 0.881 139 D CB 2.018 42.608 40.800 -0.351 0.000 1.453 139 D HN 0.503 nan 8.370 nan 0.000 0.447 140 S N 0.628 116.173 115.700 -0.258 0.000 2.381 140 S HA -0.251 4.220 4.470 0.001 0.000 0.230 140 S C 1.557 176.039 174.600 -0.196 0.000 1.052 140 S CA 1.075 59.159 58.200 -0.193 0.000 1.068 140 S CB -0.225 62.904 63.200 -0.118 0.000 0.918 140 S HN 0.426 nan 8.310 nan 0.000 0.448 141 K N 1.547 121.842 120.400 -0.175 0.000 1.980 141 K HA 0.275 4.595 4.320 0.001 0.000 0.208 141 K C 1.477 177.953 176.600 -0.206 0.000 1.043 141 K CA 1.361 57.562 56.287 -0.143 0.000 0.938 141 K CB -1.012 31.441 32.500 -0.079 0.000 0.724 141 K HN 0.527 nan 8.250 nan 0.000 0.438 142 G N -0.859 107.774 108.800 -0.278 0.000 2.510 142 G HA2 0.439 4.399 3.960 0.001 0.000 0.277 142 G HA3 0.439 4.399 3.960 0.001 0.000 0.277 142 G C -1.487 173.122 174.900 -0.484 0.000 1.223 142 G CA -0.850 44.020 45.100 -0.384 0.000 0.887 142 G HN -0.008 nan 8.290 nan 0.000 0.485 143 F N 0.961 120.901 119.950 -0.017 0.000 2.421 143 F HA 0.651 5.179 4.527 0.001 0.000 0.337 143 F C 0.966 176.854 175.800 0.147 0.000 1.105 143 F CA -0.133 57.894 58.000 0.045 0.000 1.049 143 F CB 2.105 41.143 39.000 0.063 0.000 1.139 143 F HN 0.573 nan 8.300 nan 0.000 0.479 144 G N 1.431 110.508 108.800 0.461 0.000 2.389 144 G HA2 0.494 4.454 3.960 0.001 0.000 0.328 144 G HA3 0.494 4.454 3.960 0.001 0.000 0.328 144 G C -2.394 172.832 174.900 0.543 0.000 1.133 144 G CA -0.410 44.994 45.100 0.506 0.000 0.891 144 G HN 0.500 nan 8.290 nan 0.000 0.485 145 Y N 0.494 120.940 120.300 0.243 0.000 2.441 145 Y HA 0.639 5.190 4.550 0.001 0.000 0.334 145 Y C -0.393 175.593 175.900 0.142 0.000 1.061 145 Y CA -1.097 57.109 58.100 0.178 0.000 1.032 145 Y CB 2.074 40.607 38.460 0.121 0.000 1.266 145 Y HN 0.877 nan 8.280 nan 0.000 0.441 146 A N 2.757 125.402 122.820 -0.291 0.000 2.435 146 A HA 0.859 5.180 4.320 0.001 0.000 0.304 146 A C -0.973 176.377 177.584 -0.390 0.000 1.064 146 A CA -0.332 51.583 52.037 -0.204 0.000 0.727 146 A CB 1.351 20.373 19.000 0.038 0.000 1.284 146 A HN 0.864 nan 8.150 nan 0.000 0.415 147 T N -0.477 113.989 114.554 -0.147 0.000 2.921 147 T HA 0.607 4.958 4.350 0.001 0.000 0.297 147 T C -1.114 173.586 174.700 -0.000 0.000 1.013 147 T CA -0.514 61.507 62.100 -0.132 0.000 0.990 147 T CB 1.090 69.890 68.868 -0.114 0.000 1.023 147 T HN 1.085 nan 8.240 nan 0.000 0.447 148 L N 2.293 123.446 121.223 -0.116 0.000 2.346 148 L HA 0.709 5.050 4.340 0.001 0.000 0.276 148 L C -0.911 175.891 176.870 -0.113 0.000 1.006 148 L CA -0.340 54.379 54.840 -0.202 0.000 0.817 148 L CB 1.793 43.593 42.059 -0.432 0.000 1.272 148 L HN 0.848 nan 8.230 nan 0.000 0.421 149 D N 4.259 124.614 120.400 -0.077 0.000 2.396 149 D HA 0.116 4.756 4.640 0.001 0.000 0.225 149 D C 1.159 177.429 176.300 -0.050 0.000 1.121 149 D CA 0.060 54.035 54.000 -0.042 0.000 0.853 149 D CB 0.637 41.435 40.800 -0.003 0.000 1.043 149 D HN 0.680 nan 8.370 nan 0.000 0.500 150 I N 2.600 123.144 120.570 -0.043 0.000 2.423 150 I HA -0.263 3.908 4.170 0.001 0.000 0.254 150 I C 1.559 177.765 176.117 0.148 0.000 1.151 150 I CA 0.836 62.134 61.300 -0.002 0.000 1.421 150 I CB 0.326 38.319 38.000 -0.012 0.000 1.079 150 I HN 0.282 nan 8.210 nan 0.000 0.431 151 S N -0.259 115.492 115.700 0.084 0.000 2.406 151 S HA -0.094 4.376 4.470 0.001 0.000 0.224 151 S C 1.924 176.607 174.600 0.138 0.000 1.030 151 S CA 1.308 59.560 58.200 0.086 0.000 0.958 151 S CB 0.010 63.222 63.200 0.020 0.000 0.811 151 S HN 0.659 nan 8.310 nan 0.000 0.489 152 S N 0.050 115.814 115.700 0.107 0.000 2.503 152 S HA 0.376 4.847 4.470 0.001 0.000 0.217 152 S C 1.664 176.329 174.600 0.109 0.000 0.999 152 S CA 0.708 58.972 58.200 0.106 0.000 0.914 152 S CB 0.029 63.267 63.200 0.063 0.000 0.782 152 S HN 0.685 nan 8.310 nan 0.000 0.520 153 G N 1.760 110.574 108.800 0.022 0.000 2.184 153 G HA2 -0.321 3.639 3.960 0.001 0.000 0.264 153 G HA3 -0.321 3.639 3.960 0.001 0.000 0.264 153 G C 0.229 175.110 174.900 -0.031 0.000 0.975 153 G CA 0.123 45.145 45.100 -0.131 0.000 0.642 153 G HN 0.564 nan 8.290 nan 0.000 0.536 154 R N 0.236 120.748 120.500 0.020 0.000 2.633 154 R HA 0.181 4.522 4.340 0.001 0.000 0.357 154 R C -0.491 175.867 176.300 0.096 0.000 0.923 154 R CA 0.014 56.150 56.100 0.060 0.000 1.046 154 R CB -0.406 29.930 30.300 0.061 0.000 0.924 154 R HN 0.116 nan 8.270 nan 0.000 0.413 155 F N 3.826 123.744 119.950 -0.053 0.000 2.443 155 F HA 0.491 5.018 4.527 0.001 0.000 0.335 155 F C -0.183 175.585 175.800 -0.053 0.000 1.104 155 F CA -1.063 56.903 58.000 -0.058 0.000 1.013 155 F CB 1.086 40.056 39.000 -0.051 0.000 1.136 155 F HN 0.329 nan 8.300 nan 0.000 0.470 156 R N 6.530 127.185 120.500 0.258 0.000 2.626 156 R HA 0.520 4.861 4.340 0.001 0.000 0.274 156 R C -1.268 175.031 176.300 -0.002 0.000 1.031 156 R CA -0.732 55.398 56.100 0.050 0.000 0.898 156 R CB 2.375 32.715 30.300 0.068 0.000 1.222 156 R HN 0.722 nan 8.270 nan 0.000 0.455 157 L N -1.133 120.063 121.223 -0.046 0.000 2.235 157 L HA 0.878 5.218 4.340 0.001 0.000 0.260 157 L C -0.392 176.518 176.870 0.067 0.000 1.025 157 L CA -0.601 54.237 54.840 -0.003 0.000 0.836 157 L CB 2.187 44.216 42.059 -0.050 0.000 1.395 157 L HN 0.819 nan 8.230 nan 0.000 0.443 158 S N -0.853 114.925 115.700 0.131 0.000 2.595 158 S HA 0.471 4.941 4.470 0.001 0.000 0.270 158 S C -1.212 173.502 174.600 0.191 0.000 1.145 158 S CA -0.776 57.515 58.200 0.153 0.000 0.825 158 S CB 1.852 65.158 63.200 0.177 0.000 1.107 158 S HN 0.811 nan 8.310 nan 0.000 0.461 159 E N 1.162 121.457 120.200 0.158 0.000 3.666 159 E HA 0.304 4.655 4.350 0.001 0.000 0.230 159 E C -2.845 173.850 176.600 0.158 0.000 1.235 159 E CA -1.547 54.958 56.400 0.176 0.000 1.096 159 E CB 1.128 30.911 29.700 0.139 0.000 1.287 159 E HN 0.418 nan 8.360 nan 0.000 0.406 160 P HA -0.025 nan 4.420 nan 0.000 0.265 160 P C 0.257 177.686 177.300 0.214 0.000 1.193 160 P CA 0.242 63.428 63.100 0.145 0.000 0.765 160 P CB 1.202 32.947 31.700 0.075 0.000 0.823 161 A N 3.624 126.529 122.820 0.142 0.000 1.844 161 A HA 0.021 4.341 4.320 0.001 0.000 0.212 161 A C 0.577 178.252 177.584 0.152 0.000 1.221 161 A CA 1.035 53.140 52.037 0.114 0.000 0.607 161 A CB -1.041 17.993 19.000 0.057 0.000 0.878 161 A HN 0.651 nan 8.150 nan 0.000 0.451 162 D N -1.221 119.257 120.400 0.129 0.000 2.383 162 D HA 0.310 4.951 4.640 0.001 0.000 0.248 162 D C 1.028 177.455 176.300 0.212 0.000 1.170 162 D CA -0.136 53.948 54.000 0.139 0.000 0.977 162 D CB 0.386 41.224 40.800 0.063 0.000 1.120 162 D HN 0.426 nan 8.370 nan 0.000 0.481 163 R N -0.132 120.488 120.500 0.201 0.000 2.148 163 R HA -0.046 4.294 4.340 0.001 0.000 0.223 163 R C 1.254 177.496 176.300 -0.096 0.000 1.088 163 R CA 0.911 57.043 56.100 0.053 0.000 0.985 163 R CB -0.368 29.994 30.300 0.103 0.000 0.880 163 R HN 0.407 nan 8.270 nan 0.000 0.451 164 E N 0.788 120.970 120.200 -0.030 0.000 2.150 164 E HA -0.109 4.242 4.350 0.001 0.000 0.193 164 E C 1.734 178.294 176.600 -0.066 0.000 0.985 164 E CA 2.034 58.410 56.400 -0.039 0.000 0.814 164 E CB 0.070 29.777 29.700 0.012 0.000 0.752 164 E HN 0.631 nan 8.360 nan 0.000 0.466 165 T N -1.570 112.949 114.554 -0.059 0.000 3.023 165 T HA -0.044 4.306 4.350 0.001 0.000 0.266 165 T C 1.750 176.362 174.700 -0.148 0.000 1.093 165 T CA 0.608 62.664 62.100 -0.074 0.000 1.129 165 T CB -0.030 68.821 68.868 -0.027 0.000 0.899 165 T HN -0.013 nan 8.240 nan 0.000 0.491 166 M N 2.482 121.937 119.600 -0.242 0.000 2.123 166 M HA 0.336 4.816 4.480 0.001 0.000 0.263 166 M C 2.522 178.597 176.300 -0.375 0.000 1.069 166 M CA 1.465 56.505 55.300 -0.433 0.000 1.133 166 M CB -0.973 31.084 32.600 -0.906 0.000 1.356 166 M HN 0.290 nan 8.290 nan 0.000 0.415 167 A N -0.025 122.626 122.820 -0.282 0.000 1.917 167 A HA -0.080 4.241 4.320 0.001 0.000 0.219 167 A C 2.377 179.865 177.584 -0.160 0.000 1.182 167 A CA 2.311 54.230 52.037 -0.197 0.000 0.633 167 A CB -1.545 17.376 19.000 -0.132 0.000 0.819 167 A HN 0.658 nan 8.150 nan 0.000 0.448 168 A N -0.702 122.035 122.820 -0.138 0.000 1.940 168 A HA -0.167 4.153 4.320 0.001 0.000 0.219 168 A C 1.966 179.484 177.584 -0.110 0.000 1.176 168 A CA 1.677 53.652 52.037 -0.103 0.000 0.631 168 A CB -0.397 18.550 19.000 -0.087 0.000 0.814 168 A HN 0.522 nan 8.150 nan 0.000 0.446 169 E N -0.306 119.796 120.200 -0.164 0.000 2.208 169 E HA -0.036 4.314 4.350 0.001 0.000 0.193 169 E C 1.979 178.470 176.600 -0.182 0.000 0.988 169 E CA 0.531 56.833 56.400 -0.163 0.000 0.828 169 E CB -0.195 29.360 29.700 -0.242 0.000 0.763 169 E HN 0.672 nan 8.360 nan 0.000 0.478 170 L N 0.377 121.450 121.223 -0.250 0.000 2.109 170 L HA -0.172 4.169 4.340 0.001 0.000 0.207 170 L C 2.652 179.473 176.870 -0.081 0.000 1.086 170 L CA 0.910 55.649 54.840 -0.169 0.000 0.760 170 L CB -0.155 41.789 42.059 -0.192 0.000 0.910 170 L HN 0.097 nan 8.230 nan 0.000 0.437 171 Q N 0.251 120.001 119.800 -0.083 0.000 2.083 171 Q HA -0.198 4.143 4.340 0.001 0.000 0.198 171 Q C 2.278 178.230 176.000 -0.079 0.000 0.969 171 Q CA 1.305 57.071 55.803 -0.061 0.000 0.838 171 Q CB 0.011 28.722 28.738 -0.044 0.000 0.900 171 Q HN 0.213 nan 8.270 nan 0.000 0.436 172 R N -0.643 119.810 120.500 -0.080 0.000 2.073 172 R HA -0.134 4.207 4.340 0.001 0.000 0.234 172 R C 2.012 178.224 176.300 -0.147 0.000 1.134 172 R CA 2.103 58.126 56.100 -0.128 0.000 0.952 172 R CB -0.321 29.954 30.300 -0.041 0.000 0.850 172 R HN 0.511 nan 8.270 nan 0.000 0.433 173 T N -2.462 112.070 114.554 -0.037 0.000 3.010 173 T HA -0.020 4.331 4.350 0.001 0.000 0.252 173 T C 0.714 175.417 174.700 0.006 0.000 1.047 173 T CA 0.480 62.592 62.100 0.019 0.000 1.140 173 T CB -0.174 68.785 68.868 0.153 0.000 0.885 173 T HN 0.426 nan 8.240 nan 0.000 0.464 174 N N 2.205 120.910 118.700 0.007 0.000 2.708 174 N HA -0.089 4.651 4.740 0.001 0.000 0.255 174 N C -2.608 172.907 175.510 0.008 0.000 1.046 174 N CA 0.432 53.476 53.050 -0.009 0.000 0.715 174 N CB -1.177 37.283 38.487 -0.045 0.000 0.895 174 N HN 0.397 nan 8.380 nan 0.000 0.545 175 P HA 0.114 nan 4.420 nan 0.000 0.268 175 P C 0.469 177.773 177.300 0.008 0.000 1.208 175 P CA 0.374 63.490 63.100 0.027 0.000 0.777 175 P CB 0.626 32.357 31.700 0.052 0.000 0.875 176 A N 1.676 124.496 122.820 -0.001 0.000 2.123 176 A HA 0.013 4.334 4.320 0.001 0.000 0.214 176 A C 0.874 178.457 177.584 -0.001 0.000 1.152 176 A CA 0.897 52.932 52.037 -0.003 0.000 0.728 176 A CB -0.347 18.649 19.000 -0.006 0.000 0.814 176 A HN 0.692 nan 8.150 nan 0.000 0.464 177 E N -0.677 119.520 120.200 -0.005 0.000 2.311 177 E HA 0.512 4.862 4.350 0.001 0.000 0.281 177 E C -2.043 174.536 176.600 -0.036 0.000 0.905 177 E CA -0.454 55.935 56.400 -0.017 0.000 0.778 177 E CB 1.373 31.066 29.700 -0.011 0.000 1.240 177 E HN 0.171 nan 8.360 nan 0.000 0.410 178 L N 6.637 127.844 121.223 -0.026 0.000 2.372 178 L HA 0.467 4.807 4.340 0.001 0.000 0.273 178 L C -1.282 175.607 176.870 0.031 0.000 0.989 178 L CA -0.755 54.089 54.840 0.007 0.000 0.841 178 L CB 0.864 42.936 42.059 0.021 0.000 1.225 178 L HN 0.590 nan 8.230 nan 0.000 0.414 179 L N 5.941 127.148 121.223 -0.026 0.000 2.281 179 L HA 0.357 4.697 4.340 0.001 0.000 0.285 179 L C -0.771 176.195 176.870 0.161 0.000 1.074 179 L CA -0.606 54.218 54.840 -0.028 0.000 0.817 179 L CB 0.539 42.497 42.059 -0.167 0.000 1.168 179 L HN 0.477 nan 8.230 nan 0.000 0.434 180 Y N 1.692 121.960 120.300 -0.053 0.000 2.512 180 Y HA 0.812 5.363 4.550 0.001 0.000 0.348 180 Y C -0.184 175.639 175.900 -0.129 0.000 0.990 180 Y CA -1.666 56.322 58.100 -0.186 0.000 1.033 180 Y CB 1.120 39.327 38.460 -0.421 0.000 1.259 180 Y HN 0.558 nan 8.280 nan 0.000 0.461 181 A N 2.851 125.509 122.820 -0.269 0.000 2.440 181 A HA 0.184 4.504 4.320 0.001 0.000 0.251 181 A C 1.111 178.651 177.584 -0.073 0.000 1.089 181 A CA -0.053 51.805 52.037 -0.299 0.000 0.779 181 A CB -0.025 18.779 19.000 -0.327 0.000 1.022 181 A HN 1.047 nan 8.150 nan 0.000 0.492 182 E N 1.097 121.244 120.200 -0.089 0.000 2.068 182 E HA -0.209 4.142 4.350 0.001 0.000 0.207 182 E C -0.102 176.561 176.600 0.105 0.000 1.032 182 E CA 1.739 58.128 56.400 -0.018 0.000 0.839 182 E CB 0.040 29.744 29.700 0.007 0.000 0.758 182 E HN 0.718 nan 8.360 nan 0.000 0.457 183 D N -0.154 120.312 120.400 0.109 0.000 3.168 183 D HA 0.054 4.694 4.640 0.001 0.000 0.255 183 D C -1.029 175.344 176.300 0.122 0.000 1.314 183 D CA -0.066 53.996 54.000 0.103 0.000 0.900 183 D CB -0.365 40.478 40.800 0.072 0.000 1.072 183 D HN -0.024 nan 8.370 nan 0.000 0.487 184 F N 0.915 120.877 119.950 0.020 0.000 2.411 184 F HA 0.402 4.929 4.527 0.001 0.000 0.350 184 F C 1.063 176.873 175.800 0.016 0.000 1.114 184 F CA -0.795 57.213 58.000 0.013 0.000 1.135 184 F CB 1.362 40.443 39.000 0.136 0.000 1.120 184 F HN 0.070 nan 8.300 nan 0.000 0.495 185 A N 4.333 126.860 122.820 -0.489 0.000 1.874 185 A HA 0.001 4.321 4.320 0.001 0.000 0.214 185 A C 1.106 178.456 177.584 -0.391 0.000 1.189 185 A CA 0.772 52.593 52.037 -0.361 0.000 0.615 185 A CB -0.379 18.429 19.000 -0.321 0.000 0.830 185 A HN 0.677 nan 8.150 nan 0.000 0.443 186 E N 0.864 120.662 120.200 -0.670 0.000 2.261 186 E HA 0.115 4.466 4.350 0.001 0.000 0.308 186 E C 0.498 177.009 176.600 -0.148 0.000 1.400 186 E CA -0.246 55.949 56.400 -0.342 0.000 1.542 186 E CB 0.164 29.750 29.700 -0.189 0.000 1.369 186 E HN 0.455 nan 8.360 nan 0.000 0.493 187 M N -0.018 119.562 119.600 -0.032 0.000 2.279 187 M HA -0.155 4.325 4.480 0.001 0.000 0.264 187 M C 2.248 178.572 176.300 0.040 0.000 1.062 187 M CA 0.914 56.273 55.300 0.099 0.000 1.099 187 M CB -0.954 31.690 32.600 0.074 0.000 1.394 187 M HN 0.211 nan 8.290 nan 0.000 0.426 188 S N 0.935 116.637 115.700 0.003 0.000 2.400 188 S HA -0.195 4.275 4.470 0.001 0.000 0.234 188 S C 1.914 176.506 174.600 -0.014 0.000 1.049 188 S CA 1.336 59.530 58.200 -0.010 0.000 1.039 188 S CB -0.221 62.967 63.200 -0.020 0.000 0.856 188 S HN 0.518 nan 8.310 nan 0.000 0.465 189 L N 0.717 121.939 121.223 -0.001 0.000 2.056 189 L HA 0.023 4.363 4.340 0.001 0.000 0.207 189 L C 2.172 179.016 176.870 -0.043 0.000 1.078 189 L CA 1.726 56.548 54.840 -0.030 0.000 0.749 189 L CB -0.422 41.621 42.059 -0.027 0.000 0.901 189 L HN 0.575 nan 8.230 nan 0.000 0.433 190 I N -5.039 115.513 120.570 -0.030 0.000 3.974 190 I HA 0.140 4.310 4.170 0.001 0.000 0.334 190 I C 1.686 177.723 176.117 -0.133 0.000 1.437 190 I CA 0.070 61.303 61.300 -0.111 0.000 1.113 190 I CB 0.120 37.992 38.000 -0.214 0.000 1.063 190 I HN 0.121 nan 8.210 nan 0.000 0.400 191 E N 2.230 122.383 120.200 -0.079 0.000 2.047 191 E HA -0.076 4.274 4.350 0.001 0.000 0.191 191 E C 2.130 178.697 176.600 -0.054 0.000 0.987 191 E CA 1.406 57.766 56.400 -0.067 0.000 0.799 191 E CB -0.056 29.625 29.700 -0.030 0.000 0.752 191 E HN 0.676 nan 8.360 nan 0.000 0.449 192 G N 0.414 109.189 108.800 -0.042 0.000 2.985 192 G HA2 -0.022 3.938 3.960 0.001 0.000 0.209 192 G HA3 -0.022 3.938 3.960 0.001 0.000 0.209 192 G C 0.509 175.392 174.900 -0.029 0.000 1.165 192 G CA -0.347 44.737 45.100 -0.027 0.000 0.776 192 G HN -0.015 nan 8.290 nan 0.000 0.541 193 R N 0.815 121.288 120.500 -0.045 0.000 2.594 193 R HA 0.224 4.564 4.340 0.001 0.000 0.272 193 R C 0.487 176.771 176.300 -0.027 0.000 1.074 193 R CA -0.469 55.607 56.100 -0.040 0.000 1.105 193 R CB 0.716 30.982 30.300 -0.057 0.000 1.008 193 R HN 0.227 nan 8.270 nan 0.000 0.472 194 R N 0.795 121.287 120.500 -0.013 0.000 2.459 194 R HA 0.234 4.574 4.340 0.001 0.000 0.281 194 R C 0.271 176.572 176.300 0.002 0.000 1.050 194 R CA 0.475 56.574 56.100 -0.001 0.000 1.055 194 R CB 0.855 31.157 30.300 0.003 0.000 1.045 194 R HN 0.789 nan 8.270 nan 0.000 0.495 195 G N 1.960 110.769 108.800 0.015 0.000 2.137 195 G HA2 -0.234 3.727 3.960 0.001 0.000 0.237 195 G HA3 -0.234 3.727 3.960 0.001 0.000 0.237 195 G C -0.013 174.902 174.900 0.026 0.000 1.002 195 G CA 0.221 45.332 45.100 0.019 0.000 0.702 195 G HN 0.506 nan 8.290 nan 0.000 0.515 196 L N 0.107 121.356 121.223 0.044 0.000 2.461 196 L HA 0.495 4.835 4.340 0.001 0.000 0.272 196 L C 0.745 177.722 176.870 0.179 0.000 1.197 196 L CA -0.125 54.783 54.840 0.114 0.000 0.836 196 L CB 0.480 42.586 42.059 0.078 0.000 1.105 196 L HN 0.085 nan 8.230 nan 0.000 0.477 197 R N 3.160 123.806 120.500 0.244 0.000 2.631 197 R HA 0.254 4.594 4.340 0.001 0.000 0.289 197 R C -0.801 175.358 176.300 -0.235 0.000 1.303 197 R CA -0.736 55.374 56.100 0.017 0.000 0.989 197 R CB 1.267 31.476 30.300 -0.151 0.000 1.208 197 R HN 0.555 nan 8.270 nan 0.000 0.461 198 R N 2.273 122.550 120.500 -0.372 0.000 2.489 198 R HA 0.140 4.480 4.340 0.001 0.000 0.287 198 R C -0.405 175.664 176.300 -0.384 0.000 1.053 198 R CA 0.233 55.890 56.100 -0.737 0.000 1.036 198 R CB 0.542 30.616 30.300 -0.377 0.000 0.966 198 R HN 0.274 nan 8.270 nan 0.000 0.432 199 R N 5.045 125.332 120.500 -0.354 0.000 2.686 199 R HA 0.411 4.752 4.340 0.001 0.000 0.283 199 R C -2.559 173.671 176.300 -0.116 0.000 0.978 199 R CA -2.795 53.204 56.100 -0.168 0.000 0.897 199 R CB 1.290 31.553 30.300 -0.062 0.000 1.192 199 R HN 0.577 nan 8.270 nan 0.000 0.457 200 P HA 0.001 nan 4.420 nan 0.000 0.266 200 P C 0.867 178.074 177.300 -0.155 0.000 1.193 200 P CA -0.060 62.921 63.100 -0.197 0.000 0.770 200 P CB 0.882 32.316 31.700 -0.444 0.000 0.836 201 L N 2.344 123.584 121.223 0.028 0.000 2.131 201 L HA -0.109 4.231 4.340 0.001 0.000 0.210 201 L C 2.233 179.203 176.870 0.167 0.000 1.092 201 L CA 1.126 56.052 54.840 0.143 0.000 0.759 201 L CB -0.548 41.627 42.059 0.193 0.000 0.903 201 L HN 0.578 nan 8.230 nan 0.000 0.435 202 W N -0.344 121.022 121.300 0.110 0.000 2.525 202 W HA -0.113 4.548 4.660 0.001 0.000 0.259 202 W C 1.333 177.855 176.519 0.004 0.000 1.253 202 W CA 0.260 57.635 57.345 0.050 0.000 1.262 202 W CB -0.854 28.621 29.460 0.025 0.000 1.122 202 W HN 0.240 nan 8.180 nan 0.000 0.607 203 E N 0.240 120.124 120.200 -0.526 0.000 2.409 203 E HA -0.095 4.255 4.350 0.001 0.000 0.198 203 E C 0.467 176.704 176.600 -0.606 0.000 1.024 203 E CA 0.768 56.786 56.400 -0.636 0.000 0.861 203 E CB -0.379 28.825 29.700 -0.827 0.000 0.788 203 E HN 0.300 nan 8.360 nan 0.000 0.521 204 F N 0.660 120.383 119.950 -0.378 0.000 2.684 204 F HA 0.156 4.684 4.527 0.001 0.000 0.298 204 F C 0.830 176.348 175.800 -0.469 0.000 1.120 204 F CA -0.352 57.307 58.000 -0.567 0.000 1.332 204 F CB 0.582 38.966 39.000 -1.026 0.000 0.986 204 F HN -0.224 nan 8.300 nan 0.000 0.524 205 E N 1.456 121.595 120.200 -0.101 0.000 2.324 205 E HA 0.012 4.363 4.350 0.001 0.000 0.271 205 E C 1.255 177.821 176.600 -0.057 0.000 1.028 205 E CA 0.050 56.432 56.400 -0.030 0.000 0.890 205 E CB 1.020 30.756 29.700 0.059 0.000 1.004 205 E HN 0.321 nan 8.360 nan 0.000 0.431 206 I N 4.575 125.127 120.570 -0.029 0.000 2.264 206 I HA -0.281 3.890 4.170 0.001 0.000 0.248 206 I C 1.282 177.393 176.117 -0.010 0.000 1.111 206 I CA 1.592 62.881 61.300 -0.018 0.000 1.382 206 I CB 0.140 38.155 38.000 0.025 0.000 1.060 206 I HN 0.464 nan 8.210 nan 0.000 0.418 207 D N -0.560 119.843 120.400 0.005 0.000 2.149 207 D HA -0.110 4.530 4.640 0.001 0.000 0.201 207 D C 2.176 178.474 176.300 -0.004 0.000 0.972 207 D CA 1.618 55.621 54.000 0.006 0.000 0.835 207 D CB -0.352 40.457 40.800 0.015 0.000 0.966 207 D HN 0.330 nan 8.370 nan 0.000 0.476 208 T N 1.042 115.594 114.554 -0.002 0.000 2.746 208 T HA -0.123 4.228 4.350 0.001 0.000 0.267 208 T C 2.042 176.716 174.700 -0.043 0.000 1.039 208 T CA 1.441 63.536 62.100 -0.009 0.000 1.142 208 T CB -0.196 68.685 68.868 0.021 0.000 0.866 208 T HN 0.182 nan 8.240 nan 0.000 0.444 209 A N 1.920 124.702 122.820 -0.063 0.000 1.858 209 A HA -0.118 4.203 4.320 0.001 0.000 0.216 209 A C 2.388 179.930 177.584 -0.070 0.000 1.190 209 A CA 1.462 53.446 52.037 -0.089 0.000 0.617 209 A CB -0.562 18.375 19.000 -0.105 0.000 0.827 209 A HN 0.392 nan 8.150 nan 0.000 0.443 210 R N -0.867 119.609 120.500 -0.041 0.000 2.105 210 R HA -0.164 4.177 4.340 0.001 0.000 0.239 210 R C 2.533 178.815 176.300 -0.030 0.000 1.135 210 R CA 1.538 57.625 56.100 -0.021 0.000 0.967 210 R CB -0.262 30.039 30.300 0.002 0.000 0.861 210 R HN 0.748 nan 8.270 nan 0.000 0.442 211 Q N 0.424 120.205 119.800 -0.033 0.000 2.187 211 Q HA -0.164 4.177 4.340 0.001 0.000 0.199 211 Q C 1.745 177.707 176.000 -0.063 0.000 0.957 211 Q CA 1.247 57.030 55.803 -0.032 0.000 0.857 211 Q CB 0.307 29.033 28.738 -0.020 0.000 0.929 211 Q HN 0.219 nan 8.270 nan 0.000 0.453 212 Q N 0.497 120.246 119.800 -0.085 0.000 2.020 212 Q HA -0.030 4.310 4.340 0.001 0.000 0.198 212 Q C 2.188 178.064 176.000 -0.208 0.000 0.974 212 Q CA 1.344 57.073 55.803 -0.123 0.000 0.829 212 Q CB -0.170 28.497 28.738 -0.118 0.000 0.894 212 Q HN 0.382 nan 8.270 nan 0.000 0.433 213 L N 0.478 121.563 121.223 -0.230 0.000 2.042 213 L HA -0.241 4.100 4.340 0.001 0.000 0.210 213 L C 2.056 178.647 176.870 -0.466 0.000 1.076 213 L CA 1.110 55.694 54.840 -0.428 0.000 0.749 213 L CB -0.568 41.356 42.059 -0.224 0.000 0.893 213 L HN 0.322 nan 8.230 nan 0.000 0.432 214 N N 0.024 118.640 118.700 -0.139 0.000 2.120 214 N HA -0.189 4.551 4.740 0.001 0.000 0.188 214 N C 1.865 177.352 175.510 -0.037 0.000 1.024 214 N CA 1.204 54.256 53.050 0.003 0.000 0.852 214 N CB -0.302 38.212 38.487 0.046 0.000 1.003 214 N HN 0.158 nan 8.380 nan 0.000 0.424 215 L N 1.924 123.094 121.223 -0.088 0.000 2.042 215 L HA -0.217 4.123 4.340 0.001 0.000 0.210 215 L C 2.510 179.304 176.870 -0.126 0.000 1.076 215 L CA 1.722 56.514 54.840 -0.080 0.000 0.749 215 L CB -0.732 41.280 42.059 -0.078 0.000 0.893 215 L HN 0.129 nan 8.230 nan 0.000 0.432 216 Q N -0.899 118.727 119.800 -0.290 0.000 2.084 216 Q HA -0.190 4.151 4.340 0.001 0.000 0.202 216 Q C 1.498 177.384 176.000 -0.190 0.000 0.978 216 Q CA 2.046 57.638 55.803 -0.351 0.000 0.844 216 Q CB -0.289 28.071 28.738 -0.631 0.000 0.898 216 Q HN 0.509 nan 8.270 nan 0.000 0.426 217 F N -0.921 119.032 119.950 0.006 0.000 2.727 217 F HA 0.441 4.968 4.527 0.001 0.000 0.302 217 F C 1.544 177.409 175.800 0.108 0.000 1.097 217 F CA 0.037 58.066 58.000 0.048 0.000 1.330 217 F CB 0.063 39.069 39.000 0.010 0.000 1.084 217 F HN 0.214 nan 8.300 nan 0.000 0.578 218 G N 1.041 109.960 108.800 0.198 0.000 2.155 218 G HA2 -0.291 3.670 3.960 0.001 0.000 0.257 218 G HA3 -0.291 3.670 3.960 0.001 0.000 0.257 218 G C 0.393 175.388 174.900 0.158 0.000 0.983 218 G CA 0.617 45.807 45.100 0.150 0.000 0.676 218 G HN 0.566 nan 8.290 nan 0.000 0.528 219 T N -3.026 111.654 114.554 0.211 0.000 2.945 219 T HA 0.683 5.033 4.350 0.001 0.000 0.286 219 T C 1.431 176.208 174.700 0.127 0.000 1.025 219 T CA 0.043 62.254 62.100 0.185 0.000 1.039 219 T CB 1.678 70.721 68.868 0.290 0.000 1.068 219 T HN 0.557 nan 8.240 nan 0.000 0.497 220 R N 1.043 121.597 120.500 0.090 0.000 2.100 220 R HA 0.214 4.555 4.340 0.001 0.000 0.220 220 R C -0.043 176.302 176.300 0.075 0.000 1.091 220 R CA 0.758 56.897 56.100 0.066 0.000 0.986 220 R CB -0.570 29.756 30.300 0.044 0.000 0.888 220 R HN 0.820 nan 8.270 nan 0.000 0.444 221 D N -0.859 119.595 120.400 0.090 0.000 2.559 221 D HA 0.249 4.889 4.640 0.001 0.000 0.250 221 D C -0.273 176.119 176.300 0.153 0.000 1.135 221 D CA -0.932 53.126 54.000 0.097 0.000 0.955 221 D CB 1.231 42.066 40.800 0.059 0.000 1.442 221 D HN -0.016 nan 8.370 nan 0.000 0.471 222 L N 1.388 122.712 121.223 0.169 0.000 2.912 222 L HA 0.236 4.576 4.340 0.001 0.000 0.240 222 L C 0.873 177.851 176.870 0.181 0.000 1.262 222 L CA -0.305 54.709 54.840 0.290 0.000 1.058 222 L CB 0.353 42.562 42.059 0.249 0.000 1.383 222 L HN 0.400 nan 8.230 nan 0.000 0.512 223 V N 0.255 120.206 119.914 0.061 0.000 2.591 223 V HA -0.081 4.039 4.120 0.001 0.000 0.249 223 V C 2.445 178.489 176.094 -0.083 0.000 1.053 223 V CA 1.905 64.204 62.300 -0.000 0.000 1.068 223 V CB -0.349 31.468 31.823 -0.011 0.000 0.689 223 V HN 0.648 nan 8.190 nan 0.000 0.462 224 G N -0.921 107.745 108.800 -0.223 0.000 2.559 224 G HA2 -0.177 3.783 3.960 0.001 0.000 0.216 224 G HA3 -0.177 3.783 3.960 0.001 0.000 0.216 224 G C 1.153 175.721 174.900 -0.554 0.000 1.126 224 G CA 0.417 45.264 45.100 -0.422 0.000 0.778 224 G HN 0.527 nan 8.290 nan 0.000 0.543 225 F N -0.150 119.755 119.950 -0.074 0.000 2.721 225 F HA 0.344 4.871 4.527 0.001 0.000 0.301 225 F C 1.948 177.700 175.800 -0.081 0.000 1.096 225 F CA -0.137 57.796 58.000 -0.111 0.000 1.308 225 F CB 0.333 39.234 39.000 -0.166 0.000 1.086 225 F HN 0.186 nan 8.300 nan 0.000 0.587 226 G N 0.896 109.740 108.800 0.073 0.000 2.147 226 G HA2 -0.227 3.734 3.960 0.001 0.000 0.244 226 G HA3 -0.227 3.734 3.960 0.001 0.000 0.244 226 G C 0.612 175.540 174.900 0.046 0.000 1.005 226 G CA 0.517 45.639 45.100 0.036 0.000 0.713 226 G HN 0.735 nan 8.290 nan 0.000 0.515 227 V N -3.248 116.707 119.914 0.069 0.000 3.337 227 V HA 0.597 4.718 4.120 0.001 0.000 0.307 227 V C 1.500 177.626 176.094 0.053 0.000 1.505 227 V CA 1.286 63.616 62.300 0.049 0.000 1.072 227 V CB 0.829 32.664 31.823 0.022 0.000 0.929 227 V HN 0.228 nan 8.190 nan 0.000 0.455 228 E N 3.656 123.892 120.200 0.059 0.000 2.110 228 E HA -0.188 4.162 4.350 0.001 0.000 0.193 228 E C 1.406 178.032 176.600 0.044 0.000 0.988 228 E CA 1.905 58.337 56.400 0.055 0.000 0.804 228 E CB -0.123 29.607 29.700 0.051 0.000 0.745 228 E HN 0.923 nan 8.360 nan 0.000 0.458 229 N N 0.005 118.729 118.700 0.039 0.000 2.758 229 N HA 0.169 4.909 4.740 0.001 0.000 0.293 229 N C -0.922 174.615 175.510 0.046 0.000 1.273 229 N CA 0.374 53.448 53.050 0.039 0.000 1.022 229 N CB 0.870 39.376 38.487 0.032 0.000 1.334 229 N HN 0.110 nan 8.380 nan 0.000 0.519 230 A N 0.646 123.496 122.820 0.051 0.000 3.129 230 A HA 0.379 4.700 4.320 0.001 0.000 0.282 230 A C -1.562 176.070 177.584 0.080 0.000 0.948 230 A CA -0.904 51.170 52.037 0.063 0.000 1.027 230 A CB 0.834 19.866 19.000 0.052 0.000 1.123 230 A HN 0.176 nan 8.150 nan 0.000 0.485 231 P HA -0.219 nan 4.420 nan 0.000 0.215 231 P C 1.552 178.951 177.300 0.165 0.000 1.153 231 P CA 1.006 64.168 63.100 0.104 0.000 0.853 231 P CB 0.230 31.993 31.700 0.105 0.000 0.788 232 R N -0.003 120.633 120.500 0.227 0.000 2.112 232 R HA -0.128 4.213 4.340 0.001 0.000 0.242 232 R C 2.693 179.210 176.300 0.361 0.000 1.137 232 R CA 2.393 58.721 56.100 0.379 0.000 0.944 232 R CB -1.400 29.066 30.300 0.277 0.000 0.857 232 R HN 0.218 nan 8.270 nan 0.000 0.435 233 G N -0.054 108.884 108.800 0.230 0.000 2.408 233 G HA2 -0.220 3.740 3.960 0.001 0.000 0.217 233 G HA3 -0.220 3.740 3.960 0.001 0.000 0.217 233 G C 1.405 176.361 174.900 0.093 0.000 1.150 233 G CA 0.592 45.799 45.100 0.178 0.000 0.776 233 G HN 0.236 nan 8.290 nan 0.000 0.542 234 L N 0.050 121.306 121.223 0.055 0.000 2.083 234 L HA -0.137 4.203 4.340 0.001 0.000 0.209 234 L C 3.030 179.869 176.870 -0.051 0.000 1.083 234 L CA 0.805 55.639 54.840 -0.011 0.000 0.752 234 L CB -0.403 41.655 42.059 -0.002 0.000 0.899 234 L HN 0.262 nan 8.230 nan 0.000 0.433 235 C N -0.668 118.597 119.300 -0.059 0.000 2.429 235 C HA -0.164 4.296 4.460 0.001 0.000 0.277 235 C C 3.116 177.983 174.990 -0.205 0.000 1.262 235 C CA 0.684 59.575 59.018 -0.212 0.000 1.733 235 C CB -1.069 26.397 27.740 -0.457 0.000 2.010 235 C HN 0.636 nan 8.230 nan 0.000 0.483 236 A N 0.530 123.351 122.820 0.000 0.000 1.877 236 A HA 0.020 4.341 4.320 0.001 0.000 0.216 236 A C 2.339 179.901 177.584 -0.036 0.000 1.186 236 A CA 2.144 54.243 52.037 0.103 0.000 0.620 236 A CB -0.951 18.207 19.000 0.262 0.000 0.822 236 A HN 0.598 nan 8.150 nan 0.000 0.443 237 A N -0.845 121.967 122.820 -0.013 0.000 2.121 237 A HA 0.221 4.541 4.320 0.001 0.000 0.218 237 A C 2.207 179.811 177.584 0.034 0.000 1.154 237 A CA 1.625 53.696 52.037 0.055 0.000 0.679 237 A CB -0.958 17.971 19.000 -0.119 0.000 0.795 237 A HN 0.686 nan 8.150 nan 0.000 0.458 238 G N -1.370 107.359 108.800 -0.117 0.000 2.453 238 G HA2 -0.154 3.806 3.960 0.001 0.000 0.215 238 G HA3 -0.154 3.806 3.960 0.001 0.000 0.215 238 G C 1.651 176.397 174.900 -0.257 0.000 1.147 238 G CA 1.025 46.028 45.100 -0.163 0.000 0.802 238 G HN 0.549 nan 8.290 nan 0.000 0.535 239 C N 0.121 119.159 119.300 -0.436 0.000 2.473 239 C HA 0.139 4.599 4.460 0.001 0.000 0.279 239 C C 2.710 177.521 174.990 -0.298 0.000 1.250 239 C CA 0.978 59.645 59.018 -0.584 0.000 1.713 239 C CB -1.099 25.937 27.740 -1.174 0.000 2.066 239 C HN 0.414 nan 8.230 nan 0.000 0.474 240 L N 0.531 121.634 121.223 -0.200 0.000 2.021 240 L HA -0.187 4.154 4.340 0.001 0.000 0.215 240 L C 2.445 179.261 176.870 -0.090 0.000 1.074 240 L CA 2.278 57.054 54.840 -0.107 0.000 0.760 240 L CB -0.545 41.488 42.059 -0.044 0.000 0.889 240 L HN 0.514 nan 8.230 nan 0.000 0.433 241 L N -0.655 120.519 121.223 -0.082 0.000 2.056 241 L HA -0.227 4.113 4.340 0.001 0.000 0.207 241 L C 2.487 179.291 176.870 -0.109 0.000 1.078 241 L CA 1.672 56.440 54.840 -0.119 0.000 0.749 241 L CB -0.750 41.281 42.059 -0.046 0.000 0.901 241 L HN 0.340 nan 8.230 nan 0.000 0.433 242 Q N -1.514 118.222 119.800 -0.107 0.000 2.096 242 Q HA -0.315 4.026 4.340 0.001 0.000 0.208 242 Q C 2.244 178.209 176.000 -0.059 0.000 0.993 242 Q CA 2.634 58.379 55.803 -0.096 0.000 0.862 242 Q CB -0.457 28.200 28.738 -0.134 0.000 0.915 242 Q HN 0.649 nan 8.270 nan 0.000 0.416 243 Y N 0.165 120.363 120.300 -0.170 0.000 2.163 243 Y HA -0.208 4.342 4.550 0.001 0.000 0.288 243 Y C 2.151 177.979 175.900 -0.121 0.000 1.136 243 Y CA 1.405 59.421 58.100 -0.139 0.000 1.147 243 Y CB -0.543 37.830 38.460 -0.145 0.000 0.987 243 Y HN 0.151 nan 8.280 nan 0.000 0.509 244 A N 0.828 123.627 122.820 -0.036 0.000 1.903 244 A HA -0.286 4.034 4.320 0.001 0.000 0.219 244 A C 2.259 179.742 177.584 -0.168 0.000 1.191 244 A CA 2.423 54.387 52.037 -0.122 0.000 0.638 244 A CB -0.670 18.243 19.000 -0.145 0.000 0.823 244 A HN 0.499 nan 8.150 nan 0.000 0.451 245 K N -1.044 119.268 120.400 -0.145 0.000 2.097 245 K HA -0.155 4.165 4.320 0.001 0.000 0.205 245 K C 1.766 178.284 176.600 -0.135 0.000 1.050 245 K CA 1.473 57.685 56.287 -0.125 0.000 0.938 245 K CB -0.279 32.158 32.500 -0.105 0.000 0.718 245 K HN 0.604 nan 8.250 nan 0.000 0.442 246 D N 0.540 120.837 120.400 -0.171 0.000 2.149 246 D HA -0.116 4.525 4.640 0.001 0.000 0.201 246 D C 1.787 177.952 176.300 -0.225 0.000 0.972 246 D CA 1.689 55.583 54.000 -0.176 0.000 0.835 246 D CB 0.119 40.811 40.800 -0.180 0.000 0.966 246 D HN 0.234 nan 8.370 nan 0.000 0.476 247 T N -2.650 111.705 114.554 -0.331 0.000 2.951 247 T HA -0.071 4.279 4.350 0.001 0.000 0.268 247 T C 1.729 176.317 174.700 -0.187 0.000 1.073 247 T CA 0.652 62.566 62.100 -0.310 0.000 1.134 247 T CB -0.038 68.590 68.868 -0.400 0.000 0.884 247 T HN -0.001 nan 8.240 nan 0.000 0.479 248 Q N 0.371 120.079 119.800 -0.154 0.000 2.226 248 Q HA 0.232 4.573 4.340 0.001 0.000 0.199 248 Q C 0.607 176.553 176.000 -0.090 0.000 0.945 248 Q CA 0.327 56.064 55.803 -0.110 0.000 0.861 248 Q CB 0.000 28.684 28.738 -0.091 0.000 0.953 248 Q HN 0.375 nan 8.270 nan 0.000 0.490 249 R N 1.113 121.560 120.500 -0.088 0.000 3.333 249 R HA -0.122 4.218 4.340 0.001 0.000 0.256 249 R C -0.169 176.096 176.300 -0.059 0.000 1.010 249 R CA 1.162 57.222 56.100 -0.067 0.000 0.680 249 R CB -3.097 27.169 30.300 -0.056 0.000 1.102 249 R HN 0.551 nan 8.270 nan 0.000 0.440 250 T N -5.957 108.560 114.554 -0.062 0.000 2.812 250 T HA 0.492 4.842 4.350 0.001 0.000 0.294 250 T C 0.189 174.860 174.700 -0.047 0.000 1.159 250 T CA -0.563 61.505 62.100 -0.055 0.000 1.008 250 T CB 2.175 71.005 68.868 -0.063 0.000 1.289 250 T HN -0.027 nan 8.240 nan 0.000 0.514 251 T N 1.598 116.128 114.554 -0.039 0.000 2.900 251 T HA 0.420 4.770 4.350 0.001 0.000 0.307 251 T C 0.030 174.730 174.700 -0.001 0.000 1.065 251 T CA -0.224 61.861 62.100 -0.025 0.000 1.105 251 T CB -0.182 68.674 68.868 -0.020 0.000 0.979 251 T HN 0.480 nan 8.240 nan 0.000 0.544 252 L N 4.500 125.737 121.223 0.024 0.000 2.637 252 L HA 0.267 4.607 4.340 0.001 0.000 0.241 252 L C -1.532 175.430 176.870 0.154 0.000 1.398 252 L CA -1.634 53.278 54.840 0.121 0.000 0.895 252 L CB 1.136 43.205 42.059 0.016 0.000 1.183 252 L HN 0.440 nan 8.230 nan 0.000 0.497 253 P HA -0.174 nan 4.420 nan 0.000 0.228 253 P C 1.060 178.460 177.300 0.167 0.000 1.151 253 P CA 1.249 64.422 63.100 0.122 0.000 0.770 253 P CB -0.089 31.655 31.700 0.073 0.000 0.786 254 H N -0.796 118.283 119.070 0.016 0.000 2.548 254 H HA 0.168 4.724 4.556 0.001 0.000 0.268 254 H C 0.620 175.979 175.328 0.052 0.000 0.975 254 H CA -0.204 55.861 56.048 0.027 0.000 1.195 254 H CB -0.917 28.845 29.762 -0.001 0.000 1.397 254 H HN 0.144 nan 8.280 nan 0.000 0.572 255 I N 3.700 124.109 120.570 -0.269 0.000 2.268 255 I HA 0.164 4.334 4.170 0.001 0.000 0.290 255 I C 1.037 177.273 176.117 0.199 0.000 1.125 255 I CA -0.184 61.047 61.300 -0.115 0.000 1.236 255 I CB 0.414 38.284 38.000 -0.216 0.000 1.469 255 I HN 0.213 nan 8.210 nan 0.000 0.512 256 R N 2.989 123.577 120.500 0.148 0.000 2.577 256 R HA 0.413 4.753 4.340 0.001 0.000 0.344 256 R C -0.085 176.051 176.300 -0.274 0.000 1.037 256 R CA -0.245 55.962 56.100 0.180 0.000 1.102 256 R CB 0.758 31.147 30.300 0.149 0.000 1.313 256 R HN 0.415 nan 8.270 nan 0.000 0.561 257 S N 0.232 115.518 115.700 -0.689 0.000 2.567 257 S HA 0.554 5.025 4.470 0.001 0.000 0.270 257 S C -1.771 172.274 174.600 -0.924 0.000 1.152 257 S CA -0.773 56.824 58.200 -1.005 0.000 0.835 257 S CB 1.798 64.899 63.200 -0.164 0.000 1.115 257 S HN 0.316 nan 8.310 nan 0.000 0.459 258 I N 1.925 121.910 120.570 -0.976 0.000 2.802 258 I HA 0.675 4.846 4.170 0.001 0.000 0.298 258 I C -1.382 174.598 176.117 -0.228 0.000 1.176 258 I CA -0.207 60.773 61.300 -0.533 0.000 1.025 258 I CB 2.400 39.955 38.000 -0.742 0.000 1.243 258 I HN 0.739 nan 8.210 nan 0.000 0.424 259 T N 6.468 120.944 114.554 -0.131 0.000 2.912 259 T HA 0.406 4.756 4.350 0.001 0.000 0.299 259 T C -0.672 174.007 174.700 -0.034 0.000 1.052 259 T CA -0.456 61.622 62.100 -0.037 0.000 0.996 259 T CB 1.756 70.623 68.868 -0.001 0.000 1.070 259 T HN 0.589 nan 8.240 nan 0.000 0.465 260 M N 2.639 122.233 119.600 -0.009 0.000 2.185 260 M HA 0.320 4.800 4.480 0.001 0.000 0.357 260 M C -0.371 175.938 176.300 0.015 0.000 1.260 260 M CA 0.152 55.455 55.300 0.005 0.000 1.124 260 M CB 0.428 33.036 32.600 0.013 0.000 1.600 260 M HN 0.479 nan 8.290 nan 0.000 0.467 261 E N 4.786 125.004 120.200 0.030 0.000 2.134 261 E HA 0.371 4.722 4.350 0.001 0.000 0.278 261 E C -0.988 175.630 176.600 0.029 0.000 0.959 261 E CA -0.488 55.931 56.400 0.031 0.000 0.783 261 E CB 1.281 31.012 29.700 0.050 0.000 1.095 261 E HN 0.624 nan 8.360 nan 0.000 0.399 262 R N 1.742 122.249 120.500 0.012 0.000 2.604 262 R HA 0.131 4.471 4.340 0.001 0.000 0.287 262 R C 1.004 177.302 176.300 -0.004 0.000 0.970 262 R CA -0.485 55.620 56.100 0.007 0.000 0.946 262 R CB 1.314 31.612 30.300 -0.003 0.000 1.127 262 R HN 0.611 nan 8.270 nan 0.000 0.473 263 E N 1.654 121.853 120.200 -0.001 0.000 2.058 263 E HA -0.280 4.070 4.350 0.001 0.000 0.194 263 E C 1.466 178.045 176.600 -0.036 0.000 0.997 263 E CA 1.538 57.931 56.400 -0.013 0.000 0.801 263 E CB 0.270 29.968 29.700 -0.003 0.000 0.746 263 E HN 0.557 nan 8.360 nan 0.000 0.450 264 Q N 0.119 119.894 119.800 -0.041 0.000 2.436 264 Q HA -0.137 4.203 4.340 0.001 0.000 0.209 264 Q C 0.515 176.468 176.000 -0.078 0.000 0.965 264 Q CA 1.037 56.800 55.803 -0.066 0.000 0.910 264 Q CB 0.153 28.852 28.738 -0.066 0.000 0.980 264 Q HN 0.206 nan 8.270 nan 0.000 0.491 265 D N 0.738 121.101 120.400 -0.061 0.000 2.363 265 D HA 0.100 4.740 4.640 0.001 0.000 0.220 265 D C -0.136 176.119 176.300 -0.074 0.000 0.994 265 D CA 0.361 54.322 54.000 -0.065 0.000 0.890 265 D CB 0.460 41.232 40.800 -0.047 0.000 0.906 265 D HN 0.056 nan 8.370 nan 0.000 0.530 266 S N -0.695 114.958 115.700 -0.078 0.000 2.569 266 S HA 0.505 4.975 4.470 0.001 0.000 0.280 266 S C -0.399 174.135 174.600 -0.111 0.000 1.111 266 S CA -0.723 57.430 58.200 -0.077 0.000 0.887 266 S CB 1.756 64.929 63.200 -0.045 0.000 1.095 266 S HN -0.068 nan 8.310 nan 0.000 0.476 267 I N 2.970 123.465 120.570 -0.125 0.000 2.396 267 I HA 0.253 4.424 4.170 0.001 0.000 0.289 267 I C -0.542 175.503 176.117 -0.121 0.000 1.056 267 I CA -0.207 61.001 61.300 -0.154 0.000 1.365 267 I CB 0.467 38.359 38.000 -0.179 0.000 1.407 267 I HN 0.453 nan 8.210 nan 0.000 0.509 268 I N 7.559 128.044 120.570 -0.141 0.000 2.474 268 I HA 0.249 4.420 4.170 0.001 0.000 0.287 268 I C 0.098 176.086 176.117 -0.215 0.000 1.048 268 I CA 0.363 61.576 61.300 -0.145 0.000 1.383 268 I CB 0.635 38.554 38.000 -0.135 0.000 1.412 268 I HN 0.443 nan 8.210 nan 0.000 0.531 269 M N 5.902 125.401 119.600 -0.169 0.000 2.165 269 M HA 0.278 4.758 4.480 0.001 0.000 0.283 269 M C -1.017 175.201 176.300 -0.137 0.000 0.978 269 M CA -0.861 54.328 55.300 -0.184 0.000 0.948 269 M CB 1.650 34.190 32.600 -0.100 0.000 1.599 269 M HN 0.571 nan 8.290 nan 0.000 0.450 270 D N 2.252 122.552 120.400 -0.167 0.000 2.362 270 D HA 0.127 4.767 4.640 0.001 0.000 0.238 270 D C 0.912 177.186 176.300 -0.044 0.000 1.212 270 D CA -0.091 53.859 54.000 -0.084 0.000 0.902 270 D CB 1.074 41.851 40.800 -0.038 0.000 1.180 270 D HN 0.681 nan 8.370 nan 0.000 0.445 271 A N 1.494 124.297 122.820 -0.029 0.000 1.892 271 A HA -0.167 4.153 4.320 0.001 0.000 0.218 271 A C 2.310 179.894 177.584 0.000 0.000 1.188 271 A CA 2.902 54.931 52.037 -0.014 0.000 0.631 271 A CB -1.220 17.768 19.000 -0.021 0.000 0.822 271 A HN 0.760 nan 8.150 nan 0.000 0.447 272 A N -1.586 121.236 122.820 0.004 0.000 1.948 272 A HA -0.126 4.194 4.320 0.001 0.000 0.220 272 A C 2.312 179.905 177.584 0.015 0.000 1.177 272 A CA 2.476 54.521 52.037 0.014 0.000 0.636 272 A CB -1.172 17.842 19.000 0.024 0.000 0.815 272 A HN 0.467 nan 8.150 nan 0.000 0.449 273 T N -1.321 113.235 114.554 0.004 0.000 2.732 273 T HA -0.075 4.276 4.350 0.001 0.000 0.261 273 T C 2.069 176.768 174.700 -0.003 0.000 1.040 273 T CA 1.240 63.336 62.100 -0.006 0.000 1.145 273 T CB -0.199 68.639 68.868 -0.050 0.000 0.866 273 T HN 0.523 nan 8.240 nan 0.000 0.427 274 R N 0.671 121.172 120.500 0.002 0.000 2.140 274 R HA -0.139 4.201 4.340 0.001 0.000 0.250 274 R C 2.614 178.941 176.300 0.044 0.000 1.150 274 R CA 1.693 57.815 56.100 0.036 0.000 0.966 274 R CB -0.112 30.231 30.300 0.072 0.000 0.869 274 R HN 0.215 nan 8.270 nan 0.000 0.445 275 R N -0.142 120.379 120.500 0.036 0.000 2.062 275 R HA -0.049 4.292 4.340 0.001 0.000 0.229 275 R C 1.426 177.745 176.300 0.031 0.000 1.128 275 R CA 1.566 57.689 56.100 0.037 0.000 0.960 275 R CB -0.071 30.245 30.300 0.027 0.000 0.855 275 R HN 0.251 nan 8.270 nan 0.000 0.432 276 N N 0.575 119.290 118.700 0.024 0.000 2.573 276 N HA -0.090 4.650 4.740 0.001 0.000 0.187 276 N C 1.184 176.712 175.510 0.030 0.000 1.107 276 N CA 0.747 53.812 53.050 0.026 0.000 0.918 276 N CB 0.110 38.610 38.487 0.022 0.000 0.966 276 N HN 0.317 nan 8.380 nan 0.000 0.448 277 L N 0.246 121.480 121.223 0.019 0.000 2.616 277 L HA 0.157 4.498 4.340 0.001 0.000 0.229 277 L C -0.152 176.730 176.870 0.019 0.000 1.110 277 L CA 0.079 54.923 54.840 0.008 0.000 0.884 277 L CB -0.042 42.002 42.059 -0.025 0.000 1.115 277 L HN 0.080 nan 8.230 nan 0.000 0.481 278 E N 0.461 120.678 120.200 0.028 0.000 2.230 278 E HA -0.257 4.093 4.350 0.001 0.000 0.206 278 E C 0.964 177.573 176.600 0.015 0.000 1.309 278 E CA 0.126 56.547 56.400 0.036 0.000 0.697 278 E CB -1.372 28.360 29.700 0.054 0.000 1.146 278 E HN 0.542 nan 8.360 nan 0.000 0.363 279 I N -0.321 120.235 120.570 -0.024 0.000 2.162 279 I HA -0.208 3.962 4.170 0.001 0.000 0.238 279 I C 2.477 178.559 176.117 -0.057 0.000 1.076 279 I CA 2.095 63.329 61.300 -0.109 0.000 1.353 279 I CB -0.340 37.453 38.000 -0.345 0.000 1.063 279 I HN 0.334 nan 8.210 nan 0.000 0.408 280 T N -3.458 111.115 114.554 0.031 0.000 2.978 280 T HA 0.111 4.461 4.350 0.001 0.000 0.248 280 T C 0.731 175.482 174.700 0.086 0.000 1.018 280 T CA -0.215 61.950 62.100 0.108 0.000 1.026 280 T CB 0.437 69.471 68.868 0.277 0.000 1.032 280 T HN 0.166 nan 8.240 nan 0.000 0.485 281 Q N 2.101 121.952 119.800 0.085 0.000 2.356 281 Q HA 0.349 4.690 4.340 0.001 0.000 0.270 281 Q C -1.193 174.836 176.000 0.048 0.000 1.058 281 Q CA -0.812 55.029 55.803 0.062 0.000 0.802 281 Q CB 1.794 30.573 28.738 0.068 0.000 1.303 281 Q HN 0.552 nan 8.270 nan 0.000 0.444 282 N N 3.567 122.289 118.700 0.036 0.000 2.495 282 N HA 0.141 4.881 4.740 0.001 0.000 0.280 282 N C 0.965 176.491 175.510 0.028 0.000 1.168 282 N CA -0.490 52.579 53.050 0.032 0.000 0.978 282 N CB 1.164 39.667 38.487 0.026 0.000 1.191 282 N HN 0.646 nan 8.380 nan 0.000 0.497 283 L N -0.388 120.851 121.223 0.027 0.000 2.270 283 L HA -0.183 4.157 4.340 0.001 0.000 0.217 283 L C 1.418 178.299 176.870 0.018 0.000 1.107 283 L CA 1.293 56.147 54.840 0.022 0.000 0.772 283 L CB -0.451 41.621 42.059 0.021 0.000 0.902 283 L HN 0.735 nan 8.230 nan 0.000 0.439 284 A N -0.794 122.036 122.820 0.017 0.000 3.003 284 A HA 0.468 4.789 4.320 0.001 0.000 0.301 284 A C 1.451 179.042 177.584 0.013 0.000 1.280 284 A CA 0.351 52.396 52.037 0.013 0.000 0.973 284 A CB -0.323 18.684 19.000 0.011 0.000 1.110 284 A HN 0.454 nan 8.150 nan 0.000 0.590 285 G N -0.759 108.049 108.800 0.015 0.000 2.219 285 G HA2 -0.172 3.788 3.960 0.001 0.000 0.271 285 G HA3 -0.172 3.788 3.960 0.001 0.000 0.271 285 G C 0.792 175.700 174.900 0.014 0.000 0.991 285 G CA 0.913 46.021 45.100 0.014 0.000 0.685 285 G HN 1.415 nan 8.290 nan 0.000 0.531 286 G N -2.108 106.701 108.800 0.015 0.000 2.642 286 G HA2 0.739 4.700 3.960 0.001 0.000 0.291 286 G HA3 0.739 4.700 3.960 0.001 0.000 0.291 286 G C 0.753 175.664 174.900 0.019 0.000 1.345 286 G CA 0.213 45.321 45.100 0.014 0.000 1.043 286 G HN 1.233 nan 8.290 nan 0.000 0.528 287 A N -1.304 121.525 122.820 0.016 0.000 2.431 287 A HA 0.433 4.753 4.320 0.001 0.000 0.239 287 A C 0.766 178.361 177.584 0.018 0.000 1.230 287 A CA 0.133 52.181 52.037 0.020 0.000 0.928 287 A CB 0.143 19.152 19.000 0.015 0.000 1.006 287 A HN 0.421 nan 8.150 nan 0.000 0.520 288 E N 0.144 120.354 120.200 0.016 0.000 2.254 288 E HA 0.245 4.595 4.350 0.001 0.000 0.258 288 E C -0.416 176.195 176.600 0.018 0.000 1.033 288 E CA -0.789 55.620 56.400 0.015 0.000 0.893 288 E CB 0.447 30.153 29.700 0.010 0.000 1.204 288 E HN 0.390 nan 8.360 nan 0.000 0.425 289 N N 0.395 119.104 118.700 0.016 0.000 2.727 289 N HA -0.198 4.543 4.740 0.001 0.000 0.249 289 N C -0.509 175.018 175.510 0.029 0.000 1.048 289 N CA 0.793 53.853 53.050 0.016 0.000 0.714 289 N CB -0.731 37.761 38.487 0.009 0.000 0.959 289 N HN 0.358 nan 8.380 nan 0.000 0.544 290 T N -0.967 113.607 114.554 0.033 0.000 2.901 290 T HA 0.444 4.795 4.350 0.001 0.000 0.293 290 T C 0.862 175.588 174.700 0.043 0.000 1.084 290 T CA -0.762 61.362 62.100 0.040 0.000 1.008 290 T CB 1.953 70.841 68.868 0.033 0.000 1.170 290 T HN 0.094 nan 8.240 nan 0.000 0.509 291 L N 3.288 124.534 121.223 0.039 0.000 2.093 291 L HA 0.272 4.613 4.340 0.001 0.000 0.208 291 L C 2.509 179.397 176.870 0.030 0.000 1.085 291 L CA 2.585 57.447 54.840 0.037 0.000 0.755 291 L CB -0.987 41.076 42.059 0.007 0.000 0.904 291 L HN 0.826 nan 8.230 nan 0.000 0.435 292 A N -1.062 121.768 122.820 0.018 0.000 1.968 292 A HA -0.131 4.189 4.320 0.001 0.000 0.217 292 A C 2.452 180.047 177.584 0.018 0.000 1.169 292 A CA 1.472 53.519 52.037 0.017 0.000 0.638 292 A CB -0.918 18.094 19.000 0.020 0.000 0.812 292 A HN 0.643 nan 8.150 nan 0.000 0.446 293 S N -0.242 115.470 115.700 0.021 0.000 2.368 293 S HA -0.123 4.347 4.470 0.001 0.000 0.225 293 S C 1.737 176.347 174.600 0.017 0.000 1.030 293 S CA 1.510 59.720 58.200 0.017 0.000 0.999 293 S CB -0.862 62.349 63.200 0.018 0.000 0.844 293 S HN 0.235 nan 8.310 nan 0.000 0.459 294 V N 1.841 121.772 119.914 0.029 0.000 2.323 294 V HA 0.062 4.183 4.120 0.001 0.000 0.244 294 V C 2.386 178.499 176.094 0.031 0.000 1.041 294 V CA 1.485 63.805 62.300 0.033 0.000 1.025 294 V CB -0.706 31.152 31.823 0.058 0.000 0.656 294 V HN 0.456 nan 8.190 nan 0.000 0.451 295 L N -0.140 121.110 121.223 0.044 0.000 2.558 295 L HA 0.130 4.471 4.340 0.001 0.000 0.225 295 L C 0.705 177.580 176.870 0.009 0.000 1.128 295 L CA 0.353 55.219 54.840 0.044 0.000 0.868 295 L CB -0.079 42.025 42.059 0.075 0.000 1.006 295 L HN 0.285 nan 8.230 nan 0.000 0.454 296 D N -0.424 119.976 120.400 -0.000 0.000 2.564 296 D HA 0.127 4.767 4.640 0.001 0.000 0.226 296 D C -0.001 176.285 176.300 -0.023 0.000 1.149 296 D CA -0.209 53.780 54.000 -0.018 0.000 0.994 296 D CB 0.214 41.005 40.800 -0.015 0.000 1.029 296 D HN 0.051 nan 8.370 nan 0.000 0.517 297 C N 2.613 121.895 119.300 -0.030 0.000 2.470 297 C HA 0.223 4.683 4.460 0.001 0.000 0.311 297 C C 0.960 175.928 174.990 -0.036 0.000 1.387 297 C CA -0.545 58.456 59.018 -0.030 0.000 1.783 297 C CB -1.859 25.864 27.740 -0.027 0.000 2.416 297 C HN 0.575 nan 8.230 nan 0.000 0.558 298 T N -1.028 113.498 114.554 -0.047 0.000 2.855 298 T HA 0.242 4.592 4.350 0.001 0.000 0.314 298 T C 1.154 175.830 174.700 -0.039 0.000 1.077 298 T CA 0.268 62.336 62.100 -0.054 0.000 1.095 298 T CB 0.979 69.802 68.868 -0.074 0.000 0.987 298 T HN 0.427 nan 8.240 nan 0.000 0.546 299 V N -1.872 118.022 119.914 -0.035 0.000 3.565 299 V HA 0.286 4.406 4.120 0.001 0.000 0.260 299 V C 1.014 177.093 176.094 -0.025 0.000 1.231 299 V CA 0.414 62.699 62.300 -0.025 0.000 1.100 299 V CB -0.937 30.876 31.823 -0.016 0.000 0.807 299 V HN 1.183 nan 8.190 nan 0.000 0.454 300 T N -3.145 111.392 114.554 -0.029 0.000 2.887 300 T HA 0.612 4.962 4.350 0.001 0.000 0.288 300 T C -2.197 172.484 174.700 -0.033 0.000 1.021 300 T CA -1.816 60.268 62.100 -0.028 0.000 1.000 300 T CB 2.093 70.948 68.868 -0.021 0.000 1.034 300 T HN 0.001 nan 8.240 nan 0.000 0.467 301 P HA -0.057 nan 4.420 nan 0.000 0.220 301 P C 1.799 179.081 177.300 -0.030 0.000 1.148 301 P CA 0.906 63.988 63.100 -0.030 0.000 0.803 301 P CB -0.100 31.584 31.700 -0.028 0.000 0.782 302 M N -2.421 117.163 119.600 -0.028 0.000 2.288 302 M HA 0.147 4.628 4.480 0.001 0.000 0.266 302 M C 1.899 178.174 176.300 -0.042 0.000 1.072 302 M CA 2.157 57.443 55.300 -0.023 0.000 1.132 302 M CB -1.282 31.312 32.600 -0.010 0.000 1.386 302 M HN -0.183 nan 8.290 nan 0.000 0.432 303 G N 0.196 108.963 108.800 -0.056 0.000 2.534 303 G HA2 -0.115 3.845 3.960 0.001 0.000 0.217 303 G HA3 -0.115 3.845 3.960 0.001 0.000 0.217 303 G C 1.493 176.321 174.900 -0.120 0.000 1.128 303 G CA 0.843 45.885 45.100 -0.098 0.000 0.784 303 G HN 0.556 nan 8.290 nan 0.000 0.542 304 S N -0.062 115.590 115.700 -0.080 0.000 2.388 304 S HA 0.035 4.506 4.470 0.001 0.000 0.223 304 S C 2.410 176.973 174.600 -0.063 0.000 1.034 304 S CA 0.468 58.625 58.200 -0.071 0.000 0.963 304 S CB -0.159 63.015 63.200 -0.043 0.000 0.827 304 S HN 0.387 nan 8.310 nan 0.000 0.481 305 R N 0.373 120.846 120.500 -0.046 0.000 2.092 305 R HA 0.008 4.348 4.340 0.001 0.000 0.231 305 R C 2.495 178.777 176.300 -0.031 0.000 1.119 305 R CA 1.604 57.691 56.100 -0.021 0.000 0.970 305 R CB -0.387 29.908 30.300 -0.008 0.000 0.864 305 R HN 0.496 nan 8.270 nan 0.000 0.440 306 M N 0.772 120.320 119.600 -0.087 0.000 2.175 306 M HA -0.140 4.341 4.480 0.001 0.000 0.264 306 M C 2.087 178.186 176.300 -0.336 0.000 1.063 306 M CA 1.360 56.570 55.300 -0.149 0.000 1.119 306 M CB 0.004 32.481 32.600 -0.205 0.000 1.377 306 M HN 0.166 nan 8.290 nan 0.000 0.415 307 L N 0.678 121.693 121.223 -0.346 0.000 2.056 307 L HA -0.159 4.182 4.340 0.001 0.000 0.207 307 L C 2.024 178.850 176.870 -0.073 0.000 1.078 307 L CA 1.941 56.573 54.840 -0.347 0.000 0.749 307 L CB -0.618 41.300 42.059 -0.235 0.000 0.901 307 L HN 0.192 nan 8.230 nan 0.000 0.433 308 K N -0.731 119.668 120.400 -0.002 0.000 2.147 308 K HA -0.131 4.189 4.320 0.001 0.000 0.205 308 K C 2.200 178.935 176.600 0.225 0.000 1.049 308 K CA 1.327 57.682 56.287 0.112 0.000 0.936 308 K CB -0.114 32.454 32.500 0.113 0.000 0.722 308 K HN 0.380 nan 8.250 nan 0.000 0.446 309 R N -0.338 120.277 120.500 0.192 0.000 2.075 309 R HA -0.117 4.223 4.340 0.001 0.000 0.232 309 R C 2.030 178.560 176.300 0.384 0.000 1.126 309 R CA 1.344 57.605 56.100 0.269 0.000 0.963 309 R CB -0.186 30.262 30.300 0.246 0.000 0.858 309 R HN 0.272 nan 8.270 nan 0.000 0.435 310 W N 1.167 122.516 121.300 0.081 0.000 2.363 310 W HA -0.065 4.596 4.660 0.001 0.000 0.296 310 W C 1.947 178.503 176.519 0.061 0.000 1.212 310 W CA 0.559 57.945 57.345 0.069 0.000 1.260 310 W CB -0.874 28.621 29.460 0.059 0.000 1.131 310 W HN 0.050 nan 8.180 nan 0.000 0.530 311 L N -0.959 120.424 121.223 0.267 0.000 2.201 311 L HA -0.174 4.167 4.340 0.001 0.000 0.212 311 L C 2.211 179.075 176.870 -0.011 0.000 1.105 311 L CA 1.020 55.916 54.840 0.095 0.000 0.775 311 L CB -0.683 41.377 42.059 0.001 0.000 0.913 311 L HN 0.106 nan 8.230 nan 0.000 0.440 312 H N -1.643 117.490 119.070 0.106 0.000 2.575 312 H HA 0.240 4.796 4.556 0.001 0.000 0.267 312 H C 0.518 175.881 175.328 0.057 0.000 0.966 312 H CA 0.359 56.447 56.048 0.067 0.000 1.165 312 H CB 0.786 30.584 29.762 0.059 0.000 1.433 312 H HN 0.241 nan 8.280 nan 0.000 0.544 313 M N 2.264 121.968 119.600 0.174 0.000 2.353 313 M HA 0.225 4.705 4.480 0.001 0.000 0.218 313 M C -2.709 173.625 176.300 0.057 0.000 1.044 313 M CA -1.639 53.720 55.300 0.098 0.000 0.615 313 M CB 2.030 34.685 32.600 0.093 0.000 1.531 313 M HN -0.182 nan 8.290 nan 0.000 0.378 314 P HA 0.084 nan 4.420 nan 0.000 0.268 314 P C -0.521 176.781 177.300 0.004 0.000 1.204 314 P CA -0.033 63.099 63.100 0.054 0.000 0.768 314 P CB 0.858 32.599 31.700 0.068 0.000 0.842 315 V N 2.968 122.890 119.914 0.012 0.000 2.532 315 V HA 0.385 4.505 4.120 0.001 0.000 0.295 315 V C 1.406 177.495 176.094 -0.008 0.000 1.041 315 V CA -0.634 61.646 62.300 -0.033 0.000 0.926 315 V CB 1.670 33.448 31.823 -0.075 0.000 0.992 315 V HN 0.419 nan 8.190 nan 0.000 0.457 316 R N 1.237 121.682 120.500 -0.091 0.000 2.153 316 R HA 0.028 4.368 4.340 0.001 0.000 0.218 316 R C 0.364 176.622 176.300 -0.070 0.000 1.072 316 R CA 0.936 56.959 56.100 -0.129 0.000 0.990 316 R CB 0.005 30.197 30.300 -0.181 0.000 0.889 316 R HN 0.963 nan 8.270 nan 0.000 0.452 317 D N 0.490 120.840 120.400 -0.083 0.000 2.346 317 D HA -0.050 4.591 4.640 0.001 0.000 0.267 317 D C 0.920 177.135 176.300 -0.142 0.000 1.320 317 D CA 0.228 54.167 54.000 -0.102 0.000 0.951 317 D CB 1.177 41.925 40.800 -0.088 0.000 1.079 317 D HN 0.175 nan 8.370 nan 0.000 0.509 318 T N 1.510 115.936 114.554 -0.213 0.000 2.881 318 T HA -0.178 4.173 4.350 0.001 0.000 0.270 318 T C 1.897 176.501 174.700 -0.160 0.000 1.068 318 T CA 0.689 62.579 62.100 -0.350 0.000 1.131 318 T CB -0.055 68.509 68.868 -0.508 0.000 0.871 318 T HN 0.333 nan 8.240 nan 0.000 0.479 319 R N 0.569 121.010 120.500 -0.098 0.000 2.112 319 R HA -0.078 4.262 4.340 0.001 0.000 0.242 319 R C 2.511 178.784 176.300 -0.045 0.000 1.137 319 R CA 1.778 57.847 56.100 -0.051 0.000 0.944 319 R CB -0.936 29.337 30.300 -0.045 0.000 0.857 319 R HN 0.322 nan 8.270 nan 0.000 0.435 320 V N 1.211 121.083 119.914 -0.071 0.000 2.626 320 V HA -0.190 3.930 4.120 0.001 0.000 0.252 320 V C 2.158 178.214 176.094 -0.063 0.000 1.067 320 V CA 1.467 63.719 62.300 -0.081 0.000 1.081 320 V CB -0.398 31.349 31.823 -0.126 0.000 0.686 320 V HN 0.288 nan 8.190 nan 0.000 0.468 321 L N -0.986 120.207 121.223 -0.049 0.000 2.068 321 L HA -0.078 4.262 4.340 0.001 0.000 0.204 321 L C 2.367 179.312 176.870 0.125 0.000 1.076 321 L CA 1.263 56.120 54.840 0.027 0.000 0.753 321 L CB -0.539 41.506 42.059 -0.023 0.000 0.910 321 L HN 0.244 nan 8.230 nan 0.000 0.439 322 L N -0.117 121.183 121.223 0.128 0.000 2.189 322 L HA -0.249 4.091 4.340 0.001 0.000 0.214 322 L C 2.507 179.437 176.870 0.099 0.000 1.097 322 L CA 1.256 56.183 54.840 0.144 0.000 0.764 322 L CB -0.296 41.829 42.059 0.109 0.000 0.900 322 L HN 0.344 nan 8.230 nan 0.000 0.436 323 E N -0.280 119.958 120.200 0.064 0.000 2.060 323 E HA -0.138 4.212 4.350 0.001 0.000 0.189 323 E C 2.346 178.989 176.600 0.072 0.000 0.974 323 E CA 0.493 56.924 56.400 0.051 0.000 0.808 323 E CB 0.181 29.893 29.700 0.020 0.000 0.768 323 E HN 0.315 nan 8.360 nan 0.000 0.453 324 R N 0.326 120.873 120.500 0.078 0.000 2.073 324 R HA -0.150 4.190 4.340 0.001 0.000 0.234 324 R C 2.529 178.918 176.300 0.149 0.000 1.134 324 R CA 1.610 57.785 56.100 0.125 0.000 0.952 324 R CB -0.216 30.164 30.300 0.133 0.000 0.850 324 R HN 0.231 nan 8.270 nan 0.000 0.433 325 Q N 0.659 120.564 119.800 0.175 0.000 1.998 325 Q HA -0.296 4.044 4.340 0.001 0.000 0.209 325 Q C 2.242 178.365 176.000 0.204 0.000 1.002 325 Q CA 1.980 57.929 55.803 0.244 0.000 0.858 325 Q CB -0.171 28.693 28.738 0.210 0.000 0.932 325 Q HN 0.436 nan 8.270 nan 0.000 0.416 326 Q N -0.699 119.185 119.800 0.140 0.000 2.197 326 Q HA -0.161 4.179 4.340 0.001 0.000 0.207 326 Q C 2.017 178.066 176.000 0.081 0.000 0.984 326 Q CA 1.731 57.598 55.803 0.106 0.000 0.869 326 Q CB -0.010 28.773 28.738 0.075 0.000 0.906 326 Q HN 0.377 nan 8.270 nan 0.000 0.426 327 T N 0.473 115.070 114.554 0.072 0.000 2.857 327 T HA -0.038 4.313 4.350 0.001 0.000 0.266 327 T C 1.765 176.476 174.700 0.019 0.000 1.048 327 T CA 0.676 62.802 62.100 0.044 0.000 1.139 327 T CB -0.047 68.856 68.868 0.059 0.000 0.874 327 T HN 0.169 nan 8.240 nan 0.000 0.455 328 I N 1.233 121.804 120.570 0.002 0.000 2.252 328 I HA -0.073 4.098 4.170 0.001 0.000 0.245 328 I C 2.745 178.785 176.117 -0.128 0.000 1.102 328 I CA 1.203 62.436 61.300 -0.111 0.000 1.385 328 I CB -0.394 37.446 38.000 -0.266 0.000 1.064 328 I HN 0.307 nan 8.210 nan 0.000 0.414 329 G N -0.054 108.732 108.800 -0.024 0.000 2.408 329 G HA2 -0.195 3.766 3.960 0.001 0.000 0.217 329 G HA3 -0.195 3.766 3.960 0.001 0.000 0.217 329 G C 1.808 176.742 174.900 0.057 0.000 1.150 329 G CA 0.675 45.814 45.100 0.065 0.000 0.776 329 G HN 0.481 nan 8.290 nan 0.000 0.542 330 A N 0.176 123.029 122.820 0.056 0.000 2.015 330 A HA 0.216 4.537 4.320 0.001 0.000 0.219 330 A C 2.186 179.844 177.584 0.124 0.000 1.163 330 A CA 0.973 53.053 52.037 0.071 0.000 0.646 330 A CB -0.189 18.825 19.000 0.023 0.000 0.806 330 A HN 0.364 nan 8.150 nan 0.000 0.448 331 L N -1.598 119.672 121.223 0.078 0.000 2.664 331 L HA 0.083 4.423 4.340 0.001 0.000 0.233 331 L C 2.237 179.164 176.870 0.094 0.000 1.113 331 L CA 0.060 54.984 54.840 0.140 0.000 0.896 331 L CB -0.152 41.924 42.059 0.029 0.000 1.163 331 L HN 0.344 nan 8.230 nan 0.000 0.497 332 Q N 0.573 120.351 119.800 -0.035 0.000 2.133 332 Q HA -0.277 4.064 4.340 0.001 0.000 0.208 332 Q C 1.375 177.204 176.000 -0.285 0.000 0.991 332 Q CA 2.136 57.808 55.803 -0.219 0.000 0.867 332 Q CB -0.002 28.547 28.738 -0.314 0.000 0.911 332 Q HN 0.450 nan 8.270 nan 0.000 0.417 333 D N -0.757 119.521 120.400 -0.203 0.000 2.178 333 D HA -0.109 4.531 4.640 0.001 0.000 0.202 333 D C 0.840 176.909 176.300 -0.385 0.000 0.974 333 D CA 0.996 54.778 54.000 -0.363 0.000 0.841 333 D CB -0.005 40.500 40.800 -0.492 0.000 0.953 333 D HN 0.228 nan 8.370 nan 0.000 0.478 334 F N -0.168 119.720 119.950 -0.103 0.000 2.693 334 F HA 0.172 4.699 4.527 0.001 0.000 0.303 334 F C 2.198 177.962 175.800 -0.061 0.000 1.097 334 F CA 0.059 58.019 58.000 -0.067 0.000 1.330 334 F CB -0.156 38.815 39.000 -0.049 0.000 1.067 334 F HN -0.218 nan 8.300 nan 0.000 0.565 335 T N 0.278 114.869 114.554 0.062 0.000 2.674 335 T HA -0.200 4.150 4.350 0.001 0.000 0.265 335 T C 2.404 177.114 174.700 0.017 0.000 1.039 335 T CA 1.658 63.773 62.100 0.025 0.000 1.150 335 T CB -0.309 68.545 68.868 -0.023 0.000 0.864 335 T HN 0.330 nan 8.240 nan 0.000 0.427 336 A N 0.884 123.702 122.820 -0.002 0.000 1.972 336 A HA 0.098 4.418 4.320 0.001 0.000 0.219 336 A C 2.517 180.109 177.584 0.013 0.000 1.169 336 A CA 1.899 53.937 52.037 0.002 0.000 0.635 336 A CB -1.135 17.860 19.000 -0.009 0.000 0.810 336 A HN 0.534 nan 8.150 nan 0.000 0.446 337 G N -0.943 107.872 108.800 0.025 0.000 2.421 337 G HA2 0.037 3.998 3.960 0.001 0.000 0.217 337 G HA3 0.037 3.998 3.960 0.001 0.000 0.217 337 G C 1.324 176.252 174.900 0.047 0.000 1.143 337 G CA 0.922 46.046 45.100 0.040 0.000 0.784 337 G HN 0.341 nan 8.290 nan 0.000 0.541 338 L N 0.233 121.488 121.223 0.053 0.000 2.127 338 L HA 0.161 4.501 4.340 0.001 0.000 0.203 338 L C 2.928 179.815 176.870 0.029 0.000 1.080 338 L CA 1.177 56.044 54.840 0.045 0.000 0.768 338 L CB -0.995 41.094 42.059 0.049 0.000 0.924 338 L HN 0.269 nan 8.230 nan 0.000 0.444 339 Q N -0.463 119.350 119.800 0.021 0.000 2.119 339 Q HA -0.148 4.193 4.340 0.001 0.000 0.201 339 Q C -0.510 175.499 176.000 0.014 0.000 0.972 339 Q CA 1.547 57.356 55.803 0.011 0.000 0.847 339 Q CB -0.952 27.788 28.738 0.003 0.000 0.903 339 Q HN 0.437 nan 8.270 nan 0.000 0.433 340 P HA -0.092 nan 4.420 nan 0.000 0.217 340 P C 1.469 178.790 177.300 0.034 0.000 1.151 340 P CA 0.898 64.011 63.100 0.022 0.000 0.828 340 P CB 0.027 31.740 31.700 0.021 0.000 0.788 341 V N -0.330 119.607 119.914 0.037 0.000 2.295 341 V HA -0.219 3.901 4.120 0.001 0.000 0.246 341 V C 2.450 178.574 176.094 0.051 0.000 1.049 341 V CA 1.675 64.003 62.300 0.047 0.000 1.024 341 V CB -1.266 30.582 31.823 0.042 0.000 0.648 341 V HN 0.033 nan 8.190 nan 0.000 0.447 342 L N -0.277 120.968 121.223 0.037 0.000 2.131 342 L HA -0.162 4.179 4.340 0.001 0.000 0.210 342 L C 2.689 179.574 176.870 0.025 0.000 1.092 342 L CA 1.737 56.596 54.840 0.031 0.000 0.759 342 L CB -0.580 41.489 42.059 0.017 0.000 0.903 342 L HN 0.270 nan 8.230 nan 0.000 0.435 343 R N -0.381 120.130 120.500 0.019 0.000 2.105 343 R HA -0.198 4.142 4.340 0.001 0.000 0.239 343 R C 2.255 178.559 176.300 0.007 0.000 1.135 343 R CA 1.220 57.323 56.100 0.006 0.000 0.967 343 R CB -0.028 30.273 30.300 0.002 0.000 0.861 343 R HN 0.302 nan 8.270 nan 0.000 0.442 344 Q N 0.126 119.948 119.800 0.037 0.000 2.226 344 Q HA -0.089 4.252 4.340 0.001 0.000 0.204 344 Q C 2.119 178.165 176.000 0.077 0.000 0.975 344 Q CA 1.156 56.999 55.803 0.067 0.000 0.866 344 Q CB -0.182 28.672 28.738 0.193 0.000 0.915 344 Q HN 0.267 nan 8.270 nan 0.000 0.440 345 V N -0.139 119.815 119.914 0.067 0.000 2.626 345 V HA -0.106 4.014 4.120 0.001 0.000 0.252 345 V C 1.477 177.575 176.094 0.006 0.000 1.067 345 V CA 1.204 63.536 62.300 0.053 0.000 1.081 345 V CB -1.248 30.608 31.823 0.055 0.000 0.686 345 V HN 0.558 nan 8.190 nan 0.000 0.468 346 G N 0.433 109.226 108.800 -0.011 0.000 2.575 346 G HA2 -0.343 3.617 3.960 0.001 0.000 0.267 346 G HA3 -0.343 3.617 3.960 0.001 0.000 0.267 346 G C 0.025 174.909 174.900 -0.028 0.000 1.264 346 G CA 0.291 45.372 45.100 -0.032 0.000 0.935 346 G HN 0.395 nan 8.290 nan 0.000 0.568 347 D N 0.678 121.056 120.400 -0.036 0.000 2.845 347 D HA 0.282 4.922 4.640 0.001 0.000 0.235 347 D C 1.902 178.183 176.300 -0.031 0.000 1.158 347 D CA -0.321 53.661 54.000 -0.030 0.000 0.990 347 D CB 0.045 40.826 40.800 -0.032 0.000 1.094 347 D HN 0.396 nan 8.370 nan 0.000 0.486 348 L N 1.174 122.381 121.223 -0.026 0.000 2.353 348 L HA -0.088 4.252 4.340 0.001 0.000 0.220 348 L C 1.854 178.713 176.870 -0.019 0.000 1.133 348 L CA 1.574 56.394 54.840 -0.033 0.000 0.798 348 L CB -0.140 41.910 42.059 -0.015 0.000 0.922 348 L HN 0.243 nan 8.230 nan 0.000 0.445 349 E N -0.511 119.686 120.200 -0.004 0.000 2.015 349 E HA -0.225 4.126 4.350 0.001 0.000 0.191 349 E C 2.220 178.817 176.600 -0.006 0.000 0.991 349 E CA 1.165 57.569 56.400 0.008 0.000 0.802 349 E CB -0.059 29.651 29.700 0.018 0.000 0.759 349 E HN 0.469 nan 8.360 nan 0.000 0.447 350 R N -0.059 120.431 120.500 -0.016 0.000 2.189 350 R HA -0.020 4.320 4.340 0.001 0.000 0.218 350 R C 2.321 178.593 176.300 -0.047 0.000 1.074 350 R CA 0.664 56.746 56.100 -0.029 0.000 0.991 350 R CB -0.088 30.196 30.300 -0.027 0.000 0.883 350 R HN 0.313 nan 8.270 nan 0.000 0.457 351 I N 0.186 120.728 120.570 -0.047 0.000 2.353 351 I HA -0.227 3.943 4.170 0.001 0.000 0.248 351 I C 1.628 177.707 176.117 -0.063 0.000 1.119 351 I CA 0.727 61.995 61.300 -0.053 0.000 1.417 351 I CB -0.009 37.953 38.000 -0.064 0.000 1.078 351 I HN 0.071 nan 8.210 nan 0.000 0.421 352 L N 0.594 121.781 121.223 -0.060 0.000 2.201 352 L HA -0.110 4.230 4.340 0.001 0.000 0.212 352 L C 2.598 179.388 176.870 -0.133 0.000 1.105 352 L CA 1.748 56.548 54.840 -0.067 0.000 0.775 352 L CB -1.340 40.702 42.059 -0.028 0.000 0.913 352 L HN 0.188 nan 8.230 nan 0.000 0.440 353 A N -0.820 121.909 122.820 -0.153 0.000 1.898 353 A HA -0.179 4.141 4.320 0.001 0.000 0.216 353 A C 2.482 179.878 177.584 -0.314 0.000 1.181 353 A CA 1.281 53.132 52.037 -0.309 0.000 0.620 353 A CB -0.354 18.542 19.000 -0.173 0.000 0.819 353 A HN 0.326 nan 8.150 nan 0.000 0.442 354 R N -1.301 119.090 120.500 -0.182 0.000 2.115 354 R HA -0.011 4.329 4.340 0.001 0.000 0.226 354 R C 2.014 178.207 176.300 -0.178 0.000 1.100 354 R CA 1.068 57.079 56.100 -0.150 0.000 0.980 354 R CB -0.424 29.834 30.300 -0.070 0.000 0.875 354 R HN 0.477 nan 8.270 nan 0.000 0.445 355 L N 0.616 121.752 121.223 -0.146 0.000 2.083 355 L HA -0.107 4.233 4.340 0.001 0.000 0.209 355 L C 2.137 178.839 176.870 -0.280 0.000 1.083 355 L CA 1.790 56.532 54.840 -0.163 0.000 0.752 355 L CB -0.329 41.697 42.059 -0.054 0.000 0.899 355 L HN 0.083 nan 8.230 nan 0.000 0.433 356 A N -1.501 121.153 122.820 -0.277 0.000 1.935 356 A HA -0.007 4.314 4.320 0.001 0.000 0.214 356 A C 1.907 179.326 177.584 -0.274 0.000 1.178 356 A CA 0.932 52.810 52.037 -0.266 0.000 0.640 356 A CB -0.515 18.297 19.000 -0.314 0.000 0.825 356 A HN 0.340 nan 8.150 nan 0.000 0.447 357 L N -1.158 119.877 121.223 -0.313 0.000 2.395 357 L HA 0.116 4.457 4.340 0.001 0.000 0.218 357 L C 0.992 177.692 176.870 -0.283 0.000 1.130 357 L CA 1.115 55.810 54.840 -0.241 0.000 0.826 357 L CB -1.215 40.722 42.059 -0.204 0.000 0.941 357 L HN 0.494 nan 8.230 nan 0.000 0.451 358 R N -0.851 119.380 120.500 -0.448 0.000 3.654 358 R HA -0.159 4.181 4.340 0.001 0.000 0.302 358 R C 0.849 176.869 176.300 -0.468 0.000 1.166 358 R CA 0.797 56.445 56.100 -0.753 0.000 0.810 358 R CB -2.532 27.424 30.300 -0.574 0.000 1.323 358 R HN 0.505 nan 8.270 nan 0.000 0.478 359 T N -3.876 110.525 114.554 -0.254 0.000 3.044 359 T HA 0.435 4.785 4.350 0.001 0.000 0.260 359 T C 0.704 175.458 174.700 0.091 0.000 1.019 359 T CA 0.303 62.378 62.100 -0.041 0.000 0.921 359 T CB 0.712 69.544 68.868 -0.060 0.000 1.053 359 T HN 0.407 nan 8.240 nan 0.000 0.533 360 A N 2.864 125.767 122.820 0.139 0.000 2.515 360 A HA 0.433 4.754 4.320 0.001 0.000 0.263 360 A C 0.614 178.420 177.584 0.370 0.000 1.096 360 A CA -0.534 51.643 52.037 0.233 0.000 0.769 360 A CB -0.098 19.051 19.000 0.248 0.000 1.040 360 A HN 0.603 nan 8.150 nan 0.000 0.505 361 R N 3.285 123.914 120.500 0.215 0.000 2.615 361 R HA 0.231 4.572 4.340 0.001 0.000 0.270 361 R C -1.929 174.467 176.300 0.160 0.000 1.081 361 R CA -1.670 54.532 56.100 0.170 0.000 1.154 361 R CB -0.122 30.215 30.300 0.063 0.000 1.063 361 R HN 0.366 nan 8.270 nan 0.000 0.519 362 P HA -0.202 nan 4.420 nan 0.000 0.217 362 P C 0.782 178.103 177.300 0.035 0.000 1.151 362 P CA 1.466 64.593 63.100 0.045 0.000 0.849 362 P CB 0.114 31.736 31.700 -0.131 0.000 0.787 363 R N -0.744 119.759 120.500 0.006 0.000 2.115 363 R HA -0.063 4.278 4.340 0.001 0.000 0.226 363 R C 1.723 178.016 176.300 -0.012 0.000 1.100 363 R CA 1.061 57.155 56.100 -0.011 0.000 0.980 363 R CB -0.996 29.290 30.300 -0.023 0.000 0.875 363 R HN 0.300 nan 8.270 nan 0.000 0.445 364 D N 1.192 121.597 120.400 0.007 0.000 2.133 364 D HA -0.162 4.478 4.640 0.001 0.000 0.195 364 D C 1.987 178.274 176.300 -0.021 0.000 0.997 364 D CA 1.025 55.023 54.000 -0.002 0.000 0.840 364 D CB 0.009 40.827 40.800 0.031 0.000 0.947 364 D HN 0.185 nan 8.370 nan 0.000 0.452 365 L N 0.489 121.718 121.223 0.010 0.000 2.109 365 L HA -0.063 4.278 4.340 0.001 0.000 0.207 365 L C 2.541 179.376 176.870 -0.058 0.000 1.086 365 L CA 0.719 55.542 54.840 -0.029 0.000 0.760 365 L CB -0.384 41.675 42.059 0.001 0.000 0.910 365 L HN -0.038 nan 8.230 nan 0.000 0.437 366 A N 0.112 122.914 122.820 -0.029 0.000 1.930 366 A HA -0.179 4.141 4.320 0.001 0.000 0.217 366 A C 2.296 179.861 177.584 -0.032 0.000 1.175 366 A CA 1.246 53.268 52.037 -0.025 0.000 0.627 366 A CB -0.345 18.648 19.000 -0.013 0.000 0.815 366 A HN 0.338 nan 8.150 nan 0.000 0.443 367 R N -1.416 119.049 120.500 -0.058 0.000 2.246 367 R HA 0.167 4.508 4.340 0.001 0.000 0.199 367 R C 2.117 178.338 176.300 -0.132 0.000 0.984 367 R CA 0.806 56.865 56.100 -0.069 0.000 1.015 367 R CB -0.235 30.014 30.300 -0.084 0.000 0.930 367 R HN 0.666 nan 8.270 nan 0.000 0.475 368 M N 0.718 120.183 119.600 -0.225 0.000 2.200 368 M HA -0.139 4.342 4.480 0.001 0.000 0.265 368 M C 2.355 178.194 176.300 -0.769 0.000 1.066 368 M CA 1.474 56.481 55.300 -0.488 0.000 1.127 368 M CB -0.038 32.287 32.600 -0.459 0.000 1.379 368 M HN -0.030 nan 8.290 nan 0.000 0.420 369 R N -0.716 119.539 120.500 -0.409 0.000 2.083 369 R HA -0.252 4.088 4.340 0.001 0.000 0.237 369 R C 2.430 178.683 176.300 -0.078 0.000 1.137 369 R CA 2.021 58.004 56.100 -0.196 0.000 0.951 369 R CB -0.749 29.526 30.300 -0.041 0.000 0.851 369 R HN 0.537 nan 8.270 nan 0.000 0.434 370 H N 0.101 119.098 119.070 -0.122 0.000 2.319 370 H HA -0.115 4.442 4.556 0.001 0.000 0.299 370 H C 1.842 177.147 175.328 -0.038 0.000 1.092 370 H CA 1.995 58.010 56.048 -0.056 0.000 1.302 370 H CB -0.171 29.558 29.762 -0.056 0.000 1.373 370 H HN 0.416 nan 8.280 nan 0.000 0.497 371 A N 1.013 123.860 122.820 0.045 0.000 1.903 371 A HA -0.225 4.096 4.320 0.001 0.000 0.219 371 A C 2.264 179.944 177.584 0.160 0.000 1.191 371 A CA 1.841 53.903 52.037 0.041 0.000 0.638 371 A CB -1.117 17.839 19.000 -0.073 0.000 0.823 371 A HN 0.353 nan 8.150 nan 0.000 0.451 372 F N -0.098 119.881 119.950 0.047 0.000 2.216 372 F HA -0.142 4.385 4.527 0.001 0.000 0.300 372 F C 2.576 178.395 175.800 0.032 0.000 1.085 372 F CA 1.278 59.315 58.000 0.061 0.000 1.326 372 F CB -1.154 37.882 39.000 0.060 0.000 1.027 372 F HN 0.369 nan 8.300 nan 0.000 0.497 373 Q N -0.503 119.394 119.800 0.162 0.000 2.369 373 Q HA -0.136 4.205 4.340 0.001 0.000 0.206 373 Q C 1.892 177.901 176.000 0.014 0.000 0.963 373 Q CA 0.727 56.550 55.803 0.034 0.000 0.894 373 Q CB -0.028 28.647 28.738 -0.106 0.000 0.965 373 Q HN 0.365 nan 8.270 nan 0.000 0.475 374 Q N -0.163 119.664 119.800 0.046 0.000 2.398 374 Q HA 0.033 4.373 4.340 0.001 0.000 0.204 374 Q C 1.963 178.005 176.000 0.071 0.000 0.932 374 Q CA 0.514 56.348 55.803 0.052 0.000 0.916 374 Q CB 0.178 28.959 28.738 0.072 0.000 1.024 374 Q HN 0.429 nan 8.270 nan 0.000 0.504 375 L N 1.022 122.309 121.223 0.105 0.000 2.017 375 L HA -0.139 4.202 4.340 0.001 0.000 0.208 375 L C -0.484 176.414 176.870 0.046 0.000 1.073 375 L CA 1.331 56.227 54.840 0.094 0.000 0.745 375 L CB -2.038 40.103 42.059 0.137 0.000 0.894 375 L HN 0.121 nan 8.230 nan 0.000 0.432 376 P HA -0.207 nan 4.420 nan 0.000 0.216 376 P C 1.366 178.674 177.300 0.013 0.000 1.150 376 P CA 1.398 64.505 63.100 0.012 0.000 0.837 376 P CB 0.137 31.842 31.700 0.009 0.000 0.786 377 E N 0.012 120.225 120.200 0.020 0.000 2.028 377 E HA -0.120 4.230 4.350 0.001 0.000 0.190 377 E C 2.010 178.624 176.600 0.023 0.000 0.984 377 E CA 0.905 57.318 56.400 0.021 0.000 0.800 377 E CB -1.231 28.483 29.700 0.023 0.000 0.758 377 E HN 0.025 nan 8.360 nan 0.000 0.448 378 L N 0.296 121.536 121.223 0.028 0.000 2.103 378 L HA -0.282 4.059 4.340 0.001 0.000 0.215 378 L C 2.791 179.664 176.870 0.005 0.000 1.080 378 L CA 1.835 56.689 54.840 0.023 0.000 0.764 378 L CB -0.441 41.639 42.059 0.034 0.000 0.890 378 L HN 0.196 nan 8.230 nan 0.000 0.435 379 R N -0.824 119.678 120.500 0.003 0.000 2.090 379 R HA -0.054 4.286 4.340 0.001 0.000 0.228 379 R C 2.419 178.710 176.300 -0.016 0.000 1.110 379 R CA 1.052 57.143 56.100 -0.014 0.000 0.973 379 R CB -0.292 29.998 30.300 -0.018 0.000 0.869 379 R HN 0.363 nan 8.270 nan 0.000 0.440 380 A N 1.264 124.083 122.820 -0.002 0.000 1.855 380 A HA -0.201 4.120 4.320 0.001 0.000 0.215 380 A C 2.041 179.635 177.584 0.017 0.000 1.191 380 A CA 1.127 53.168 52.037 0.006 0.000 0.613 380 A CB -0.436 18.572 19.000 0.015 0.000 0.829 380 A HN 0.287 nan 8.150 nan 0.000 0.442 381 Q N -0.477 119.340 119.800 0.029 0.000 2.096 381 Q HA -0.132 4.209 4.340 0.001 0.000 0.204 381 Q C 1.906 177.890 176.000 -0.026 0.000 0.982 381 Q CA 1.531 57.371 55.803 0.062 0.000 0.850 381 Q CB -0.346 28.438 28.738 0.077 0.000 0.901 381 Q HN 0.680 nan 8.270 nan 0.000 0.422 382 L N 0.311 121.480 121.223 -0.090 0.000 2.492 382 L HA -0.054 4.287 4.340 0.001 0.000 0.223 382 L C 2.216 178.983 176.870 -0.173 0.000 1.132 382 L CA 0.244 54.966 54.840 -0.197 0.000 0.850 382 L CB -0.299 41.678 42.059 -0.136 0.000 0.966 382 L HN 0.262 nan 8.230 nan 0.000 0.454 383 E N 0.690 120.837 120.200 -0.090 0.000 2.114 383 E HA -0.293 4.057 4.350 0.001 0.000 0.199 383 E C 1.849 178.411 176.600 -0.064 0.000 1.008 383 E CA 2.176 58.541 56.400 -0.059 0.000 0.810 383 E CB 0.133 29.821 29.700 -0.021 0.000 0.739 383 E HN 0.568 nan 8.360 nan 0.000 0.456 384 T N -2.455 112.060 114.554 -0.066 0.000 3.044 384 T HA 0.139 4.489 4.350 0.001 0.000 0.250 384 T C 0.754 175.409 174.700 -0.074 0.000 1.081 384 T CA -0.177 61.916 62.100 -0.013 0.000 1.040 384 T CB 0.220 69.156 68.868 0.114 0.000 0.962 384 T HN -0.114 nan 8.240 nan 0.000 0.506 385 V N 3.516 123.250 119.914 -0.300 0.000 2.458 385 V HA 0.096 4.216 4.120 0.001 0.000 0.287 385 V C 0.131 176.148 176.094 -0.130 0.000 1.009 385 V CA -0.030 62.066 62.300 -0.341 0.000 1.091 385 V CB -0.045 31.453 31.823 -0.541 0.000 0.960 385 V HN 0.380 nan 8.190 nan 0.000 0.476 386 D N 3.618 123.993 120.400 -0.043 0.000 2.896 386 D HA 0.220 4.861 4.640 0.001 0.000 0.240 386 D C 0.368 176.663 176.300 -0.010 0.000 1.193 386 D CA 0.281 54.273 54.000 -0.013 0.000 0.983 386 D CB 0.313 41.123 40.800 0.017 0.000 1.074 386 D HN 0.703 nan 8.370 nan 0.000 0.496 387 S N -1.502 114.181 115.700 -0.029 0.000 2.538 387 S HA 0.644 5.114 4.470 0.001 0.000 0.288 387 S C 1.020 175.607 174.600 -0.020 0.000 1.108 387 S CA -0.741 57.450 58.200 -0.014 0.000 0.971 387 S CB 2.186 65.380 63.200 -0.009 0.000 1.041 387 S HN 0.033 nan 8.310 nan 0.000 0.483 388 A N 3.111 125.926 122.820 -0.009 0.000 1.972 388 A HA 0.171 4.492 4.320 0.001 0.000 0.219 388 A C -0.658 176.920 177.584 -0.009 0.000 1.169 388 A CA 1.365 53.396 52.037 -0.010 0.000 0.635 388 A CB -1.908 17.089 19.000 -0.004 0.000 0.810 388 A HN 0.707 nan 8.150 nan 0.000 0.446 389 P HA -0.073 nan 4.420 nan 0.000 0.216 389 P C 1.577 178.877 177.300 -0.001 0.000 1.153 389 P CA 0.958 64.062 63.100 0.007 0.000 0.844 389 P CB -0.098 31.615 31.700 0.021 0.000 0.787 390 V N 0.021 119.924 119.914 -0.019 0.000 2.407 390 V HA -0.229 3.891 4.120 0.001 0.000 0.248 390 V C 2.394 178.458 176.094 -0.049 0.000 1.055 390 V CA 1.680 63.954 62.300 -0.043 0.000 1.049 390 V CB -1.067 30.701 31.823 -0.093 0.000 0.662 390 V HN 0.155 nan 8.190 nan 0.000 0.455 391 Q N -0.449 119.323 119.800 -0.047 0.000 2.297 391 Q HA 0.013 4.353 4.340 0.001 0.000 0.204 391 Q C 2.316 178.299 176.000 -0.028 0.000 0.962 391 Q CA 1.489 57.265 55.803 -0.044 0.000 0.879 391 Q CB -0.411 28.303 28.738 -0.041 0.000 0.947 391 Q HN 0.666 nan 8.270 nan 0.000 0.462 392 A N 0.638 123.448 122.820 -0.016 0.000 1.898 392 A HA -0.025 4.296 4.320 0.001 0.000 0.214 392 A C 2.169 179.755 177.584 0.003 0.000 1.183 392 A CA 0.514 52.548 52.037 -0.006 0.000 0.622 392 A CB -0.557 18.444 19.000 0.002 0.000 0.824 392 A HN 0.287 nan 8.150 nan 0.000 0.444 393 L N -0.566 120.662 121.223 0.009 0.000 2.187 393 L HA -0.183 4.157 4.340 0.001 0.000 0.213 393 L C 2.730 179.605 176.870 0.009 0.000 1.100 393 L CA 1.664 56.516 54.840 0.020 0.000 0.765 393 L CB -0.396 41.678 42.059 0.024 0.000 0.904 393 L HN 0.523 nan 8.230 nan 0.000 0.437 394 R N 0.129 120.622 120.500 -0.011 0.000 2.075 394 R HA -0.170 4.170 4.340 0.001 0.000 0.226 394 R C 2.156 178.441 176.300 -0.024 0.000 1.114 394 R CA 1.222 57.310 56.100 -0.021 0.000 0.972 394 R CB 0.063 30.338 30.300 -0.041 0.000 0.869 394 R HN 0.149 nan 8.270 nan 0.000 0.437 395 E N 1.147 121.330 120.200 -0.027 0.000 2.015 395 E HA -0.164 4.186 4.350 0.001 0.000 0.191 395 E C 1.782 178.363 176.600 -0.032 0.000 0.991 395 E CA 1.569 57.944 56.400 -0.040 0.000 0.802 395 E CB -0.063 29.614 29.700 -0.037 0.000 0.759 395 E HN 0.197 nan 8.360 nan 0.000 0.447 396 K N -0.149 120.249 120.400 -0.003 0.000 2.107 396 K HA -0.271 4.050 4.320 0.001 0.000 0.211 396 K C 2.263 178.896 176.600 0.056 0.000 1.049 396 K CA 1.983 58.286 56.287 0.027 0.000 0.927 396 K CB -0.301 32.224 32.500 0.042 0.000 0.714 396 K HN 0.247 nan 8.250 nan 0.000 0.452 397 M N -0.256 119.375 119.600 0.053 0.000 2.088 397 M HA -0.202 4.279 4.480 0.001 0.000 0.256 397 M C 0.992 177.366 176.300 0.124 0.000 1.071 397 M CA 2.179 57.533 55.300 0.091 0.000 1.097 397 M CB -0.542 32.093 32.600 0.057 0.000 1.315 397 M HN 0.526 nan 8.290 nan 0.000 0.406 398 G N -0.903 107.883 108.800 -0.023 0.000 2.728 398 G HA2 -0.248 3.712 3.960 0.001 0.000 0.294 398 G HA3 -0.248 3.712 3.960 0.001 0.000 0.294 398 G C -0.109 174.671 174.900 -0.199 0.000 1.342 398 G CA 0.087 45.033 45.100 -0.257 0.000 0.866 398 G HN 0.513 nan 8.290 nan 0.000 0.534 399 E N -1.917 118.014 120.200 -0.448 0.000 2.879 399 E HA 0.323 4.673 4.350 0.001 0.000 0.206 399 E C 0.375 176.878 176.600 -0.161 0.000 0.969 399 E CA 0.075 56.356 56.400 -0.199 0.000 1.496 399 E CB 0.433 30.018 29.700 -0.191 0.000 1.454 399 E HN 0.858 nan 8.360 nan 0.000 0.750 400 F N 0.354 120.146 119.950 -0.264 0.000 2.969 400 F HA -0.289 4.239 4.527 0.001 0.000 0.273 400 F C 1.017 176.608 175.800 -0.348 0.000 0.986 400 F CA 0.234 58.002 58.000 -0.386 0.000 0.926 400 F CB -1.767 36.809 39.000 -0.707 0.000 0.887 400 F HN 0.175 nan 8.300 nan 0.000 0.816 401 A N -0.454 122.306 122.820 -0.100 0.000 1.933 401 A HA -0.169 4.151 4.320 0.001 0.000 0.218 401 A C 2.176 179.751 177.584 -0.014 0.000 1.175 401 A CA 1.829 53.837 52.037 -0.049 0.000 0.628 401 A CB -0.158 18.814 19.000 -0.046 0.000 0.814 401 A HN 0.460 nan 8.150 nan 0.000 0.444 402 E N -0.303 119.891 120.200 -0.010 0.000 2.385 402 E HA 0.087 4.438 4.350 0.001 0.000 0.194 402 E C 1.905 178.545 176.600 0.066 0.000 1.013 402 E CA 0.235 56.653 56.400 0.029 0.000 0.866 402 E CB -0.144 29.571 29.700 0.025 0.000 0.832 402 E HN 0.667 nan 8.360 nan 0.000 0.500 403 L N 0.284 121.540 121.223 0.054 0.000 2.131 403 L HA 0.012 4.353 4.340 0.001 0.000 0.206 403 L C 2.710 179.680 176.870 0.167 0.000 1.087 403 L CA 0.708 55.607 54.840 0.098 0.000 0.767 403 L CB -0.387 41.695 42.059 0.037 0.000 0.917 403 L HN 0.069 nan 8.230 nan 0.000 0.441 404 R N 0.902 121.473 120.500 0.117 0.000 2.096 404 R HA -0.269 4.072 4.340 0.001 0.000 0.240 404 R C 1.857 178.249 176.300 0.153 0.000 1.139 404 R CA 2.518 58.769 56.100 0.252 0.000 0.952 404 R CB -0.296 30.102 30.300 0.164 0.000 0.854 404 R HN 0.304 nan 8.270 nan 0.000 0.436 405 D N -0.200 120.258 120.400 0.098 0.000 2.149 405 D HA -0.152 4.489 4.640 0.001 0.000 0.201 405 D C 2.008 178.359 176.300 0.085 0.000 0.972 405 D CA 0.773 54.820 54.000 0.078 0.000 0.835 405 D CB 0.016 40.853 40.800 0.062 0.000 0.966 405 D HN 0.264 nan 8.370 nan 0.000 0.476 406 L N 0.109 121.391 121.223 0.098 0.000 2.042 406 L HA -0.066 4.274 4.340 0.001 0.000 0.210 406 L C 1.840 178.726 176.870 0.027 0.000 1.076 406 L CA 1.625 56.525 54.840 0.099 0.000 0.749 406 L CB -0.312 41.813 42.059 0.110 0.000 0.893 406 L HN 0.171 nan 8.230 nan 0.000 0.432 407 L N -1.195 120.051 121.223 0.038 0.000 2.418 407 L HA -0.008 4.332 4.340 0.001 0.000 0.218 407 L C 2.313 179.168 176.870 -0.025 0.000 1.125 407 L CA 0.408 55.236 54.840 -0.020 0.000 0.835 407 L CB -0.560 41.514 42.059 0.025 0.000 0.953 407 L HN 0.317 nan 8.230 nan 0.000 0.454 408 E N 0.660 120.870 120.200 0.018 0.000 2.072 408 E HA -0.156 4.195 4.350 0.001 0.000 0.191 408 E C 2.133 178.732 176.600 -0.002 0.000 0.985 408 E CA 0.983 57.393 56.400 0.016 0.000 0.801 408 E CB 0.115 29.838 29.700 0.038 0.000 0.750 408 E HN 0.442 nan 8.360 nan 0.000 0.452 409 R N -0.313 120.189 120.500 0.002 0.000 2.246 409 R HA 0.157 4.497 4.340 0.001 0.000 0.199 409 R C 1.944 178.149 176.300 -0.157 0.000 0.984 409 R CA 0.611 56.728 56.100 0.029 0.000 1.015 409 R CB 0.272 30.671 30.300 0.165 0.000 0.930 409 R HN 0.036 nan 8.270 nan 0.000 0.475 410 A N 1.027 123.604 122.820 -0.404 0.000 1.943 410 A HA 0.205 4.525 4.320 0.001 0.000 0.213 410 A C 1.033 178.360 177.584 -0.428 0.000 1.181 410 A CA 0.515 52.011 52.037 -0.901 0.000 0.653 410 A CB 0.334 18.865 19.000 -0.781 0.000 0.833 410 A HN 0.033 nan 8.150 nan 0.000 0.451 411 I N 0.580 121.024 120.570 -0.209 0.000 2.740 411 I HA 0.370 4.541 4.170 0.001 0.000 0.303 411 I C -0.189 175.894 176.117 -0.057 0.000 1.044 411 I CA -1.094 60.144 61.300 -0.103 0.000 1.064 411 I CB 1.926 39.886 38.000 -0.065 0.000 1.249 411 I HN 0.399 nan 8.210 nan 0.000 0.433 412 I N -0.321 120.228 120.570 -0.036 0.000 3.156 412 I HA 0.294 4.464 4.170 0.001 0.000 0.306 412 I C 0.568 176.679 176.117 -0.009 0.000 1.048 412 I CA -0.051 61.238 61.300 -0.017 0.000 1.207 412 I CB 0.440 38.432 38.000 -0.013 0.000 1.456 412 I HN 0.449 nan 8.210 nan 0.000 0.616 413 D N 0.696 121.096 120.400 -0.000 0.000 2.144 413 D HA -0.055 4.585 4.640 0.001 0.000 0.199 413 D C 0.264 176.568 176.300 0.007 0.000 0.984 413 D CA 1.685 55.691 54.000 0.010 0.000 0.834 413 D CB -0.107 40.702 40.800 0.014 0.000 0.955 413 D HN 0.748 nan 8.370 nan 0.000 0.465 414 T N 1.807 116.360 114.554 -0.003 0.000 3.305 414 T HA 0.287 4.638 4.350 0.001 0.000 0.348 414 T C -2.590 172.099 174.700 -0.018 0.000 1.394 414 T CA -1.269 60.826 62.100 -0.009 0.000 1.549 414 T CB 1.789 70.653 68.868 -0.007 0.000 0.962 414 T HN -0.024 nan 8.240 nan 0.000 0.609 415 P HA 0.416 nan 4.420 nan 0.000 0.274 415 P C -2.839 174.436 177.300 -0.043 0.000 1.237 415 P CA -1.558 61.519 63.100 -0.038 0.000 0.793 415 P CB 0.079 31.752 31.700 -0.045 0.000 0.977 416 P HA 0.063 nan 4.420 nan 0.000 0.274 416 P C 1.224 178.491 177.300 -0.056 0.000 1.246 416 P CA -0.333 62.737 63.100 -0.049 0.000 0.795 416 P CB 0.325 31.994 31.700 -0.053 0.000 1.006 417 V N 0.114 120.003 119.914 -0.042 0.000 2.282 417 V HA -0.194 3.927 4.120 0.001 0.000 0.249 417 V C 1.193 177.258 176.094 -0.049 0.000 1.057 417 V CA 1.819 64.097 62.300 -0.036 0.000 1.032 417 V CB -0.960 30.849 31.823 -0.022 0.000 0.645 417 V HN 0.345 nan 8.190 nan 0.000 0.447 418 L N -0.638 120.548 121.223 -0.061 0.000 2.331 418 L HA 0.366 4.706 4.340 0.001 0.000 0.275 418 L C 1.194 177.974 176.870 -0.151 0.000 1.022 418 L CA -0.530 54.261 54.840 -0.082 0.000 0.812 418 L CB 1.485 43.517 42.059 -0.045 0.000 1.257 418 L HN 0.036 nan 8.230 nan 0.000 0.435 419 V N -1.076 118.697 119.914 -0.235 0.000 2.759 419 V HA -0.160 3.960 4.120 0.001 0.000 0.256 419 V C 2.335 178.329 176.094 -0.166 0.000 1.080 419 V CA 1.146 63.257 62.300 -0.316 0.000 1.101 419 V CB -1.061 30.482 31.823 -0.466 0.000 0.698 419 V HN 0.927 nan 8.190 nan 0.000 0.477 420 R N 1.653 122.093 120.500 -0.100 0.000 2.178 420 R HA -0.280 4.061 4.340 0.001 0.000 0.257 420 R C 1.402 177.673 176.300 -0.048 0.000 1.163 420 R CA 2.674 58.742 56.100 -0.053 0.000 0.981 420 R CB -0.244 30.041 30.300 -0.024 0.000 0.878 420 R HN 0.811 nan 8.270 nan 0.000 0.454 421 D N -2.179 118.188 120.400 -0.056 0.000 2.469 421 D HA 0.255 4.896 4.640 0.001 0.000 0.213 421 D C 0.664 176.933 176.300 -0.051 0.000 1.135 421 D CA 0.430 54.404 54.000 -0.044 0.000 0.834 421 D CB 1.087 41.868 40.800 -0.032 0.000 1.009 421 D HN 0.438 nan 8.370 nan 0.000 0.507 422 G N 0.839 109.596 108.800 -0.072 0.000 2.584 422 G HA2 0.097 4.057 3.960 0.001 0.000 0.229 422 G HA3 0.097 4.057 3.960 0.001 0.000 0.229 422 G C 0.844 175.709 174.900 -0.059 0.000 1.320 422 G CA -0.152 44.907 45.100 -0.068 0.000 0.891 422 G HN 1.032 nan 8.290 nan 0.000 0.573 423 G N -2.528 106.249 108.800 -0.038 0.000 2.273 423 G HA2 0.101 4.062 3.960 0.001 0.000 0.280 423 G HA3 0.101 4.062 3.960 0.001 0.000 0.280 423 G C 1.551 176.426 174.900 -0.043 0.000 1.047 423 G CA 1.922 47.004 45.100 -0.030 0.000 0.869 423 G HN 2.491 nan 8.290 nan 0.000 0.502 424 V N -2.126 117.754 119.914 -0.057 0.000 3.090 424 V HA 0.497 4.617 4.120 0.001 0.000 0.237 424 V C 1.230 177.296 176.094 -0.047 0.000 1.209 424 V CA 0.375 62.631 62.300 -0.073 0.000 1.209 424 V CB 0.129 31.863 31.823 -0.149 0.000 0.971 424 V HN 0.239 nan 8.190 nan 0.000 0.477 425 I N 2.780 123.335 120.570 -0.025 0.000 2.529 425 I HA 0.517 4.687 4.170 0.001 0.000 0.284 425 I C 0.973 177.097 176.117 0.013 0.000 1.082 425 I CA 0.419 61.714 61.300 -0.009 0.000 1.406 425 I CB 0.710 38.746 38.000 0.060 0.000 1.405 425 I HN 0.434 nan 8.210 nan 0.000 0.548 426 A N 4.976 127.794 122.820 -0.005 0.000 2.386 426 A HA 0.230 4.550 4.320 0.001 0.000 0.248 426 A C 0.602 178.233 177.584 0.079 0.000 1.082 426 A CA -0.229 51.823 52.037 0.025 0.000 0.789 426 A CB 0.152 19.153 19.000 0.001 0.000 1.025 426 A HN 0.704 nan 8.150 nan 0.000 0.490 427 S N 0.258 115.994 115.700 0.060 0.000 2.555 427 S HA 0.395 4.865 4.470 0.001 0.000 0.293 427 S C 1.305 175.953 174.600 0.081 0.000 1.248 427 S CA 1.269 59.507 58.200 0.063 0.000 1.096 427 S CB -0.357 62.868 63.200 0.041 0.000 0.881 427 S HN 2.242 nan 8.310 nan 0.000 0.498 428 G N 3.491 112.345 108.800 0.090 0.000 2.131 428 G HA2 -0.295 3.666 3.960 0.001 0.000 0.223 428 G HA3 -0.295 3.666 3.960 0.001 0.000 0.223 428 G C 0.308 175.283 174.900 0.125 0.000 0.990 428 G CA 0.385 45.534 45.100 0.081 0.000 0.671 428 G HN 0.780 nan 8.290 nan 0.000 0.521 429 Y N 1.008 121.320 120.300 0.021 0.000 2.314 429 Y HA 0.306 4.857 4.550 0.001 0.000 0.294 429 Y C 0.992 176.906 175.900 0.024 0.000 1.119 429 Y CA 1.202 59.316 58.100 0.023 0.000 1.179 429 Y CB 0.484 38.961 38.460 0.028 0.000 1.025 429 Y HN 0.348 nan 8.280 nan 0.000 0.541 430 N N 0.363 119.035 118.700 -0.047 0.000 2.310 430 N HA 0.050 4.791 4.740 0.001 0.000 0.292 430 N C 0.331 175.822 175.510 -0.032 0.000 1.049 430 N CA 0.067 53.045 53.050 -0.121 0.000 0.849 430 N CB 1.802 40.250 38.487 -0.065 0.000 1.532 430 N HN 0.394 nan 8.380 nan 0.000 0.479 431 E N 2.766 122.934 120.200 -0.054 0.000 2.023 431 E HA -0.207 4.144 4.350 0.001 0.000 0.196 431 E C 0.818 177.390 176.600 -0.046 0.000 1.003 431 E CA 1.620 57.991 56.400 -0.047 0.000 0.809 431 E CB 0.083 29.748 29.700 -0.059 0.000 0.755 431 E HN 0.702 nan 8.360 nan 0.000 0.449 432 E N 0.008 120.191 120.200 -0.028 0.000 2.086 432 E HA -0.247 4.103 4.350 0.001 0.000 0.200 432 E C 2.202 178.833 176.600 0.053 0.000 1.012 432 E CA 1.343 57.728 56.400 -0.026 0.000 0.812 432 E CB -0.207 29.575 29.700 0.135 0.000 0.743 432 E HN 0.256 nan 8.360 nan 0.000 0.453 433 L N 1.381 122.691 121.223 0.145 0.000 2.083 433 L HA -0.181 4.160 4.340 0.001 0.000 0.209 433 L C 1.500 178.454 176.870 0.140 0.000 1.083 433 L CA 1.835 56.798 54.840 0.205 0.000 0.752 433 L CB -0.184 41.973 42.059 0.163 0.000 0.899 433 L HN -0.008 nan 8.230 nan 0.000 0.433 434 D N -0.524 119.915 120.400 0.064 0.000 2.178 434 D HA -0.159 4.481 4.640 0.001 0.000 0.202 434 D C 2.058 178.357 176.300 -0.002 0.000 0.974 434 D CA 1.126 55.148 54.000 0.036 0.000 0.841 434 D CB 0.022 40.831 40.800 0.015 0.000 0.953 434 D HN 0.521 nan 8.370 nan 0.000 0.478 435 E N -0.242 119.909 120.200 -0.083 0.000 2.051 435 E HA -0.156 4.195 4.350 0.001 0.000 0.192 435 E C 2.089 178.584 176.600 -0.176 0.000 0.991 435 E CA 0.783 57.058 56.400 -0.207 0.000 0.799 435 E CB -0.185 29.273 29.700 -0.404 0.000 0.748 435 E HN 0.432 nan 8.360 nan 0.000 0.449 436 W N 0.735 122.039 121.300 0.005 0.000 2.402 436 W HA -0.046 4.614 4.660 0.001 0.000 0.286 436 W C 2.417 178.939 176.519 0.006 0.000 1.221 436 W CA 0.184 57.532 57.345 0.004 0.000 1.257 436 W CB 0.050 29.513 29.460 0.005 0.000 1.120 436 W HN -0.057 nan 8.180 nan 0.000 0.551 437 R N -0.155 120.468 120.500 0.205 0.000 2.153 437 R HA 0.012 4.352 4.340 0.001 0.000 0.218 437 R C 2.278 178.629 176.300 0.085 0.000 1.072 437 R CA 1.121 57.297 56.100 0.126 0.000 0.990 437 R CB -0.426 29.930 30.300 0.094 0.000 0.889 437 R HN 0.103 nan 8.270 nan 0.000 0.452 438 A N 0.721 123.577 122.820 0.061 0.000 1.930 438 A HA -0.012 4.308 4.320 0.001 0.000 0.215 438 A C 2.009 179.620 177.584 0.045 0.000 1.176 438 A CA 0.693 52.751 52.037 0.035 0.000 0.632 438 A CB -0.223 18.779 19.000 0.003 0.000 0.819 438 A HN 0.138 nan 8.150 nan 0.000 0.445 439 L N -0.624 120.634 121.223 0.058 0.000 2.093 439 L HA -0.154 4.187 4.340 0.001 0.000 0.208 439 L C 3.058 179.987 176.870 0.100 0.000 1.085 439 L CA 1.011 55.898 54.840 0.078 0.000 0.755 439 L CB -0.478 41.644 42.059 0.106 0.000 0.904 439 L HN 0.418 nan 8.230 nan 0.000 0.435 440 A N -0.175 122.713 122.820 0.113 0.000 1.877 440 A HA -0.221 4.100 4.320 0.001 0.000 0.216 440 A C 1.977 179.604 177.584 0.072 0.000 1.186 440 A CA 1.909 54.002 52.037 0.092 0.000 0.620 440 A CB -0.502 18.550 19.000 0.086 0.000 0.822 440 A HN 0.336 nan 8.150 nan 0.000 0.443 441 D N -0.415 120.024 120.400 0.064 0.000 2.144 441 D HA -0.078 4.562 4.640 0.001 0.000 0.200 441 D C 2.016 178.350 176.300 0.058 0.000 0.978 441 D CA 1.456 55.486 54.000 0.051 0.000 0.833 441 D CB -0.562 40.262 40.800 0.040 0.000 0.961 441 D HN 0.457 nan 8.370 nan 0.000 0.470 442 G N 0.398 109.239 108.800 0.069 0.000 2.484 442 G HA2 -0.026 3.935 3.960 0.001 0.000 0.218 442 G HA3 -0.026 3.935 3.960 0.001 0.000 0.218 442 G C 1.609 176.592 174.900 0.139 0.000 1.130 442 G CA 0.809 45.962 45.100 0.089 0.000 0.784 442 G HN 0.355 nan 8.290 nan 0.000 0.543 443 A N 0.202 123.103 122.820 0.135 0.000 1.930 443 A HA 0.115 4.435 4.320 0.001 0.000 0.215 443 A C 2.421 180.070 177.584 0.109 0.000 1.176 443 A CA 2.012 54.160 52.037 0.186 0.000 0.632 443 A CB -0.474 18.605 19.000 0.132 0.000 0.819 443 A HN 0.213 nan 8.150 nan 0.000 0.445 444 T N 0.086 114.677 114.554 0.062 0.000 3.023 444 T HA -0.051 4.300 4.350 0.001 0.000 0.266 444 T C 1.214 175.925 174.700 0.019 0.000 1.093 444 T CA 1.282 63.397 62.100 0.026 0.000 1.129 444 T CB -0.206 68.688 68.868 0.044 0.000 0.899 444 T HN 0.381 nan 8.240 nan 0.000 0.491 445 D N 0.126 120.548 120.400 0.037 0.000 2.149 445 D HA 0.011 4.651 4.640 0.001 0.000 0.206 445 D C 1.623 177.909 176.300 -0.023 0.000 0.967 445 D CA 0.590 54.595 54.000 0.009 0.000 0.848 445 D CB -0.391 40.420 40.800 0.019 0.000 0.998 445 D HN 0.331 nan 8.370 nan 0.000 0.474 446 Y N 1.459 121.687 120.300 -0.121 0.000 2.102 446 Y HA -0.238 4.313 4.550 0.001 0.000 0.280 446 Y C 2.127 177.862 175.900 -0.275 0.000 1.178 446 Y CA 1.581 59.534 58.100 -0.245 0.000 1.146 446 Y CB -0.290 37.901 38.460 -0.448 0.000 0.968 446 Y HN -0.052 nan 8.280 nan 0.000 0.504 447 L N -0.649 120.550 121.223 -0.039 0.000 2.179 447 L HA -0.130 4.211 4.340 0.001 0.000 0.208 447 L C 2.213 179.025 176.870 -0.097 0.000 1.096 447 L CA 1.154 55.938 54.840 -0.093 0.000 0.779 447 L CB -0.410 41.537 42.059 -0.188 0.000 0.922 447 L HN 0.179 nan 8.230 nan 0.000 0.443 448 E N 0.032 120.185 120.200 -0.077 0.000 2.153 448 E HA -0.189 4.162 4.350 0.001 0.000 0.194 448 E C 2.233 178.772 176.600 -0.102 0.000 0.988 448 E CA 0.966 57.329 56.400 -0.062 0.000 0.811 448 E CB 0.086 29.762 29.700 -0.040 0.000 0.746 448 E HN 0.329 nan 8.360 nan 0.000 0.466 449 R N -0.045 120.350 120.500 -0.174 0.000 2.200 449 R HA 0.062 4.402 4.340 0.001 0.000 0.208 449 R C 2.318 178.459 176.300 -0.264 0.000 1.033 449 R CA 0.154 56.120 56.100 -0.224 0.000 1.000 449 R CB -0.010 30.109 30.300 -0.302 0.000 0.906 449 R HN 0.179 nan 8.270 nan 0.000 0.462 450 L N 1.060 122.110 121.223 -0.289 0.000 2.141 450 L HA -0.120 4.221 4.340 0.001 0.000 0.209 450 L C 2.287 179.098 176.870 -0.097 0.000 1.094 450 L CA 1.559 56.274 54.840 -0.207 0.000 0.763 450 L CB -0.108 41.874 42.059 -0.127 0.000 0.908 450 L HN 0.173 nan 8.230 nan 0.000 0.437 451 E N -0.600 119.553 120.200 -0.077 0.000 2.072 451 E HA -0.191 4.159 4.350 0.001 0.000 0.191 451 E C 1.991 178.573 176.600 -0.029 0.000 0.985 451 E CA 1.647 58.028 56.400 -0.032 0.000 0.801 451 E CB 0.089 29.777 29.700 -0.021 0.000 0.750 451 E HN 0.440 nan 8.360 nan 0.000 0.452 452 V N 1.103 120.984 119.914 -0.054 0.000 3.041 452 V HA -0.141 3.980 4.120 0.001 0.000 0.260 452 V C 2.404 178.468 176.094 -0.049 0.000 1.105 452 V CA 1.662 63.934 62.300 -0.046 0.000 1.125 452 V CB -0.491 31.299 31.823 -0.056 0.000 0.730 452 V HN 0.238 nan 8.190 nan 0.000 0.479 453 R N 0.284 120.745 120.500 -0.066 0.000 2.066 453 R HA -0.060 4.280 4.340 0.001 0.000 0.224 453 R C 2.205 178.492 176.300 -0.021 0.000 1.122 453 R CA 1.103 57.168 56.100 -0.058 0.000 0.974 453 R CB -0.160 30.083 30.300 -0.095 0.000 0.871 453 R HN 0.331 nan 8.270 nan 0.000 0.435 454 E N 0.801 121.002 120.200 0.000 0.000 2.110 454 E HA -0.215 4.136 4.350 0.001 0.000 0.193 454 E C 1.954 178.574 176.600 0.032 0.000 0.988 454 E CA 1.128 57.557 56.400 0.049 0.000 0.804 454 E CB -0.161 29.603 29.700 0.107 0.000 0.745 454 E HN 0.362 nan 8.360 nan 0.000 0.458 455 R N 0.692 121.202 120.500 0.017 0.000 2.193 455 R HA -0.032 4.309 4.340 0.001 0.000 0.213 455 R C 1.974 178.272 176.300 -0.003 0.000 1.055 455 R CA 0.736 56.843 56.100 0.011 0.000 0.995 455 R CB 0.216 30.523 30.300 0.012 0.000 0.893 455 R HN -0.009 nan 8.270 nan 0.000 0.459 456 E N -0.021 120.172 120.200 -0.011 0.000 2.385 456 E HA -0.056 4.295 4.350 0.001 0.000 0.194 456 E C 1.443 178.033 176.600 -0.017 0.000 1.013 456 E CA 0.135 56.525 56.400 -0.015 0.000 0.866 456 E CB 0.338 30.025 29.700 -0.021 0.000 0.832 456 E HN 0.166 nan 8.360 nan 0.000 0.500 457 R N 0.363 120.854 120.500 -0.016 0.000 2.254 457 R HA -0.001 4.339 4.340 0.001 0.000 0.195 457 R C 1.786 178.066 176.300 -0.033 0.000 0.957 457 R CA 1.322 57.410 56.100 -0.020 0.000 1.024 457 R CB 0.264 30.557 30.300 -0.011 0.000 0.952 457 R HN 0.142 nan 8.270 nan 0.000 0.484 458 T N -4.622 109.911 114.554 -0.035 0.000 3.000 458 T HA 0.163 4.513 4.350 0.001 0.000 0.248 458 T C 1.151 175.827 174.700 -0.041 0.000 1.034 458 T CA 0.623 62.689 62.100 -0.057 0.000 1.060 458 T CB 0.514 69.334 68.868 -0.080 0.000 0.983 458 T HN 0.214 nan 8.240 nan 0.000 0.482 459 G N 1.821 110.607 108.800 -0.024 0.000 2.225 459 G HA2 -0.175 3.785 3.960 0.001 0.000 0.264 459 G HA3 -0.175 3.785 3.960 0.001 0.000 0.264 459 G C -0.195 174.701 174.900 -0.006 0.000 1.060 459 G CA 0.171 45.263 45.100 -0.014 0.000 0.833 459 G HN 0.653 nan 8.290 nan 0.000 0.498 460 L N 1.091 122.312 121.223 -0.002 0.000 2.301 460 L HA 0.328 4.668 4.340 0.001 0.000 0.278 460 L C 1.075 177.959 176.870 0.022 0.000 1.022 460 L CA -0.558 54.289 54.840 0.012 0.000 0.854 460 L CB 1.254 43.319 42.059 0.010 0.000 1.226 460 L HN 0.316 nan 8.230 nan 0.000 0.429 461 D N 0.280 120.694 120.400 0.022 0.000 2.363 461 D HA -0.122 4.519 4.640 0.001 0.000 0.226 461 D C 1.212 177.530 176.300 0.030 0.000 1.020 461 D CA 0.783 54.797 54.000 0.022 0.000 0.892 461 D CB 0.158 40.967 40.800 0.016 0.000 0.900 461 D HN 0.558 nan 8.370 nan 0.000 0.531 462 T N -2.304 112.274 114.554 0.041 0.000 3.054 462 T HA 0.215 4.566 4.350 0.001 0.000 0.255 462 T C 0.820 175.562 174.700 0.069 0.000 1.035 462 T CA -0.666 61.465 62.100 0.051 0.000 0.941 462 T CB -0.197 68.703 68.868 0.053 0.000 1.026 462 T HN 0.089 nan 8.240 nan 0.000 0.533 463 L N 3.027 124.291 121.223 0.068 0.000 2.410 463 L HA 0.400 4.740 4.340 0.001 0.000 0.273 463 L C 0.040 176.955 176.870 0.076 0.000 1.152 463 L CA -0.055 54.838 54.840 0.087 0.000 0.855 463 L CB 0.292 42.399 42.059 0.080 0.000 1.129 463 L HN 0.362 nan 8.230 nan 0.000 0.463 464 K N 3.258 123.715 120.400 0.095 0.000 2.499 464 K HA 0.622 4.942 4.320 0.001 0.000 0.277 464 K C -1.807 174.836 176.600 0.070 0.000 1.025 464 K CA -0.992 55.338 56.287 0.071 0.000 0.900 464 K CB 1.816 34.354 32.500 0.064 0.000 1.494 464 K HN 0.283 nan 8.250 nan 0.000 0.442 465 V N 0.627 120.557 119.914 0.028 0.000 2.417 465 V HA 0.602 4.722 4.120 0.001 0.000 0.291 465 V C 0.150 176.182 176.094 -0.103 0.000 1.024 465 V CA -0.205 62.082 62.300 -0.023 0.000 0.861 465 V CB 1.241 33.075 31.823 0.018 0.000 0.985 465 V HN 0.959 nan 8.190 nan 0.000 0.436 466 G N 2.633 111.162 108.800 -0.451 0.000 3.013 466 G HA2 0.793 4.753 3.960 0.001 0.000 0.278 466 G HA3 0.793 4.753 3.960 0.001 0.000 0.278 466 G C -1.882 172.576 174.900 -0.736 0.000 1.353 466 G CA -0.601 44.177 45.100 -0.536 0.000 1.043 466 G HN 0.500 nan 8.290 nan 0.000 0.523 467 F N 1.039 120.657 119.950 -0.553 0.000 2.581 467 F HA 0.590 5.117 4.527 0.001 0.000 0.311 467 F C -0.917 174.853 175.800 -0.050 0.000 1.113 467 F CA -0.854 56.879 58.000 -0.444 0.000 0.935 467 F CB 2.162 40.736 39.000 -0.710 0.000 1.232 467 F HN 0.786 nan 8.300 nan 0.000 0.445 468 N N 3.331 121.715 118.700 -0.527 0.000 2.853 468 N HA 0.576 5.316 4.740 0.001 0.000 0.258 468 N C -0.360 174.786 175.510 -0.607 0.000 1.444 468 N CA -0.347 52.471 53.050 -0.387 0.000 0.837 468 N CB 1.060 39.528 38.487 -0.031 0.000 1.489 468 N HN 0.547 nan 8.380 nan 0.000 0.529 469 A N -0.107 122.552 122.820 -0.267 0.000 1.933 469 A HA -0.041 4.279 4.320 0.001 0.000 0.218 469 A C 1.711 179.193 177.584 -0.171 0.000 1.175 469 A CA 1.930 53.857 52.037 -0.183 0.000 0.628 469 A CB -1.097 17.868 19.000 -0.058 0.000 0.814 469 A HN 0.467 nan 8.150 nan 0.000 0.444 470 V N -0.740 119.096 119.914 -0.131 0.000 2.407 470 V HA -0.216 3.905 4.120 0.001 0.000 0.248 470 V C 1.973 177.868 176.094 -0.331 0.000 1.055 470 V CA 2.067 64.258 62.300 -0.182 0.000 1.049 470 V CB -0.873 30.895 31.823 -0.092 0.000 0.662 470 V HN 0.720 nan 8.190 nan 0.000 0.455 471 H N -1.745 117.224 119.070 -0.169 0.000 3.360 471 H HA 0.348 4.905 4.556 0.001 0.000 0.262 471 H C 1.516 176.780 175.328 -0.106 0.000 1.149 471 H CA 0.639 56.628 56.048 -0.100 0.000 1.181 471 H CB 1.091 30.824 29.762 -0.049 0.000 1.564 471 H HN 0.469 nan 8.280 nan 0.000 0.565 472 G N 1.402 110.046 108.800 -0.260 0.000 2.596 472 G HA2 -0.347 3.614 3.960 0.001 0.000 0.295 472 G HA3 -0.347 3.614 3.960 0.001 0.000 0.295 472 G C -0.318 174.381 174.900 -0.336 0.000 1.240 472 G CA 0.325 45.173 45.100 -0.420 0.000 0.985 472 G HN 0.318 nan 8.290 nan 0.000 0.555 473 Y N 0.671 121.056 120.300 0.142 0.000 2.299 473 Y HA 0.575 5.125 4.550 0.001 0.000 0.335 473 Y C 0.728 176.682 175.900 0.091 0.000 1.287 473 Y CA 1.069 59.219 58.100 0.084 0.000 1.424 473 Y CB 1.009 39.553 38.460 0.140 0.000 1.326 473 Y HN 0.852 nan 8.280 nan 0.000 0.567 474 Y N -1.645 118.790 120.300 0.226 0.000 2.521 474 Y HA 0.563 5.113 4.550 0.001 0.000 0.328 474 Y C -1.715 174.245 175.900 0.100 0.000 1.151 474 Y CA -1.976 56.190 58.100 0.110 0.000 1.054 474 Y CB 0.014 38.480 38.460 0.011 0.000 1.338 474 Y HN 0.367 nan 8.280 nan 0.000 0.453 475 I N 3.251 123.959 120.570 0.229 0.000 2.575 475 I HA 0.250 4.421 4.170 0.001 0.000 0.285 475 I C -0.067 176.290 176.117 0.400 0.000 1.085 475 I CA 0.080 61.496 61.300 0.194 0.000 1.403 475 I CB 1.266 39.264 38.000 -0.004 0.000 1.409 475 I HN 0.721 nan 8.210 nan 0.000 0.557 476 Q N 6.254 126.265 119.800 0.353 0.000 2.310 476 Q HA 0.510 4.850 4.340 0.001 0.000 0.270 476 Q C -1.494 174.665 176.000 0.265 0.000 1.025 476 Q CA -0.707 55.302 55.803 0.343 0.000 0.772 476 Q CB 1.164 30.102 28.738 0.334 0.000 1.253 476 Q HN 0.433 nan 8.270 nan 0.000 0.450 477 I N 2.248 123.004 120.570 0.311 0.000 2.676 477 I HA 0.336 4.507 4.170 0.001 0.000 0.309 477 I C 0.682 176.904 176.117 0.176 0.000 0.990 477 I CA -0.587 60.847 61.300 0.224 0.000 1.168 477 I CB 1.327 39.470 38.000 0.239 0.000 1.343 477 I HN 0.792 nan 8.210 nan 0.000 0.482 478 S N 4.276 120.048 115.700 0.120 0.000 2.603 478 S HA 0.271 4.741 4.470 0.001 0.000 0.268 478 S C 1.219 175.867 174.600 0.079 0.000 1.317 478 S CA -0.436 57.813 58.200 0.082 0.000 1.012 478 S CB 1.295 64.529 63.200 0.057 0.000 0.926 478 S HN 0.722 nan 8.310 nan 0.000 0.539 479 R N 1.298 121.826 120.500 0.046 0.000 2.096 479 R HA -0.104 4.236 4.340 0.001 0.000 0.240 479 R C 2.213 178.517 176.300 0.006 0.000 1.139 479 R CA 1.969 58.086 56.100 0.029 0.000 0.952 479 R CB -1.440 28.862 30.300 0.003 0.000 0.854 479 R HN 0.857 nan 8.270 nan 0.000 0.436 480 G N -0.026 108.767 108.800 -0.011 0.000 2.442 480 G HA2 -0.255 3.705 3.960 0.001 0.000 0.219 480 G HA3 -0.255 3.705 3.960 0.001 0.000 0.219 480 G C 1.203 176.071 174.900 -0.052 0.000 1.141 480 G CA 0.636 45.702 45.100 -0.057 0.000 0.763 480 G HN 0.464 nan 8.290 nan 0.000 0.554 481 Q N 0.355 120.182 119.800 0.044 0.000 2.408 481 Q HA 0.037 4.377 4.340 0.001 0.000 0.205 481 Q C 2.671 178.792 176.000 0.202 0.000 0.919 481 Q CA 0.699 56.575 55.803 0.123 0.000 0.932 481 Q CB 0.313 29.104 28.738 0.088 0.000 1.058 481 Q HN 0.619 nan 8.270 nan 0.000 0.517 482 S N 0.936 116.745 115.700 0.182 0.000 2.474 482 S HA -0.151 4.319 4.470 0.001 0.000 0.235 482 S C 1.766 176.516 174.600 0.248 0.000 0.997 482 S CA 1.023 59.356 58.200 0.222 0.000 0.949 482 S CB -0.437 62.914 63.200 0.252 0.000 0.766 482 S HN 0.537 nan 8.310 nan 0.000 0.517 483 H N 2.009 121.108 119.070 0.048 0.000 2.559 483 H HA 0.179 4.736 4.556 0.001 0.000 0.273 483 H C 0.925 176.249 175.328 -0.006 0.000 1.000 483 H CA 0.346 56.412 56.048 0.029 0.000 1.195 483 H CB -0.753 29.021 29.762 0.021 0.000 1.368 483 H HN 0.530 nan 8.280 nan 0.000 0.592 484 L N 0.598 121.755 121.223 -0.111 0.000 2.984 484 L HA 0.548 4.888 4.340 0.001 0.000 0.246 484 L C 0.710 177.461 176.870 -0.199 0.000 1.268 484 L CA -0.385 54.319 54.840 -0.227 0.000 1.054 484 L CB 0.243 42.177 42.059 -0.208 0.000 1.393 484 L HN 0.142 nan 8.230 nan 0.000 0.532 485 A N 0.624 123.331 122.820 -0.190 0.000 2.401 485 A HA 0.556 4.876 4.320 0.001 0.000 0.259 485 A C -2.079 175.224 177.584 -0.467 0.000 1.103 485 A CA -1.039 50.746 52.037 -0.420 0.000 0.789 485 A CB -0.261 18.495 19.000 -0.407 0.000 1.035 485 A HN 0.064 nan 8.150 nan 0.000 0.491 486 P HA 0.005 nan 4.420 nan 0.000 0.266 486 P C 0.626 177.754 177.300 -0.288 0.000 1.193 486 P CA -0.009 62.779 63.100 -0.520 0.000 0.770 486 P CB 0.177 31.458 31.700 -0.699 0.000 0.836 487 I N -0.082 120.417 120.570 -0.118 0.000 3.291 487 I HA -0.060 4.110 4.170 0.001 0.000 0.279 487 I C 1.458 177.609 176.117 0.057 0.000 1.294 487 I CA 0.874 62.165 61.300 -0.016 0.000 1.428 487 I CB -1.524 36.470 38.000 -0.010 0.000 1.070 487 I HN 0.277 nan 8.210 nan 0.000 0.478 488 N N 0.174 118.927 118.700 0.088 0.000 2.422 488 N HA -0.131 4.610 4.740 0.001 0.000 0.181 488 N C 0.062 175.742 175.510 0.284 0.000 1.080 488 N CA 0.164 53.313 53.050 0.165 0.000 0.893 488 N CB -0.303 38.273 38.487 0.149 0.000 0.973 488 N HN 0.287 nan 8.380 nan 0.000 0.456 489 Y N 1.933 122.250 120.300 0.029 0.000 2.465 489 Y HA 0.248 4.798 4.550 0.001 0.000 0.331 489 Y C 0.889 176.923 175.900 0.225 0.000 1.102 489 Y CA -0.654 57.493 58.100 0.077 0.000 1.358 489 Y CB 0.460 38.829 38.460 -0.152 0.000 1.213 489 Y HN -0.080 nan 8.280 nan 0.000 0.525 490 M N 5.109 124.914 119.600 0.342 0.000 2.129 490 M HA 0.427 4.908 4.480 0.001 0.000 0.348 490 M C -0.133 176.309 176.300 0.237 0.000 1.116 490 M CA -0.583 54.870 55.300 0.255 0.000 1.022 490 M CB 1.202 33.891 32.600 0.149 0.000 1.599 490 M HN 0.473 nan 8.290 nan 0.000 0.449 491 R N 1.869 122.442 120.500 0.122 0.000 2.491 491 R HA 0.228 4.568 4.340 0.001 0.000 0.283 491 R C 0.778 177.031 176.300 -0.079 0.000 1.072 491 R CA -0.130 55.873 56.100 -0.161 0.000 1.048 491 R CB 0.944 31.118 30.300 -0.211 0.000 0.983 491 R HN 0.545 nan 8.270 nan 0.000 0.450 492 R N 1.135 121.571 120.500 -0.107 0.000 2.453 492 R HA 0.127 4.467 4.340 0.001 0.000 0.233 492 R C -0.178 176.142 176.300 0.033 0.000 0.895 492 R CA 0.209 56.325 56.100 0.028 0.000 1.028 492 R CB 0.723 31.143 30.300 0.200 0.000 1.255 492 R HN 0.610 nan 8.270 nan 0.000 0.571 493 Q N 0.160 119.864 119.800 -0.160 0.000 2.364 493 Q HA 0.230 4.571 4.340 0.001 0.000 0.257 493 Q C -1.615 174.245 176.000 -0.232 0.000 0.956 493 Q CA -0.082 55.615 55.803 -0.177 0.000 0.924 493 Q CB 2.283 30.839 28.738 -0.303 0.000 1.413 493 Q HN -0.129 nan 8.270 nan 0.000 0.418 494 T N 4.675 119.137 114.554 -0.154 0.000 2.743 494 T HA 0.462 4.812 4.350 0.001 0.000 0.292 494 T C 0.137 174.770 174.700 -0.112 0.000 0.972 494 T CA -0.313 61.706 62.100 -0.134 0.000 0.967 494 T CB 0.231 69.044 68.868 -0.092 0.000 0.926 494 T HN 0.387 nan 8.240 nan 0.000 0.459 495 L N 2.434 123.589 121.223 -0.114 0.000 2.569 495 L HA 0.480 4.820 4.340 0.001 0.000 0.247 495 L C 2.088 178.926 176.870 -0.054 0.000 1.135 495 L CA -0.874 53.915 54.840 -0.084 0.000 0.812 495 L CB 0.384 42.390 42.059 -0.088 0.000 1.431 495 L HN 0.538 nan 8.230 nan 0.000 0.499 496 K N 0.342 120.718 120.400 -0.039 0.000 2.062 496 K HA -0.120 4.200 4.320 0.001 0.000 0.205 496 K C 1.136 177.724 176.600 -0.020 0.000 1.051 496 K CA 1.649 57.920 56.287 -0.027 0.000 0.941 496 K CB 0.130 32.617 32.500 -0.021 0.000 0.719 496 K HN 0.519 nan 8.250 nan 0.000 0.440 497 N N -0.751 117.939 118.700 -0.016 0.000 2.184 497 N HA 0.155 4.895 4.740 0.001 0.000 0.206 497 N C -0.976 174.536 175.510 0.003 0.000 1.151 497 N CA -0.065 52.981 53.050 -0.006 0.000 0.878 497 N CB 1.090 39.576 38.487 -0.001 0.000 1.014 497 N HN 0.194 nan 8.380 nan 0.000 0.512 498 A N -0.590 122.226 122.820 -0.006 0.000 2.486 498 A HA 0.759 5.079 4.320 0.001 0.000 0.289 498 A C -1.231 176.342 177.584 -0.018 0.000 1.176 498 A CA -0.658 51.386 52.037 0.010 0.000 0.757 498 A CB 1.260 20.270 19.000 0.015 0.000 1.337 498 A HN 0.130 nan 8.150 nan 0.000 0.423 499 E N 0.647 120.853 120.200 0.010 0.000 2.317 499 E HA 0.524 4.875 4.350 0.001 0.000 0.270 499 E C -1.160 175.362 176.600 -0.130 0.000 0.885 499 E CA -0.815 55.515 56.400 -0.115 0.000 0.760 499 E CB 2.120 31.729 29.700 -0.152 0.000 1.227 499 E HN 0.598 nan 8.360 nan 0.000 0.434 500 R N 1.420 121.701 120.500 -0.365 0.000 2.778 500 R HA 0.644 4.984 4.340 0.001 0.000 0.277 500 R C -0.829 175.242 176.300 -0.383 0.000 0.977 500 R CA -0.812 55.132 56.100 -0.260 0.000 0.950 500 R CB 1.284 31.245 30.300 -0.564 0.000 1.165 500 R HN 0.519 nan 8.270 nan 0.000 0.474 501 Y N 0.615 120.928 120.300 0.022 0.000 2.615 501 Y HA 0.561 5.111 4.550 0.001 0.000 0.341 501 Y C 0.174 176.090 175.900 0.027 0.000 1.089 501 Y CA -1.232 56.887 58.100 0.031 0.000 1.049 501 Y CB 1.799 40.280 38.460 0.034 0.000 1.296 501 Y HN 0.516 nan 8.280 nan 0.000 0.470 502 I N 1.226 121.905 120.570 0.183 0.000 2.689 502 I HA 0.855 5.026 4.170 0.001 0.000 0.299 502 I C -1.135 174.999 176.117 0.029 0.000 1.059 502 I CA -1.129 60.234 61.300 0.104 0.000 1.055 502 I CB 2.447 40.527 38.000 0.133 0.000 1.243 502 I HN 0.656 nan 8.210 nan 0.000 0.425 503 I N 0.906 121.467 120.570 -0.015 0.000 3.002 503 I HA 0.645 4.816 4.170 0.001 0.000 0.310 503 I C -2.351 173.791 176.117 0.041 0.000 1.087 503 I CA -2.292 59.005 61.300 -0.004 0.000 1.017 503 I CB 1.769 39.724 38.000 -0.074 0.000 1.226 503 I HN 0.280 nan 8.210 nan 0.000 0.443 504 P HA -0.165 nan 4.420 nan 0.000 0.216 504 P C 1.330 178.669 177.300 0.065 0.000 1.153 504 P CA 1.327 64.460 63.100 0.055 0.000 0.848 504 P CB 0.134 31.864 31.700 0.050 0.000 0.787 505 E N -0.553 119.696 120.200 0.081 0.000 2.160 505 E HA -0.202 4.148 4.350 0.001 0.000 0.195 505 E C 1.839 178.533 176.600 0.156 0.000 0.991 505 E CA 0.762 57.241 56.400 0.132 0.000 0.810 505 E CB -0.503 29.277 29.700 0.133 0.000 0.742 505 E HN 0.049 nan 8.360 nan 0.000 0.466 506 L N 0.753 122.032 121.223 0.093 0.000 2.109 506 L HA -0.079 4.262 4.340 0.001 0.000 0.207 506 L C 2.122 179.057 176.870 0.108 0.000 1.086 506 L CA 1.541 56.430 54.840 0.081 0.000 0.760 506 L CB -0.060 42.036 42.059 0.061 0.000 0.910 506 L HN -0.071 nan 8.230 nan 0.000 0.437 507 K N -0.593 119.870 120.400 0.105 0.000 2.228 507 K HA -0.078 4.242 4.320 0.001 0.000 0.202 507 K C 2.034 178.672 176.600 0.063 0.000 1.051 507 K CA 0.756 57.107 56.287 0.107 0.000 0.960 507 K CB -0.014 32.538 32.500 0.086 0.000 0.743 507 K HN 0.327 nan 8.250 nan 0.000 0.458 508 E N -0.823 119.395 120.200 0.029 0.000 2.051 508 E HA -0.189 4.162 4.350 0.001 0.000 0.192 508 E C 1.218 177.708 176.600 -0.184 0.000 0.991 508 E CA 1.281 57.629 56.400 -0.087 0.000 0.799 508 E CB -0.031 29.585 29.700 -0.140 0.000 0.748 508 E HN 0.365 nan 8.360 nan 0.000 0.449 509 Y N 0.783 121.001 120.300 -0.137 0.000 2.457 509 Y HA -0.058 4.492 4.550 0.001 0.000 0.292 509 Y C 2.271 178.082 175.900 -0.149 0.000 1.125 509 Y CA 1.166 59.153 58.100 -0.189 0.000 1.254 509 Y CB -0.019 38.270 38.460 -0.284 0.000 1.012 509 Y HN 0.187 nan 8.280 nan 0.000 0.555 510 E N 0.484 120.712 120.200 0.047 0.000 2.110 510 E HA -0.241 4.109 4.350 0.001 0.000 0.193 510 E C 1.327 178.028 176.600 0.167 0.000 0.988 510 E CA 1.562 58.085 56.400 0.205 0.000 0.804 510 E CB -0.022 29.921 29.700 0.404 0.000 0.745 510 E HN 0.354 nan 8.360 nan 0.000 0.458 511 D N 0.602 121.044 120.400 0.071 0.000 2.117 511 D HA -0.139 4.502 4.640 0.001 0.000 0.197 511 D C 1.859 178.163 176.300 0.006 0.000 0.987 511 D CA 1.045 55.063 54.000 0.030 0.000 0.829 511 D CB -0.014 40.774 40.800 -0.020 0.000 0.961 511 D HN 0.189 nan 8.370 nan 0.000 0.460 512 K N 0.266 120.640 120.400 -0.042 0.000 2.097 512 K HA -0.076 4.244 4.320 0.001 0.000 0.206 512 K C 2.177 178.798 176.600 0.034 0.000 1.049 512 K CA 0.655 56.922 56.287 -0.032 0.000 0.933 512 K CB -0.120 32.318 32.500 -0.104 0.000 0.717 512 K HN 0.077 nan 8.250 nan 0.000 0.442 513 V N 1.320 121.267 119.914 0.056 0.000 2.323 513 V HA -0.197 3.924 4.120 0.001 0.000 0.244 513 V C 2.186 178.315 176.094 0.057 0.000 1.041 513 V CA 1.326 63.671 62.300 0.075 0.000 1.025 513 V CB -0.296 31.601 31.823 0.124 0.000 0.656 513 V HN 0.150 nan 8.190 nan 0.000 0.451 514 L N 0.221 121.488 121.223 0.073 0.000 2.240 514 L HA -0.074 4.267 4.340 0.001 0.000 0.211 514 L C 2.575 179.445 176.870 0.000 0.000 1.106 514 L CA 2.180 57.048 54.840 0.047 0.000 0.793 514 L CB -0.802 41.318 42.059 0.103 0.000 0.927 514 L HN 0.518 nan 8.230 nan 0.000 0.446 515 T N -3.900 110.650 114.554 -0.007 0.000 2.809 515 T HA -0.090 4.260 4.350 0.001 0.000 0.260 515 T C 2.101 176.729 174.700 -0.120 0.000 1.039 515 T CA 1.202 63.263 62.100 -0.065 0.000 1.141 515 T CB -0.485 68.354 68.868 -0.047 0.000 0.869 515 T HN 0.127 nan 8.240 nan 0.000 0.437 516 S N 1.404 117.092 115.700 -0.020 0.000 2.365 516 S HA -0.138 4.333 4.470 0.001 0.000 0.221 516 S C 2.140 176.728 174.600 -0.020 0.000 1.037 516 S CA 1.307 59.540 58.200 0.054 0.000 1.060 516 S CB -0.355 62.958 63.200 0.188 0.000 0.974 516 S HN 0.464 nan 8.310 nan 0.000 0.427 517 K N 0.069 120.469 120.400 -0.000 0.000 2.089 517 K HA -0.161 4.159 4.320 0.001 0.000 0.210 517 K C 2.221 178.781 176.600 -0.066 0.000 1.048 517 K CA 1.391 57.666 56.287 -0.020 0.000 0.926 517 K CB -0.675 31.808 32.500 -0.028 0.000 0.714 517 K HN 0.482 nan 8.250 nan 0.000 0.448 518 G N 1.274 110.016 108.800 -0.097 0.000 2.408 518 G HA2 -0.230 3.731 3.960 0.001 0.000 0.217 518 G HA3 -0.230 3.731 3.960 0.001 0.000 0.217 518 G C 1.343 176.131 174.900 -0.188 0.000 1.150 518 G CA 0.646 45.676 45.100 -0.117 0.000 0.776 518 G HN 0.246 nan 8.290 nan 0.000 0.542 519 K N 0.568 120.770 120.400 -0.331 0.000 2.057 519 K HA 0.159 4.479 4.320 0.001 0.000 0.206 519 K C 2.809 179.177 176.600 -0.386 0.000 1.050 519 K CA 0.942 56.904 56.287 -0.541 0.000 0.935 519 K CB -0.163 31.596 32.500 -1.234 0.000 0.715 519 K HN 0.236 nan 8.250 nan 0.000 0.439 520 A N 0.820 123.503 122.820 -0.227 0.000 2.067 520 A HA -0.088 4.233 4.320 0.001 0.000 0.219 520 A C 1.962 179.537 177.584 -0.014 0.000 1.158 520 A CA 0.947 52.976 52.037 -0.015 0.000 0.661 520 A CB -0.244 18.812 19.000 0.093 0.000 0.801 520 A HN 0.216 nan 8.150 nan 0.000 0.452 521 L N -0.912 120.279 121.223 -0.053 0.000 2.168 521 L HA 0.269 4.610 4.340 0.001 0.000 0.203 521 L C 2.564 179.412 176.870 -0.037 0.000 1.078 521 L CA 1.786 56.603 54.840 -0.038 0.000 0.780 521 L CB -0.894 41.139 42.059 -0.044 0.000 0.939 521 L HN 0.253 nan 8.230 nan 0.000 0.451 522 A N -0.334 122.449 122.820 -0.061 0.000 1.917 522 A HA -0.230 4.090 4.320 0.001 0.000 0.219 522 A C 2.243 179.818 177.584 -0.015 0.000 1.182 522 A CA 2.199 54.209 52.037 -0.046 0.000 0.633 522 A CB -0.983 17.971 19.000 -0.078 0.000 0.819 522 A HN 0.462 nan 8.150 nan 0.000 0.448 523 L N -0.293 120.922 121.223 -0.014 0.000 2.109 523 L HA -0.073 4.267 4.340 0.001 0.000 0.207 523 L C 2.268 179.178 176.870 0.067 0.000 1.086 523 L CA 1.971 56.834 54.840 0.039 0.000 0.760 523 L CB -0.536 41.569 42.059 0.075 0.000 0.910 523 L HN 0.485 nan 8.230 nan 0.000 0.437 524 E N -0.463 119.769 120.200 0.053 0.000 2.058 524 E HA -0.301 4.050 4.350 0.001 0.000 0.194 524 E C 2.150 178.790 176.600 0.067 0.000 0.997 524 E CA 1.704 58.139 56.400 0.058 0.000 0.801 524 E CB -0.044 29.665 29.700 0.015 0.000 0.746 524 E HN 0.448 nan 8.360 nan 0.000 0.450 525 K N 0.329 120.753 120.400 0.041 0.000 2.032 525 K HA -0.170 4.150 4.320 0.001 0.000 0.209 525 K C 2.306 178.971 176.600 0.107 0.000 1.048 525 K CA 1.238 57.565 56.287 0.066 0.000 0.927 525 K CB 0.007 32.528 32.500 0.035 0.000 0.712 525 K HN 0.020 nan 8.250 nan 0.000 0.441 526 Q N 0.567 120.414 119.800 0.079 0.000 2.084 526 Q HA -0.113 4.228 4.340 0.001 0.000 0.202 526 Q C 2.255 178.308 176.000 0.089 0.000 0.978 526 Q CA 1.319 57.167 55.803 0.076 0.000 0.844 526 Q CB -0.239 28.534 28.738 0.058 0.000 0.898 526 Q HN 0.367 nan 8.270 nan 0.000 0.426 527 L N -0.673 120.620 121.223 0.115 0.000 2.083 527 L HA -0.204 4.136 4.340 0.001 0.000 0.209 527 L C 2.389 179.331 176.870 0.119 0.000 1.083 527 L CA 1.235 56.167 54.840 0.154 0.000 0.752 527 L CB -0.504 41.691 42.059 0.227 0.000 0.899 527 L HN 0.179 nan 8.230 nan 0.000 0.433 528 Y N 0.812 121.084 120.300 -0.047 0.000 2.200 528 Y HA -0.194 4.356 4.550 0.001 0.000 0.290 528 Y C 2.588 178.324 175.900 -0.273 0.000 1.137 528 Y CA 1.353 59.349 58.100 -0.172 0.000 1.163 528 Y CB 0.060 38.417 38.460 -0.172 0.000 0.988 528 Y HN 0.103 nan 8.280 nan 0.000 0.518 529 E N 0.425 120.575 120.200 -0.083 0.000 2.204 529 E HA -0.235 4.116 4.350 0.001 0.000 0.195 529 E C 1.847 178.408 176.600 -0.064 0.000 0.990 529 E CA 1.214 57.576 56.400 -0.063 0.000 0.821 529 E CB -0.225 29.539 29.700 0.106 0.000 0.750 529 E HN 0.663 nan 8.360 nan 0.000 0.477 530 E N 0.245 120.416 120.200 -0.048 0.000 2.427 530 E HA -0.052 4.299 4.350 0.001 0.000 0.196 530 E C 1.953 178.522 176.600 -0.051 0.000 1.028 530 E CA -0.005 56.391 56.400 -0.007 0.000 0.864 530 E CB 0.131 29.858 29.700 0.045 0.000 0.813 530 E HN 0.216 nan 8.360 nan 0.000 0.514 531 L N -0.281 120.822 121.223 -0.200 0.000 2.131 531 L HA -0.099 4.241 4.340 0.001 0.000 0.206 531 L C 2.004 178.771 176.870 -0.172 0.000 1.087 531 L CA 0.511 55.210 54.840 -0.234 0.000 0.767 531 L CB -0.308 41.507 42.059 -0.408 0.000 0.917 531 L HN 0.129 nan 8.230 nan 0.000 0.441 532 F N 0.845 120.670 119.950 -0.208 0.000 2.126 532 F HA -0.223 4.304 4.527 0.001 0.000 0.299 532 F C 2.270 178.004 175.800 -0.109 0.000 1.096 532 F CA 1.021 58.923 58.000 -0.163 0.000 1.255 532 F CB -0.895 38.012 39.000 -0.156 0.000 0.997 532 F HN 0.142 nan 8.300 nan 0.000 0.479 533 D N 0.188 120.651 120.400 0.105 0.000 2.092 533 D HA -0.173 4.468 4.640 0.001 0.000 0.193 533 D C 2.429 178.723 176.300 -0.010 0.000 0.994 533 D CA 1.306 55.329 54.000 0.039 0.000 0.828 533 D CB -0.636 40.184 40.800 0.033 0.000 0.963 533 D HN 0.227 nan 8.370 nan 0.000 0.450 534 L N -0.272 120.942 121.223 -0.014 0.000 2.313 534 L HA -0.058 4.282 4.340 0.001 0.000 0.214 534 L C 1.891 178.690 176.870 -0.119 0.000 1.119 534 L CA 0.075 54.888 54.840 -0.045 0.000 0.809 534 L CB 0.040 42.106 42.059 0.013 0.000 0.933 534 L HN 0.045 nan 8.230 nan 0.000 0.449 535 L N -0.755 120.427 121.223 -0.068 0.000 2.145 535 L HA -0.049 4.292 4.340 0.001 0.000 0.201 535 L C 2.239 179.031 176.870 -0.129 0.000 1.075 535 L CA 1.439 56.244 54.840 -0.059 0.000 0.773 535 L CB -0.728 41.352 42.059 0.035 0.000 0.936 535 L HN 0.101 nan 8.230 nan 0.000 0.451 536 L N -0.033 121.144 121.223 -0.078 0.000 2.129 536 L HA -0.200 4.141 4.340 0.001 0.000 0.212 536 L C -0.337 176.480 176.870 -0.089 0.000 1.087 536 L CA 1.226 56.027 54.840 -0.065 0.000 0.757 536 L CB -1.353 40.680 42.059 -0.044 0.000 0.896 536 L HN 0.261 nan 8.230 nan 0.000 0.434 537 P HA -0.143 nan 4.420 nan 0.000 0.220 537 P C 0.696 178.012 177.300 0.028 0.000 1.148 537 P CA 1.333 64.364 63.100 -0.114 0.000 0.803 537 P CB -0.078 31.514 31.700 -0.180 0.000 0.782 538 H N -1.749 117.362 119.070 0.068 0.000 2.517 538 H HA 0.186 4.743 4.556 0.001 0.000 0.282 538 H C 1.663 177.030 175.328 0.065 0.000 1.023 538 H CA -0.584 55.520 56.048 0.094 0.000 1.169 538 H CB -0.675 29.166 29.762 0.131 0.000 1.454 538 H HN 0.056 nan 8.280 nan 0.000 0.556 539 L N 1.449 122.737 121.223 0.108 0.000 2.021 539 L HA -0.219 4.121 4.340 0.001 0.000 0.215 539 L C 2.392 179.323 176.870 0.102 0.000 1.074 539 L CA 2.004 56.888 54.840 0.073 0.000 0.760 539 L CB -0.315 41.773 42.059 0.048 0.000 0.889 539 L HN 0.242 nan 8.230 nan 0.000 0.433 540 E N -0.740 119.535 120.200 0.124 0.000 2.033 540 E HA -0.310 4.041 4.350 0.001 0.000 0.199 540 E C 2.080 178.770 176.600 0.150 0.000 1.011 540 E CA 1.624 58.101 56.400 0.128 0.000 0.815 540 E CB -0.336 29.437 29.700 0.122 0.000 0.755 540 E HN 0.645 nan 8.360 nan 0.000 0.451 541 A N 0.591 123.532 122.820 0.202 0.000 1.933 541 A HA -0.140 4.180 4.320 0.001 0.000 0.218 541 A C 2.210 179.992 177.584 0.330 0.000 1.175 541 A CA 1.138 53.351 52.037 0.293 0.000 0.628 541 A CB -0.601 18.643 19.000 0.407 0.000 0.814 541 A HN 0.319 nan 8.150 nan 0.000 0.444 542 L N -0.971 120.329 121.223 0.128 0.000 2.046 542 L HA -0.261 4.079 4.340 0.001 0.000 0.208 542 L C 2.895 179.799 176.870 0.057 0.000 1.077 542 L CA 1.637 56.436 54.840 -0.069 0.000 0.747 542 L CB -0.572 41.408 42.059 -0.130 0.000 0.896 542 L HN 0.485 nan 8.230 nan 0.000 0.432 543 Q N -0.548 119.304 119.800 0.086 0.000 2.079 543 Q HA -0.238 4.102 4.340 0.001 0.000 0.200 543 Q C 2.265 178.330 176.000 0.107 0.000 0.974 543 Q CA 1.301 57.159 55.803 0.092 0.000 0.840 543 Q CB -0.099 28.699 28.738 0.099 0.000 0.898 543 Q HN 0.546 nan 8.270 nan 0.000 0.430 544 Q N -0.185 119.691 119.800 0.127 0.000 2.135 544 Q HA -0.181 4.160 4.340 0.001 0.000 0.204 544 Q C 2.214 178.300 176.000 0.143 0.000 0.981 544 Q CA 1.415 57.294 55.803 0.126 0.000 0.856 544 Q CB -0.124 28.689 28.738 0.126 0.000 0.902 544 Q HN 0.206 nan 8.270 nan 0.000 0.425 545 S N 0.170 115.985 115.700 0.192 0.000 2.335 545 S HA -0.155 4.315 4.470 0.001 0.000 0.216 545 S C 2.058 176.743 174.600 0.143 0.000 1.032 545 S CA 1.130 59.458 58.200 0.213 0.000 1.000 545 S CB -0.304 63.096 63.200 0.335 0.000 0.928 545 S HN 0.461 nan 8.310 nan 0.000 0.434 546 A N 0.609 123.496 122.820 0.112 0.000 1.958 546 A HA -0.132 4.188 4.320 0.001 0.000 0.221 546 A C 2.441 180.067 177.584 0.071 0.000 1.178 546 A CA 2.465 54.548 52.037 0.077 0.000 0.642 546 A CB -1.363 17.670 19.000 0.055 0.000 0.816 546 A HN 0.644 nan 8.150 nan 0.000 0.453 547 S N -0.762 114.988 115.700 0.083 0.000 2.357 547 S HA 0.082 4.553 4.470 0.001 0.000 0.221 547 S C 2.167 176.819 174.600 0.086 0.000 1.031 547 S CA 1.401 59.652 58.200 0.084 0.000 0.982 547 S CB -0.462 62.793 63.200 0.093 0.000 0.853 547 S HN 0.847 nan 8.310 nan 0.000 0.458 548 A N 1.328 124.202 122.820 0.090 0.000 1.930 548 A HA 0.173 4.493 4.320 0.001 0.000 0.217 548 A C 2.206 179.832 177.584 0.069 0.000 1.175 548 A CA 1.148 53.235 52.037 0.083 0.000 0.627 548 A CB -0.758 18.291 19.000 0.082 0.000 0.815 548 A HN 0.567 nan 8.150 nan 0.000 0.443 549 L N -0.735 120.529 121.223 0.070 0.000 2.083 549 L HA -0.189 4.151 4.340 0.001 0.000 0.209 549 L C 3.063 179.949 176.870 0.027 0.000 1.083 549 L CA 0.954 55.826 54.840 0.053 0.000 0.752 549 L CB -0.465 41.633 42.059 0.066 0.000 0.899 549 L HN 0.445 nan 8.230 nan 0.000 0.433 550 A N -0.142 122.694 122.820 0.026 0.000 1.855 550 A HA -0.265 4.055 4.320 0.001 0.000 0.215 550 A C 2.258 179.818 177.584 -0.040 0.000 1.191 550 A CA 1.862 53.894 52.037 -0.008 0.000 0.613 550 A CB -0.545 18.458 19.000 0.006 0.000 0.829 550 A HN 0.444 nan 8.150 nan 0.000 0.442 551 E N -0.598 119.610 120.200 0.014 0.000 2.058 551 E HA -0.209 4.141 4.350 0.001 0.000 0.194 551 E C 1.915 178.513 176.600 -0.004 0.000 0.997 551 E CA 1.317 57.736 56.400 0.032 0.000 0.801 551 E CB -0.228 29.580 29.700 0.180 0.000 0.746 551 E HN 0.462 nan 8.360 nan 0.000 0.450 552 L N 1.221 122.454 121.223 0.016 0.000 2.079 552 L HA -0.202 4.138 4.340 0.001 0.000 0.210 552 L C 2.033 178.886 176.870 -0.027 0.000 1.081 552 L CA 2.023 56.866 54.840 0.004 0.000 0.752 552 L CB -0.307 41.759 42.059 0.012 0.000 0.896 552 L HN 0.201 nan 8.230 nan 0.000 0.433 553 D N -1.155 119.219 120.400 -0.043 0.000 2.144 553 D HA -0.168 4.472 4.640 0.001 0.000 0.199 553 D C 2.124 178.363 176.300 -0.103 0.000 0.984 553 D CA 1.454 55.417 54.000 -0.061 0.000 0.834 553 D CB 0.054 40.817 40.800 -0.062 0.000 0.955 553 D HN 0.217 nan 8.370 nan 0.000 0.465 554 V N 0.301 120.111 119.914 -0.173 0.000 2.379 554 V HA -0.158 3.963 4.120 0.001 0.000 0.245 554 V C 2.633 178.619 176.094 -0.181 0.000 1.044 554 V CA 1.100 63.229 62.300 -0.286 0.000 1.036 554 V CB -0.289 31.149 31.823 -0.641 0.000 0.664 554 V HN 0.251 nan 8.190 nan 0.000 0.453 555 L N -0.853 120.313 121.223 -0.095 0.000 2.095 555 L HA -0.053 4.288 4.340 0.001 0.000 0.204 555 L C 2.447 179.300 176.870 -0.028 0.000 1.080 555 L CA 0.685 55.520 54.840 -0.009 0.000 0.759 555 L CB -0.565 41.530 42.059 0.059 0.000 0.914 555 L HN 0.148 nan 8.230 nan 0.000 0.439 556 V N 0.889 120.784 119.914 -0.032 0.000 2.392 556 V HA -0.324 3.796 4.120 0.001 0.000 0.249 556 V C 2.256 178.326 176.094 -0.041 0.000 1.059 556 V CA 2.352 64.634 62.300 -0.030 0.000 1.051 556 V CB -0.821 30.991 31.823 -0.018 0.000 0.658 556 V HN 0.599 nan 8.190 nan 0.000 0.455 557 N N 0.192 118.859 118.700 -0.054 0.000 2.135 557 N HA -0.107 4.633 4.740 0.001 0.000 0.186 557 N C 1.721 177.199 175.510 -0.054 0.000 1.027 557 N CA 1.364 54.380 53.050 -0.055 0.000 0.849 557 N CB -0.313 38.133 38.487 -0.069 0.000 1.002 557 N HN 0.417 nan 8.380 nan 0.000 0.425 558 L N -0.306 120.887 121.223 -0.050 0.000 2.265 558 L HA -0.063 4.277 4.340 0.001 0.000 0.215 558 L C 2.266 179.089 176.870 -0.079 0.000 1.117 558 L CA 1.058 55.883 54.840 -0.025 0.000 0.782 558 L CB -0.446 41.627 42.059 0.023 0.000 0.914 558 L HN 0.372 nan 8.230 nan 0.000 0.441 559 A N -0.863 121.897 122.820 -0.099 0.000 1.935 559 A HA -0.132 4.188 4.320 0.001 0.000 0.214 559 A C 2.303 179.828 177.584 -0.098 0.000 1.178 559 A CA 0.784 52.731 52.037 -0.149 0.000 0.640 559 A CB -0.254 18.675 19.000 -0.118 0.000 0.825 559 A HN 0.309 nan 8.150 nan 0.000 0.447 560 E N 0.557 120.721 120.200 -0.061 0.000 2.051 560 E HA -0.210 4.141 4.350 0.001 0.000 0.192 560 E C 2.090 178.667 176.600 -0.039 0.000 0.991 560 E CA 0.936 57.323 56.400 -0.022 0.000 0.799 560 E CB -0.272 29.415 29.700 -0.022 0.000 0.748 560 E HN 0.366 nan 8.360 nan 0.000 0.449 561 R N 0.399 120.845 120.500 -0.091 0.000 2.083 561 R HA -0.116 4.224 4.340 0.001 0.000 0.237 561 R C 2.373 178.461 176.300 -0.354 0.000 1.137 561 R CA 1.282 57.272 56.100 -0.183 0.000 0.951 561 R CB -1.118 29.108 30.300 -0.125 0.000 0.851 561 R HN 0.260 nan 8.270 nan 0.000 0.434 562 A N 0.531 123.210 122.820 -0.234 0.000 1.851 562 A HA -0.238 4.082 4.320 0.001 0.000 0.216 562 A C 2.145 179.697 177.584 -0.053 0.000 1.195 562 A CA 1.493 53.434 52.037 -0.159 0.000 0.622 562 A CB -1.033 17.926 19.000 -0.069 0.000 0.831 562 A HN 0.357 nan 8.150 nan 0.000 0.444 563 Y N 1.044 121.272 120.300 -0.119 0.000 2.053 563 Y HA -0.236 4.315 4.550 0.001 0.000 0.277 563 Y C 2.901 178.748 175.900 -0.088 0.000 1.159 563 Y CA 2.323 60.385 58.100 -0.063 0.000 1.125 563 Y CB -0.966 37.460 38.460 -0.057 0.000 0.969 563 Y HN 0.331 nan 8.280 nan 0.000 0.492 564 T N 0.501 115.032 114.554 -0.038 0.000 2.759 564 T HA -0.150 4.201 4.350 0.001 0.000 0.269 564 T C 1.473 176.068 174.700 -0.175 0.000 1.042 564 T CA 1.766 63.794 62.100 -0.119 0.000 1.140 564 T CB -0.372 68.451 68.868 -0.075 0.000 0.864 564 T HN 0.257 nan 8.240 nan 0.000 0.455 565 L N 0.827 121.896 121.223 -0.257 0.000 2.910 565 L HA 0.325 4.665 4.340 0.001 0.000 0.252 565 L C -0.112 176.684 176.870 -0.124 0.000 1.195 565 L CA -0.294 54.394 54.840 -0.254 0.000 1.003 565 L CB -0.200 41.588 42.059 -0.452 0.000 1.328 565 L HN 0.203 nan 8.230 nan 0.000 0.540 566 N N 0.393 119.047 118.700 -0.076 0.000 2.671 566 N HA -0.210 4.531 4.740 0.001 0.000 0.261 566 N C -0.809 174.873 175.510 0.285 0.000 1.053 566 N CA 0.762 53.850 53.050 0.064 0.000 0.732 566 N CB -0.908 37.608 38.487 0.048 0.000 0.887 566 N HN 0.221 nan 8.380 nan 0.000 0.546 567 Y N 0.155 120.517 120.300 0.104 0.000 2.480 567 Y HA 0.612 5.162 4.550 0.001 0.000 0.323 567 Y C 1.291 177.260 175.900 0.115 0.000 1.267 567 Y CA -0.752 57.423 58.100 0.126 0.000 1.336 567 Y CB 1.121 39.708 38.460 0.210 0.000 1.361 567 Y HN 0.055 nan 8.280 nan 0.000 0.518 568 T N -0.206 114.425 114.554 0.129 0.000 2.903 568 T HA 0.315 4.665 4.350 0.001 0.000 0.299 568 T C -1.343 173.037 174.700 -0.532 0.000 1.093 568 T CA -0.456 61.542 62.100 -0.170 0.000 1.002 568 T CB 0.727 69.533 68.868 -0.103 0.000 1.127 568 T HN 0.745 nan 8.240 nan 0.000 0.488 569 C N 5.622 124.453 119.300 -0.782 0.000 2.482 569 C HA 0.606 5.066 4.460 0.001 0.000 0.378 569 C C -2.216 172.498 174.990 -0.460 0.000 1.284 569 C CA -1.339 57.188 59.018 -0.819 0.000 1.826 569 C CB -0.421 26.916 27.740 -0.672 0.000 2.473 569 C HN 0.624 nan 8.230 nan 0.000 0.562 570 P HA 0.289 nan 4.420 nan 0.000 0.284 570 P C -0.437 176.498 177.300 -0.608 0.000 1.253 570 P CA 0.042 62.861 63.100 -0.468 0.000 0.800 570 P CB 0.792 32.190 31.700 -0.503 0.000 0.961 571 T N -0.382 113.893 114.554 -0.465 0.000 2.928 571 T HA 0.611 4.961 4.350 0.001 0.000 0.284 571 T C -0.393 174.024 174.700 -0.472 0.000 1.008 571 T CA -0.462 61.380 62.100 -0.430 0.000 1.057 571 T CB 0.226 68.980 68.868 -0.190 0.000 1.018 571 T HN 0.008 nan 8.240 nan 0.000 0.493 572 F N 1.539 121.450 119.950 -0.064 0.000 2.443 572 F HA 0.629 5.156 4.527 0.001 0.000 0.335 572 F C 0.523 176.320 175.800 -0.005 0.000 1.104 572 F CA -1.653 56.319 58.000 -0.046 0.000 1.013 572 F CB 1.163 40.129 39.000 -0.057 0.000 1.136 572 F HN 0.710 nan 8.300 nan 0.000 0.470 573 I N -1.770 118.925 120.570 0.209 0.000 3.237 573 I HA 0.628 4.799 4.170 0.001 0.000 0.308 573 I C -0.221 175.980 176.117 0.140 0.000 1.093 573 I CA -0.803 60.578 61.300 0.135 0.000 1.001 573 I CB 1.620 39.674 38.000 0.090 0.000 1.245 573 I HN 0.356 nan 8.210 nan 0.000 0.485 574 D N 0.583 121.046 120.400 0.105 0.000 2.146 574 D HA 0.076 4.717 4.640 0.001 0.000 0.209 574 D C 0.412 176.784 176.300 0.120 0.000 0.973 574 D CA 1.197 55.255 54.000 0.097 0.000 0.860 574 D CB 0.030 40.873 40.800 0.072 0.000 1.015 574 D HN 0.325 nan 8.370 nan 0.000 0.465 575 K N 0.669 121.134 120.400 0.108 0.000 2.098 575 K HA 0.331 4.651 4.320 0.001 0.000 0.244 575 K C -2.411 174.264 176.600 0.126 0.000 1.014 575 K CA -1.791 54.566 56.287 0.116 0.000 0.917 575 K CB 0.595 33.132 32.500 0.062 0.000 1.072 575 K HN -0.082 nan 8.250 nan 0.000 0.477 576 P HA 0.199 nan 4.420 nan 0.000 0.272 576 P C -0.718 176.626 177.300 0.072 0.000 1.240 576 P CA -0.137 63.029 63.100 0.109 0.000 0.791 576 P CB 0.558 32.278 31.700 0.034 0.000 0.978 577 G N 0.216 109.066 108.800 0.083 0.000 2.282 577 G HA2 0.324 4.284 3.960 0.001 0.000 0.274 577 G HA3 0.324 4.284 3.960 0.001 0.000 0.274 577 G C -1.737 173.204 174.900 0.068 0.000 1.718 577 G CA -0.695 44.441 45.100 0.059 0.000 0.927 577 G HN 0.366 nan 8.290 nan 0.000 0.733 578 I N 0.961 121.560 120.570 0.048 0.000 2.433 578 I HA 0.635 4.806 4.170 0.001 0.000 0.292 578 I C 0.256 176.384 176.117 0.020 0.000 1.001 578 I CA -0.827 60.495 61.300 0.036 0.000 1.119 578 I CB 2.312 40.327 38.000 0.025 0.000 1.289 578 I HN 0.339 nan 8.210 nan 0.000 0.438 579 R N 6.396 126.901 120.500 0.008 0.000 2.507 579 R HA 0.623 4.964 4.340 0.001 0.000 0.298 579 R C -1.352 174.942 176.300 -0.010 0.000 1.087 579 R CA -0.524 55.578 56.100 0.003 0.000 0.917 579 R CB 1.871 32.172 30.300 0.002 0.000 1.173 579 R HN 0.543 nan 8.270 nan 0.000 0.472 580 I N 1.744 122.314 120.570 -0.000 0.000 2.433 580 I HA 0.327 4.497 4.170 0.001 0.000 0.292 580 I C -0.146 175.980 176.117 0.017 0.000 1.001 580 I CA -0.497 60.801 61.300 -0.004 0.000 1.119 580 I CB 2.495 40.491 38.000 -0.006 0.000 1.289 580 I HN 0.391 nan 8.210 nan 0.000 0.438 581 T N 4.918 119.476 114.554 0.008 0.000 2.770 581 T HA 0.248 4.598 4.350 0.001 0.000 0.283 581 T C -0.227 174.492 174.700 0.031 0.000 0.988 581 T CA -0.487 61.625 62.100 0.021 0.000 0.957 581 T CB 0.956 69.829 68.868 0.008 0.000 0.930 581 T HN 0.544 nan 8.240 nan 0.000 0.443 582 E N 0.981 121.214 120.200 0.055 0.000 2.230 582 E HA -0.139 4.212 4.350 0.001 0.000 0.206 582 E C 0.464 177.115 176.600 0.084 0.000 1.309 582 E CA 0.679 57.124 56.400 0.074 0.000 0.697 582 E CB -1.238 28.498 29.700 0.061 0.000 1.146 582 E HN 0.916 nan 8.360 nan 0.000 0.363 583 G N 0.270 109.127 108.800 0.095 0.000 2.462 583 G HA2 0.677 4.637 3.960 0.001 0.000 0.319 583 G HA3 0.677 4.637 3.960 0.001 0.000 0.319 583 G C -0.049 174.940 174.900 0.149 0.000 1.171 583 G CA -0.637 44.506 45.100 0.072 0.000 0.920 583 G HN 0.079 nan 8.290 nan 0.000 0.499 584 R N -1.112 119.433 120.500 0.076 0.000 2.774 584 R HA 0.318 4.658 4.340 0.001 0.000 0.272 584 R C -0.896 175.359 176.300 -0.073 0.000 1.000 584 R CA -0.994 55.156 56.100 0.083 0.000 0.906 584 R CB 1.306 31.554 30.300 -0.085 0.000 1.227 584 R HN 0.587 nan 8.270 nan 0.000 0.468 585 H N 4.404 123.290 119.070 -0.307 0.000 2.944 585 H HA 0.112 4.668 4.556 0.001 0.000 0.278 585 H C -1.578 173.549 175.328 -0.334 0.000 1.083 585 H CA -2.051 53.850 56.048 -0.244 0.000 1.479 585 H CB 1.123 30.827 29.762 -0.096 0.000 1.486 585 H HN 0.336 nan 8.280 nan 0.000 0.493 586 P HA -0.160 nan 4.420 nan 0.000 0.219 586 P C 1.233 178.589 177.300 0.094 0.000 1.146 586 P CA 0.763 63.881 63.100 0.030 0.000 0.808 586 P CB 0.680 32.383 31.700 0.004 0.000 0.779 587 V N -0.549 119.493 119.914 0.213 0.000 2.672 587 V HA -0.069 4.051 4.120 0.001 0.000 0.242 587 V C 2.763 178.811 176.094 -0.076 0.000 1.059 587 V CA 0.900 63.245 62.300 0.075 0.000 1.081 587 V CB -0.846 31.043 31.823 0.110 0.000 0.752 587 V HN -0.114 nan 8.190 nan 0.000 0.472 588 V N 1.790 121.540 119.914 -0.272 0.000 2.490 588 V HA -0.258 3.862 4.120 0.001 0.000 0.250 588 V C 2.564 178.594 176.094 -0.107 0.000 1.061 588 V CA 2.271 64.435 62.300 -0.226 0.000 1.064 588 V CB -0.806 30.889 31.823 -0.213 0.000 0.670 588 V HN 0.867 nan 8.190 nan 0.000 0.461 589 E N -0.184 119.843 120.200 -0.287 0.000 2.208 589 E HA -0.230 4.120 4.350 0.001 0.000 0.193 589 E C 1.953 178.532 176.600 -0.034 0.000 0.988 589 E CA 1.027 57.298 56.400 -0.215 0.000 0.828 589 E CB -0.170 29.292 29.700 -0.396 0.000 0.763 589 E HN 0.548 nan 8.360 nan 0.000 0.478 590 Q N 0.442 120.226 119.800 -0.026 0.000 2.302 590 Q HA 0.062 4.402 4.340 0.001 0.000 0.202 590 Q C 2.332 178.337 176.000 0.009 0.000 0.936 590 Q CA 0.693 56.498 55.803 0.002 0.000 0.886 590 Q CB 0.428 29.169 28.738 0.006 0.000 0.986 590 Q HN 0.258 nan 8.270 nan 0.000 0.487 591 V N 0.942 120.858 119.914 0.005 0.000 2.300 591 V HA -0.029 4.091 4.120 0.001 0.000 0.241 591 V C 1.317 177.424 176.094 0.021 0.000 1.034 591 V CA 0.625 62.929 62.300 0.008 0.000 1.021 591 V CB -0.154 31.667 31.823 -0.003 0.000 0.662 591 V HN 0.213 nan 8.190 nan 0.000 0.458 592 L N 2.466 123.712 121.223 0.037 0.000 2.418 592 L HA 0.156 4.497 4.340 0.001 0.000 0.274 592 L C 0.779 177.685 176.870 0.059 0.000 1.135 592 L CA 0.060 54.932 54.840 0.053 0.000 0.870 592 L CB 0.021 42.132 42.059 0.086 0.000 1.154 592 L HN 0.379 nan 8.230 nan 0.000 0.462 593 N N 2.991 121.714 118.700 0.039 0.000 2.551 593 N HA -0.050 4.690 4.740 0.001 0.000 0.199 593 N C 0.413 175.943 175.510 0.034 0.000 1.277 593 N CA 0.240 53.310 53.050 0.034 0.000 0.870 593 N CB 0.190 38.690 38.487 0.021 0.000 1.028 593 N HN 0.682 nan 8.380 nan 0.000 0.452 594 E N 1.064 121.289 120.200 0.042 0.000 2.222 594 E HA 0.389 4.740 4.350 0.001 0.000 0.267 594 E C -2.718 173.916 176.600 0.056 0.000 0.963 594 E CA -2.047 54.368 56.400 0.025 0.000 0.837 594 E CB 0.985 30.676 29.700 -0.016 0.000 1.183 594 E HN -0.183 nan 8.360 nan 0.000 0.403 595 P HA 0.008 nan 4.420 nan 0.000 0.258 595 P C -1.075 176.279 177.300 0.090 0.000 1.187 595 P CA 0.214 63.350 63.100 0.060 0.000 0.767 595 P CB -0.279 31.430 31.700 0.015 0.000 0.770 596 F N 4.937 124.926 119.950 0.064 0.000 2.467 596 F HA 0.183 4.710 4.527 0.001 0.000 0.362 596 F C 0.303 176.186 175.800 0.139 0.000 1.090 596 F CA -0.364 57.714 58.000 0.129 0.000 1.202 596 F CB 0.379 39.456 39.000 0.128 0.000 1.113 596 F HN 0.163 nan 8.300 nan 0.000 0.541 597 I N 6.491 126.819 120.570 -0.404 0.000 2.325 597 I HA 0.300 4.471 4.170 0.001 0.000 0.291 597 I C 0.593 176.655 176.117 -0.092 0.000 1.019 597 I CA -0.691 60.517 61.300 -0.154 0.000 1.302 597 I CB 0.052 37.986 38.000 -0.109 0.000 1.401 597 I HN 0.634 nan 8.210 nan 0.000 0.485 598 A N 7.437 130.348 122.820 0.152 0.000 2.332 598 A HA 0.579 4.899 4.320 0.001 0.000 0.258 598 A C 0.123 177.781 177.584 0.123 0.000 1.087 598 A CA -0.337 51.834 52.037 0.223 0.000 0.802 598 A CB 0.402 19.521 19.000 0.199 0.000 1.042 598 A HN 0.797 nan 8.150 nan 0.000 0.489 599 N N 0.221 119.021 118.700 0.167 0.000 2.277 599 N HA 0.541 5.281 4.740 0.001 0.000 0.286 599 N C -3.105 172.511 175.510 0.177 0.000 1.140 599 N CA -0.903 52.232 53.050 0.142 0.000 0.799 599 N CB 2.571 41.158 38.487 0.167 0.000 1.596 599 N HN 0.444 nan 8.380 nan 0.000 0.473 600 P HA 0.440 nan 4.420 nan 0.000 0.279 600 P C -1.038 176.375 177.300 0.189 0.000 1.276 600 P CA -0.509 62.662 63.100 0.118 0.000 0.801 600 P CB 1.377 33.116 31.700 0.066 0.000 1.127 601 L N 0.859 122.154 121.223 0.120 0.000 2.676 601 L HA 0.480 4.820 4.340 0.001 0.000 0.262 601 L C -1.748 175.157 176.870 0.059 0.000 0.932 601 L CA -0.313 54.596 54.840 0.116 0.000 0.932 601 L CB 1.536 43.630 42.059 0.057 0.000 1.355 601 L HN 0.271 nan 8.230 nan 0.000 0.421 602 N N 5.302 124.037 118.700 0.059 0.000 2.569 602 N HA 0.594 5.334 4.740 0.001 0.000 0.254 602 N C -1.962 173.568 175.510 0.033 0.000 1.004 602 N CA -0.222 52.850 53.050 0.037 0.000 0.904 602 N CB 0.781 39.286 38.487 0.031 0.000 1.165 602 N HN 0.633 nan 8.380 nan 0.000 0.513 603 L N 1.875 123.115 121.223 0.027 0.000 2.341 603 L HA 0.646 4.986 4.340 0.001 0.000 0.278 603 L C 0.188 177.071 176.870 0.020 0.000 1.005 603 L CA -0.659 54.195 54.840 0.023 0.000 0.818 603 L CB 1.665 43.739 42.059 0.024 0.000 1.259 603 L HN 0.563 nan 8.230 nan 0.000 0.418 604 S N 1.630 117.337 115.700 0.013 0.000 2.806 604 S HA 0.622 5.093 4.470 0.001 0.000 0.306 604 S C -2.521 172.076 174.600 -0.005 0.000 1.167 604 S CA -1.278 56.927 58.200 0.009 0.000 0.847 604 S CB 1.959 65.165 63.200 0.009 0.000 1.216 604 S HN 0.300 nan 8.310 nan 0.000 0.532 605 P HA 0.087 nan 4.420 nan 0.000 0.226 605 P C 0.538 177.824 177.300 -0.023 0.000 1.153 605 P CA 0.929 64.012 63.100 -0.028 0.000 0.777 605 P CB -0.093 31.587 31.700 -0.034 0.000 0.794 606 Q N -1.132 118.660 119.800 -0.013 0.000 2.403 606 Q HA 0.119 4.460 4.340 0.001 0.000 0.203 606 Q C 0.653 176.646 176.000 -0.011 0.000 0.932 606 Q CA 0.334 56.130 55.803 -0.012 0.000 0.945 606 Q CB 0.120 28.854 28.738 -0.007 0.000 1.045 606 Q HN 0.078 nan 8.270 nan 0.000 0.511 607 R N 0.013 120.508 120.500 -0.009 0.000 3.107 607 R HA 0.216 4.556 4.340 0.001 0.000 0.224 607 R C -0.302 175.997 176.300 -0.002 0.000 1.734 607 R CA 0.033 56.130 56.100 -0.004 0.000 1.303 607 R CB 0.172 30.475 30.300 0.004 0.000 1.570 607 R HN 0.038 nan 8.270 nan 0.000 0.606 608 R N 1.057 121.550 120.500 -0.011 0.000 2.206 608 R HA 0.239 4.579 4.340 0.001 0.000 0.198 608 R C 0.651 176.951 176.300 0.001 0.000 0.986 608 R CA 0.412 56.506 56.100 -0.010 0.000 1.029 608 R CB 0.597 30.880 30.300 -0.029 0.000 0.966 608 R HN 0.239 nan 8.270 nan 0.000 0.487 609 M N 1.518 121.115 119.600 -0.006 0.000 2.259 609 M HA 0.363 4.843 4.480 0.001 0.000 0.304 609 M C -1.716 174.598 176.300 0.023 0.000 1.019 609 M CA -0.533 54.770 55.300 0.005 0.000 0.922 609 M CB 1.762 34.334 32.600 -0.045 0.000 1.600 609 M HN -0.077 nan 8.290 nan 0.000 0.433 610 L N 6.244 127.510 121.223 0.071 0.000 2.265 610 L HA 0.462 4.803 4.340 0.001 0.000 0.289 610 L C -0.460 176.489 176.870 0.131 0.000 1.033 610 L CA -0.891 54.004 54.840 0.091 0.000 0.814 610 L CB 1.199 43.334 42.059 0.127 0.000 1.203 610 L HN 0.616 nan 8.230 nan 0.000 0.423 611 I N 5.184 125.812 120.570 0.097 0.000 2.517 611 I HA 0.122 4.292 4.170 0.001 0.000 0.285 611 I C 0.351 176.573 176.117 0.174 0.000 1.106 611 I CA 0.222 61.614 61.300 0.152 0.000 1.402 611 I CB 0.553 38.597 38.000 0.074 0.000 1.399 611 I HN 0.474 nan 8.210 nan 0.000 0.535 612 I N 6.877 127.574 120.570 0.211 0.000 2.347 612 I HA 0.158 4.329 4.170 0.001 0.000 0.283 612 I C 0.822 177.051 176.117 0.186 0.000 1.058 612 I CA -0.373 61.035 61.300 0.180 0.000 1.202 612 I CB 0.813 38.919 38.000 0.176 0.000 1.386 612 I HN 0.578 nan 8.210 nan 0.000 0.475 613 T N 1.944 116.620 114.554 0.203 0.000 2.884 613 T HA 0.886 5.236 4.350 0.001 0.000 0.277 613 T C 0.461 175.281 174.700 0.201 0.000 0.976 613 T CA -0.088 62.136 62.100 0.206 0.000 0.956 613 T CB 1.943 70.939 68.868 0.212 0.000 1.113 613 T HN 0.953 nan 8.240 nan 0.000 0.554 614 G N 0.592 109.501 108.800 0.183 0.000 2.566 614 G HA2 0.091 4.051 3.960 0.001 0.000 0.599 614 G HA3 0.091 4.051 3.960 0.001 0.000 0.599 614 G C -3.166 171.851 174.900 0.194 0.000 1.292 614 G CA -0.875 44.340 45.100 0.193 0.000 0.922 614 G HN 0.838 nan 8.290 nan 0.000 0.514 615 P HA 0.142 nan 4.420 nan 0.000 0.267 615 P C 0.577 177.898 177.300 0.036 0.000 1.200 615 P CA -0.122 63.062 63.100 0.140 0.000 0.772 615 P CB 0.671 32.493 31.700 0.203 0.000 0.855 616 N N 2.793 121.466 118.700 -0.046 0.000 2.349 616 N HA 0.043 4.783 4.740 0.001 0.000 0.216 616 N C 0.443 175.863 175.510 -0.151 0.000 1.025 616 N CA 0.735 53.747 53.050 -0.063 0.000 1.074 616 N CB -0.265 38.191 38.487 -0.051 0.000 1.323 616 N HN 0.228 nan 8.380 nan 0.000 0.560 617 M N 0.045 119.515 119.600 -0.217 0.000 2.206 617 M HA -0.173 4.307 4.480 0.001 0.000 0.197 617 M C 0.902 177.146 176.300 -0.093 0.000 0.375 617 M CA 1.123 56.278 55.300 -0.242 0.000 0.410 617 M CB -2.880 29.405 32.600 -0.525 0.000 1.204 617 M HN 0.571 nan 8.290 nan 0.000 0.932 618 G N -1.387 107.390 108.800 -0.039 0.000 2.205 618 G HA2 -0.286 3.674 3.960 0.001 0.000 0.269 618 G HA3 -0.286 3.674 3.960 0.001 0.000 0.269 618 G C 0.890 175.827 174.900 0.061 0.000 0.977 618 G CA 1.018 46.133 45.100 0.024 0.000 0.652 618 G HN 1.126 nan 8.290 nan 0.000 0.539 619 G N -0.161 108.666 108.800 0.045 0.000 2.408 619 G HA2 0.057 4.017 3.960 0.001 0.000 0.213 619 G HA3 0.057 4.017 3.960 0.001 0.000 0.213 619 G C 1.571 176.473 174.900 0.004 0.000 1.177 619 G CA 1.345 46.454 45.100 0.015 0.000 0.802 619 G HN 0.546 nan 8.290 nan 0.000 0.533 620 K N 0.717 121.143 120.400 0.044 0.000 2.009 620 K HA -0.076 4.245 4.320 0.001 0.000 0.210 620 K C 2.915 179.594 176.600 0.132 0.000 1.049 620 K CA 1.609 57.955 56.287 0.099 0.000 0.929 620 K CB -0.224 32.322 32.500 0.076 0.000 0.714 620 K HN 0.216 nan 8.250 nan 0.000 0.440 621 S N 0.314 116.063 115.700 0.082 0.000 2.382 621 S HA -0.117 4.354 4.470 0.001 0.000 0.228 621 S C 1.999 176.672 174.600 0.123 0.000 1.027 621 S CA 1.619 59.866 58.200 0.079 0.000 0.991 621 S CB -0.301 62.928 63.200 0.049 0.000 0.823 621 S HN 0.355 nan 8.310 nan 0.000 0.469 622 T N 1.078 115.722 114.554 0.150 0.000 2.643 622 T HA -0.123 4.227 4.350 0.001 0.000 0.264 622 T C 1.541 176.395 174.700 0.256 0.000 1.045 622 T CA 1.416 63.670 62.100 0.257 0.000 1.155 622 T CB -0.620 68.367 68.868 0.198 0.000 0.863 622 T HN 0.409 nan 8.240 nan 0.000 0.420 623 Y N 1.418 121.747 120.300 0.048 0.000 2.133 623 Y HA -0.283 4.267 4.550 0.001 0.000 0.279 623 Y C 2.317 178.235 175.900 0.030 0.000 1.209 623 Y CA 1.448 59.567 58.100 0.032 0.000 1.152 623 Y CB -0.474 37.982 38.460 -0.006 0.000 0.961 623 Y HN 0.193 nan 8.280 nan 0.000 0.512 624 M N -1.046 118.550 119.600 -0.007 0.000 2.134 624 M HA -0.165 4.316 4.480 0.001 0.000 0.262 624 M C 2.318 178.555 176.300 -0.105 0.000 1.076 624 M CA 1.617 56.856 55.300 -0.101 0.000 1.143 624 M CB -0.249 32.351 32.600 -0.000 0.000 1.346 624 M HN 0.044 nan 8.290 nan 0.000 0.421 625 R N 0.382 120.859 120.500 -0.039 0.000 2.127 625 R HA -0.207 4.133 4.340 0.001 0.000 0.238 625 R C 2.232 178.407 176.300 -0.207 0.000 1.134 625 R CA 1.738 57.794 56.100 -0.074 0.000 0.975 625 R CB -0.468 29.843 30.300 0.019 0.000 0.865 625 R HN 0.593 nan 8.270 nan 0.000 0.447 626 Q N 0.054 119.723 119.800 -0.218 0.000 2.172 626 Q HA -0.087 4.253 4.340 0.001 0.000 0.200 626 Q C 1.317 177.184 176.000 -0.222 0.000 0.964 626 Q CA 1.704 57.329 55.803 -0.295 0.000 0.855 626 Q CB -0.161 28.505 28.738 -0.119 0.000 0.918 626 Q HN 0.074 nan 8.270 nan 0.000 0.444 627 T N 1.427 115.847 114.554 -0.224 0.000 2.684 627 T HA -0.135 4.215 4.350 0.001 0.000 0.267 627 T C 2.006 176.635 174.700 -0.119 0.000 1.036 627 T CA 1.639 63.626 62.100 -0.188 0.000 1.148 627 T CB -0.467 68.266 68.868 -0.226 0.000 0.863 627 T HN 0.541 nan 8.240 nan 0.000 0.436 628 A N 1.004 123.755 122.820 -0.114 0.000 1.902 628 A HA 0.016 4.336 4.320 0.001 0.000 0.217 628 A C 2.278 179.812 177.584 -0.083 0.000 1.181 628 A CA 1.262 53.254 52.037 -0.076 0.000 0.623 628 A CB -0.760 18.200 19.000 -0.067 0.000 0.818 628 A HN 0.490 nan 8.150 nan 0.000 0.443 629 L N -0.878 120.261 121.223 -0.140 0.000 2.270 629 L HA 0.006 4.346 4.340 0.001 0.000 0.210 629 L C 2.329 179.133 176.870 -0.110 0.000 1.104 629 L CA 0.488 55.246 54.840 -0.137 0.000 0.804 629 L CB -0.290 41.635 42.059 -0.224 0.000 0.937 629 L HN 0.349 nan 8.230 nan 0.000 0.450 630 I N -0.049 120.447 120.570 -0.124 0.000 2.252 630 I HA -0.246 3.925 4.170 0.001 0.000 0.245 630 I C 2.779 178.874 176.117 -0.037 0.000 1.102 630 I CA 1.075 62.308 61.300 -0.111 0.000 1.385 630 I CB -0.334 37.592 38.000 -0.124 0.000 1.064 630 I HN 0.195 nan 8.210 nan 0.000 0.414 631 A N 0.932 123.756 122.820 0.007 0.000 1.902 631 A HA -0.202 4.118 4.320 0.001 0.000 0.217 631 A C 2.319 180.006 177.584 0.172 0.000 1.181 631 A CA 1.288 53.397 52.037 0.120 0.000 0.623 631 A CB -0.768 18.293 19.000 0.102 0.000 0.818 631 A HN 0.396 nan 8.150 nan 0.000 0.443 632 L N -0.590 120.677 121.223 0.073 0.000 2.017 632 L HA -0.141 4.199 4.340 0.001 0.000 0.208 632 L C 2.385 179.318 176.870 0.104 0.000 1.073 632 L CA 2.487 57.372 54.840 0.076 0.000 0.745 632 L CB -1.007 41.055 42.059 0.005 0.000 0.894 632 L HN 0.486 nan 8.230 nan 0.000 0.432 633 M N -0.568 119.064 119.600 0.052 0.000 2.156 633 M HA -0.113 4.367 4.480 0.001 0.000 0.264 633 M C 2.376 178.722 176.300 0.076 0.000 1.067 633 M CA 1.572 56.906 55.300 0.057 0.000 1.131 633 M CB -0.549 32.045 32.600 -0.010 0.000 1.368 633 M HN 0.348 nan 8.290 nan 0.000 0.416 634 A N 0.084 122.922 122.820 0.031 0.000 1.896 634 A HA -0.234 4.087 4.320 0.001 0.000 0.220 634 A C 1.492 179.089 177.584 0.023 0.000 1.206 634 A CA 1.897 53.920 52.037 -0.023 0.000 0.647 634 A CB -1.326 17.617 19.000 -0.096 0.000 0.828 634 A HN 0.584 nan 8.150 nan 0.000 0.455 635 Y N -0.061 120.332 120.300 0.154 0.000 2.496 635 Y HA 0.274 4.824 4.550 0.001 0.000 0.313 635 Y C 1.536 177.470 175.900 0.057 0.000 1.184 635 Y CA 0.348 58.508 58.100 0.101 0.000 1.275 635 Y CB -0.116 38.369 38.460 0.042 0.000 1.103 635 Y HN 0.555 nan 8.280 nan 0.000 0.513 636 I N -4.755 115.923 120.570 0.180 0.000 4.139 636 I HA 0.515 4.685 4.170 0.001 0.000 0.335 636 I C 1.354 177.556 176.117 0.142 0.000 1.327 636 I CA 0.688 62.079 61.300 0.152 0.000 1.112 636 I CB 0.622 38.767 38.000 0.243 0.000 1.058 636 I HN 0.128 nan 8.210 nan 0.000 0.396 637 G N 1.722 110.616 108.800 0.157 0.000 2.184 637 G HA2 -0.257 3.704 3.960 0.001 0.000 0.206 637 G HA3 -0.257 3.704 3.960 0.001 0.000 0.206 637 G C 0.303 175.341 174.900 0.230 0.000 0.995 637 G CA 0.255 45.459 45.100 0.174 0.000 0.651 637 G HN 0.616 nan 8.290 nan 0.000 0.511 638 S N -0.886 114.954 115.700 0.232 0.000 2.655 638 S HA 0.726 5.196 4.470 0.001 0.000 0.265 638 S C 0.592 175.416 174.600 0.373 0.000 1.240 638 S CA -0.504 57.860 58.200 0.273 0.000 0.986 638 S CB 0.662 64.005 63.200 0.238 0.000 0.985 638 S HN 0.299 nan 8.310 nan 0.000 0.562 639 Y N 0.221 120.611 120.300 0.150 0.000 2.295 639 Y HA 0.493 5.043 4.550 0.001 0.000 0.331 639 Y C 0.649 176.557 175.900 0.013 0.000 1.311 639 Y CA -1.151 57.031 58.100 0.136 0.000 1.430 639 Y CB 0.702 39.319 38.460 0.263 0.000 1.339 639 Y HN 0.554 nan 8.280 nan 0.000 0.552 640 V N -0.817 119.059 119.914 -0.063 0.000 2.962 640 V HA 0.582 4.703 4.120 0.001 0.000 0.313 640 V C -2.847 172.864 176.094 -0.639 0.000 1.099 640 V CA -2.829 59.197 62.300 -0.457 0.000 0.971 640 V CB 2.178 33.850 31.823 -0.252 0.000 1.028 640 V HN 0.597 nan 8.190 nan 0.000 0.430 641 P HA 0.527 nan 4.420 nan 0.000 0.244 641 P C -0.300 176.920 177.300 -0.133 0.000 1.769 641 P CA 0.507 63.357 63.100 -0.417 0.000 1.102 641 P CB 0.380 31.862 31.700 -0.362 0.000 1.937 642 A N 2.527 125.309 122.820 -0.064 0.000 2.564 642 A HA 0.406 4.727 4.320 0.001 0.000 0.291 642 A C 0.630 178.213 177.584 -0.003 0.000 1.102 642 A CA -0.439 51.583 52.037 -0.024 0.000 0.660 642 A CB 0.773 19.738 19.000 -0.059 0.000 1.283 642 A HN 0.146 nan 8.150 nan 0.000 0.430 643 Q N -0.066 119.734 119.800 0.000 0.000 2.376 643 Q HA 0.219 4.560 4.340 0.001 0.000 0.206 643 Q C -0.090 175.891 176.000 -0.032 0.000 0.921 643 Q CA 0.864 56.665 55.803 -0.003 0.000 0.911 643 Q CB 0.691 29.434 28.738 0.009 0.000 1.032 643 Q HN 0.506 nan 8.270 nan 0.000 0.510 644 K N 0.088 120.462 120.400 -0.044 0.000 2.569 644 K HA 0.420 4.740 4.320 0.001 0.000 0.259 644 K C -1.905 174.648 176.600 -0.077 0.000 0.932 644 K CA -0.289 55.959 56.287 -0.066 0.000 0.833 644 K CB 2.502 34.975 32.500 -0.046 0.000 1.340 644 K HN -0.215 nan 8.250 nan 0.000 0.429 645 V N 3.431 123.276 119.914 -0.115 0.000 2.567 645 V HA 0.292 4.413 4.120 0.001 0.000 0.298 645 V C -1.088 174.923 176.094 -0.139 0.000 1.047 645 V CA -0.829 61.401 62.300 -0.116 0.000 0.880 645 V CB 1.874 33.612 31.823 -0.141 0.000 1.009 645 V HN 0.742 nan 8.190 nan 0.000 0.429 646 E N 5.016 125.163 120.200 -0.089 0.000 2.179 646 E HA 0.757 5.107 4.350 0.001 0.000 0.275 646 E C -0.851 175.733 176.600 -0.026 0.000 0.945 646 E CA -0.611 55.742 56.400 -0.078 0.000 0.792 646 E CB 3.207 32.884 29.700 -0.038 0.000 1.125 646 E HN 0.606 nan 8.360 nan 0.000 0.397 647 I N 0.930 121.506 120.570 0.010 0.000 2.722 647 I HA 0.515 4.685 4.170 0.001 0.000 0.295 647 I C -0.335 175.932 176.117 0.249 0.000 1.161 647 I CA -0.534 60.839 61.300 0.122 0.000 1.032 647 I CB 1.716 39.793 38.000 0.129 0.000 1.244 647 I HN 0.651 nan 8.210 nan 0.000 0.421 648 G N 5.345 114.291 108.800 0.244 0.000 2.537 648 G HA2 0.584 4.544 3.960 0.001 0.000 0.297 648 G HA3 0.584 4.544 3.960 0.001 0.000 0.297 648 G C -2.805 172.292 174.900 0.329 0.000 1.310 648 G CA -1.339 43.916 45.100 0.259 0.000 1.027 648 G HN 0.425 nan 8.290 nan 0.000 0.505 649 P HA 0.244 nan 4.420 nan 0.000 0.267 649 P C -1.015 176.317 177.300 0.053 0.000 1.205 649 P CA 0.124 63.294 63.100 0.117 0.000 0.765 649 P CB 1.244 32.956 31.700 0.020 0.000 0.828 650 I N 3.589 124.030 120.570 -0.215 0.000 2.466 650 I HA 0.164 4.335 4.170 0.001 0.000 0.289 650 I C 1.285 177.256 176.117 -0.242 0.000 1.026 650 I CA -0.165 61.035 61.300 -0.167 0.000 1.078 650 I CB 1.921 39.809 38.000 -0.187 0.000 1.249 650 I HN 0.343 nan 8.210 nan 0.000 0.429 651 D N 5.981 126.324 120.400 -0.095 0.000 2.323 651 D HA 0.054 4.694 4.640 0.001 0.000 0.218 651 D C 0.274 176.513 176.300 -0.102 0.000 0.973 651 D CA 0.451 54.385 54.000 -0.110 0.000 0.890 651 D CB 0.469 41.236 40.800 -0.054 0.000 1.011 651 D HN 0.466 nan 8.370 nan 0.000 0.499 652 R N -0.446 120.015 120.500 -0.066 0.000 2.799 652 R HA 0.735 5.076 4.340 0.001 0.000 0.270 652 R C -1.006 175.188 176.300 -0.177 0.000 1.010 652 R CA -0.898 55.093 56.100 -0.182 0.000 0.916 652 R CB 1.662 31.791 30.300 -0.285 0.000 1.228 652 R HN -0.110 nan 8.270 nan 0.000 0.469 653 I N 1.762 122.149 120.570 -0.305 0.000 2.439 653 I HA 0.350 4.520 4.170 0.001 0.000 0.285 653 I C -1.230 174.715 176.117 -0.286 0.000 1.021 653 I CA -0.547 60.649 61.300 -0.174 0.000 1.091 653 I CB 1.332 39.272 38.000 -0.101 0.000 1.242 653 I HN 0.400 nan 8.210 nan 0.000 0.439 654 F N 3.730 123.677 119.950 -0.006 0.000 2.458 654 F HA 0.525 5.053 4.527 0.000 0.000 0.336 654 F C 0.409 176.202 175.800 -0.011 0.000 1.114 654 F CA -0.638 57.359 58.000 -0.005 0.000 0.987 654 F CB 2.162 41.164 39.000 0.002 0.000 1.130 654 F HN 0.293 nan 8.300 nan 0.000 0.458 655 T N -0.005 114.640 114.554 0.151 0.000 3.038 655 T HA 0.300 4.650 4.350 0.001 0.000 0.344 655 T C -0.379 174.357 174.700 0.060 0.000 1.054 655 T CA -1.012 61.135 62.100 0.078 0.000 1.092 655 T CB 0.745 69.633 68.868 0.033 0.000 1.031 655 T HN 0.509 nan 8.240 nan 0.000 0.482 656 R N 3.001 123.528 120.500 0.045 0.000 4.680 656 R HA 0.433 4.773 4.340 0.001 0.000 0.222 656 R C -0.910 175.380 176.300 -0.017 0.000 1.803 656 R CA -0.433 55.673 56.100 0.010 0.000 1.560 656 R CB -1.115 29.178 30.300 -0.012 0.000 1.412 656 R HN 0.562 nan 8.270 nan 0.000 0.815 657 V N 1.344 121.256 119.914 -0.003 0.000 2.328 657 V HA 0.840 4.960 4.120 0.001 0.000 0.278 657 V C 0.590 176.683 176.094 -0.000 0.000 1.021 657 V CA -0.138 62.157 62.300 -0.008 0.000 0.838 657 V CB 1.031 32.857 31.823 0.006 0.000 0.999 657 V HN 0.628 nan 8.190 nan 0.000 0.447 670 F N 2.066 122.022 119.950 0.010 0.000 2.154 670 F HA -0.076 4.452 4.527 0.001 0.000 0.301 670 F C 2.120 177.931 175.800 0.017 0.000 1.087 670 F CA 1.736 59.745 58.000 0.016 0.000 1.274 670 F CB -0.350 38.665 39.000 0.024 0.000 1.009 670 F HN 0.566 nan 8.300 nan 0.000 0.485 671 M N -0.267 119.286 119.600 -0.078 0.000 2.065 671 M HA -0.183 4.298 4.480 0.001 0.000 0.259 671 M C 2.317 178.516 176.300 -0.168 0.000 1.069 671 M CA 1.462 56.660 55.300 -0.170 0.000 1.110 671 M CB -1.211 31.373 32.600 -0.027 0.000 1.328 671 M HN 0.073 nan 8.290 nan 0.000 0.405 672 V N 0.176 120.039 119.914 -0.086 0.000 2.392 672 V HA -0.276 3.845 4.120 0.001 0.000 0.249 672 V C 2.325 178.368 176.094 -0.085 0.000 1.059 672 V CA 2.104 64.366 62.300 -0.063 0.000 1.051 672 V CB -0.850 30.958 31.823 -0.025 0.000 0.658 672 V HN 0.545 nan 8.190 nan 0.000 0.455 673 E N -0.584 119.551 120.200 -0.108 0.000 2.110 673 E HA -0.243 4.108 4.350 0.001 0.000 0.193 673 E C 2.243 178.747 176.600 -0.161 0.000 0.988 673 E CA 1.324 57.660 56.400 -0.106 0.000 0.804 673 E CB -0.041 29.621 29.700 -0.064 0.000 0.745 673 E HN 0.368 nan 8.360 nan 0.000 0.458 674 M N 0.211 119.635 119.600 -0.294 0.000 2.254 674 M HA -0.053 4.428 4.480 0.001 0.000 0.265 674 M C 2.177 178.383 176.300 -0.158 0.000 1.066 674 M CA 1.230 56.358 55.300 -0.287 0.000 1.123 674 M CB -0.736 31.577 32.600 -0.479 0.000 1.388 674 M HN 0.089 nan 8.290 nan 0.000 0.425 675 T N 0.238 114.716 114.554 -0.126 0.000 2.812 675 T HA -0.075 4.275 4.350 0.001 0.000 0.264 675 T C 1.730 176.411 174.700 -0.031 0.000 1.042 675 T CA 1.049 63.112 62.100 -0.061 0.000 1.140 675 T CB -0.020 68.821 68.868 -0.046 0.000 0.870 675 T HN 0.439 nan 8.240 nan 0.000 0.445 676 E N 0.771 120.951 120.200 -0.033 0.000 2.077 676 E HA -0.102 4.248 4.350 0.001 0.000 0.193 676 E C 2.388 178.979 176.600 -0.015 0.000 0.989 676 E CA 1.309 57.708 56.400 -0.002 0.000 0.800 676 E CB -0.250 29.451 29.700 0.000 0.000 0.746 676 E HN 0.362 nan 8.360 nan 0.000 0.452 677 T N 0.995 115.519 114.554 -0.050 0.000 2.788 677 T HA -0.146 4.204 4.350 0.001 0.000 0.268 677 T C 1.979 176.623 174.700 -0.094 0.000 1.044 677 T CA 1.208 63.269 62.100 -0.066 0.000 1.139 677 T CB -0.174 68.659 68.868 -0.058 0.000 0.867 677 T HN 0.245 nan 8.240 nan 0.000 0.454 678 A N 2.081 124.847 122.820 -0.089 0.000 1.930 678 A HA -0.135 4.185 4.320 0.001 0.000 0.217 678 A C 2.271 179.800 177.584 -0.092 0.000 1.175 678 A CA 1.543 53.505 52.037 -0.126 0.000 0.627 678 A CB -0.638 18.322 19.000 -0.068 0.000 0.815 678 A HN 0.450 nan 8.150 nan 0.000 0.443 679 N N 0.495 119.195 118.700 -0.001 0.000 2.142 679 N HA -0.091 4.649 4.740 0.001 0.000 0.186 679 N C 1.597 177.085 175.510 -0.036 0.000 1.023 679 N CA 1.544 54.637 53.050 0.073 0.000 0.852 679 N CB -0.334 38.227 38.487 0.123 0.000 0.998 679 N HN 0.521 nan 8.380 nan 0.000 0.424 680 I N 0.694 121.147 120.570 -0.194 0.000 2.264 680 I HA -0.258 3.913 4.170 0.001 0.000 0.248 680 I C 1.955 177.792 176.117 -0.467 0.000 1.111 680 I CA 0.856 61.792 61.300 -0.607 0.000 1.382 680 I CB -0.085 37.646 38.000 -0.448 0.000 1.060 680 I HN 0.114 nan 8.210 nan 0.000 0.418 681 L N -0.974 120.087 121.223 -0.270 0.000 2.270 681 L HA -0.094 4.246 4.340 0.001 0.000 0.210 681 L C 2.435 179.211 176.870 -0.157 0.000 1.104 681 L CA 0.619 55.324 54.840 -0.224 0.000 0.804 681 L CB -0.659 41.264 42.059 -0.227 0.000 0.937 681 L HN 0.275 nan 8.230 nan 0.000 0.450 682 H N 0.138 119.163 119.070 -0.075 0.000 2.470 682 H HA 0.079 4.636 4.556 0.001 0.000 0.289 682 H C 1.270 176.593 175.328 -0.009 0.000 1.033 682 H CA 0.917 56.947 56.048 -0.030 0.000 1.331 682 H CB 0.264 30.021 29.762 -0.008 0.000 1.414 682 H HN 0.408 nan 8.280 nan 0.000 0.545 683 N N -0.291 118.467 118.700 0.097 0.000 2.159 683 N HA 0.176 4.916 4.740 0.001 0.000 0.217 683 N C 0.198 175.810 175.510 0.170 0.000 1.223 683 N CA 0.020 53.169 53.050 0.165 0.000 0.896 683 N CB 1.549 40.221 38.487 0.309 0.000 1.064 683 N HN 0.022 nan 8.380 nan 0.000 0.518 684 A N 1.390 124.166 122.820 -0.073 0.000 2.316 684 A HA 0.548 4.868 4.320 0.001 0.000 0.284 684 A C 0.726 178.343 177.584 0.055 0.000 1.115 684 A CA -0.064 51.947 52.037 -0.043 0.000 0.812 684 A CB 0.609 19.413 19.000 -0.326 0.000 1.064 684 A HN 0.181 nan 8.150 nan 0.000 0.489 685 T N -1.810 112.818 114.554 0.123 0.000 2.773 685 T HA 0.463 4.814 4.350 0.001 0.000 0.278 685 T C 0.563 175.294 174.700 0.051 0.000 1.011 685 T CA 0.182 62.343 62.100 0.102 0.000 1.014 685 T CB 1.006 69.983 68.868 0.181 0.000 1.293 685 T HN 0.727 nan 8.240 nan 0.000 0.554 686 E N -0.582 119.594 120.200 -0.041 0.000 2.511 686 E HA 0.024 4.374 4.350 0.001 0.000 0.196 686 E C 0.013 176.431 176.600 -0.303 0.000 1.066 686 E CA 0.376 56.655 56.400 -0.202 0.000 0.871 686 E CB -0.409 29.102 29.700 -0.315 0.000 0.863 686 E HN 0.732 nan 8.360 nan 0.000 0.520 687 Y N 0.547 120.865 120.300 0.030 0.000 2.481 687 Y HA 0.311 4.861 4.550 0.001 0.000 0.247 687 Y C 0.460 176.379 175.900 0.030 0.000 1.151 687 Y CA -0.468 57.644 58.100 0.020 0.000 1.238 687 Y CB 0.924 39.384 38.460 0.001 0.000 1.179 687 Y HN -0.077 nan 8.280 nan 0.000 0.524 688 S N 1.242 117.056 115.700 0.189 0.000 2.586 688 S HA 0.332 4.802 4.470 0.001 0.000 0.274 688 S C -0.727 173.968 174.600 0.160 0.000 1.281 688 S CA -0.522 57.802 58.200 0.207 0.000 1.035 688 S CB 1.287 64.691 63.200 0.340 0.000 0.962 688 S HN 0.158 nan 8.310 nan 0.000 0.512 689 L N 4.103 125.417 121.223 0.151 0.000 2.257 689 L HA 0.533 4.873 4.340 0.001 0.000 0.290 689 L C -0.925 176.056 176.870 0.184 0.000 1.044 689 L CA -0.101 54.810 54.840 0.118 0.000 0.810 689 L CB 0.686 42.785 42.059 0.067 0.000 1.193 689 L HN 0.419 nan 8.230 nan 0.000 0.425 690 V N 6.671 126.672 119.914 0.146 0.000 2.513 690 V HA 0.494 4.614 4.120 0.001 0.000 0.299 690 V C -0.209 175.940 176.094 0.091 0.000 1.035 690 V CA -0.574 61.813 62.300 0.145 0.000 0.889 690 V CB 1.831 33.692 31.823 0.064 0.000 0.988 690 V HN 0.570 nan 8.190 nan 0.000 0.440 691 L N 5.764 127.035 121.223 0.079 0.000 2.415 691 L HA 0.552 4.892 4.340 0.001 0.000 0.268 691 L C -0.668 176.196 176.870 -0.010 0.000 0.984 691 L CA -0.271 54.587 54.840 0.030 0.000 0.853 691 L CB 1.590 43.660 42.059 0.018 0.000 1.215 691 L HN 0.438 nan 8.230 nan 0.000 0.419 692 M N 2.265 121.819 119.600 -0.078 0.000 2.205 692 M HA 0.303 4.783 4.480 0.001 0.000 0.344 692 M C -0.849 175.306 176.300 -0.241 0.000 1.085 692 M CA -0.396 54.780 55.300 -0.206 0.000 1.001 692 M CB 1.930 34.264 32.600 -0.443 0.000 1.626 692 M HN 0.315 nan 8.290 nan 0.000 0.442 693 D N 3.794 124.087 120.400 -0.178 0.000 2.485 693 D HA 0.211 4.851 4.640 0.001 0.000 0.221 693 D C -0.273 175.917 176.300 -0.183 0.000 1.112 693 D CA 0.405 54.315 54.000 -0.150 0.000 0.911 693 D CB 0.294 41.045 40.800 -0.082 0.000 1.019 693 D HN 0.681 nan 8.370 nan 0.000 0.516 694 E N 1.582 121.639 120.200 -0.239 0.000 2.320 694 E HA -0.224 4.126 4.350 0.001 0.000 0.234 694 E C 0.257 176.774 176.600 -0.139 0.000 1.183 694 E CA 0.125 56.404 56.400 -0.202 0.000 0.713 694 E CB -1.429 28.123 29.700 -0.247 0.000 1.226 694 E HN 0.633 nan 8.360 nan 0.000 0.382 695 I N -2.837 117.672 120.570 -0.101 0.000 2.692 695 I HA 0.395 4.566 4.170 0.001 0.000 0.284 695 I C 1.476 177.768 176.117 0.291 0.000 1.159 695 I CA 0.766 62.104 61.300 0.064 0.000 1.423 695 I CB 1.064 39.087 38.000 0.039 0.000 1.380 695 I HN 0.231 nan 8.210 nan 0.000 0.580 696 G N 4.165 113.178 108.800 0.354 0.000 2.278 696 G HA2 -0.176 3.784 3.960 0.001 0.000 0.210 696 G HA3 -0.176 3.784 3.960 0.001 0.000 0.210 696 G C 0.441 175.535 174.900 0.323 0.000 1.000 696 G CA -0.571 44.822 45.100 0.489 0.000 0.635 696 G HN 0.689 nan 8.290 nan 0.000 0.495 697 R N 0.884 121.453 120.500 0.115 0.000 2.623 697 R HA 0.427 4.768 4.340 0.001 0.000 0.271 697 R C 1.338 177.681 176.300 0.072 0.000 1.043 697 R CA 1.014 57.112 56.100 -0.003 0.000 1.083 697 R CB 0.275 30.493 30.300 -0.137 0.000 0.974 697 R HN 1.561 nan 8.270 nan 0.000 0.436 698 G N 0.953 109.750 108.800 -0.005 0.000 2.171 698 G HA2 -0.260 3.700 3.960 0.001 0.000 0.238 698 G HA3 -0.260 3.700 3.960 0.001 0.000 0.238 698 G C 0.090 174.768 174.900 -0.371 0.000 1.039 698 G CA 0.636 45.692 45.100 -0.074 0.000 0.759 698 G HN 0.824 nan 8.290 nan 0.000 0.501 699 T N -1.347 113.012 114.554 -0.325 0.000 2.718 699 T HA 0.665 5.015 4.350 0.001 0.000 0.306 699 T C 0.529 175.143 174.700 -0.145 0.000 1.485 699 T CA 0.907 62.757 62.100 -0.417 0.000 0.997 699 T CB 0.713 69.053 68.868 -0.880 0.000 1.504 699 T HN 1.643 nan 8.240 nan 0.000 0.497 700 S N 1.280 116.914 115.700 -0.111 0.000 2.558 700 S HA 0.150 4.620 4.470 0.001 0.000 0.288 700 S C 1.564 176.178 174.600 0.024 0.000 1.318 700 S CA 0.524 58.697 58.200 -0.046 0.000 1.056 700 S CB 0.326 63.499 63.200 -0.045 0.000 0.853 700 S HN 0.820 nan 8.310 nan 0.000 0.505 701 T N 2.065 116.625 114.554 0.011 0.000 2.620 701 T HA -0.211 4.139 4.350 0.001 0.000 0.267 701 T C 1.263 176.031 174.700 0.113 0.000 1.044 701 T CA 2.198 64.347 62.100 0.082 0.000 1.161 701 T CB -0.699 68.129 68.868 -0.067 0.000 0.862 701 T HN 0.710 nan 8.240 nan 0.000 0.438 702 Y N 1.656 121.927 120.300 -0.048 0.000 2.184 702 Y HA -0.021 4.529 4.550 0.001 0.000 0.290 702 Y C 2.459 178.300 175.900 -0.099 0.000 1.129 702 Y CA 0.202 58.242 58.100 -0.100 0.000 1.144 702 Y CB -1.058 37.355 38.460 -0.080 0.000 0.995 702 Y HN 0.229 nan 8.280 nan 0.000 0.513 703 D N -0.939 119.531 120.400 0.117 0.000 2.149 703 D HA -0.122 4.519 4.640 0.001 0.000 0.198 703 D C 2.398 178.742 176.300 0.074 0.000 0.990 703 D CA 1.534 55.574 54.000 0.067 0.000 0.839 703 D CB -0.627 40.205 40.800 0.054 0.000 0.948 703 D HN 0.399 nan 8.370 nan 0.000 0.460 704 G N 0.181 109.034 108.800 0.089 0.000 2.492 704 G HA2 -0.106 3.855 3.960 0.001 0.000 0.214 704 G HA3 -0.106 3.855 3.960 0.001 0.000 0.214 704 G C 1.490 176.364 174.900 -0.044 0.000 1.147 704 G CA 0.129 45.343 45.100 0.190 0.000 0.809 704 G HN 0.239 nan 8.290 nan 0.000 0.533 705 L N 1.023 121.966 121.223 -0.467 0.000 2.141 705 L HA 0.110 4.451 4.340 0.001 0.000 0.209 705 L C 2.575 179.296 176.870 -0.247 0.000 1.094 705 L CA 2.024 56.339 54.840 -0.875 0.000 0.763 705 L CB -0.425 41.196 42.059 -0.730 0.000 0.908 705 L HN 0.109 nan 8.230 nan 0.000 0.437 706 S N -0.835 114.794 115.700 -0.119 0.000 2.414 706 S HA 0.026 4.496 4.470 0.001 0.000 0.227 706 S C 1.834 176.467 174.600 0.055 0.000 1.022 706 S CA 1.193 59.360 58.200 -0.055 0.000 0.958 706 S CB -0.196 62.961 63.200 -0.071 0.000 0.797 706 S HN 0.436 nan 8.310 nan 0.000 0.493 707 L N 0.847 122.127 121.223 0.095 0.000 2.127 707 L HA 0.071 4.411 4.340 0.001 0.000 0.203 707 L C 2.647 179.642 176.870 0.208 0.000 1.080 707 L CA 0.883 55.812 54.840 0.148 0.000 0.768 707 L CB -0.616 41.555 42.059 0.188 0.000 0.924 707 L HN 0.259 nan 8.230 nan 0.000 0.444 708 A N 0.064 123.045 122.820 0.268 0.000 1.842 708 A HA -0.311 4.010 4.320 0.001 0.000 0.217 708 A C 2.148 179.859 177.584 0.212 0.000 1.206 708 A CA 1.902 54.192 52.037 0.421 0.000 0.630 708 A CB -1.458 17.865 19.000 0.538 0.000 0.839 708 A HN 0.632 nan 8.150 nan 0.000 0.447 709 W N 0.494 121.766 121.300 -0.048 0.000 2.290 709 W HA -0.335 4.326 4.660 0.000 0.000 0.323 709 W C 2.512 178.955 176.519 -0.127 0.000 1.260 709 W CA 3.138 60.406 57.345 -0.128 0.000 1.266 709 W CB -0.700 28.681 29.460 -0.131 0.000 1.149 709 W HN 0.469 nan 8.180 nan 0.000 0.482 710 A N -0.393 122.580 122.820 0.254 0.000 1.898 710 A HA -0.215 4.105 4.320 0.001 0.000 0.216 710 A C 2.186 179.793 177.584 0.039 0.000 1.181 710 A CA 1.877 54.004 52.037 0.150 0.000 0.620 710 A CB -1.455 17.611 19.000 0.110 0.000 0.819 710 A HN 0.369 nan 8.150 nan 0.000 0.442 711 C N -1.051 118.279 119.300 0.050 0.000 2.413 711 C HA -0.027 4.433 4.460 0.001 0.000 0.278 711 C C 3.353 178.288 174.990 -0.092 0.000 1.224 711 C CA 1.076 60.119 59.018 0.042 0.000 1.732 711 C CB -1.364 26.511 27.740 0.224 0.000 2.050 711 C HN 0.711 nan 8.230 nan 0.000 0.463 712 A N 0.225 122.833 122.820 -0.352 0.000 1.908 712 A HA -0.229 4.091 4.320 0.001 0.000 0.218 712 A C 2.036 179.408 177.584 -0.353 0.000 1.181 712 A CA 1.917 53.589 52.037 -0.608 0.000 0.627 712 A CB -0.667 17.671 19.000 -1.104 0.000 0.818 712 A HN 0.735 nan 8.150 nan 0.000 0.445 713 E N -0.587 119.439 120.200 -0.290 0.000 2.033 713 E HA -0.282 4.068 4.350 0.001 0.000 0.199 713 E C 2.060 178.594 176.600 -0.108 0.000 1.011 713 E CA 1.553 57.849 56.400 -0.172 0.000 0.815 713 E CB -0.337 29.328 29.700 -0.058 0.000 0.755 713 E HN 0.670 nan 8.360 nan 0.000 0.451 714 N N 0.750 119.403 118.700 -0.078 0.000 2.036 714 N HA -0.169 4.572 4.740 0.001 0.000 0.195 714 N C 1.889 177.359 175.510 -0.067 0.000 1.037 714 N CA 1.160 54.175 53.050 -0.058 0.000 0.855 714 N CB -0.223 38.236 38.487 -0.047 0.000 1.033 714 N HN 0.059 nan 8.380 nan 0.000 0.423 715 L N -0.761 120.417 121.223 -0.076 0.000 2.141 715 L HA -0.029 4.312 4.340 0.001 0.000 0.209 715 L C 2.176 179.005 176.870 -0.069 0.000 1.094 715 L CA 1.122 55.925 54.840 -0.063 0.000 0.763 715 L CB -0.307 41.733 42.059 -0.031 0.000 0.908 715 L HN 0.248 nan 8.230 nan 0.000 0.437 716 A N -0.544 122.218 122.820 -0.097 0.000 1.984 716 A HA -0.057 4.263 4.320 0.001 0.000 0.214 716 A C 1.879 179.417 177.584 -0.076 0.000 1.173 716 A CA 1.070 53.051 52.037 -0.093 0.000 0.673 716 A CB -0.285 18.636 19.000 -0.132 0.000 0.830 716 A HN 0.430 nan 8.150 nan 0.000 0.453 717 N N -1.103 117.554 118.700 -0.072 0.000 2.414 717 N HA -0.008 4.732 4.740 0.001 0.000 0.189 717 N C 1.841 177.325 175.510 -0.043 0.000 1.039 717 N CA 0.503 53.521 53.050 -0.053 0.000 0.889 717 N CB 0.055 38.515 38.487 -0.045 0.000 1.085 717 N HN 0.216 nan 8.380 nan 0.000 0.442 718 K N 2.056 122.432 120.400 -0.041 0.000 1.995 718 K HA -0.012 4.308 4.320 0.001 0.000 0.217 718 K C 1.984 178.563 176.600 -0.036 0.000 1.030 718 K CA 0.806 57.074 56.287 -0.032 0.000 0.971 718 K CB -0.565 31.919 32.500 -0.027 0.000 0.775 718 K HN 0.032 nan 8.250 nan 0.000 0.446 719 I N 1.467 122.013 120.570 -0.039 0.000 2.121 719 I HA -0.374 3.796 4.170 0.001 0.000 0.243 719 I C 0.723 176.808 176.117 -0.052 0.000 1.047 719 I CA 1.997 63.272 61.300 -0.041 0.000 1.308 719 I CB -0.742 37.226 38.000 -0.053 0.000 1.015 719 I HN 0.497 nan 8.210 nan 0.000 0.410 720 K N -0.465 119.900 120.400 -0.057 0.000 3.281 720 K HA -0.163 4.157 4.320 0.001 0.000 0.295 720 K C 0.399 176.959 176.600 -0.066 0.000 1.233 720 K CA 0.563 56.811 56.287 -0.066 0.000 0.866 720 K CB -2.200 30.253 32.500 -0.079 0.000 1.265 720 K HN 0.518 nan 8.250 nan 0.000 0.482 721 A N 1.006 123.799 122.820 -0.044 0.000 2.448 721 A HA 0.310 4.631 4.320 0.001 0.000 0.239 721 A C 0.737 178.317 177.584 -0.007 0.000 1.080 721 A CA -0.127 51.900 52.037 -0.017 0.000 0.779 721 A CB 0.260 19.262 19.000 0.002 0.000 1.026 721 A HN 0.315 nan 8.150 nan 0.000 0.499 722 L N 1.837 123.069 121.223 0.015 0.000 2.315 722 L HA 0.294 4.634 4.340 0.001 0.000 0.283 722 L C -0.105 176.790 176.870 0.041 0.000 1.089 722 L CA 0.144 54.998 54.840 0.023 0.000 0.833 722 L CB 0.393 42.471 42.059 0.031 0.000 1.170 722 L HN 0.716 nan 8.230 nan 0.000 0.442 723 T N 4.678 119.258 114.554 0.044 0.000 2.848 723 T HA 0.526 4.876 4.350 0.001 0.000 0.285 723 T C -0.259 174.499 174.700 0.096 0.000 0.995 723 T CA -0.512 61.633 62.100 0.076 0.000 0.970 723 T CB 1.785 70.709 68.868 0.094 0.000 0.976 723 T HN 0.288 nan 8.240 nan 0.000 0.441 724 L N 3.306 124.590 121.223 0.102 0.000 2.277 724 L HA 0.511 4.851 4.340 0.001 0.000 0.284 724 L C -0.871 176.096 176.870 0.162 0.000 1.028 724 L CA -0.718 54.197 54.840 0.124 0.000 0.835 724 L CB 0.690 42.790 42.059 0.067 0.000 1.215 724 L HN 0.627 nan 8.230 nan 0.000 0.425 725 F N 3.647 123.625 119.950 0.047 0.000 2.300 725 F HA 0.549 5.076 4.527 0.001 0.000 0.364 725 F C 0.763 176.607 175.800 0.073 0.000 1.090 725 F CA -0.719 57.309 58.000 0.046 0.000 1.200 725 F CB 0.680 39.694 39.000 0.023 0.000 1.493 725 F HN 0.505 nan 8.300 nan 0.000 0.518 726 A N 3.938 126.744 122.820 -0.024 0.000 2.492 726 A HA 0.490 4.811 4.320 0.001 0.000 0.254 726 A C 0.213 177.794 177.584 -0.005 0.000 1.091 726 A CA 0.290 52.345 52.037 0.029 0.000 0.768 726 A CB 0.313 19.314 19.000 0.002 0.000 1.028 726 A HN 0.630 nan 8.150 nan 0.000 0.498 727 T N 0.009 114.659 114.554 0.159 0.000 2.883 727 T HA 0.496 4.846 4.350 0.001 0.000 0.301 727 T C 0.701 175.548 174.700 0.245 0.000 1.158 727 T CA -0.265 61.974 62.100 0.232 0.000 1.007 727 T CB 0.800 69.945 68.868 0.460 0.000 1.186 727 T HN 0.851 nan 8.240 nan 0.000 0.499 728 H N 1.471 120.504 119.070 -0.061 0.000 2.595 728 H HA 0.211 4.767 4.556 0.000 0.000 0.265 728 H C -0.333 174.999 175.328 0.006 0.000 0.953 728 H CA -0.016 55.994 56.048 -0.063 0.000 1.197 728 H CB -0.726 28.938 29.762 -0.164 0.000 1.438 728 H HN 0.461 nan 8.280 nan 0.000 0.531 729 Y N 2.765 123.054 120.300 -0.017 0.000 2.637 729 Y HA 0.053 4.604 4.550 0.001 0.000 0.350 729 Y C 1.194 177.092 175.900 -0.003 0.000 1.069 729 Y CA -0.596 57.407 58.100 -0.162 0.000 1.397 729 Y CB -0.309 38.096 38.460 -0.092 0.000 1.163 729 Y HN 0.177 nan 8.280 nan 0.000 0.527 730 F N -0.211 119.834 119.950 0.158 0.000 2.408 730 F HA -0.059 4.468 4.527 0.000 0.000 0.300 730 F C 1.275 177.169 175.800 0.156 0.000 1.090 730 F CA 0.789 58.869 58.000 0.134 0.000 1.427 730 F CB -0.348 38.702 39.000 0.084 0.000 1.070 730 F HN 0.313 nan 8.300 nan 0.000 0.549 731 E N 1.270 121.248 120.200 -0.372 0.000 2.208 731 E HA -0.038 4.312 4.350 0.001 0.000 0.193 731 E C 2.094 178.807 176.600 0.189 0.000 0.988 731 E CA 0.778 57.087 56.400 -0.153 0.000 0.828 731 E CB -0.334 29.179 29.700 -0.313 0.000 0.763 731 E HN 0.494 nan 8.360 nan 0.000 0.478 732 L N 0.976 122.289 121.223 0.150 0.000 2.456 732 L HA -0.085 4.256 4.340 0.001 0.000 0.224 732 L C 2.022 178.859 176.870 -0.055 0.000 1.148 732 L CA 1.375 56.210 54.840 -0.008 0.000 0.825 732 L CB -0.772 41.310 42.059 0.039 0.000 0.937 732 L HN 0.349 nan 8.230 nan 0.000 0.450 733 T N -4.435 110.168 114.554 0.082 0.000 3.118 733 T HA -0.085 4.266 4.350 0.001 0.000 0.260 733 T C 1.511 176.246 174.700 0.058 0.000 1.139 733 T CA 0.231 62.382 62.100 0.085 0.000 1.085 733 T CB -0.002 68.965 68.868 0.165 0.000 0.934 733 T HN 0.278 nan 8.240 nan 0.000 0.518 734 Q N 0.240 120.083 119.800 0.073 0.000 2.444 734 Q HA 0.308 4.649 4.340 0.001 0.000 0.206 734 Q C 1.951 177.939 176.000 -0.020 0.000 0.948 734 Q CA 0.043 55.899 55.803 0.087 0.000 0.946 734 Q CB -0.163 28.699 28.738 0.206 0.000 1.027 734 Q HN 0.516 nan 8.270 nan 0.000 0.513 735 L N 0.964 122.063 121.223 -0.208 0.000 2.056 735 L HA -0.105 4.236 4.340 0.001 0.000 0.207 735 L C -0.647 176.117 176.870 -0.177 0.000 1.078 735 L CA 1.145 55.775 54.840 -0.350 0.000 0.749 735 L CB -1.125 40.605 42.059 -0.548 0.000 0.901 735 L HN 0.112 nan 8.230 nan 0.000 0.433 736 P HA -0.202 nan 4.420 nan 0.000 0.216 736 P C 1.098 178.378 177.300 -0.033 0.000 1.150 736 P CA 1.378 64.441 63.100 -0.061 0.000 0.843 736 P CB 0.074 31.756 31.700 -0.030 0.000 0.787 737 E N -0.530 119.662 120.200 -0.013 0.000 2.150 737 E HA -0.145 4.206 4.350 0.001 0.000 0.193 737 E C 1.782 178.390 176.600 0.013 0.000 0.985 737 E CA 0.998 57.404 56.400 0.011 0.000 0.814 737 E CB -0.177 29.544 29.700 0.034 0.000 0.752 737 E HN 0.302 nan 8.360 nan 0.000 0.466 738 K N -0.265 120.140 120.400 0.008 0.000 2.284 738 K HA 0.144 4.464 4.320 0.001 0.000 0.198 738 K C 0.857 177.454 176.600 -0.004 0.000 1.048 738 K CA 0.481 56.784 56.287 0.026 0.000 0.987 738 K CB 0.403 32.956 32.500 0.087 0.000 0.800 738 K HN 0.220 nan 8.250 nan 0.000 0.486 739 M N -0.380 119.195 119.600 -0.041 0.000 2.433 739 M HA 0.407 4.887 4.480 0.001 0.000 0.290 739 M C -0.587 175.683 176.300 -0.051 0.000 1.173 739 M CA -0.802 54.469 55.300 -0.048 0.000 0.905 739 M CB 2.600 35.158 32.600 -0.071 0.000 1.692 739 M HN -0.285 nan 8.290 nan 0.000 0.462 740 E N 0.967 121.144 120.200 -0.038 0.000 2.404 740 E HA 0.300 4.651 4.350 0.001 0.000 0.261 740 E C 1.016 177.590 176.600 -0.043 0.000 1.074 740 E CA 1.910 58.290 56.400 -0.033 0.000 0.917 740 E CB 0.952 30.637 29.700 -0.025 0.000 0.965 740 E HN 0.981 nan 8.360 nan 0.000 0.433 741 G N 2.167 110.945 108.800 -0.036 0.000 2.199 741 G HA2 -0.252 3.708 3.960 0.001 0.000 0.254 741 G HA3 -0.252 3.708 3.960 0.001 0.000 0.254 741 G C 0.032 174.906 174.900 -0.043 0.000 0.982 741 G CA 0.308 45.385 45.100 -0.037 0.000 0.632 741 G HN 0.439 nan 8.290 nan 0.000 0.529 742 V N 0.921 120.802 119.914 -0.055 0.000 2.483 742 V HA 0.862 4.982 4.120 0.001 0.000 0.295 742 V C 0.543 176.613 176.094 -0.040 0.000 1.035 742 V CA 0.028 62.289 62.300 -0.065 0.000 0.896 742 V CB 1.428 33.180 31.823 -0.119 0.000 0.986 742 V HN 1.272 nan 8.190 nan 0.000 0.447 743 A N 3.915 126.723 122.820 -0.020 0.000 2.485 743 A HA 0.793 5.114 4.320 0.001 0.000 0.292 743 A C -0.742 176.851 177.584 0.015 0.000 1.147 743 A CA -0.840 51.196 52.037 -0.002 0.000 0.750 743 A CB 1.464 20.468 19.000 0.006 0.000 1.331 743 A HN 0.659 nan 8.150 nan 0.000 0.419 744 N N 0.647 119.362 118.700 0.026 0.000 2.457 744 N HA 0.497 5.237 4.740 0.001 0.000 0.250 744 N C -0.365 175.167 175.510 0.036 0.000 0.982 744 N CA -0.043 53.039 53.050 0.052 0.000 0.941 744 N CB 1.462 39.993 38.487 0.073 0.000 1.120 744 N HN 0.633 nan 8.380 nan 0.000 0.505 745 V N 0.045 119.986 119.914 0.044 0.000 3.096 745 V HA 0.732 4.852 4.120 0.001 0.000 0.319 745 V C -0.099 176.023 176.094 0.047 0.000 1.103 745 V CA -0.735 61.549 62.300 -0.027 0.000 1.016 745 V CB 2.198 33.998 31.823 -0.038 0.000 1.090 745 V HN 0.804 nan 8.190 nan 0.000 0.449 746 H N 0.063 119.138 119.070 0.008 0.000 3.014 746 H HA 0.673 5.230 4.556 0.001 0.000 0.337 746 H C -2.175 173.146 175.328 -0.012 0.000 1.320 746 H CA -1.139 54.923 56.048 0.024 0.000 1.128 746 H CB 1.952 31.751 29.762 0.061 0.000 1.862 746 H HN 0.583 nan 8.280 nan 0.000 0.536 747 L N 2.330 123.715 121.223 0.269 0.000 2.309 747 L HA 0.232 4.573 4.340 0.001 0.000 0.282 747 L C 0.130 177.159 176.870 0.265 0.000 1.036 747 L CA -0.315 54.646 54.840 0.201 0.000 0.806 747 L CB 1.404 43.531 42.059 0.114 0.000 1.220 747 L HN 0.730 nan 8.230 nan 0.000 0.429 748 D N 2.041 122.572 120.400 0.218 0.000 2.595 748 D HA 0.868 5.508 4.640 0.001 0.000 0.268 748 D C -0.837 175.455 176.300 -0.014 0.000 1.181 748 D CA -0.675 53.401 54.000 0.125 0.000 1.085 748 D CB 1.581 42.465 40.800 0.140 0.000 1.186 748 D HN 0.605 nan 8.370 nan 0.000 0.621 749 A N -1.479 121.262 122.820 -0.132 0.000 2.610 749 A HA 0.580 4.900 4.320 0.001 0.000 0.291 749 A C -2.150 175.294 177.584 -0.232 0.000 1.086 749 A CA -0.727 51.071 52.037 -0.399 0.000 0.677 749 A CB 1.285 19.601 19.000 -1.139 0.000 1.278 749 A HN 0.471 nan 8.150 nan 0.000 0.414 750 L N 0.775 121.853 121.223 -0.241 0.000 2.406 750 L HA 0.551 4.892 4.340 0.001 0.000 0.270 750 L C -0.390 176.473 176.870 -0.013 0.000 0.982 750 L CA -0.056 54.743 54.840 -0.068 0.000 0.843 750 L CB 1.435 43.476 42.059 -0.030 0.000 1.225 750 L HN 0.789 nan 8.230 nan 0.000 0.412 751 E N 3.265 123.468 120.200 0.004 0.000 2.257 751 E HA 0.404 4.754 4.350 0.001 0.000 0.278 751 E C -1.153 175.488 176.600 0.067 0.000 1.049 751 E CA 0.231 56.626 56.400 -0.008 0.000 0.876 751 E CB 0.332 30.035 29.700 0.006 0.000 1.035 751 E HN 0.674 nan 8.360 nan 0.000 0.419 752 H N 1.594 120.633 119.070 -0.052 0.000 3.012 752 H HA 0.610 5.167 4.556 0.001 0.000 0.367 752 H C 0.709 176.019 175.328 -0.030 0.000 1.211 752 H CA -0.548 55.477 56.048 -0.038 0.000 1.139 752 H CB 0.947 30.683 29.762 -0.043 0.000 1.838 752 H HN 0.547 nan 8.280 nan 0.000 0.550 753 G N 1.663 110.482 108.800 0.032 0.000 2.660 753 G HA2 -0.444 3.516 3.960 0.001 0.000 0.321 753 G HA3 -0.444 3.516 3.960 0.001 0.000 0.321 753 G C 0.473 175.323 174.900 -0.083 0.000 1.246 753 G CA 1.178 46.269 45.100 -0.016 0.000 1.000 753 G HN 0.945 nan 8.290 nan 0.000 0.550 754 D N 1.221 121.552 120.400 -0.114 0.000 2.643 754 D HA 0.483 5.123 4.640 0.001 0.000 0.244 754 D C 0.714 176.930 176.300 -0.141 0.000 1.257 754 D CA 0.944 54.885 54.000 -0.098 0.000 0.831 754 D CB -0.058 40.710 40.800 -0.054 0.000 1.043 754 D HN 0.720 nan 8.370 nan 0.000 0.488 755 T N -2.345 112.053 114.554 -0.260 0.000 2.754 755 T HA 0.485 4.836 4.350 0.001 0.000 0.296 755 T C -0.598 173.906 174.700 -0.328 0.000 1.205 755 T CA -0.812 61.121 62.100 -0.277 0.000 1.009 755 T CB 1.428 70.110 68.868 -0.309 0.000 1.368 755 T HN 0.010 nan 8.240 nan 0.000 0.509 756 I N 0.389 120.813 120.570 -0.243 0.000 2.603 756 I HA 0.693 4.863 4.170 0.001 0.000 0.300 756 I C -0.951 175.008 176.117 -0.263 0.000 1.017 756 I CA -1.148 59.976 61.300 -0.295 0.000 1.098 756 I CB 1.627 39.436 38.000 -0.318 0.000 1.279 756 I HN 0.965 nan 8.210 nan 0.000 0.437 757 A N 6.706 129.358 122.820 -0.281 0.000 2.360 757 A HA 0.520 4.840 4.320 0.001 0.000 0.309 757 A C -1.153 176.233 177.584 -0.331 0.000 1.311 757 A CA -0.342 51.617 52.037 -0.131 0.000 0.805 757 A CB -0.115 18.929 19.000 0.074 0.000 1.144 757 A HN 0.526 nan 8.150 nan 0.000 0.486 758 F N 3.423 123.318 119.950 -0.092 0.000 2.512 758 F HA 0.195 4.722 4.527 0.000 0.000 0.350 758 F C 0.778 176.537 175.800 -0.070 0.000 1.212 758 F CA -0.124 57.807 58.000 -0.115 0.000 1.099 758 F CB 0.273 39.211 39.000 -0.103 0.000 1.238 758 F HN 0.410 nan 8.300 nan 0.000 0.600 759 M N 2.701 122.317 119.600 0.026 0.000 2.252 759 M HA -0.043 4.437 4.480 0.001 0.000 0.329 759 M C 1.070 177.444 176.300 0.124 0.000 1.101 759 M CA 0.313 55.633 55.300 0.034 0.000 1.117 759 M CB -0.102 32.500 32.600 0.003 0.000 1.563 759 M HN 0.363 nan 8.290 nan 0.000 0.445 760 H N -0.526 118.501 119.070 -0.072 0.000 2.505 760 H HA 0.346 4.903 4.556 0.001 0.000 0.289 760 H C -0.253 174.994 175.328 -0.136 0.000 1.052 760 H CA -0.084 55.891 56.048 -0.122 0.000 1.156 760 H CB 0.447 30.069 29.762 -0.234 0.000 1.507 760 H HN 0.511 nan 8.280 nan 0.000 0.548 761 S N 0.533 116.216 115.700 -0.028 0.000 2.456 761 S HA 0.427 4.898 4.470 0.001 0.000 0.316 761 S C -0.607 173.911 174.600 -0.136 0.000 1.089 761 S CA -0.660 57.490 58.200 -0.083 0.000 1.101 761 S CB 0.350 63.525 63.200 -0.041 0.000 0.995 761 S HN 0.017 nan 8.310 nan 0.000 0.468 762 V N 6.673 126.442 119.914 -0.243 0.000 2.461 762 V HA 0.396 4.516 4.120 0.001 0.000 0.275 762 V C 0.091 176.046 176.094 -0.232 0.000 1.047 762 V CA -0.326 61.781 62.300 -0.322 0.000 0.955 762 V CB 1.087 32.531 31.823 -0.632 0.000 0.988 762 V HN 0.809 nan 8.190 nan 0.000 0.471 763 Q N 2.675 122.303 119.800 -0.287 0.000 2.387 763 Q HA 0.470 4.810 4.340 0.001 0.000 0.273 763 Q C -1.173 174.601 176.000 -0.377 0.000 1.089 763 Q CA -0.957 54.658 55.803 -0.313 0.000 0.824 763 Q CB 2.392 30.912 28.738 -0.364 0.000 1.367 763 Q HN 0.641 nan 8.270 nan 0.000 0.443 764 D N 0.581 120.847 120.400 -0.223 0.000 2.361 764 D HA 0.324 4.965 4.640 0.001 0.000 0.239 764 D C 0.700 176.893 176.300 -0.178 0.000 1.200 764 D CA 0.985 54.892 54.000 -0.155 0.000 0.915 764 D CB 0.654 41.414 40.800 -0.067 0.000 1.170 764 D HN 0.781 nan 8.370 nan 0.000 0.444 765 G N -0.640 108.131 108.800 -0.049 0.000 2.746 765 G HA2 0.183 4.144 3.960 0.001 0.000 0.685 765 G HA3 0.183 4.144 3.960 0.001 0.000 0.685 765 G C -0.287 174.763 174.900 0.251 0.000 1.350 765 G CA -0.374 44.771 45.100 0.076 0.000 0.837 765 G HN 0.711 nan 8.290 nan 0.000 0.564 766 A N 0.209 123.184 122.820 0.257 0.000 2.366 766 A HA 0.884 5.204 4.320 0.001 0.000 0.249 766 A C 1.114 178.852 177.584 0.258 0.000 1.084 766 A CA 1.053 53.251 52.037 0.268 0.000 0.794 766 A CB 0.433 19.531 19.000 0.163 0.000 1.034 766 A HN 2.599 nan 8.150 nan 0.000 0.491 767 A N 0.856 123.706 122.820 0.051 0.000 2.409 767 A HA 0.471 4.791 4.320 0.001 0.000 0.267 767 A C 1.052 178.529 177.584 -0.178 0.000 1.127 767 A CA 0.147 51.996 52.037 -0.314 0.000 0.795 767 A CB -0.086 18.843 19.000 -0.118 0.000 1.061 767 A HN 0.997 nan 8.150 nan 0.000 0.502 768 S N 1.596 117.161 115.700 -0.224 0.000 2.561 768 S HA 0.056 4.526 4.470 0.001 0.000 0.225 768 S C 0.528 175.030 174.600 -0.162 0.000 0.977 768 S CA 0.801 58.917 58.200 -0.139 0.000 0.926 768 S CB -0.166 62.974 63.200 -0.100 0.000 0.769 768 S HN 0.718 nan 8.310 nan 0.000 0.533 769 K N 1.032 121.327 120.400 -0.175 0.000 2.532 769 K HA 0.444 4.764 4.320 0.001 0.000 0.265 769 K C -0.976 175.444 176.600 -0.299 0.000 0.948 769 K CA -0.538 55.572 56.287 -0.295 0.000 0.842 769 K CB 2.148 34.373 32.500 -0.457 0.000 1.392 769 K HN 0.163 nan 8.250 nan 0.000 0.436 770 S N 0.208 115.676 115.700 -0.387 0.000 2.638 770 S HA 0.500 4.970 4.470 0.001 0.000 0.298 770 S C -0.331 173.992 174.600 -0.462 0.000 1.111 770 S CA -0.514 57.551 58.200 -0.224 0.000 1.027 770 S CB 0.518 63.672 63.200 -0.076 0.000 1.064 770 S HN 0.734 nan 8.310 nan 0.000 0.525 771 Y N -0.308 120.048 120.300 0.093 0.000 2.672 771 Y HA 0.358 4.908 4.550 0.000 0.000 0.252 771 Y C 2.108 178.077 175.900 0.116 0.000 1.132 771 Y CA -0.595 57.572 58.100 0.112 0.000 1.228 771 Y CB 0.003 38.580 38.460 0.195 0.000 1.310 771 Y HN 0.812 nan 8.280 nan 0.000 0.549 772 G N 1.260 110.179 108.800 0.199 0.000 2.505 772 G HA2 -0.258 3.702 3.960 0.001 0.000 0.220 772 G HA3 -0.258 3.702 3.960 0.001 0.000 0.220 772 G C 1.510 176.471 174.900 0.102 0.000 1.145 772 G CA 1.309 46.488 45.100 0.132 0.000 0.761 772 G HN 0.358 nan 8.290 nan 0.000 0.571 773 L N 0.294 121.560 121.223 0.072 0.000 2.072 773 L HA 0.038 4.378 4.340 0.001 0.000 0.205 773 L C 3.446 180.350 176.870 0.058 0.000 1.079 773 L CA 0.847 55.715 54.840 0.046 0.000 0.752 773 L CB -0.530 41.538 42.059 0.013 0.000 0.906 773 L HN 0.331 nan 8.230 nan 0.000 0.436 774 A N -0.070 122.800 122.820 0.083 0.000 1.908 774 A HA -0.178 4.142 4.320 0.001 0.000 0.218 774 A C 2.291 179.935 177.584 0.101 0.000 1.181 774 A CA 1.943 54.037 52.037 0.095 0.000 0.627 774 A CB -0.826 18.270 19.000 0.161 0.000 0.818 774 A HN 0.219 nan 8.150 nan 0.000 0.445 775 V N -0.412 119.588 119.914 0.144 0.000 2.548 775 V HA -0.172 3.948 4.120 0.001 0.000 0.249 775 V C 2.986 179.125 176.094 0.075 0.000 1.055 775 V CA 1.641 64.017 62.300 0.127 0.000 1.065 775 V CB -1.048 30.872 31.823 0.162 0.000 0.681 775 V HN 0.628 nan 8.190 nan 0.000 0.462 776 A N 0.173 123.032 122.820 0.066 0.000 1.902 776 A HA -0.109 4.211 4.320 0.001 0.000 0.217 776 A C 2.439 180.042 177.584 0.031 0.000 1.181 776 A CA 2.022 54.084 52.037 0.042 0.000 0.623 776 A CB -0.728 18.295 19.000 0.037 0.000 0.818 776 A HN 0.543 nan 8.150 nan 0.000 0.443 777 A N -0.135 122.703 122.820 0.031 0.000 1.877 777 A HA -0.033 4.288 4.320 0.001 0.000 0.216 777 A C 1.982 179.575 177.584 0.016 0.000 1.186 777 A CA 1.462 53.510 52.037 0.019 0.000 0.620 777 A CB -0.606 18.403 19.000 0.015 0.000 0.822 777 A HN 0.447 nan 8.150 nan 0.000 0.443 778 L N -1.063 120.172 121.223 0.021 0.000 2.549 778 L HA -0.071 4.269 4.340 0.001 0.000 0.229 778 L C 2.329 179.208 176.870 0.016 0.000 1.158 778 L CA 0.944 55.793 54.840 0.014 0.000 0.842 778 L CB -0.594 41.476 42.059 0.018 0.000 0.952 778 L HN 0.501 nan 8.230 nan 0.000 0.452 779 A N -0.991 121.841 122.820 0.020 0.000 2.390 779 A HA 0.462 4.782 4.320 0.001 0.000 0.232 779 A C 1.620 179.211 177.584 0.012 0.000 1.233 779 A CA 0.661 52.708 52.037 0.017 0.000 0.907 779 A CB 0.348 19.362 19.000 0.022 0.000 0.967 779 A HN 0.435 nan 8.150 nan 0.000 0.512 780 G N -1.354 107.452 108.800 0.010 0.000 2.184 780 G HA2 -0.165 3.795 3.960 0.001 0.000 0.206 780 G HA3 -0.165 3.795 3.960 0.001 0.000 0.206 780 G C 0.175 175.079 174.900 0.007 0.000 0.995 780 G CA -0.109 44.995 45.100 0.007 0.000 0.651 780 G HN 0.730 nan 8.290 nan 0.000 0.511 781 V N 2.670 122.590 119.914 0.010 0.000 2.557 781 V HA 0.259 4.379 4.120 0.001 0.000 0.301 781 V C -1.155 174.943 176.094 0.007 0.000 1.026 781 V CA -0.451 61.854 62.300 0.009 0.000 1.137 781 V CB 0.600 32.431 31.823 0.012 0.000 0.917 781 V HN 0.201 nan 8.190 nan 0.000 0.484 782 P HA -0.001 nan 4.420 nan 0.000 0.261 782 P C 0.831 178.133 177.300 0.003 0.000 1.173 782 P CA 0.036 63.138 63.100 0.003 0.000 0.760 782 P CB 0.444 32.145 31.700 0.003 0.000 0.783 783 K N 3.277 123.678 120.400 0.001 0.000 2.169 783 K HA -0.306 4.015 4.320 0.001 0.000 0.213 783 K C 1.674 178.274 176.600 -0.000 0.000 1.050 783 K CA 2.431 58.718 56.287 0.000 0.000 0.935 783 K CB -0.102 32.397 32.500 -0.001 0.000 0.722 783 K HN 0.498 nan 8.250 nan 0.000 0.468 784 E N -0.840 119.360 120.200 -0.000 0.000 2.190 784 E HA -0.033 4.317 4.350 0.001 0.000 0.191 784 E C 1.598 178.198 176.600 -0.000 0.000 0.978 784 E CA 0.713 57.113 56.400 -0.001 0.000 0.839 784 E CB 0.126 29.825 29.700 -0.001 0.000 0.787 784 E HN 0.125 nan 8.360 nan 0.000 0.473 785 V N 0.753 120.667 119.914 0.001 0.000 2.295 785 V HA -0.231 3.889 4.120 0.001 0.000 0.246 785 V C 2.211 178.306 176.094 0.003 0.000 1.049 785 V CA 1.595 63.897 62.300 0.002 0.000 1.024 785 V CB -0.464 31.361 31.823 0.004 0.000 0.648 785 V HN 0.275 nan 8.190 nan 0.000 0.447 786 I N -0.361 120.211 120.570 0.003 0.000 2.208 786 I HA -0.221 3.950 4.170 0.001 0.000 0.245 786 I C 2.460 178.576 176.117 -0.001 0.000 1.097 786 I CA 1.618 62.920 61.300 0.003 0.000 1.363 786 I CB -0.553 37.450 38.000 0.004 0.000 1.051 786 I HN 0.213 nan 8.210 nan 0.000 0.413 787 K N -0.163 120.236 120.400 -0.002 0.000 1.985 787 K HA -0.183 4.137 4.320 0.001 0.000 0.210 787 K C 2.335 178.932 176.600 -0.005 0.000 1.047 787 K CA 1.256 57.540 56.287 -0.005 0.000 0.932 787 K CB -0.295 32.203 32.500 -0.005 0.000 0.716 787 K HN 0.037 nan 8.250 nan 0.000 0.439 788 R N 0.691 121.189 120.500 -0.003 0.000 2.133 788 R HA -0.136 4.204 4.340 0.001 0.000 0.247 788 R C 2.074 178.373 176.300 -0.002 0.000 1.151 788 R CA 1.755 57.854 56.100 -0.002 0.000 0.971 788 R CB -0.947 29.352 30.300 -0.001 0.000 0.866 788 R HN 0.340 nan 8.270 nan 0.000 0.447 789 A N -0.342 122.478 122.820 -0.001 0.000 1.929 789 A HA -0.100 4.220 4.320 0.001 0.000 0.216 789 A C 2.131 179.713 177.584 -0.003 0.000 1.176 789 A CA 1.450 53.487 52.037 0.001 0.000 0.628 789 A CB -0.327 18.676 19.000 0.005 0.000 0.816 789 A HN 0.172 nan 8.150 nan 0.000 0.444 790 R N -0.043 120.453 120.500 -0.007 0.000 2.115 790 R HA -0.106 4.235 4.340 0.001 0.000 0.230 790 R C 2.209 178.500 176.300 -0.015 0.000 1.111 790 R CA 1.930 58.022 56.100 -0.015 0.000 0.976 790 R CB -0.510 29.780 30.300 -0.018 0.000 0.870 790 R HN 0.717 nan 8.270 nan 0.000 0.445 791 Q N -0.200 119.594 119.800 -0.010 0.000 2.020 791 Q HA -0.158 4.183 4.340 0.001 0.000 0.198 791 Q C 1.588 177.585 176.000 -0.006 0.000 0.974 791 Q CA 1.535 57.333 55.803 -0.009 0.000 0.829 791 Q CB -0.095 28.640 28.738 -0.006 0.000 0.894 791 Q HN -0.006 nan 8.270 nan 0.000 0.433 792 K N 0.457 120.856 120.400 -0.002 0.000 2.160 792 K HA -0.177 4.143 4.320 0.001 0.000 0.206 792 K C 1.835 178.438 176.600 0.005 0.000 1.047 792 K CA 1.026 57.314 56.287 0.002 0.000 0.930 792 K CB -0.557 31.944 32.500 0.002 0.000 0.720 792 K HN 0.271 nan 8.250 nan 0.000 0.450 793 L N 0.569 121.792 121.223 0.001 0.000 2.023 793 L HA -0.015 4.326 4.340 0.001 0.000 0.205 793 L C 2.303 179.171 176.870 -0.003 0.000 1.073 793 L CA 1.719 56.561 54.840 0.003 0.000 0.745 793 L CB -0.568 41.486 42.059 -0.009 0.000 0.900 793 L HN 0.147 nan 8.230 nan 0.000 0.435 794 R N -0.575 119.915 120.500 -0.016 0.000 2.139 794 R HA -0.242 4.098 4.340 0.001 0.000 0.243 794 R C 2.287 178.585 176.300 -0.003 0.000 1.145 794 R CA 1.914 58.002 56.100 -0.021 0.000 0.976 794 R CB -0.212 30.074 30.300 -0.024 0.000 0.866 794 R HN 0.601 nan 8.270 nan 0.000 0.449 795 E N -0.085 120.118 120.200 0.005 0.000 2.072 795 E HA -0.143 4.207 4.350 0.001 0.000 0.190 795 E C 1.906 178.523 176.600 0.029 0.000 0.982 795 E CA 0.887 57.295 56.400 0.013 0.000 0.803 795 E CB 0.071 29.776 29.700 0.009 0.000 0.755 795 E HN 0.363 nan 8.360 nan 0.000 0.453 796 L N 0.477 121.722 121.223 0.037 0.000 2.095 796 L HA -0.094 4.247 4.340 0.001 0.000 0.204 796 L C 2.326 179.262 176.870 0.110 0.000 1.080 796 L CA 0.982 55.859 54.840 0.061 0.000 0.759 796 L CB -0.182 41.910 42.059 0.056 0.000 0.914 796 L HN 0.116 nan 8.230 nan 0.000 0.439 797 E N -0.602 119.660 120.200 0.103 0.000 2.028 797 E HA -0.197 4.153 4.350 0.001 0.000 0.190 797 E C 2.172 178.828 176.600 0.094 0.000 0.984 797 E CA 1.095 57.573 56.400 0.130 0.000 0.800 797 E CB -0.124 29.559 29.700 -0.028 0.000 0.758 797 E HN 0.217 nan 8.360 nan 0.000 0.448 798 S N 0.701 116.423 115.700 0.036 0.000 2.565 798 S HA -0.278 4.192 4.470 0.001 0.000 0.310 798 S C 1.767 176.399 174.600 0.055 0.000 1.244 798 S CA 1.721 59.940 58.200 0.031 0.000 1.170 798 S CB -0.331 62.883 63.200 0.023 0.000 1.179 798 S HN 0.226 nan 8.310 nan 0.000 0.441 799 I N -0.047 120.569 120.570 0.076 0.000 3.428 799 I HA 0.087 4.257 4.170 0.001 0.000 0.286 799 I C 1.109 177.282 176.117 0.094 0.000 1.287 799 I CA 0.029 61.373 61.300 0.073 0.000 1.396 799 I CB 0.109 38.151 38.000 0.070 0.000 1.062 799 I HN 0.141 nan 8.210 nan 0.000 0.471 800 S N 0.000 115.789 115.700 0.148 0.000 2.498 800 S HA 0.000 4.470 4.470 0.001 0.000 0.327 800 S CA 0.000 58.322 58.200 0.203 0.000 1.107 800 S CB 0.000 63.427 63.200 0.378 0.000 0.593 800 S HN 0.000 nan 8.310 nan 0.000 0.517