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 1ot2_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GTcTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG VTAIWISQPV ENIYSIINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTIADFQN LIAAAHAKNI KVIINFAPNH TSPASSDQPS DATA SEQUENCE FAENGRLYDN GTLLGGYTND TQNLFHHNGG TDFSTTENGI YKNLYDLADL DATA SEQUENCE NHNNSTVDVY LKDAIKMWLD LGIDGIRMDA VKHMPFGWQK SFMAAVNNYK DATA SEQUENCE PVFTFGEWFL GVNEVSPENH KFANESGMSL LDFRFAQKVR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS AADYAQVDDQ VTFIDNHDME RFHASNANRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYMSGGT DPDNRARIPS FSTSTTAYQV IQKLAPLRKS DATA SEQUENCE NPAIAYGSTQ ERWINNDVLI YERKFGSNVA VVAVNRNLNA PASISGLVTS DATA SEQUENCE LPQGSYNDVL GGLLNGNTLS VGSGGAASNF TLAAGGTAVW QYTAATATPT DATA SEQUENCE IGHVGPMMAK PGVTITIDGR GFGSSKGTVY FGTTAVSGAD ITSWEDTQIK DATA SEQUENCE VKIPAVAGGN YNIKVANAAG TASNVYDNFE VLSGDQVSVR FVVNNATTAL DATA SEQUENCE GQNVYLTGSV SELGNWDPAK AIGPMYNQVV YQYPNWYYDV SVPAGKTIEF DATA SEQUENCE KFLKKQGSTV TWEGGSNHTF TAPSSGTATI NVNWQP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.569 177.584 -0.024 0.000 1.274 1 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 1 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 2 P HA 0.214 nan 4.420 nan 0.000 0.274 2 P C -0.025 177.248 177.300 -0.045 0.000 1.246 2 P CA 0.154 63.234 63.100 -0.033 0.000 0.795 2 P CB 0.701 32.377 31.700 -0.039 0.000 1.006 3 D N 0.214 120.596 120.400 -0.031 0.000 2.221 3 D HA -0.155 4.485 4.640 -0.000 0.000 0.204 3 D C 1.131 177.385 176.300 -0.076 0.000 0.982 3 D CA 1.892 55.875 54.000 -0.028 0.000 0.857 3 D CB -1.320 39.501 40.800 0.035 0.000 0.934 3 D HN 0.447 nan 8.370 nan 0.000 0.475 4 T N -2.725 111.774 114.554 -0.092 0.000 3.129 4 T HA 0.049 4.399 4.350 -0.000 0.000 0.251 4 T C 1.067 175.677 174.700 -0.150 0.000 1.117 4 T CA -0.054 61.964 62.100 -0.138 0.000 1.034 4 T CB -0.185 68.605 68.868 -0.130 0.000 0.968 4 T HN 0.135 nan 8.240 nan 0.000 0.526 5 S N 0.504 116.127 115.700 -0.128 0.000 2.563 5 S HA 0.125 4.595 4.470 -0.000 0.000 0.284 5 S C 1.468 175.961 174.600 -0.178 0.000 1.331 5 S CA -0.279 57.842 58.200 -0.133 0.000 1.047 5 S CB 1.087 64.223 63.200 -0.107 0.000 0.859 5 S HN 0.235 nan 8.310 nan 0.000 0.514 6 V N 4.360 124.166 119.914 -0.179 0.000 2.759 6 V HA -0.069 4.050 4.120 -0.000 0.000 0.256 6 V C 2.267 178.202 176.094 -0.265 0.000 1.080 6 V CA 2.486 64.652 62.300 -0.224 0.000 1.101 6 V CB -0.840 30.870 31.823 -0.187 0.000 0.698 6 V HN 1.043 nan 8.190 nan 0.000 0.477 7 S N 0.084 115.654 115.700 -0.217 0.000 2.515 7 S HA -0.034 4.436 4.470 -0.000 0.000 0.231 7 S C 1.154 175.666 174.600 -0.146 0.000 0.987 7 S CA 0.547 58.629 58.200 -0.197 0.000 0.936 7 S CB -0.723 62.393 63.200 -0.141 0.000 0.766 7 S HN 0.625 nan 8.310 nan 0.000 0.528 8 N N 2.390 120.995 118.700 -0.158 0.000 2.466 8 N HA 0.175 4.915 4.740 -0.000 0.000 0.263 8 N C 0.381 175.825 175.510 -0.111 0.000 1.178 8 N CA 0.025 53.003 53.050 -0.121 0.000 0.983 8 N CB 0.338 38.740 38.487 -0.141 0.000 1.331 8 N HN 0.444 nan 8.380 nan 0.000 0.500 9 K N 1.649 122.053 120.400 0.007 0.000 2.432 9 K HA -0.031 4.289 4.320 -0.000 0.000 0.196 9 K C 0.685 177.479 176.600 0.324 0.000 1.038 9 K CA 0.723 57.111 56.287 0.170 0.000 0.986 9 K CB 0.423 33.023 32.500 0.168 0.000 0.782 9 K HN 0.416 nan 8.250 nan 0.000 0.485 10 Q N 0.199 120.131 119.800 0.220 0.000 2.392 10 Q HA 0.069 4.409 4.340 -0.000 0.000 0.203 10 Q C -0.354 175.847 176.000 0.335 0.000 0.917 10 Q CA 0.256 56.246 55.803 0.311 0.000 0.939 10 Q CB 0.433 29.309 28.738 0.230 0.000 1.063 10 Q HN 0.063 nan 8.270 nan 0.000 0.516 11 N N -0.652 118.108 118.700 0.100 0.000 2.500 11 N HA 0.175 4.915 4.740 -0.000 0.000 0.291 11 N C -1.390 173.927 175.510 -0.322 0.000 1.092 11 N CA -0.310 52.592 53.050 -0.247 0.000 0.890 11 N CB 0.462 38.739 38.487 -0.351 0.000 1.466 11 N HN -0.132 nan 8.380 nan 0.000 0.507 12 F N 1.154 120.668 119.950 -0.727 0.000 2.661 12 F HA 0.306 4.833 4.527 -0.000 0.000 0.306 12 F C 1.858 177.356 175.800 -0.504 0.000 1.094 12 F CA -0.111 57.511 58.000 -0.629 0.000 1.254 12 F CB 0.421 38.894 39.000 -0.878 0.000 1.040 12 F HN 0.429 nan 8.300 nan 0.000 0.562 13 S N -0.595 114.901 115.700 -0.341 0.000 2.447 13 S HA -0.150 4.320 4.470 -0.000 0.000 0.233 13 S C 2.134 176.525 174.600 -0.348 0.000 1.006 13 S CA 1.761 59.788 58.200 -0.289 0.000 0.957 13 S CB -0.479 62.600 63.200 -0.201 0.000 0.773 13 S HN 0.527 nan 8.310 nan 0.000 0.507 14 T N -0.738 113.596 114.554 -0.367 0.000 3.107 14 T HA 0.164 4.514 4.350 -0.000 0.000 0.249 14 T C 0.085 174.617 174.700 -0.280 0.000 1.096 14 T CA -0.262 61.620 62.100 -0.364 0.000 1.012 14 T CB 0.037 68.696 68.868 -0.348 0.000 0.977 14 T HN 0.061 nan 8.240 nan 0.000 0.527 15 D N 0.711 120.958 120.400 -0.256 0.000 2.384 15 D HA 0.545 5.185 4.640 -0.000 0.000 0.250 15 D C -0.918 175.300 176.300 -0.137 0.000 1.029 15 D CA -0.498 53.383 54.000 -0.199 0.000 0.990 15 D CB 2.554 43.226 40.800 -0.213 0.000 1.175 15 D HN 0.009 nan 8.370 nan 0.000 0.532 16 V N 1.850 121.703 119.914 -0.103 0.000 2.443 16 V HA 0.319 4.439 4.120 -0.000 0.000 0.293 16 V C 0.133 176.210 176.094 -0.029 0.000 1.021 16 V CA -0.637 61.613 62.300 -0.083 0.000 0.848 16 V CB 1.507 33.265 31.823 -0.109 0.000 0.998 16 V HN 0.354 nan 8.190 nan 0.000 0.424 17 I N 4.425 124.991 120.570 -0.007 0.000 2.532 17 I HA 0.346 4.516 4.170 -0.000 0.000 0.292 17 I C -0.839 175.248 176.117 -0.049 0.000 1.014 17 I CA -0.558 60.753 61.300 0.018 0.000 1.340 17 I CB 0.995 39.020 38.000 0.042 0.000 1.422 17 I HN 0.574 nan 8.210 nan 0.000 0.528 18 Y N 4.861 125.040 120.300 -0.203 0.000 2.328 18 Y HA 0.282 4.832 4.550 -0.000 0.000 0.333 18 Y C -0.382 175.268 175.900 -0.417 0.000 0.958 18 Y CA -0.740 57.210 58.100 -0.249 0.000 1.167 18 Y CB 0.989 39.345 38.460 -0.173 0.000 1.151 18 Y HN 0.473 nan 8.280 nan 0.000 0.470 19 Q N 7.126 126.413 119.800 -0.855 0.000 2.348 19 Q HA 0.308 4.648 4.340 -0.000 0.000 0.251 19 Q C -0.756 174.934 176.000 -0.516 0.000 1.113 19 Q CA 0.226 55.408 55.803 -1.035 0.000 0.902 19 Q CB 0.725 29.035 28.738 -0.713 0.000 1.333 19 Q HN 0.612 nan 8.270 nan 0.000 0.457 20 I N 3.070 123.443 120.570 -0.328 0.000 2.307 20 I HA 0.141 4.311 4.170 -0.000 0.000 0.289 20 I C -0.401 175.651 176.117 -0.108 0.000 1.021 20 I CA -0.669 60.470 61.300 -0.268 0.000 1.224 20 I CB 0.425 38.247 38.000 -0.296 0.000 1.376 20 I HN 0.504 nan 8.210 nan 0.000 0.470 21 F N 6.687 126.412 119.950 -0.376 0.000 2.462 21 F HA 0.139 4.666 4.527 -0.000 0.000 0.354 21 F C 1.657 177.302 175.800 -0.257 0.000 1.192 21 F CA -0.043 57.819 58.000 -0.231 0.000 1.173 21 F CB 0.254 39.131 39.000 -0.205 0.000 1.402 21 F HN 0.545 nan 8.300 nan 0.000 0.595 22 T N 2.010 116.475 114.554 -0.149 0.000 2.602 22 T HA -0.377 3.973 4.350 -0.000 0.000 0.264 22 T C 1.601 176.343 174.700 0.070 0.000 1.085 22 T CA 2.335 64.364 62.100 -0.118 0.000 1.164 22 T CB -0.353 68.182 68.868 -0.556 0.000 0.860 22 T HN 0.647 nan 8.240 nan 0.000 0.442 23 D N 0.232 120.744 120.400 0.186 0.000 2.263 23 D HA -0.086 4.554 4.640 -0.000 0.000 0.208 23 D C 1.907 178.372 176.300 0.275 0.000 0.971 23 D CA 0.706 54.908 54.000 0.336 0.000 0.867 23 D CB 0.130 41.211 40.800 0.468 0.000 0.929 23 D HN 0.131 nan 8.370 nan 0.000 0.492 24 R N -0.761 119.881 120.500 0.237 0.000 2.432 24 R HA 0.118 4.458 4.340 -0.000 0.000 0.260 24 R C 0.807 177.174 176.300 0.113 0.000 0.935 24 R CA -0.170 55.997 56.100 0.112 0.000 1.080 24 R CB -0.319 29.993 30.300 0.021 0.000 1.155 24 R HN 0.265 nan 8.270 nan 0.000 0.531 25 F N 0.500 120.435 119.950 -0.025 0.000 2.287 25 F HA 0.291 4.818 4.527 -0.000 0.000 0.276 25 F C 0.278 176.216 175.800 0.229 0.000 1.047 25 F CA 0.206 58.258 58.000 0.086 0.000 1.194 25 F CB 0.321 39.370 39.000 0.081 0.000 1.118 25 F HN -0.193 nan 8.300 nan 0.000 0.556 26 S N 0.131 115.902 115.700 0.119 0.000 2.652 26 S HA 0.203 4.673 4.470 -0.000 0.000 0.273 26 S C -1.799 172.863 174.600 0.103 0.000 1.172 26 S CA -0.811 57.401 58.200 0.021 0.000 1.009 26 S CB 0.568 63.654 63.200 -0.190 0.000 1.094 26 S HN 0.261 nan 8.310 nan 0.000 0.471 27 D N 3.756 124.219 120.400 0.105 0.000 2.435 27 D HA 0.355 4.995 4.640 -0.000 0.000 0.230 27 D C 1.229 177.579 176.300 0.083 0.000 1.215 27 D CA 0.104 54.174 54.000 0.118 0.000 0.947 27 D CB 0.428 41.313 40.800 0.142 0.000 1.048 27 D HN 0.685 nan 8.370 nan 0.000 0.512 28 G N 3.287 112.136 108.800 0.083 0.000 2.777 28 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.211 28 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.211 28 G C 0.689 175.623 174.900 0.056 0.000 1.149 28 G CA -0.383 44.754 45.100 0.062 0.000 0.785 28 G HN 0.568 nan 8.290 nan 0.000 0.536 29 N N -0.130 118.604 118.700 0.058 0.000 2.690 29 N HA 0.272 5.012 4.740 -0.000 0.000 0.255 29 N C -2.257 173.261 175.510 0.013 0.000 1.195 29 N CA -1.488 51.584 53.050 0.036 0.000 0.790 29 N CB 1.999 40.511 38.487 0.042 0.000 1.216 29 N HN -0.226 nan 8.380 nan 0.000 0.528 30 P HA -0.089 nan 4.420 nan 0.000 0.221 30 P C 0.998 178.252 177.300 -0.078 0.000 1.145 30 P CA 0.780 63.867 63.100 -0.021 0.000 0.795 30 P CB 0.272 31.972 31.700 0.001 0.000 0.775 31 A N 0.711 123.498 122.820 -0.055 0.000 2.015 31 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 31 A C 1.642 179.166 177.584 -0.100 0.000 1.163 31 A CA 1.728 53.722 52.037 -0.071 0.000 0.646 31 A CB -1.283 17.693 19.000 -0.040 0.000 0.806 31 A HN 0.335 nan 8.150 nan 0.000 0.448 32 N N -0.440 118.202 118.700 -0.096 0.000 2.235 32 N HA 0.040 4.780 4.740 -0.000 0.000 0.209 32 N C -0.641 174.753 175.510 -0.192 0.000 1.122 32 N CA -0.421 52.556 53.050 -0.122 0.000 0.845 32 N CB -0.471 37.967 38.487 -0.083 0.000 1.004 32 N HN 0.123 nan 8.380 nan 0.000 0.499 33 N N 2.203 120.750 118.700 -0.256 0.000 2.483 33 N HA 0.196 4.936 4.740 -0.000 0.000 0.264 33 N C -2.279 172.920 175.510 -0.518 0.000 1.197 33 N CA -0.999 51.786 53.050 -0.442 0.000 0.927 33 N CB 0.385 38.413 38.487 -0.764 0.000 1.065 33 N HN 0.221 nan 8.380 nan 0.000 0.461 34 P HA 0.085 nan 4.420 nan 0.000 0.270 34 P C 0.005 177.102 177.300 -0.338 0.000 1.223 34 P CA -0.078 62.803 63.100 -0.364 0.000 0.785 34 P CB 0.549 32.009 31.700 -0.399 0.000 0.923 35 T N -2.206 112.249 114.554 -0.165 0.000 2.905 35 T HA 0.691 5.041 4.350 -0.000 0.000 0.283 35 T C 0.606 175.336 174.700 0.049 0.000 1.031 35 T CA -0.066 61.983 62.100 -0.084 0.000 1.002 35 T CB 1.150 69.957 68.868 -0.102 0.000 1.200 35 T HN 0.711 nan 8.240 nan 0.000 0.560 36 G N 0.849 109.696 108.800 0.078 0.000 2.574 36 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.286 36 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.286 36 G C 1.152 176.126 174.900 0.124 0.000 1.212 36 G CA 0.696 45.847 45.100 0.085 0.000 0.979 36 G HN 1.818 nan 8.290 nan 0.000 0.557 37 A N -0.314 122.563 122.820 0.095 0.000 2.172 37 A HA 0.462 4.782 4.320 -0.000 0.000 0.216 37 A C 2.590 180.253 177.584 0.132 0.000 1.154 37 A CA 2.399 54.494 52.037 0.097 0.000 0.701 37 A CB -0.580 18.463 19.000 0.073 0.000 0.789 37 A HN 2.226 nan 8.150 nan 0.000 0.465 38 A N -2.001 120.923 122.820 0.172 0.000 2.251 38 A HA 0.506 4.826 4.320 -0.000 0.000 0.209 38 A C 0.204 177.998 177.584 0.351 0.000 1.187 38 A CA 0.041 52.224 52.037 0.243 0.000 0.823 38 A CB -0.228 18.908 19.000 0.226 0.000 0.846 38 A HN 0.481 nan 8.150 nan 0.000 0.486 39 F N -0.554 119.454 119.950 0.097 0.000 2.565 39 F HA 0.593 5.120 4.527 -0.000 0.000 0.313 39 F C -1.724 174.110 175.800 0.057 0.000 1.091 39 F CA -1.495 56.560 58.000 0.092 0.000 0.915 39 F CB 1.990 41.021 39.000 0.052 0.000 1.208 39 F HN -0.028 nan 8.300 nan 0.000 0.453 40 D N 3.003 122.877 120.400 -0.876 0.000 2.328 40 D HA 0.261 4.901 4.640 -0.000 0.000 0.243 40 D C 0.834 176.558 176.300 -0.960 0.000 1.324 40 D CA -0.018 53.578 54.000 -0.674 0.000 0.966 40 D CB 1.133 41.744 40.800 -0.315 0.000 1.324 40 D HN 0.721 nan 8.370 nan 0.000 0.549 41 G N 1.781 109.988 108.800 -0.989 0.000 2.501 41 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 41 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 41 G C 1.287 176.064 174.900 -0.204 0.000 1.114 41 G CA 1.516 46.331 45.100 -0.476 0.000 0.757 41 G HN 0.546 nan 8.290 nan 0.000 0.559 42 T N -4.162 110.277 114.554 -0.192 0.000 3.081 42 T HA 0.059 4.409 4.350 -0.000 0.000 0.255 42 T C 1.274 175.905 174.700 -0.115 0.000 1.113 42 T CA 0.548 62.583 62.100 -0.108 0.000 1.082 42 T CB -0.443 68.377 68.868 -0.080 0.000 0.939 42 T HN 0.559 nan 8.240 nan 0.000 0.506 43 c N 1.852 120.348 118.600 -0.172 0.000 4.350 43 c HA -0.198 4.372 4.570 -0.000 0.000 0.302 43 c C 1.592 175.615 174.090 -0.112 0.000 1.390 43 c CA 0.926 57.166 56.329 -0.148 0.000 2.016 43 c CB -2.663 39.788 42.510 -0.097 0.000 1.271 43 c HN 0.796 nan 8.230 nan 0.000 0.760 44 T N -0.561 113.927 114.554 -0.110 0.000 2.983 44 T HA -0.017 4.332 4.350 -0.000 0.000 0.250 44 T C 0.842 175.493 174.700 -0.081 0.000 1.037 44 T CA 1.035 63.089 62.100 -0.077 0.000 1.142 44 T CB -0.176 68.655 68.868 -0.062 0.000 0.876 44 T HN 0.685 nan 8.240 nan 0.000 0.455 45 N N 2.279 120.919 118.700 -0.101 0.000 2.482 45 N HA 0.149 4.889 4.740 -0.000 0.000 0.242 45 N C 0.595 176.011 175.510 -0.156 0.000 1.100 45 N CA -0.122 52.871 53.050 -0.096 0.000 0.946 45 N CB 0.232 38.672 38.487 -0.078 0.000 1.227 45 N HN 0.310 nan 8.380 nan 0.000 0.508 46 L N 2.542 123.674 121.223 -0.153 0.000 2.633 46 L HA -0.010 4.330 4.340 -0.000 0.000 0.235 46 L C 1.619 178.230 176.870 -0.433 0.000 1.163 46 L CA 0.604 55.298 54.840 -0.243 0.000 0.859 46 L CB -0.054 41.922 42.059 -0.139 0.000 0.973 46 L HN 0.337 nan 8.230 nan 0.000 0.451 47 R N -0.799 119.518 120.500 -0.304 0.000 2.362 47 R HA 0.300 4.640 4.340 -0.000 0.000 0.227 47 R C 0.183 176.315 176.300 -0.279 0.000 0.905 47 R CA -0.051 55.892 56.100 -0.263 0.000 1.067 47 R CB 0.465 30.786 30.300 0.035 0.000 1.078 47 R HN 0.243 nan 8.270 nan 0.000 0.516 48 L N -0.582 120.456 121.223 -0.308 0.000 2.335 48 L HA 0.401 4.741 4.340 -0.000 0.000 0.268 48 L C -0.262 176.510 176.870 -0.163 0.000 1.016 48 L CA -1.317 53.454 54.840 -0.116 0.000 0.805 48 L CB 0.501 42.543 42.059 -0.030 0.000 1.311 48 L HN -0.103 nan 8.230 nan 0.000 0.456 49 Y N -0.894 119.434 120.300 0.047 0.000 2.425 49 Y HA 0.002 4.552 4.550 -0.000 0.000 0.331 49 Y C 0.858 176.791 175.900 0.056 0.000 1.157 49 Y CA -0.001 58.199 58.100 0.167 0.000 1.372 49 Y CB 0.868 39.518 38.460 0.317 0.000 1.253 49 Y HN 0.517 nan 8.280 nan 0.000 0.536 50 c N 0.867 119.598 118.600 0.218 0.000 3.019 50 c HA 0.332 4.902 4.570 -0.000 0.000 0.295 50 c C 1.724 176.008 174.090 0.323 0.000 1.256 50 c CA 0.501 56.855 56.329 0.042 0.000 1.706 50 c CB -0.408 42.103 42.510 0.002 0.000 2.153 50 c HN 1.218 nan 8.230 nan 0.000 0.618 51 G N 0.266 109.371 108.800 0.508 0.000 2.231 51 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.206 51 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.206 51 G C 0.424 175.497 174.900 0.287 0.000 0.996 51 G CA -0.095 45.271 45.100 0.443 0.000 0.645 51 G HN 0.782 nan 8.290 nan 0.000 0.498 52 G N 0.999 109.963 108.800 0.272 0.000 2.265 52 G HA2 0.488 4.448 3.960 -0.000 0.000 0.240 52 G HA3 0.488 4.448 3.960 -0.000 0.000 0.240 52 G C 0.080 175.100 174.900 0.201 0.000 1.270 52 G CA 1.248 46.483 45.100 0.224 0.000 0.901 52 G HN 1.086 nan 8.290 nan 0.000 0.507 53 D N -0.014 120.480 120.400 0.157 0.000 2.744 53 D HA 0.271 4.911 4.640 -0.000 0.000 0.304 53 D C 0.494 176.903 176.300 0.180 0.000 1.179 53 D CA -0.923 53.122 54.000 0.076 0.000 1.024 53 D CB 0.232 41.072 40.800 0.068 0.000 1.453 53 D HN 0.302 nan 8.370 nan 0.000 0.529 54 W N -0.598 120.794 121.300 0.154 0.000 2.436 54 W HA 0.018 4.678 4.660 -0.000 0.000 0.284 54 W C 2.020 178.598 176.519 0.099 0.000 1.225 54 W CA 0.697 58.115 57.345 0.121 0.000 1.271 54 W CB -0.921 28.629 29.460 0.151 0.000 1.114 54 W HN 0.519 nan 8.180 nan 0.000 0.559 55 Q N 0.561 120.540 119.800 0.298 0.000 2.124 55 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 55 Q C 2.373 178.462 176.000 0.148 0.000 0.977 55 Q CA 2.415 58.330 55.803 0.186 0.000 0.850 55 Q CB -1.019 27.799 28.738 0.134 0.000 0.901 55 Q HN 0.162 nan 8.270 nan 0.000 0.429 56 G N 0.449 109.346 108.800 0.160 0.000 2.418 56 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 56 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 56 G C 1.447 176.446 174.900 0.164 0.000 1.158 56 G CA 0.969 46.141 45.100 0.120 0.000 0.771 56 G HN 0.434 nan 8.290 nan 0.000 0.545 57 I N 0.503 121.249 120.570 0.294 0.000 2.226 57 I HA -0.126 4.044 4.170 -0.000 0.000 0.245 57 I C 2.644 178.873 176.117 0.187 0.000 1.100 57 I CA 0.713 62.221 61.300 0.346 0.000 1.374 57 I CB -0.224 37.952 38.000 0.295 0.000 1.057 57 I HN 0.145 nan 8.210 nan 0.000 0.413 58 I N 1.060 121.709 120.570 0.132 0.000 2.208 58 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 58 I C 2.214 178.355 176.117 0.040 0.000 1.097 58 I CA 1.378 62.717 61.300 0.065 0.000 1.363 58 I CB -0.545 37.492 38.000 0.062 0.000 1.051 58 I HN 0.333 nan 8.210 nan 0.000 0.413 59 N N 0.930 119.649 118.700 0.031 0.000 2.120 59 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 59 N C 1.695 177.169 175.510 -0.059 0.000 1.024 59 N CA 1.113 54.150 53.050 -0.021 0.000 0.852 59 N CB -0.278 38.181 38.487 -0.046 0.000 1.003 59 N HN 0.235 nan 8.380 nan 0.000 0.424 60 K N 0.850 121.213 120.400 -0.062 0.000 2.365 60 K HA 0.118 4.438 4.320 -0.000 0.000 0.199 60 K C 1.984 178.605 176.600 0.035 0.000 1.045 60 K CA 0.206 56.439 56.287 -0.090 0.000 0.962 60 K CB -0.137 32.320 32.500 -0.072 0.000 0.759 60 K HN 0.326 nan 8.250 nan 0.000 0.469 61 I N 1.138 121.735 120.570 0.046 0.000 2.333 61 I HA -0.190 3.980 4.170 -0.000 0.000 0.246 61 I C 1.440 177.559 176.117 0.004 0.000 1.106 61 I CA 0.748 62.064 61.300 0.026 0.000 1.411 61 I CB -0.106 37.905 38.000 0.018 0.000 1.082 61 I HN 0.104 nan 8.210 nan 0.000 0.420 62 N N 1.031 119.730 118.700 -0.002 0.000 2.354 62 N HA -0.127 4.613 4.740 -0.000 0.000 0.179 62 N C 1.014 176.516 175.510 -0.012 0.000 1.021 62 N CA 1.198 54.243 53.050 -0.008 0.000 0.887 62 N CB -0.302 38.181 38.487 -0.008 0.000 0.974 62 N HN 0.489 nan 8.380 nan 0.000 0.437 63 D N -1.005 119.382 120.400 -0.022 0.000 2.328 63 D HA 0.153 4.793 4.640 -0.000 0.000 0.221 63 D C 1.139 177.442 176.300 0.004 0.000 1.072 63 D CA 0.319 54.306 54.000 -0.022 0.000 0.850 63 D CB -0.283 40.484 40.800 -0.055 0.000 0.922 63 D HN 0.162 nan 8.370 nan 0.000 0.516 64 G N -0.236 108.572 108.800 0.014 0.000 2.179 64 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.260 64 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.260 64 G C 0.643 175.585 174.900 0.070 0.000 0.977 64 G CA 0.388 45.505 45.100 0.028 0.000 0.641 64 G HN 0.370 nan 8.290 nan 0.000 0.533 65 Y N 0.796 121.078 120.300 -0.031 0.000 2.128 65 Y HA 0.047 4.597 4.550 -0.000 0.000 0.284 65 Y C 2.620 178.552 175.900 0.054 0.000 1.154 65 Y CA 2.443 60.564 58.100 0.036 0.000 1.149 65 Y CB -0.307 38.110 38.460 -0.072 0.000 0.976 65 Y HN 0.320 nan 8.280 nan 0.000 0.505 66 L N -0.961 120.206 121.223 -0.093 0.000 2.068 66 L HA -0.145 4.195 4.340 -0.000 0.000 0.204 66 L C 2.584 179.315 176.870 -0.233 0.000 1.076 66 L CA 1.662 56.338 54.840 -0.273 0.000 0.753 66 L CB -1.201 40.750 42.059 -0.181 0.000 0.910 66 L HN 0.291 nan 8.230 nan 0.000 0.439 67 T N -2.618 111.862 114.554 -0.124 0.000 2.788 67 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 67 T C 1.931 176.567 174.700 -0.106 0.000 1.044 67 T CA 1.078 63.115 62.100 -0.105 0.000 1.139 67 T CB -0.978 67.855 68.868 -0.059 0.000 0.867 67 T HN 0.388 nan 8.240 nan 0.000 0.454 68 G N 0.408 109.169 108.800 -0.064 0.000 2.470 68 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.220 68 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.220 68 G C 1.474 176.319 174.900 -0.091 0.000 1.121 68 G CA 0.487 45.589 45.100 0.004 0.000 0.766 68 G HN 0.503 nan 8.290 nan 0.000 0.553 69 M N -0.143 119.248 119.600 -0.348 0.000 2.541 69 M HA 0.221 4.701 4.480 -0.000 0.000 0.252 69 M C 1.741 177.801 176.300 -0.399 0.000 1.125 69 M CA 0.874 55.758 55.300 -0.692 0.000 1.091 69 M CB 0.463 32.480 32.600 -0.973 0.000 1.420 69 M HN 0.365 nan 8.290 nan 0.000 0.486 70 G N 0.764 109.406 108.800 -0.263 0.000 2.141 70 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.242 70 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.242 70 G C -0.043 174.745 174.900 -0.187 0.000 0.982 70 G CA 0.002 44.984 45.100 -0.197 0.000 0.662 70 G HN 0.308 nan 8.290 nan 0.000 0.527 71 V N 1.640 121.428 119.914 -0.211 0.000 2.572 71 V HA 0.469 4.589 4.120 -0.000 0.000 0.291 71 V C 1.566 177.587 176.094 -0.121 0.000 1.039 71 V CA 1.370 63.572 62.300 -0.163 0.000 1.055 71 V CB 1.297 32.995 31.823 -0.208 0.000 0.969 71 V HN 0.816 nan 8.190 nan 0.000 0.482 72 T N 0.848 115.345 114.554 -0.095 0.000 3.145 72 T HA 0.695 5.045 4.350 -0.000 0.000 0.281 72 T C -0.012 174.654 174.700 -0.056 0.000 1.003 72 T CA 0.358 62.402 62.100 -0.093 0.000 0.901 72 T CB 0.410 69.198 68.868 -0.133 0.000 1.112 72 T HN 1.087 nan 8.240 nan 0.000 0.535 73 A N 1.444 124.269 122.820 0.008 0.000 2.599 73 A HA 0.760 5.080 4.320 -0.000 0.000 0.294 73 A C -1.438 176.229 177.584 0.138 0.000 1.055 73 A CA -1.171 50.935 52.037 0.114 0.000 0.683 73 A CB 0.984 20.122 19.000 0.229 0.000 1.278 73 A HN 0.875 nan 8.150 nan 0.000 0.412 74 I N -2.183 118.499 120.570 0.187 0.000 2.894 74 I HA 0.966 5.136 4.170 -0.000 0.000 0.302 74 I C -1.070 175.217 176.117 0.283 0.000 1.188 74 I CA -0.891 60.505 61.300 0.159 0.000 1.014 74 I CB 2.095 40.151 38.000 0.093 0.000 1.242 74 I HN 1.002 nan 8.210 nan 0.000 0.430 75 W N 6.221 127.585 121.300 0.106 0.000 2.761 75 W HA 0.885 5.545 4.660 -0.000 0.000 0.340 75 W C -1.569 174.955 176.519 0.007 0.000 1.072 75 W CA -1.726 55.669 57.345 0.083 0.000 1.215 75 W CB 0.352 29.894 29.460 0.137 0.000 1.420 75 W HN 0.714 nan 8.180 nan 0.000 0.519 76 I N 0.422 121.203 120.570 0.352 0.000 3.002 76 I HA 0.710 4.880 4.170 -0.000 0.000 0.310 76 I C 0.057 176.178 176.117 0.006 0.000 1.087 76 I CA -1.235 60.164 61.300 0.165 0.000 1.017 76 I CB 1.876 39.947 38.000 0.118 0.000 1.226 76 I HN 0.366 nan 8.210 nan 0.000 0.443 77 S N 1.644 117.235 115.700 -0.183 0.000 2.566 77 S HA -0.033 4.437 4.470 -0.000 0.000 0.280 77 S C 0.019 174.485 174.600 -0.223 0.000 1.343 77 S CA -0.238 57.731 58.200 -0.384 0.000 1.036 77 S CB 0.285 63.140 63.200 -0.574 0.000 0.866 77 S HN 0.709 nan 8.310 nan 0.000 0.526 78 Q N 3.198 122.806 119.800 -0.320 0.000 2.320 78 Q HA -0.038 4.302 4.340 -0.000 0.000 0.311 78 Q C -1.429 174.572 176.000 0.002 0.000 1.083 78 Q CA -0.897 54.780 55.803 -0.210 0.000 1.001 78 Q CB 0.577 29.141 28.738 -0.290 0.000 1.074 78 Q HN 0.349 nan 8.270 nan 0.000 0.379 79 P HA -0.057 nan 4.420 nan 0.000 0.236 79 P C 0.416 177.839 177.300 0.204 0.000 1.177 79 P CA 0.391 63.654 63.100 0.271 0.000 0.773 79 P CB -0.091 31.545 31.700 -0.106 0.000 0.878 80 V N -1.286 118.617 119.914 -0.018 0.000 2.924 80 V HA 0.195 4.315 4.120 -0.000 0.000 0.305 80 V C 0.472 176.537 176.094 -0.047 0.000 1.073 80 V CA -0.954 61.392 62.300 0.077 0.000 1.098 80 V CB 0.036 31.815 31.823 -0.073 0.000 1.000 80 V HN 0.005 nan 8.190 nan 0.000 0.484 81 E N 3.369 123.557 120.200 -0.019 0.000 2.480 81 E HA 0.055 4.405 4.350 -0.000 0.000 0.258 81 E C -0.044 176.417 176.600 -0.231 0.000 0.984 81 E CA 0.186 56.512 56.400 -0.124 0.000 0.930 81 E CB 0.183 29.855 29.700 -0.047 0.000 0.936 81 E HN 0.900 nan 8.360 nan 0.000 0.466 82 N N 3.192 121.696 118.700 -0.327 0.000 2.483 82 N HA 0.311 5.051 4.740 -0.000 0.000 0.285 82 N C 0.173 175.419 175.510 -0.439 0.000 1.210 82 N CA -0.793 52.091 53.050 -0.277 0.000 0.931 82 N CB 0.963 39.322 38.487 -0.215 0.000 1.220 82 N HN 0.474 nan 8.380 nan 0.000 0.542 83 I N -1.309 119.139 120.570 -0.204 0.000 2.993 83 I HA -0.012 4.158 4.170 -0.000 0.000 0.286 83 I C -0.179 175.741 176.117 -0.329 0.000 1.215 83 I CA 0.060 61.230 61.300 -0.218 0.000 1.393 83 I CB 0.229 38.215 38.000 -0.023 0.000 1.371 83 I HN 0.605 nan 8.210 nan 0.000 0.602 84 Y N 1.662 121.982 120.300 0.033 0.000 2.458 84 Y HA 0.243 4.793 4.550 -0.000 0.000 0.256 84 Y C 1.292 177.221 175.900 0.049 0.000 1.159 84 Y CA -0.300 57.816 58.100 0.025 0.000 1.261 84 Y CB -0.142 38.297 38.460 -0.035 0.000 1.119 84 Y HN 0.530 nan 8.280 nan 0.000 0.524 85 S N 1.312 117.093 115.700 0.135 0.000 2.568 85 S HA 0.177 4.647 4.470 -0.000 0.000 0.282 85 S C 0.040 174.713 174.600 0.121 0.000 1.338 85 S CA -0.047 58.191 58.200 0.063 0.000 1.045 85 S CB 0.360 63.510 63.200 -0.084 0.000 0.873 85 S HN 0.152 nan 8.310 nan 0.000 0.516 86 I N 3.402 124.020 120.570 0.080 0.000 2.337 86 I HA 0.318 4.488 4.170 -0.000 0.000 0.285 86 I C -0.448 175.692 176.117 0.038 0.000 1.041 86 I CA -0.157 61.212 61.300 0.114 0.000 1.199 86 I CB 0.354 38.415 38.000 0.103 0.000 1.370 86 I HN 0.435 nan 8.210 nan 0.000 0.470 87 I N 5.045 125.639 120.570 0.040 0.000 2.365 87 I HA 0.157 4.327 4.170 -0.000 0.000 0.291 87 I C 0.283 176.335 176.117 -0.108 0.000 1.004 87 I CA -0.383 60.835 61.300 -0.137 0.000 1.311 87 I CB 1.062 38.861 38.000 -0.334 0.000 1.401 87 I HN 0.517 nan 8.210 nan 0.000 0.491 88 N N 5.818 124.433 118.700 -0.141 0.000 2.462 88 N HA 0.183 4.922 4.740 -0.000 0.000 0.242 88 N C -1.476 173.964 175.510 -0.117 0.000 1.010 88 N CA -0.227 52.790 53.050 -0.054 0.000 0.939 88 N CB 0.306 38.791 38.487 -0.004 0.000 1.127 88 N HN 0.273 nan 8.380 nan 0.000 0.509 89 Y N 2.684 123.063 120.300 0.131 0.000 2.595 89 Y HA 0.170 4.720 4.550 -0.000 0.000 0.336 89 Y C 0.385 176.332 175.900 0.078 0.000 0.996 89 Y CA -0.753 57.414 58.100 0.111 0.000 1.260 89 Y CB 0.296 38.834 38.460 0.131 0.000 1.108 89 Y HN 0.685 nan 8.280 nan 0.000 0.509 90 S N 1.064 116.875 115.700 0.184 0.000 3.572 90 S HA -0.175 4.295 4.470 -0.000 0.000 0.394 90 S C 1.058 175.717 174.600 0.098 0.000 0.923 90 S CA 0.705 58.976 58.200 0.118 0.000 1.291 90 S CB -1.942 61.327 63.200 0.114 0.000 0.914 90 S HN 1.992 nan 8.310 nan 0.000 0.545 91 G N -1.392 107.456 108.800 0.079 0.000 2.205 91 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.261 91 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.261 91 G C 0.172 175.116 174.900 0.074 0.000 0.980 91 G CA 0.102 45.240 45.100 0.064 0.000 0.632 91 G HN 1.874 nan 8.290 nan 0.000 0.533 92 V N 1.329 121.306 119.914 0.105 0.000 2.540 92 V HA 0.506 4.626 4.120 -0.000 0.000 0.302 92 V C -0.188 175.991 176.094 0.141 0.000 1.035 92 V CA -1.493 60.874 62.300 0.112 0.000 0.873 92 V CB 1.776 33.670 31.823 0.119 0.000 0.992 92 V HN 0.265 nan 8.190 nan 0.000 0.428 93 N N 3.814 122.583 118.700 0.115 0.000 2.520 93 N HA 0.304 5.044 4.740 -0.000 0.000 0.273 93 N C -0.528 175.097 175.510 0.191 0.000 1.155 93 N CA 0.136 53.265 53.050 0.131 0.000 0.967 93 N CB 0.620 39.167 38.487 0.099 0.000 1.092 93 N HN 0.688 nan 8.380 nan 0.000 0.457 94 N N -0.056 118.806 118.700 0.271 0.000 2.238 94 N HA 0.392 5.132 4.740 -0.000 0.000 0.302 94 N C -0.471 175.286 175.510 0.411 0.000 1.072 94 N CA -0.380 52.904 53.050 0.391 0.000 0.792 94 N CB 2.235 41.120 38.487 0.662 0.000 1.425 94 N HN 0.538 nan 8.380 nan 0.000 0.478 95 T N -2.667 112.075 114.554 0.313 0.000 2.858 95 T HA 0.591 4.941 4.350 -0.000 0.000 0.285 95 T C 0.420 174.961 174.700 -0.266 0.000 1.052 95 T CA -0.730 61.511 62.100 0.235 0.000 1.009 95 T CB 1.550 70.567 68.868 0.247 0.000 1.241 95 T HN 0.346 nan 8.240 nan 0.000 0.542 96 A N 0.236 122.860 122.820 -0.327 0.000 2.412 96 A HA 0.287 4.607 4.320 -0.000 0.000 0.253 96 A C 1.321 178.211 177.584 -1.157 0.000 1.334 96 A CA -0.219 51.239 52.037 -0.964 0.000 0.929 96 A CB -1.597 17.258 19.000 -0.241 0.000 0.983 96 A HN 0.938 nan 8.150 nan 0.000 0.508 97 Y N 0.053 119.583 120.300 -1.284 0.000 2.298 97 Y HA -0.322 4.228 4.550 -0.000 0.000 0.287 97 Y C 1.762 177.365 175.900 -0.495 0.000 1.164 97 Y CA 1.747 59.093 58.100 -1.257 0.000 1.229 97 Y CB -1.222 36.711 38.460 -0.878 0.000 0.977 97 Y HN 0.644 nan 8.280 nan 0.000 0.538 98 H N -1.481 116.840 119.070 -1.249 0.000 2.548 98 H HA 0.350 4.906 4.556 -0.000 0.000 0.268 98 H C 2.002 176.889 175.328 -0.735 0.000 0.975 98 H CA -0.104 55.404 56.048 -0.901 0.000 1.195 98 H CB -0.585 28.734 29.762 -0.738 0.000 1.397 98 H HN 0.414 nan 8.280 nan 0.000 0.572 99 G N -0.134 108.361 108.800 -0.509 0.000 2.184 99 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.264 99 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.264 99 G C 0.446 175.171 174.900 -0.292 0.000 0.975 99 G CA 0.567 45.467 45.100 -0.334 0.000 0.642 99 G HN 0.525 nan 8.290 nan 0.000 0.536 100 Y N -1.152 119.175 120.300 0.045 0.000 2.490 100 Y HA 0.328 4.878 4.550 -0.000 0.000 0.281 100 Y C 0.954 177.051 175.900 0.329 0.000 1.174 100 Y CA -0.218 57.931 58.100 0.083 0.000 1.295 100 Y CB 0.282 38.726 38.460 -0.027 0.000 1.062 100 Y HN 0.393 nan 8.280 nan 0.000 0.522 101 W N 1.416 122.836 121.300 0.200 0.000 2.024 101 W HA 0.666 5.326 4.660 -0.000 0.000 0.318 101 W C 0.137 176.621 176.519 -0.058 0.000 0.817 101 W CA -2.089 55.319 57.345 0.105 0.000 1.745 101 W CB -0.737 28.772 29.460 0.081 0.000 1.940 101 W HN -0.170 nan 8.180 nan 0.000 0.346 102 A N 2.202 125.063 122.820 0.068 0.000 2.445 102 A HA 0.468 4.788 4.320 -0.000 0.000 0.242 102 A C 1.316 178.839 177.584 -0.101 0.000 1.075 102 A CA 0.061 51.958 52.037 -0.234 0.000 0.777 102 A CB 0.565 19.082 19.000 -0.805 0.000 1.013 102 A HN 0.663 nan 8.150 nan 0.000 0.493 103 R N -0.086 120.348 120.500 -0.110 0.000 2.576 103 R HA 0.300 4.640 4.340 -0.000 0.000 0.237 103 R C -0.834 175.589 176.300 0.205 0.000 0.917 103 R CA 0.087 56.251 56.100 0.106 0.000 1.002 103 R CB 0.709 31.077 30.300 0.112 0.000 1.428 103 R HN 0.495 nan 8.270 nan 0.000 0.603 104 D N 0.108 120.542 120.400 0.057 0.000 2.470 104 D HA 0.173 4.813 4.640 -0.000 0.000 0.233 104 D C -0.663 175.752 176.300 0.192 0.000 1.372 104 D CA -0.610 53.535 54.000 0.242 0.000 0.994 104 D CB 0.948 41.873 40.800 0.210 0.000 1.377 104 D HN -0.006 nan 8.370 nan 0.000 0.586 105 F N 1.711 121.905 119.950 0.408 0.000 2.771 105 F HA 0.131 4.658 4.527 -0.000 0.000 0.299 105 F C 2.027 178.091 175.800 0.441 0.000 1.177 105 F CA 0.589 58.824 58.000 0.390 0.000 1.450 105 F CB 0.276 39.464 39.000 0.313 0.000 1.114 105 F HN 0.098 nan 8.300 nan 0.000 0.587 106 K N -0.266 120.389 120.400 0.425 0.000 2.373 106 K HA 0.176 4.496 4.320 -0.000 0.000 0.202 106 K C 0.188 176.853 176.600 0.109 0.000 1.025 106 K CA 0.118 56.524 56.287 0.199 0.000 1.115 106 K CB 0.555 33.143 32.500 0.147 0.000 0.858 106 K HN 0.119 nan 8.250 nan 0.000 0.525 107 K N 0.610 121.135 120.400 0.209 0.000 2.433 107 K HA 0.253 4.573 4.320 -0.000 0.000 0.252 107 K C -0.245 176.522 176.600 0.279 0.000 1.015 107 K CA -0.710 55.673 56.287 0.159 0.000 0.860 107 K CB 1.998 34.572 32.500 0.123 0.000 1.359 107 K HN -0.042 nan 8.250 nan 0.000 0.452 108 T N -1.648 113.063 114.554 0.262 0.000 2.927 108 T HA 0.204 4.554 4.350 -0.000 0.000 0.281 108 T C 0.147 174.930 174.700 0.138 0.000 0.998 108 T CA -0.849 61.472 62.100 0.369 0.000 1.019 108 T CB 0.877 70.045 68.868 0.500 0.000 1.061 108 T HN 0.433 nan 8.240 nan 0.000 0.518 109 N N 2.586 121.297 118.700 0.018 0.000 2.401 109 N HA 0.172 4.912 4.740 -0.000 0.000 0.255 109 N C -1.281 174.065 175.510 -0.274 0.000 1.110 109 N CA -2.302 50.590 53.050 -0.262 0.000 0.949 109 N CB 1.135 39.221 38.487 -0.668 0.000 1.110 109 N HN 0.401 nan 8.380 nan 0.000 0.490 110 P HA -0.170 nan 4.420 nan 0.000 0.218 110 P C 0.865 178.047 177.300 -0.196 0.000 1.146 110 P CA 1.046 64.081 63.100 -0.108 0.000 0.813 110 P CB 0.235 31.918 31.700 -0.028 0.000 0.778 111 A N -0.775 121.863 122.820 -0.303 0.000 1.933 111 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 111 A C 2.120 179.597 177.584 -0.177 0.000 1.175 111 A CA 1.292 53.150 52.037 -0.299 0.000 0.628 111 A CB -1.591 17.132 19.000 -0.463 0.000 0.814 111 A HN 0.092 nan 8.150 nan 0.000 0.444 112 Y N -0.792 119.248 120.300 -0.433 0.000 2.286 112 Y HA 0.365 4.915 4.550 -0.000 0.000 0.293 112 Y C 1.589 176.924 175.900 -0.943 0.000 1.124 112 Y CA 0.159 57.732 58.100 -0.878 0.000 1.178 112 Y CB -0.757 36.794 38.460 -1.515 0.000 1.010 112 Y HN 0.459 nan 8.280 nan 0.000 0.536 113 G N -1.141 107.356 108.800 -0.505 0.000 2.359 113 G HA2 0.307 4.267 3.960 -0.000 0.000 0.293 113 G HA3 0.307 4.267 3.960 -0.000 0.000 0.293 113 G C -0.671 174.335 174.900 0.176 0.000 1.300 113 G CA -0.529 44.545 45.100 -0.043 0.000 0.888 113 G HN 0.189 nan 8.290 nan 0.000 0.541 114 T N -1.503 113.238 114.554 0.312 0.000 2.884 114 T HA 0.579 4.929 4.350 -0.000 0.000 0.277 114 T C 1.609 176.567 174.700 0.430 0.000 0.976 114 T CA -0.427 61.848 62.100 0.290 0.000 0.956 114 T CB 0.943 69.918 68.868 0.179 0.000 1.113 114 T HN 0.428 nan 8.240 nan 0.000 0.554 115 I N 0.727 121.467 120.570 0.283 0.000 2.264 115 I HA -0.130 4.040 4.170 -0.000 0.000 0.248 115 I C 2.969 179.238 176.117 0.252 0.000 1.111 115 I CA 1.777 63.220 61.300 0.239 0.000 1.382 115 I CB -1.979 36.076 38.000 0.091 0.000 1.060 115 I HN 0.880 nan 8.210 nan 0.000 0.418 116 A N 0.512 123.451 122.820 0.198 0.000 1.902 116 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 116 A C 1.993 179.691 177.584 0.191 0.000 1.181 116 A CA 1.804 53.935 52.037 0.157 0.000 0.623 116 A CB -0.535 18.535 19.000 0.116 0.000 0.818 116 A HN 0.357 nan 8.150 nan 0.000 0.443 117 D N -1.135 119.435 120.400 0.283 0.000 2.117 117 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 117 D C 1.606 178.082 176.300 0.293 0.000 0.987 117 D CA 1.134 55.334 54.000 0.335 0.000 0.829 117 D CB -0.403 40.702 40.800 0.508 0.000 0.961 117 D HN 0.461 nan 8.370 nan 0.000 0.460 118 F N 1.694 121.737 119.950 0.154 0.000 2.134 118 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 118 F C 2.448 178.175 175.800 -0.121 0.000 1.097 118 F CA 1.413 59.291 58.000 -0.204 0.000 1.264 118 F CB -0.123 38.753 39.000 -0.207 0.000 1.001 118 F HN -0.093 nan 8.300 nan 0.000 0.479 119 Q N -0.156 119.689 119.800 0.074 0.000 2.084 119 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 119 Q C 1.904 177.846 176.000 -0.097 0.000 0.978 119 Q CA 1.550 57.346 55.803 -0.013 0.000 0.844 119 Q CB -0.326 28.449 28.738 0.061 0.000 0.898 119 Q HN 0.410 nan 8.270 nan 0.000 0.426 120 N N 0.653 119.327 118.700 -0.044 0.000 2.188 120 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 120 N C 1.714 177.152 175.510 -0.119 0.000 1.018 120 N CA 0.731 53.754 53.050 -0.045 0.000 0.858 120 N CB -0.220 38.281 38.487 0.022 0.000 0.989 120 N HN 0.155 nan 8.380 nan 0.000 0.426 121 L N 1.234 122.333 121.223 -0.205 0.000 2.027 121 L HA -0.028 4.311 4.340 -0.000 0.000 0.206 121 L C 1.880 178.513 176.870 -0.395 0.000 1.074 121 L CA 1.331 55.996 54.840 -0.292 0.000 0.745 121 L CB -0.589 41.192 42.059 -0.464 0.000 0.898 121 L HN -0.005 nan 8.230 nan 0.000 0.433 122 I N 0.288 120.531 120.570 -0.546 0.000 2.208 122 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 122 I C 2.678 178.463 176.117 -0.555 0.000 1.097 122 I CA 1.551 62.475 61.300 -0.626 0.000 1.363 122 I CB -1.899 35.788 38.000 -0.522 0.000 1.051 122 I HN 0.400 nan 8.210 nan 0.000 0.413 123 A N 0.836 123.483 122.820 -0.289 0.000 1.873 123 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 123 A C 2.597 180.122 177.584 -0.098 0.000 1.186 123 A CA 2.019 53.972 52.037 -0.140 0.000 0.616 123 A CB -0.873 18.085 19.000 -0.070 0.000 0.823 123 A HN 0.408 nan 8.150 nan 0.000 0.442 124 A N -0.098 122.660 122.820 -0.105 0.000 1.883 124 A HA 0.123 4.443 4.320 -0.000 0.000 0.217 124 A C 2.527 180.078 177.584 -0.056 0.000 1.186 124 A CA 2.322 54.323 52.037 -0.061 0.000 0.624 124 A CB -1.105 17.866 19.000 -0.049 0.000 0.822 124 A HN 1.068 nan 8.150 nan 0.000 0.444 125 A N -0.688 122.068 122.820 -0.107 0.000 1.858 125 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 125 A C 1.952 179.561 177.584 0.041 0.000 1.190 125 A CA 1.717 53.717 52.037 -0.062 0.000 0.617 125 A CB -1.161 17.767 19.000 -0.121 0.000 0.827 125 A HN 0.761 nan 8.150 nan 0.000 0.443 126 H N -0.838 118.199 119.070 -0.056 0.000 2.387 126 H HA -0.039 4.517 4.556 -0.000 0.000 0.299 126 H C 2.407 177.707 175.328 -0.047 0.000 1.099 126 H CA 0.595 56.612 56.048 -0.051 0.000 1.315 126 H CB 0.004 29.738 29.762 -0.046 0.000 1.380 126 H HN 0.573 nan 8.280 nan 0.000 0.513 127 A N 0.921 123.791 122.820 0.082 0.000 2.070 127 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 127 A C 1.706 179.295 177.584 0.009 0.000 1.159 127 A CA 1.167 53.222 52.037 0.030 0.000 0.656 127 A CB 0.078 19.085 19.000 0.012 0.000 0.800 127 A HN 0.134 nan 8.150 nan 0.000 0.453 128 K N 0.092 120.497 120.400 0.009 0.000 2.498 128 K HA 0.114 4.434 4.320 -0.000 0.000 0.207 128 K C -0.304 176.284 176.600 -0.020 0.000 1.033 128 K CA -0.283 55.997 56.287 -0.011 0.000 1.138 128 K CB -0.020 32.471 32.500 -0.015 0.000 0.860 128 K HN 0.474 nan 8.250 nan 0.000 0.490 129 N N 0.922 119.613 118.700 -0.015 0.000 2.725 129 N HA -0.212 4.528 4.740 -0.000 0.000 0.249 129 N C -0.603 174.880 175.510 -0.045 0.000 1.103 129 N CA 0.778 53.801 53.050 -0.045 0.000 0.707 129 N CB -1.379 37.066 38.487 -0.069 0.000 1.043 129 N HN 0.348 nan 8.380 nan 0.000 0.553 130 I N 0.760 121.335 120.570 0.008 0.000 2.378 130 I HA 0.196 4.366 4.170 -0.000 0.000 0.291 130 I C 0.592 176.771 176.117 0.103 0.000 0.992 130 I CA -0.595 60.715 61.300 0.017 0.000 1.154 130 I CB 1.457 39.462 38.000 0.008 0.000 1.315 130 I HN -0.206 nan 8.210 nan 0.000 0.448 131 K N 4.641 125.082 120.400 0.069 0.000 2.154 131 K HA 0.587 4.907 4.320 -0.000 0.000 0.264 131 K C -0.922 175.824 176.600 0.244 0.000 1.008 131 K CA -0.605 55.779 56.287 0.162 0.000 0.937 131 K CB 1.777 34.272 32.500 -0.009 0.000 1.002 131 K HN 0.275 nan 8.250 nan 0.000 0.469 132 V N 3.929 124.011 119.914 0.281 0.000 2.444 132 V HA 0.382 4.502 4.120 -0.000 0.000 0.294 132 V C -0.350 175.910 176.094 0.277 0.000 1.022 132 V CA -0.767 61.652 62.300 0.200 0.000 0.850 132 V CB 1.192 33.010 31.823 -0.008 0.000 0.992 132 V HN 0.592 nan 8.190 nan 0.000 0.426 133 I N 5.993 126.740 120.570 0.295 0.000 2.404 133 I HA 0.563 4.733 4.170 -0.000 0.000 0.293 133 I C -0.184 176.036 176.117 0.172 0.000 0.992 133 I CA -0.632 60.824 61.300 0.260 0.000 1.149 133 I CB 1.812 40.019 38.000 0.345 0.000 1.315 133 I HN 0.614 nan 8.210 nan 0.000 0.446 134 I N 2.339 122.951 120.570 0.070 0.000 2.525 134 I HA 0.482 4.652 4.170 -0.000 0.000 0.301 134 I C -0.332 175.709 176.117 -0.127 0.000 0.992 134 I CA -0.570 60.720 61.300 -0.017 0.000 1.162 134 I CB 1.563 39.514 38.000 -0.082 0.000 1.332 134 I HN 0.575 nan 8.210 nan 0.000 0.458 135 N N 3.631 122.224 118.700 -0.179 0.000 2.530 135 N HA 0.322 5.062 4.740 -0.000 0.000 0.273 135 N C -1.776 173.693 175.510 -0.068 0.000 1.173 135 N CA -0.329 52.579 53.050 -0.237 0.000 0.967 135 N CB 0.807 39.095 38.487 -0.331 0.000 1.109 135 N HN 0.572 nan 8.380 nan 0.000 0.453 136 F N 2.260 122.091 119.950 -0.198 0.000 2.585 136 F HA 0.509 5.036 4.527 -0.000 0.000 0.319 136 F C -1.036 174.754 175.800 -0.017 0.000 1.165 136 F CA -0.713 57.230 58.000 -0.094 0.000 0.949 136 F CB 1.532 40.492 39.000 -0.066 0.000 1.218 136 F HN 0.472 nan 8.300 nan 0.000 0.453 137 A N 7.810 130.463 122.820 -0.280 0.000 2.938 137 A HA 0.478 4.798 4.320 -0.000 0.000 0.344 137 A C -2.341 175.077 177.584 -0.278 0.000 1.142 137 A CA -1.133 50.800 52.037 -0.173 0.000 0.841 137 A CB -0.224 18.775 19.000 -0.001 0.000 1.083 137 A HN 0.473 nan 8.150 nan 0.000 0.479 138 P HA -0.041 nan 4.420 nan 0.000 0.249 138 P C 0.618 177.846 177.300 -0.120 0.000 1.241 138 P CA 0.465 63.336 63.100 -0.382 0.000 0.781 138 P CB 0.126 31.660 31.700 -0.277 0.000 1.088 139 N N 0.805 119.431 118.700 -0.123 0.000 2.270 139 N HA -0.106 4.634 4.740 -0.000 0.000 0.181 139 N C 0.814 176.363 175.510 0.065 0.000 1.016 139 N CA 0.717 53.792 53.050 0.041 0.000 0.870 139 N CB -0.014 38.571 38.487 0.164 0.000 0.979 139 N HN 0.292 nan 8.380 nan 0.000 0.431 140 H N -4.717 114.412 119.070 0.098 0.000 2.918 140 H HA 0.279 4.835 4.556 -0.000 0.000 0.303 140 H C -0.048 175.417 175.328 0.228 0.000 1.380 140 H CA -0.106 56.013 56.048 0.118 0.000 1.134 140 H CB 0.735 30.540 29.762 0.071 0.000 1.842 140 H HN 0.042 nan 8.280 nan 0.000 0.533 141 T N -0.848 113.922 114.554 0.360 0.000 3.608 141 T HA 0.329 4.679 4.350 -0.000 0.000 0.213 141 T C 0.667 175.533 174.700 0.276 0.000 0.897 141 T CA 0.857 63.141 62.100 0.307 0.000 1.533 141 T CB -0.516 68.535 68.868 0.306 0.000 1.504 141 T HN 0.842 nan 8.240 nan 0.000 0.446 142 S N 0.604 116.349 115.700 0.074 0.000 2.656 142 S HA 0.657 5.127 4.470 -0.000 0.000 0.273 142 S C -3.365 171.029 174.600 -0.344 0.000 1.168 142 S CA -1.593 56.527 58.200 -0.134 0.000 0.817 142 S CB 1.037 64.157 63.200 -0.133 0.000 1.146 142 S HN 0.218 nan 8.310 nan 0.000 0.475 143 P HA 0.459 nan 4.420 nan 0.000 0.264 143 P C -0.892 176.284 177.300 -0.206 0.000 1.183 143 P CA 0.416 63.297 63.100 -0.365 0.000 0.763 143 P CB 0.391 31.822 31.700 -0.449 0.000 0.807 144 A N 2.168 124.957 122.820 -0.051 0.000 2.610 144 A HA 0.718 5.038 4.320 -0.000 0.000 0.291 144 A C -1.130 176.508 177.584 0.090 0.000 1.086 144 A CA -0.447 51.597 52.037 0.012 0.000 0.677 144 A CB 1.483 20.287 19.000 -0.328 0.000 1.278 144 A HN 0.336 nan 8.150 nan 0.000 0.414 145 S N -0.203 115.625 115.700 0.214 0.000 2.776 145 S HA 0.470 4.940 4.470 -0.000 0.000 0.284 145 S C 0.950 175.680 174.600 0.216 0.000 1.160 145 S CA 0.250 58.538 58.200 0.147 0.000 1.051 145 S CB 0.981 64.169 63.200 -0.020 0.000 1.037 145 S HN 1.777 nan 8.310 nan 0.000 0.485 146 S N 3.211 119.075 115.700 0.274 0.000 2.382 146 S HA -0.100 4.370 4.470 -0.000 0.000 0.228 146 S C 1.007 175.623 174.600 0.027 0.000 1.027 146 S CA 1.162 59.422 58.200 0.101 0.000 0.991 146 S CB -0.382 62.772 63.200 -0.077 0.000 0.823 146 S HN 0.743 nan 8.310 nan 0.000 0.469 147 D N 1.111 121.524 120.400 0.021 0.000 2.277 147 D HA 0.027 4.667 4.640 -0.000 0.000 0.208 147 D C 0.917 177.220 176.300 0.005 0.000 0.962 147 D CA 0.744 54.742 54.000 -0.005 0.000 0.865 147 D CB -0.037 40.753 40.800 -0.018 0.000 0.939 147 D HN 0.571 nan 8.370 nan 0.000 0.510 148 Q N 0.773 120.589 119.800 0.027 0.000 2.798 148 Q HA 0.144 4.484 4.340 -0.000 0.000 0.250 148 Q C -2.085 173.972 176.000 0.094 0.000 1.006 148 Q CA -1.642 54.188 55.803 0.044 0.000 0.759 148 Q CB 1.758 30.508 28.738 0.019 0.000 1.201 148 Q HN -0.069 nan 8.270 nan 0.000 0.486 149 P HA -0.143 nan 4.420 nan 0.000 0.225 149 P C 0.909 178.247 177.300 0.064 0.000 1.148 149 P CA 1.046 64.185 63.100 0.065 0.000 0.779 149 P CB 0.347 32.068 31.700 0.034 0.000 0.780 150 S N -1.441 114.301 115.700 0.070 0.000 2.522 150 S HA -0.050 4.420 4.470 -0.000 0.000 0.227 150 S C 0.614 175.258 174.600 0.072 0.000 0.986 150 S CA -0.446 57.787 58.200 0.055 0.000 0.929 150 S CB -1.252 61.976 63.200 0.047 0.000 0.769 150 S HN 0.011 nan 8.310 nan 0.000 0.529 151 F N 3.873 123.797 119.950 -0.043 0.000 2.506 151 F HA 0.515 5.042 4.527 -0.000 0.000 0.371 151 F C 0.973 176.722 175.800 -0.085 0.000 1.078 151 F CA -0.329 57.628 58.000 -0.071 0.000 1.195 151 F CB -0.189 38.763 39.000 -0.079 0.000 1.099 151 F HN 0.505 nan 8.300 nan 0.000 0.548 152 A N 4.886 127.217 122.820 -0.815 0.000 5.483 152 A HA -0.348 3.972 4.320 -0.000 0.000 0.309 152 A C 1.018 178.415 177.584 -0.312 0.000 1.898 152 A CA 1.458 53.077 52.037 -0.697 0.000 0.716 152 A CB -1.496 16.865 19.000 -1.064 0.000 1.309 152 A HN 0.815 nan 8.150 nan 0.000 0.380 153 E N 0.963 121.015 120.200 -0.248 0.000 2.569 153 E HA 0.234 4.584 4.350 -0.000 0.000 0.205 153 E C 0.472 177.035 176.600 -0.062 0.000 1.006 153 E CA 0.388 56.738 56.400 -0.083 0.000 0.985 153 E CB -0.133 29.564 29.700 -0.004 0.000 1.060 153 E HN 0.649 nan 8.360 nan 0.000 0.460 154 N N 0.492 119.131 118.700 -0.101 0.000 2.681 154 N HA -0.255 4.485 4.740 -0.000 0.000 0.250 154 N C 0.711 176.154 175.510 -0.112 0.000 1.133 154 N CA 0.404 53.426 53.050 -0.047 0.000 0.732 154 N CB -0.738 37.752 38.487 0.005 0.000 1.107 154 N HN 0.545 nan 8.380 nan 0.000 0.559 155 G N 0.106 108.806 108.800 -0.167 0.000 2.203 155 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.263 155 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.263 155 G C 0.185 175.036 174.900 -0.082 0.000 1.012 155 G CA 0.760 45.732 45.100 -0.213 0.000 0.749 155 G HN 0.635 nan 8.290 nan 0.000 0.512 156 R N -0.961 119.543 120.500 0.006 0.000 2.585 156 R HA 0.316 4.656 4.340 -0.000 0.000 0.275 156 R C 0.172 176.542 176.300 0.117 0.000 1.018 156 R CA -0.081 56.044 56.100 0.042 0.000 1.072 156 R CB 0.441 30.737 30.300 -0.006 0.000 0.953 156 R HN 0.297 nan 8.270 nan 0.000 0.419 157 L N 4.107 125.357 121.223 0.046 0.000 2.313 157 L HA 0.379 4.719 4.340 -0.000 0.000 0.283 157 L C -1.526 175.241 176.870 -0.172 0.000 1.013 157 L CA -0.438 54.441 54.840 0.065 0.000 0.816 157 L CB 1.035 43.120 42.059 0.044 0.000 1.236 157 L HN 0.390 nan 8.230 nan 0.000 0.419 158 Y N 2.069 122.402 120.300 0.055 0.000 2.487 158 Y HA 0.477 5.027 4.550 -0.000 0.000 0.337 158 Y C -0.380 175.572 175.900 0.087 0.000 1.076 158 Y CA -0.758 57.373 58.100 0.052 0.000 1.115 158 Y CB 1.600 40.115 38.460 0.091 0.000 1.235 158 Y HN 0.573 nan 8.280 nan 0.000 0.468 159 D N 2.171 122.716 120.400 0.243 0.000 2.462 159 D HA 0.135 4.775 4.640 -0.000 0.000 0.249 159 D C -0.318 176.165 176.300 0.306 0.000 1.117 159 D CA -0.306 53.907 54.000 0.354 0.000 0.900 159 D CB -0.169 40.767 40.800 0.227 0.000 1.039 159 D HN 0.569 nan 8.370 nan 0.000 0.516 160 N N 3.486 122.372 118.700 0.310 0.000 2.725 160 N HA -0.234 4.506 4.740 -0.000 0.000 0.251 160 N C 0.948 176.553 175.510 0.159 0.000 1.031 160 N CA 1.965 55.133 53.050 0.195 0.000 0.720 160 N CB -1.106 37.468 38.487 0.146 0.000 0.930 160 N HN 0.827 nan 8.380 nan 0.000 0.543 161 G N -2.742 106.170 108.800 0.187 0.000 2.254 161 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.225 161 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.225 161 G C 0.213 175.270 174.900 0.261 0.000 1.003 161 G CA 0.287 45.476 45.100 0.148 0.000 0.622 161 G HN 0.726 nan 8.290 nan 0.000 0.507 162 T N 2.632 117.333 114.554 0.246 0.000 2.729 162 T HA 0.521 4.871 4.350 -0.000 0.000 0.296 162 T C 0.232 175.035 174.700 0.170 0.000 0.928 162 T CA -0.232 61.985 62.100 0.195 0.000 1.045 162 T CB 1.789 70.726 68.868 0.115 0.000 0.902 162 T HN 0.668 nan 8.240 nan 0.000 0.500 163 L N 5.105 126.391 121.223 0.104 0.000 2.513 163 L HA 0.157 4.497 4.340 -0.000 0.000 0.272 163 L C 0.628 177.384 176.870 -0.190 0.000 1.187 163 L CA 0.476 55.156 54.840 -0.268 0.000 0.895 163 L CB -0.106 41.804 42.059 -0.248 0.000 1.147 163 L HN 0.713 nan 8.230 nan 0.000 0.483 164 L N 4.467 125.535 121.223 -0.257 0.000 2.286 164 L HA 0.489 4.829 4.340 -0.000 0.000 0.203 164 L C 1.039 177.822 176.870 -0.144 0.000 1.068 164 L CA 0.482 55.212 54.840 -0.184 0.000 0.811 164 L CB -0.254 41.655 42.059 -0.251 0.000 0.989 164 L HN 0.857 nan 8.230 nan 0.000 0.467 165 G N -1.322 107.395 108.800 -0.138 0.000 2.325 165 G HA2 0.438 4.398 3.960 -0.000 0.000 0.297 165 G HA3 0.438 4.398 3.960 -0.000 0.000 0.297 165 G C -1.483 173.487 174.900 0.116 0.000 1.448 165 G CA -0.123 44.970 45.100 -0.011 0.000 0.838 165 G HN 0.139 nan 8.290 nan 0.000 0.579 166 G N -1.800 107.092 108.800 0.153 0.000 3.013 166 G HA2 0.505 4.465 3.960 -0.000 0.000 0.278 166 G HA3 0.505 4.465 3.960 -0.000 0.000 0.278 166 G C 0.137 175.090 174.900 0.088 0.000 1.353 166 G CA -0.360 44.804 45.100 0.108 0.000 1.043 166 G HN 0.646 nan 8.290 nan 0.000 0.523 167 Y N 0.159 120.267 120.300 -0.320 0.000 2.373 167 Y HA 0.129 4.679 4.550 -0.000 0.000 0.293 167 Y C 1.745 177.645 175.900 0.001 0.000 1.129 167 Y CA 1.060 58.974 58.100 -0.311 0.000 1.226 167 Y CB 0.034 38.256 38.460 -0.397 0.000 1.000 167 Y HN 0.294 nan 8.280 nan 0.000 0.549 168 T N 1.207 115.767 114.554 0.011 0.000 2.889 168 T HA 0.079 4.429 4.350 -0.000 0.000 0.291 168 T C 0.295 174.962 174.700 -0.055 0.000 0.995 168 T CA -0.248 61.824 62.100 -0.046 0.000 1.092 168 T CB 0.599 69.464 68.868 -0.005 0.000 0.954 168 T HN 0.402 nan 8.240 nan 0.000 0.506 169 N N 1.463 120.102 118.700 -0.101 0.000 2.735 169 N HA -0.191 4.549 4.740 -0.000 0.000 0.248 169 N C -0.819 174.650 175.510 -0.068 0.000 1.083 169 N CA 0.065 53.063 53.050 -0.087 0.000 0.703 169 N CB -0.410 38.047 38.487 -0.049 0.000 1.005 169 N HN 0.641 nan 8.380 nan 0.000 0.550 170 D N 0.318 120.660 120.400 -0.097 0.000 2.608 170 D HA 0.100 4.739 4.640 -0.000 0.000 0.224 170 D C 1.702 177.973 176.300 -0.048 0.000 1.123 170 D CA 0.459 54.463 54.000 0.006 0.000 1.030 170 D CB 0.201 41.118 40.800 0.195 0.000 1.093 170 D HN 0.383 nan 8.370 nan 0.000 0.497 171 T N -0.804 113.720 114.554 -0.051 0.000 2.915 171 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 171 T C 1.545 176.222 174.700 -0.039 0.000 1.071 171 T CA 0.880 62.945 62.100 -0.058 0.000 1.132 171 T CB -0.154 68.683 68.868 -0.051 0.000 0.878 171 T HN 0.328 nan 8.240 nan 0.000 0.479 172 Q N 0.884 120.668 119.800 -0.027 0.000 2.378 172 Q HA 0.117 4.457 4.340 -0.000 0.000 0.205 172 Q C 0.072 176.050 176.000 -0.037 0.000 0.954 172 Q CA -0.023 55.758 55.803 -0.037 0.000 0.901 172 Q CB -0.033 28.673 28.738 -0.053 0.000 0.981 172 Q HN 0.466 nan 8.270 nan 0.000 0.483 173 N N 0.206 118.906 118.700 -0.001 0.000 2.756 173 N HA -0.183 4.557 4.740 -0.000 0.000 0.248 173 N C 0.173 175.641 175.510 -0.070 0.000 1.062 173 N CA 0.388 53.457 53.050 0.032 0.000 0.696 173 N CB -1.208 37.287 38.487 0.013 0.000 0.946 173 N HN 0.328 nan 8.380 nan 0.000 0.548 174 L N -1.647 119.487 121.223 -0.149 0.000 2.291 174 L HA 0.063 4.403 4.340 -0.000 0.000 0.214 174 L C 0.626 177.026 176.870 -0.782 0.000 1.120 174 L CA 1.133 55.663 54.840 -0.516 0.000 0.799 174 L CB -0.084 41.539 42.059 -0.727 0.000 0.925 174 L HN 0.097 nan 8.230 nan 0.000 0.446 175 F N -2.752 117.136 119.950 -0.102 0.000 2.654 175 F HA 0.393 4.920 4.527 -0.000 0.000 0.334 175 F C 0.299 175.958 175.800 -0.235 0.000 1.078 175 F CA -1.044 56.839 58.000 -0.195 0.000 0.986 175 F CB 0.743 39.729 39.000 -0.023 0.000 1.362 175 F HN -0.246 nan 8.300 nan 0.000 0.498 176 H N -0.202 118.885 119.070 0.027 0.000 2.481 176 H HA 0.340 4.896 4.556 -0.000 0.000 0.339 176 H C -0.698 174.467 175.328 -0.271 0.000 1.131 176 H CA -0.499 55.523 56.048 -0.044 0.000 1.301 176 H CB 0.814 30.594 29.762 0.030 0.000 1.476 176 H HN 0.453 nan 8.280 nan 0.000 0.529 177 H N 2.632 121.809 119.070 0.180 0.000 2.535 177 H HA 0.140 4.696 4.556 -0.000 0.000 0.232 177 H C -0.252 175.085 175.328 0.016 0.000 1.405 177 H CA -0.295 55.784 56.048 0.052 0.000 1.224 177 H CB 0.207 29.909 29.762 -0.101 0.000 1.763 177 H HN 0.660 nan 8.280 nan 0.000 0.529 178 N N 0.959 119.705 118.700 0.077 0.000 2.338 178 N HA 0.169 4.909 4.740 -0.000 0.000 0.251 178 N C 1.109 176.609 175.510 -0.016 0.000 1.199 178 N CA 0.517 53.566 53.050 -0.000 0.000 0.879 178 N CB 2.072 40.524 38.487 -0.059 0.000 1.159 178 N HN 0.695 nan 8.380 nan 0.000 0.514 179 G N 0.054 108.864 108.800 0.017 0.000 2.642 179 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.231 179 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.231 179 G C -0.059 174.805 174.900 -0.059 0.000 1.338 179 G CA -0.480 44.610 45.100 -0.016 0.000 0.883 179 G HN 0.435 nan 8.290 nan 0.000 0.570 180 G N -1.179 107.560 108.800 -0.103 0.000 2.410 180 G HA2 0.702 4.662 3.960 -0.000 0.000 0.330 180 G HA3 0.702 4.662 3.960 -0.000 0.000 0.330 180 G C 0.171 174.924 174.900 -0.245 0.000 1.142 180 G CA 1.012 46.007 45.100 -0.174 0.000 0.902 180 G HN 1.339 nan 8.290 nan 0.000 0.491 181 T N -0.934 113.390 114.554 -0.384 0.000 2.899 181 T HA 0.267 4.617 4.350 -0.000 0.000 0.295 181 T C 0.788 175.140 174.700 -0.581 0.000 1.033 181 T CA 0.129 61.925 62.100 -0.507 0.000 1.084 181 T CB 0.885 69.318 68.868 -0.725 0.000 0.979 181 T HN 0.589 nan 8.240 nan 0.000 0.532 182 D N 1.832 121.986 120.400 -0.410 0.000 2.431 182 D HA 0.085 4.725 4.640 -0.000 0.000 0.213 182 D C 0.523 176.803 176.300 -0.033 0.000 1.130 182 D CA -0.349 53.529 54.000 -0.203 0.000 0.834 182 D CB -0.566 40.178 40.800 -0.092 0.000 0.985 182 D HN 0.582 nan 8.370 nan 0.000 0.504 183 F N 0.392 120.282 119.950 -0.101 0.000 3.006 183 F HA -0.315 4.212 4.527 -0.000 0.000 0.289 183 F C 1.890 177.652 175.800 -0.063 0.000 0.772 183 F CA 0.704 58.657 58.000 -0.079 0.000 1.162 183 F CB -2.548 36.398 39.000 -0.090 0.000 1.382 183 F HN 0.156 nan 8.300 nan 0.000 0.406 184 S N -1.428 114.296 115.700 0.041 0.000 2.402 184 S HA 0.043 4.513 4.470 -0.000 0.000 0.229 184 S C 0.967 175.575 174.600 0.014 0.000 1.021 184 S CA 1.249 59.463 58.200 0.023 0.000 0.974 184 S CB -0.131 63.060 63.200 -0.014 0.000 0.800 184 S HN 0.729 nan 8.310 nan 0.000 0.484 185 T N -3.421 111.122 114.554 -0.017 0.000 2.883 185 T HA 0.504 4.854 4.350 -0.000 0.000 0.301 185 T C 0.633 175.296 174.700 -0.063 0.000 1.158 185 T CA -0.262 61.824 62.100 -0.023 0.000 1.007 185 T CB 1.317 70.157 68.868 -0.048 0.000 1.186 185 T HN -0.075 nan 8.240 nan 0.000 0.499 186 T N 0.596 115.124 114.554 -0.043 0.000 2.684 186 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 186 T C 1.651 176.185 174.700 -0.277 0.000 1.036 186 T CA 1.928 63.967 62.100 -0.101 0.000 1.148 186 T CB -0.450 68.460 68.868 0.070 0.000 0.863 186 T HN 0.850 nan 8.240 nan 0.000 0.436 187 E N 1.255 121.202 120.200 -0.421 0.000 2.085 187 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 187 E C 2.314 178.727 176.600 -0.312 0.000 0.994 187 E CA 1.126 57.098 56.400 -0.713 0.000 0.801 187 E CB -0.215 28.936 29.700 -0.915 0.000 0.743 187 E HN 0.376 nan 8.360 nan 0.000 0.453 188 N N 0.239 118.806 118.700 -0.222 0.000 2.120 188 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 188 N C 1.890 177.279 175.510 -0.201 0.000 1.024 188 N CA 1.562 54.510 53.050 -0.171 0.000 0.852 188 N CB -0.351 38.046 38.487 -0.150 0.000 1.003 188 N HN 0.266 nan 8.380 nan 0.000 0.424 189 G N 0.154 108.836 108.800 -0.197 0.000 2.650 189 G HA2 0.006 3.966 3.960 -0.000 0.000 0.214 189 G HA3 0.006 3.966 3.960 -0.000 0.000 0.214 189 G C 1.668 176.529 174.900 -0.066 0.000 1.136 189 G CA 0.061 45.087 45.100 -0.124 0.000 0.789 189 G HN 0.326 nan 8.290 nan 0.000 0.536 190 I N -1.403 119.010 120.570 -0.263 0.000 2.556 190 I HA 0.095 4.264 4.170 -0.000 0.000 0.251 190 I C 1.324 177.135 176.117 -0.510 0.000 1.105 190 I CA 0.477 61.516 61.300 -0.434 0.000 1.436 190 I CB 0.204 37.759 38.000 -0.742 0.000 1.139 190 I HN 0.063 nan 8.210 nan 0.000 0.438 191 Y N 1.434 121.626 120.300 -0.181 0.000 2.493 191 Y HA 0.290 4.840 4.550 -0.000 0.000 0.275 191 Y C 0.513 176.240 175.900 -0.289 0.000 1.183 191 Y CA -0.115 57.791 58.100 -0.324 0.000 1.258 191 Y CB -0.103 38.142 38.460 -0.359 0.000 1.108 191 Y HN -0.059 nan 8.280 nan 0.000 0.521 192 K N 0.074 120.417 120.400 -0.094 0.000 2.400 192 K HA 0.328 4.648 4.320 -0.000 0.000 0.246 192 K C -0.730 175.805 176.600 -0.109 0.000 0.995 192 K CA -1.237 54.992 56.287 -0.097 0.000 0.840 192 K CB 1.154 33.561 32.500 -0.155 0.000 1.293 192 K HN -0.104 nan 8.250 nan 0.000 0.445 193 N N 1.242 119.874 118.700 -0.115 0.000 2.508 193 N HA 0.147 4.887 4.740 -0.000 0.000 0.264 193 N C -0.470 174.880 175.510 -0.266 0.000 1.216 193 N CA -0.027 52.933 53.050 -0.149 0.000 0.943 193 N CB 0.402 38.803 38.487 -0.144 0.000 1.113 193 N HN 0.332 nan 8.380 nan 0.000 0.447 194 L N 3.337 124.400 121.223 -0.265 0.000 2.281 194 L HA 0.204 4.544 4.340 -0.000 0.000 0.285 194 L C 0.236 177.022 176.870 -0.140 0.000 1.074 194 L CA -0.278 54.353 54.840 -0.348 0.000 0.817 194 L CB -0.133 41.753 42.059 -0.288 0.000 1.168 194 L HN 0.597 nan 8.230 nan 0.000 0.434 195 Y N 1.368 121.537 120.300 -0.219 0.000 2.864 195 Y HA -0.435 4.115 4.550 -0.000 0.000 0.468 195 Y C 1.231 177.021 175.900 -0.185 0.000 1.175 195 Y CA 1.546 59.540 58.100 -0.177 0.000 2.601 195 Y CB -0.845 37.508 38.460 -0.179 0.000 1.207 195 Y HN 0.821 nan 8.280 nan 0.000 0.627 196 D N 0.590 121.014 120.400 0.041 0.000 2.462 196 D HA 0.235 4.875 4.640 -0.000 0.000 0.221 196 D C -0.465 175.727 176.300 -0.179 0.000 1.173 196 D CA 0.037 53.995 54.000 -0.070 0.000 0.831 196 D CB -0.596 40.204 40.800 -0.001 0.000 1.001 196 D HN 0.403 nan 8.370 nan 0.000 0.499 197 L N 1.244 122.353 121.223 -0.190 0.000 2.410 197 L HA 0.378 4.718 4.340 -0.000 0.000 0.273 197 L C 0.790 177.480 176.870 -0.300 0.000 1.144 197 L CA -0.839 53.843 54.840 -0.264 0.000 0.863 197 L CB 0.735 42.576 42.059 -0.364 0.000 1.140 197 L HN 0.022 nan 8.230 nan 0.000 0.463 198 A N 2.862 125.439 122.820 -0.405 0.000 2.505 198 A HA 0.006 4.326 4.320 -0.000 0.000 0.271 198 A C -0.006 177.557 177.584 -0.036 0.000 1.112 198 A CA -0.210 51.482 52.037 -0.575 0.000 0.781 198 A CB -0.368 18.120 19.000 -0.853 0.000 1.059 198 A HN 0.745 nan 8.150 nan 0.000 0.508 199 D N 2.574 122.982 120.400 0.013 0.000 2.343 199 D HA 0.344 4.983 4.640 -0.000 0.000 0.255 199 D C 0.070 176.404 176.300 0.058 0.000 1.187 199 D CA 0.185 54.246 54.000 0.103 0.000 0.875 199 D CB 0.332 41.207 40.800 0.124 0.000 1.136 199 D HN 0.486 nan 8.370 nan 0.000 0.469 200 L N 3.553 124.717 121.223 -0.098 0.000 2.426 200 L HA 0.143 4.483 4.340 -0.000 0.000 0.271 200 L C 0.614 176.966 176.870 -0.862 0.000 1.169 200 L CA -0.301 54.246 54.840 -0.488 0.000 0.836 200 L CB 0.457 42.152 42.059 -0.605 0.000 1.112 200 L HN 0.434 nan 8.230 nan 0.000 0.465 201 N N 1.057 119.228 118.700 -0.881 0.000 2.589 201 N HA 0.116 4.856 4.740 -0.000 0.000 0.232 201 N C 0.447 175.575 175.510 -0.636 0.000 1.015 201 N CA -0.277 52.300 53.050 -0.788 0.000 0.931 201 N CB 0.375 38.560 38.487 -0.504 0.000 1.150 201 N HN 0.415 nan 8.380 nan 0.000 0.512 202 H N 0.806 119.589 119.070 -0.478 0.000 2.559 202 H HA 0.031 4.587 4.556 -0.000 0.000 0.273 202 H C 1.455 176.618 175.328 -0.276 0.000 1.000 202 H CA 0.593 56.255 56.048 -0.643 0.000 1.195 202 H CB 0.223 29.131 29.762 -1.424 0.000 1.368 202 H HN 0.583 nan 8.280 nan 0.000 0.592 203 N N 0.799 119.487 118.700 -0.019 0.000 2.463 203 N HA -0.116 4.624 4.740 -0.000 0.000 0.181 203 N C 0.148 175.674 175.510 0.027 0.000 1.078 203 N CA -0.035 53.063 53.050 0.081 0.000 0.902 203 N CB 0.146 38.719 38.487 0.143 0.000 0.970 203 N HN 0.255 nan 8.380 nan 0.000 0.451 204 N N 1.067 119.731 118.700 -0.060 0.000 2.430 204 N HA 0.024 4.764 4.740 -0.000 0.000 0.265 204 N C 0.363 175.856 175.510 -0.029 0.000 1.100 204 N CA 0.125 53.134 53.050 -0.068 0.000 0.961 204 N CB 1.388 39.781 38.487 -0.156 0.000 1.075 204 N HN -0.037 nan 8.380 nan 0.000 0.478 205 S N 2.460 118.168 115.700 0.014 0.000 2.383 205 S HA -0.132 4.338 4.470 -0.000 0.000 0.229 205 S C 1.586 176.216 174.600 0.049 0.000 1.030 205 S CA 1.678 59.909 58.200 0.052 0.000 1.002 205 S CB -0.054 63.177 63.200 0.051 0.000 0.829 205 S HN 0.723 nan 8.310 nan 0.000 0.467 206 T N 1.846 116.402 114.554 0.004 0.000 2.708 206 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 206 T C 1.942 176.657 174.700 0.025 0.000 1.037 206 T CA 1.362 63.464 62.100 0.004 0.000 1.146 206 T CB -0.476 68.358 68.868 -0.058 0.000 0.865 206 T HN 0.211 nan 8.240 nan 0.000 0.435 207 V N 1.877 121.752 119.914 -0.065 0.000 2.295 207 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 207 V C 2.404 178.545 176.094 0.079 0.000 1.049 207 V CA 2.151 64.397 62.300 -0.091 0.000 1.024 207 V CB -0.729 30.897 31.823 -0.328 0.000 0.648 207 V HN 0.518 nan 8.190 nan 0.000 0.447 208 D N 0.164 120.632 120.400 0.114 0.000 2.087 208 D HA -0.176 4.464 4.640 -0.000 0.000 0.192 208 D C 1.982 178.494 176.300 0.353 0.000 0.993 208 D CA 1.932 56.142 54.000 0.349 0.000 0.828 208 D CB -0.183 40.834 40.800 0.362 0.000 0.968 208 D HN 0.185 nan 8.370 nan 0.000 0.448 209 V N -0.167 119.887 119.914 0.233 0.000 2.407 209 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 209 V C 2.138 178.348 176.094 0.193 0.000 1.055 209 V CA 1.850 64.259 62.300 0.182 0.000 1.049 209 V CB -0.921 30.980 31.823 0.129 0.000 0.662 209 V HN 0.347 nan 8.190 nan 0.000 0.455 210 Y N 0.665 121.022 120.300 0.095 0.000 2.114 210 Y HA -0.226 4.324 4.550 -0.000 0.000 0.284 210 Y C 2.201 178.189 175.900 0.147 0.000 1.143 210 Y CA 1.758 59.913 58.100 0.092 0.000 1.135 210 Y CB -0.308 38.179 38.460 0.045 0.000 0.980 210 Y HN 0.143 nan 8.280 nan 0.000 0.499 211 L N 0.048 121.365 121.223 0.157 0.000 2.083 211 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 211 L C 2.410 179.476 176.870 0.326 0.000 1.083 211 L CA 1.712 56.664 54.840 0.186 0.000 0.752 211 L CB -0.505 41.792 42.059 0.397 0.000 0.899 211 L HN 0.155 nan 8.230 nan 0.000 0.433 212 K N -0.325 120.249 120.400 0.290 0.000 2.148 212 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 212 K C 1.665 178.237 176.600 -0.046 0.000 1.050 212 K CA 1.164 57.504 56.287 0.089 0.000 0.942 212 K CB -0.060 32.465 32.500 0.042 0.000 0.724 212 K HN 0.233 nan 8.250 nan 0.000 0.446 213 D N 0.598 120.975 120.400 -0.039 0.000 2.144 213 D HA -0.086 4.554 4.640 -0.000 0.000 0.200 213 D C 1.818 178.061 176.300 -0.095 0.000 0.978 213 D CA 1.062 55.005 54.000 -0.095 0.000 0.833 213 D CB -0.069 40.692 40.800 -0.065 0.000 0.961 213 D HN 0.174 nan 8.370 nan 0.000 0.470 214 A N 0.954 123.722 122.820 -0.086 0.000 1.877 214 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 214 A C 2.218 179.920 177.584 0.197 0.000 1.186 214 A CA 0.936 53.002 52.037 0.048 0.000 0.620 214 A CB -0.707 18.364 19.000 0.118 0.000 0.822 214 A HN 0.199 nan 8.150 nan 0.000 0.443 215 I N -0.045 120.597 120.570 0.120 0.000 2.361 215 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 215 I C 2.130 178.244 176.117 -0.006 0.000 1.133 215 I CA 1.544 62.806 61.300 -0.064 0.000 1.413 215 I CB -0.241 37.590 38.000 -0.281 0.000 1.073 215 I HN 0.228 nan 8.210 nan 0.000 0.424 216 K N -0.360 119.995 120.400 -0.074 0.000 2.097 216 K HA -0.210 4.110 4.320 -0.000 0.000 0.206 216 K C 2.147 178.748 176.600 0.002 0.000 1.049 216 K CA 1.815 58.055 56.287 -0.077 0.000 0.933 216 K CB -0.378 31.919 32.500 -0.338 0.000 0.717 216 K HN 0.432 nan 8.250 nan 0.000 0.442 217 M N -0.262 119.289 119.600 -0.081 0.000 2.108 217 M HA -0.197 4.283 4.480 -0.000 0.000 0.261 217 M C 1.538 177.702 176.300 -0.226 0.000 1.066 217 M CA 1.859 57.044 55.300 -0.191 0.000 1.107 217 M CB -0.210 32.184 32.600 -0.343 0.000 1.356 217 M HN 0.183 nan 8.290 nan 0.000 0.406 218 W N 0.569 121.858 121.300 -0.018 0.000 2.388 218 W HA -0.087 4.573 4.660 0.000 0.000 0.294 218 W C 2.075 178.625 176.519 0.052 0.000 1.212 218 W CA 0.684 58.017 57.345 -0.020 0.000 1.271 218 W CB -0.498 28.916 29.460 -0.076 0.000 1.126 218 W HN 0.188 nan 8.180 nan 0.000 0.535 219 L N -0.039 121.325 121.223 0.235 0.000 2.046 219 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 219 L C 1.909 178.883 176.870 0.173 0.000 1.077 219 L CA 1.230 56.191 54.840 0.201 0.000 0.747 219 L CB -0.765 41.423 42.059 0.214 0.000 0.896 219 L HN -0.078 nan 8.230 nan 0.000 0.432 220 D N 0.012 120.508 120.400 0.159 0.000 2.264 220 D HA -0.107 4.533 4.640 -0.000 0.000 0.208 220 D C 2.175 178.533 176.300 0.097 0.000 0.966 220 D CA 0.986 55.055 54.000 0.115 0.000 0.864 220 D CB 0.014 40.871 40.800 0.094 0.000 0.933 220 D HN 0.320 nan 8.370 nan 0.000 0.499 221 L N -0.588 120.709 121.223 0.124 0.000 2.610 221 L HA 0.108 4.448 4.340 -0.000 0.000 0.232 221 L C 1.418 178.419 176.870 0.218 0.000 1.149 221 L CA 0.471 55.420 54.840 0.180 0.000 0.872 221 L CB -0.048 42.169 42.059 0.264 0.000 0.992 221 L HN 0.129 nan 8.230 nan 0.000 0.447 222 G N 0.969 109.890 108.800 0.201 0.000 2.144 222 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 222 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 222 G C 0.411 175.458 174.900 0.245 0.000 0.988 222 G CA 0.093 45.313 45.100 0.200 0.000 0.659 222 G HN 0.419 nan 8.290 nan 0.000 0.522 223 I N -2.188 118.550 120.570 0.280 0.000 2.892 223 I HA 0.386 4.556 4.170 -0.000 0.000 0.287 223 I C 0.575 176.856 176.117 0.273 0.000 1.205 223 I CA 0.199 61.668 61.300 0.281 0.000 1.409 223 I CB 0.565 38.752 38.000 0.311 0.000 1.367 223 I HN -0.066 nan 8.210 nan 0.000 0.597 224 D N 3.531 124.125 120.400 0.323 0.000 2.379 224 D HA 0.273 4.913 4.640 -0.000 0.000 0.208 224 D C 0.611 177.203 176.300 0.487 0.000 1.065 224 D CA 0.363 54.596 54.000 0.390 0.000 0.848 224 D CB 1.203 42.259 40.800 0.426 0.000 0.949 224 D HN 0.859 nan 8.370 nan 0.000 0.509 225 G N 0.318 109.321 108.800 0.339 0.000 2.576 225 G HA2 0.565 4.525 3.960 -0.000 0.000 0.290 225 G HA3 0.565 4.525 3.960 -0.000 0.000 0.290 225 G C -1.792 173.159 174.900 0.085 0.000 1.442 225 G CA -0.689 44.535 45.100 0.207 0.000 0.792 225 G HN -0.004 nan 8.290 nan 0.000 0.491 226 I N 0.092 120.638 120.570 -0.041 0.000 2.533 226 I HA 0.487 4.657 4.170 -0.000 0.000 0.290 226 I C -0.117 175.713 176.117 -0.478 0.000 1.056 226 I CA -0.772 60.431 61.300 -0.161 0.000 1.057 226 I CB 2.642 40.581 38.000 -0.101 0.000 1.240 226 I HN 0.442 nan 8.210 nan 0.000 0.423 227 R N 6.989 127.140 120.500 -0.583 0.000 2.247 227 R HA 0.469 4.809 4.340 -0.000 0.000 0.329 227 R C -0.927 175.057 176.300 -0.526 0.000 1.014 227 R CA -0.656 54.814 56.100 -1.050 0.000 0.907 227 R CB 0.677 30.315 30.300 -1.104 0.000 1.146 227 R HN 0.507 nan 8.270 nan 0.000 0.499 228 M N 3.177 122.533 119.600 -0.407 0.000 2.184 228 M HA 0.074 4.554 4.480 -0.000 0.000 0.351 228 M C -0.255 176.007 176.300 -0.065 0.000 1.395 228 M CA -0.119 55.111 55.300 -0.118 0.000 1.117 228 M CB 0.641 33.226 32.600 -0.025 0.000 1.708 228 M HN 0.538 nan 8.290 nan 0.000 0.468 229 D N 2.766 123.170 120.400 0.007 0.000 2.302 229 D HA 0.442 5.082 4.640 -0.000 0.000 0.248 229 D C 0.298 176.659 176.300 0.102 0.000 1.094 229 D CA 0.280 54.330 54.000 0.085 0.000 0.897 229 D CB 0.828 41.740 40.800 0.188 0.000 1.200 229 D HN 0.832 nan 8.370 nan 0.000 0.429 230 A N 2.570 125.470 122.820 0.133 0.000 2.511 230 A HA -0.166 4.154 4.320 -0.000 0.000 0.297 230 A C 1.449 179.100 177.584 0.112 0.000 1.476 230 A CA 0.982 53.126 52.037 0.178 0.000 0.757 230 A CB -2.240 16.894 19.000 0.224 0.000 1.072 230 A HN 1.072 nan 8.150 nan 0.000 0.413 231 V N -1.664 118.274 119.914 0.040 0.000 2.809 231 V HA -0.095 4.025 4.120 -0.000 0.000 0.256 231 V C 1.864 177.827 176.094 -0.218 0.000 1.080 231 V CA 2.350 64.640 62.300 -0.016 0.000 1.102 231 V CB -0.580 31.253 31.823 0.016 0.000 0.705 231 V HN 0.692 nan 8.190 nan 0.000 0.475 232 K N -0.675 119.410 120.400 -0.524 0.000 2.504 232 K HA -0.069 4.251 4.320 -0.000 0.000 0.195 232 K C 1.439 177.556 176.600 -0.805 0.000 1.036 232 K CA 0.822 56.474 56.287 -1.058 0.000 0.984 232 K CB -0.117 31.286 32.500 -1.828 0.000 0.788 232 K HN 0.689 nan 8.250 nan 0.000 0.488 233 H N -0.831 118.112 119.070 -0.211 0.000 2.672 233 H HA 0.228 4.784 4.556 -0.000 0.000 0.277 233 H C -0.068 175.155 175.328 -0.175 0.000 1.074 233 H CA 0.037 55.970 56.048 -0.190 0.000 1.173 233 H CB 0.357 30.047 29.762 -0.121 0.000 1.558 233 H HN 0.132 nan 8.280 nan 0.000 0.539 234 M N 0.839 120.404 119.600 -0.058 0.000 2.664 234 M HA 0.362 4.842 4.480 -0.000 0.000 0.314 234 M C -2.562 173.678 176.300 -0.099 0.000 1.200 234 M CA -1.955 53.299 55.300 -0.078 0.000 0.916 234 M CB 2.427 35.011 32.600 -0.027 0.000 1.717 234 M HN -0.236 nan 8.290 nan 0.000 0.470 235 P HA -0.010 nan 4.420 nan 0.000 0.263 235 P C -0.138 177.291 177.300 0.215 0.000 1.195 235 P CA 0.135 63.193 63.100 -0.070 0.000 0.762 235 P CB 0.127 31.893 31.700 0.110 0.000 0.799 236 F N 2.436 122.529 119.950 0.238 0.000 2.171 236 F HA -0.071 4.456 4.527 -0.000 0.000 0.300 236 F C 2.459 178.405 175.800 0.244 0.000 1.090 236 F CA 1.584 59.815 58.000 0.385 0.000 1.293 236 F CB -2.040 37.254 39.000 0.490 0.000 1.013 236 F HN 0.359 nan 8.300 nan 0.000 0.486 237 G N -1.312 107.691 108.800 0.339 0.000 2.422 237 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 237 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 237 G C 1.569 176.606 174.900 0.227 0.000 1.146 237 G CA 0.575 45.827 45.100 0.253 0.000 0.769 237 G HN 0.478 nan 8.290 nan 0.000 0.547 238 W N 1.337 122.715 121.300 0.130 0.000 2.381 238 W HA -0.041 4.619 4.660 -0.000 0.000 0.301 238 W C 2.761 179.361 176.519 0.134 0.000 1.205 238 W CA 1.577 58.990 57.345 0.114 0.000 1.285 238 W CB -0.095 29.393 29.460 0.047 0.000 1.133 238 W HN 0.274 nan 8.180 nan 0.000 0.521 239 Q N 0.267 120.122 119.800 0.092 0.000 2.124 239 Q HA -0.266 4.074 4.340 -0.000 0.000 0.202 239 Q C 2.187 178.132 176.000 -0.091 0.000 0.977 239 Q CA 1.893 57.663 55.803 -0.054 0.000 0.850 239 Q CB -0.463 28.458 28.738 0.304 0.000 0.901 239 Q HN 0.371 nan 8.270 nan 0.000 0.429 240 K N 0.839 121.216 120.400 -0.038 0.000 2.057 240 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 240 K C 2.289 178.824 176.600 -0.109 0.000 1.049 240 K CA 1.625 57.870 56.287 -0.070 0.000 0.931 240 K CB -0.083 32.403 32.500 -0.023 0.000 0.714 240 K HN 0.192 nan 8.250 nan 0.000 0.440 241 S N -0.084 115.524 115.700 -0.152 0.000 2.402 241 S HA -0.163 4.307 4.470 -0.000 0.000 0.229 241 S C 1.881 176.323 174.600 -0.263 0.000 1.021 241 S CA 0.731 58.827 58.200 -0.175 0.000 0.974 241 S CB -0.597 62.516 63.200 -0.144 0.000 0.800 241 S HN 0.437 nan 8.310 nan 0.000 0.484 242 F N 2.170 121.756 119.950 -0.607 0.000 2.113 242 F HA 0.072 4.599 4.527 -0.000 0.000 0.297 242 F C 2.319 177.944 175.800 -0.292 0.000 1.103 242 F CA 1.436 59.090 58.000 -0.577 0.000 1.248 242 F CB -0.273 38.196 39.000 -0.886 0.000 0.999 242 F HN 0.096 nan 8.300 nan 0.000 0.475 243 M N 0.383 119.932 119.600 -0.085 0.000 2.213 243 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 243 M C 2.437 178.646 176.300 -0.151 0.000 1.062 243 M CA 1.410 56.649 55.300 -0.101 0.000 1.105 243 M CB -2.022 30.552 32.600 -0.044 0.000 1.385 243 M HN 0.337 nan 8.290 nan 0.000 0.417 244 A N 0.116 122.848 122.820 -0.147 0.000 1.898 244 A HA 0.052 4.372 4.320 -0.000 0.000 0.216 244 A C 2.453 179.958 177.584 -0.131 0.000 1.181 244 A CA 1.890 53.859 52.037 -0.114 0.000 0.620 244 A CB -0.846 18.100 19.000 -0.090 0.000 0.819 244 A HN 0.449 nan 8.150 nan 0.000 0.442 245 A N -0.489 122.205 122.820 -0.209 0.000 1.902 245 A HA -0.020 4.299 4.320 -0.000 0.000 0.217 245 A C 2.253 179.717 177.584 -0.201 0.000 1.181 245 A CA 1.880 53.784 52.037 -0.222 0.000 0.623 245 A CB -0.968 17.836 19.000 -0.327 0.000 0.818 245 A HN 0.365 nan 8.150 nan 0.000 0.443 246 V N 0.951 120.684 119.914 -0.301 0.000 2.261 246 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 246 V C 2.281 178.350 176.094 -0.042 0.000 1.047 246 V CA 2.234 64.420 62.300 -0.190 0.000 1.015 246 V CB -0.989 30.680 31.823 -0.256 0.000 0.642 246 V HN 0.564 nan 8.190 nan 0.000 0.446 247 N N 0.843 119.511 118.700 -0.054 0.000 2.223 247 N HA -0.111 4.629 4.740 -0.000 0.000 0.185 247 N C 1.411 176.931 175.510 0.015 0.000 1.016 247 N CA 1.091 54.138 53.050 -0.006 0.000 0.863 247 N CB -0.553 37.927 38.487 -0.012 0.000 0.983 247 N HN 0.454 nan 8.380 nan 0.000 0.429 248 N N -0.389 118.318 118.700 0.012 0.000 2.461 248 N HA -0.056 4.684 4.740 -0.000 0.000 0.188 248 N C 0.641 176.210 175.510 0.099 0.000 1.134 248 N CA 0.180 53.250 53.050 0.034 0.000 0.878 248 N CB 0.213 38.707 38.487 0.012 0.000 0.972 248 N HN 0.378 nan 8.380 nan 0.000 0.456 249 Y N 0.737 121.004 120.300 -0.055 0.000 2.972 249 Y HA 0.345 4.895 4.550 -0.000 0.000 0.211 249 Y C -0.453 175.431 175.900 -0.027 0.000 0.969 249 Y CA 0.450 58.521 58.100 -0.047 0.000 1.574 249 Y CB 0.614 39.031 38.460 -0.071 0.000 1.364 249 Y HN -0.328 nan 8.280 nan 0.000 0.467 250 K N 2.726 123.041 120.400 -0.142 0.000 2.675 250 K HA 0.314 4.634 4.320 -0.000 0.000 0.224 250 K C -2.903 173.683 176.600 -0.023 0.000 1.003 250 K CA -2.082 54.088 56.287 -0.195 0.000 1.034 250 K CB 1.743 34.056 32.500 -0.313 0.000 1.218 250 K HN 0.095 nan 8.250 nan 0.000 0.507 251 P HA 0.008 nan 4.420 nan 0.000 0.267 251 P C -0.348 177.010 177.300 0.097 0.000 1.209 251 P CA -0.220 62.911 63.100 0.052 0.000 0.763 251 P CB 0.997 32.738 31.700 0.067 0.000 0.816 252 V N 1.369 121.357 119.914 0.123 0.000 2.925 252 V HA 0.483 4.603 4.120 -0.000 0.000 0.311 252 V C -0.378 175.860 176.094 0.240 0.000 1.104 252 V CA -1.476 60.947 62.300 0.206 0.000 0.954 252 V CB 1.692 33.628 31.823 0.188 0.000 1.022 252 V HN 0.334 nan 8.190 nan 0.000 0.427 253 F N 2.843 122.909 119.950 0.194 0.000 2.593 253 F HA 0.484 5.011 4.527 -0.000 0.000 0.393 253 F C 0.430 176.277 175.800 0.079 0.000 1.037 253 F CA 1.179 59.262 58.000 0.139 0.000 1.195 253 F CB 0.085 39.129 39.000 0.073 0.000 1.034 253 F HN 0.803 nan 8.300 nan 0.000 0.552 254 T N 8.115 122.391 114.554 -0.464 0.000 2.886 254 T HA 0.621 4.971 4.350 -0.000 0.000 0.292 254 T C -1.214 173.253 174.700 -0.388 0.000 1.012 254 T CA -0.328 61.556 62.100 -0.360 0.000 0.982 254 T CB 1.125 69.911 68.868 -0.137 0.000 1.018 254 T HN 0.434 nan 8.240 nan 0.000 0.451 255 F N -0.489 119.208 119.950 -0.421 0.000 2.613 255 F HA 0.897 5.424 4.527 -0.000 0.000 0.310 255 F C -0.123 175.643 175.800 -0.057 0.000 1.085 255 F CA -1.390 56.465 58.000 -0.242 0.000 0.945 255 F CB 0.953 39.788 39.000 -0.275 0.000 1.298 255 F HN 0.726 nan 8.300 nan 0.000 0.455 256 G N 0.382 109.263 108.800 0.136 0.000 2.489 256 G HA2 0.579 4.538 3.960 -0.000 0.000 0.327 256 G HA3 0.579 4.538 3.960 -0.000 0.000 0.327 256 G C -1.627 173.417 174.900 0.240 0.000 1.189 256 G CA -0.991 44.178 45.100 0.115 0.000 0.962 256 G HN 0.706 nan 8.290 nan 0.000 0.486 257 E N 0.566 120.890 120.200 0.205 0.000 2.081 257 E HA 0.138 4.488 4.350 -0.000 0.000 0.276 257 E C -1.371 175.432 176.600 0.338 0.000 0.950 257 E CA -0.558 56.049 56.400 0.345 0.000 0.776 257 E CB 2.018 31.895 29.700 0.295 0.000 1.094 257 E HN 0.455 nan 8.360 nan 0.000 0.402 258 W N 6.858 128.247 121.300 0.149 0.000 2.517 258 W HA 0.245 4.904 4.660 -0.000 0.000 0.301 258 W C -1.501 174.868 176.519 -0.251 0.000 1.002 258 W CA -1.794 55.531 57.345 -0.033 0.000 1.415 258 W CB 0.309 29.728 29.460 -0.068 0.000 1.275 258 W HN 0.443 nan 8.180 nan 0.000 0.413 259 F N 6.002 125.737 119.950 -0.360 0.000 2.607 259 F HA 0.279 4.806 4.527 -0.000 0.000 0.374 259 F C -0.584 175.010 175.800 -0.343 0.000 1.104 259 F CA 0.841 58.274 58.000 -0.945 0.000 1.296 259 F CB 0.611 39.255 39.000 -0.594 0.000 1.085 259 F HN 0.180 nan 8.300 nan 0.000 0.584 260 L N 6.039 126.556 121.223 -1.178 0.000 2.386 260 L HA 0.534 4.874 4.340 -0.000 0.000 0.271 260 L C 0.469 176.826 176.870 -0.856 0.000 0.993 260 L CA -0.900 53.633 54.840 -0.513 0.000 0.819 260 L CB 1.720 43.732 42.059 -0.077 0.000 1.294 260 L HN 0.792 nan 8.230 nan 0.000 0.414 261 G N 1.401 110.014 108.800 -0.312 0.000 2.557 261 G HA2 0.456 4.416 3.960 -0.000 0.000 0.292 261 G HA3 0.456 4.416 3.960 -0.000 0.000 0.292 261 G C -0.203 174.686 174.900 -0.019 0.000 1.237 261 G CA -0.553 44.500 45.100 -0.078 0.000 0.978 261 G HN 0.280 nan 8.290 nan 0.000 0.498 262 V N 1.756 121.698 119.914 0.047 0.000 2.694 262 V HA -0.011 4.109 4.120 -0.000 0.000 0.306 262 V C 0.947 177.062 176.094 0.035 0.000 1.054 262 V CA 0.486 62.810 62.300 0.040 0.000 1.161 262 V CB 0.759 32.609 31.823 0.046 0.000 0.916 262 V HN 0.937 nan 8.190 nan 0.000 0.490 263 N N 1.530 120.248 118.700 0.029 0.000 2.815 263 N HA -0.194 4.546 4.740 -0.000 0.000 0.247 263 N C 0.402 175.933 175.510 0.036 0.000 1.030 263 N CA 1.482 54.550 53.050 0.030 0.000 0.881 263 N CB -0.593 37.910 38.487 0.026 0.000 1.134 263 N HN 0.940 nan 8.380 nan 0.000 0.582 264 E N 1.022 121.244 120.200 0.036 0.000 2.130 264 E HA 0.359 4.709 4.350 -0.000 0.000 0.284 264 E C -0.808 175.816 176.600 0.040 0.000 1.018 264 E CA -0.303 56.119 56.400 0.037 0.000 0.817 264 E CB 0.872 30.595 29.700 0.038 0.000 1.078 264 E HN -0.028 nan 8.360 nan 0.000 0.396 265 V N 4.157 124.088 119.914 0.028 0.000 2.350 265 V HA 0.197 4.317 4.120 -0.000 0.000 0.285 265 V C -0.233 175.802 176.094 -0.100 0.000 1.014 265 V CA -0.605 61.704 62.300 0.015 0.000 0.831 265 V CB 1.482 33.344 31.823 0.066 0.000 1.000 265 V HN 0.585 nan 8.190 nan 0.000 0.433 266 S N 6.502 122.040 115.700 -0.271 0.000 2.474 266 S HA 0.497 4.967 4.470 -0.000 0.000 0.321 266 S C -1.713 172.463 174.600 -0.706 0.000 1.080 266 S CA -1.514 56.488 58.200 -0.329 0.000 1.106 266 S CB 1.854 64.969 63.200 -0.142 0.000 0.984 266 S HN 0.484 nan 8.310 nan 0.000 0.464 267 P HA -0.074 nan 4.420 nan 0.000 0.216 267 P C 1.131 178.309 177.300 -0.204 0.000 1.150 267 P CA 0.966 63.888 63.100 -0.297 0.000 0.837 267 P CB 0.216 31.876 31.700 -0.066 0.000 0.786 268 E N -0.759 119.377 120.200 -0.107 0.000 2.077 268 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 268 E C 2.011 178.425 176.600 -0.311 0.000 0.989 268 E CA 0.776 57.181 56.400 0.008 0.000 0.800 268 E CB -0.559 29.325 29.700 0.306 0.000 0.746 268 E HN 0.243 nan 8.360 nan 0.000 0.452 269 N N 0.954 119.252 118.700 -0.670 0.000 2.069 269 N HA -0.208 4.532 4.740 -0.000 0.000 0.191 269 N C 1.580 176.837 175.510 -0.421 0.000 1.031 269 N CA 1.546 53.886 53.050 -1.184 0.000 0.852 269 N CB -0.227 37.626 38.487 -1.057 0.000 1.018 269 N HN 0.403 nan 8.380 nan 0.000 0.423 270 H N 0.122 119.006 119.070 -0.310 0.000 2.319 270 H HA -0.085 4.471 4.556 -0.000 0.000 0.299 270 H C 2.229 177.487 175.328 -0.117 0.000 1.092 270 H CA 1.426 57.307 56.048 -0.278 0.000 1.302 270 H CB 0.068 29.609 29.762 -0.368 0.000 1.373 270 H HN 0.265 nan 8.280 nan 0.000 0.497 271 K N 0.663 121.078 120.400 0.025 0.000 2.097 271 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 271 K C 1.993 178.606 176.600 0.020 0.000 1.049 271 K CA 1.177 57.483 56.287 0.031 0.000 0.933 271 K CB -0.145 32.387 32.500 0.053 0.000 0.717 271 K HN 0.144 nan 8.250 nan 0.000 0.442 272 F N 1.183 121.020 119.950 -0.189 0.000 2.075 272 F HA -0.180 4.347 4.527 -0.000 0.000 0.297 272 F C 2.062 177.819 175.800 -0.071 0.000 1.113 272 F CA 1.767 59.643 58.000 -0.206 0.000 1.218 272 F CB -0.488 38.282 39.000 -0.382 0.000 0.984 272 F HN 0.099 nan 8.300 nan 0.000 0.472 273 A N 0.186 123.100 122.820 0.156 0.000 1.933 273 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 273 A C 1.905 179.527 177.584 0.064 0.000 1.175 273 A CA 1.924 54.054 52.037 0.155 0.000 0.628 273 A CB -0.804 18.397 19.000 0.335 0.000 0.814 273 A HN 0.524 nan 8.150 nan 0.000 0.444 274 N N -0.405 118.329 118.700 0.057 0.000 2.416 274 N HA -0.021 4.719 4.740 -0.000 0.000 0.177 274 N C 0.983 176.475 175.510 -0.031 0.000 1.036 274 N CA 1.185 54.251 53.050 0.027 0.000 0.901 274 N CB 0.021 38.526 38.487 0.030 0.000 0.976 274 N HN 0.711 nan 8.380 nan 0.000 0.444 275 E N -1.100 119.048 120.200 -0.087 0.000 2.606 275 E HA 0.096 4.446 4.350 -0.000 0.000 0.224 275 E C 1.093 177.584 176.600 -0.181 0.000 0.930 275 E CA -0.008 56.331 56.400 -0.102 0.000 1.125 275 E CB 0.461 30.131 29.700 -0.050 0.000 1.123 275 E HN 0.205 nan 8.360 nan 0.000 0.522 276 S N -0.245 115.244 115.700 -0.352 0.000 2.436 276 S HA 0.101 4.571 4.470 -0.000 0.000 0.228 276 S C 1.745 176.175 174.600 -0.283 0.000 1.014 276 S CA 0.884 58.796 58.200 -0.479 0.000 0.950 276 S CB 0.302 62.763 63.200 -1.232 0.000 0.784 276 S HN 0.314 nan 8.310 nan 0.000 0.504 277 G N 1.127 109.801 108.800 -0.210 0.000 2.184 277 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.206 277 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.206 277 G C -0.129 174.716 174.900 -0.092 0.000 0.995 277 G CA 0.045 45.068 45.100 -0.128 0.000 0.651 277 G HN 0.960 nan 8.290 nan 0.000 0.511 278 M N -0.187 119.344 119.600 -0.116 0.000 2.631 278 M HA 0.838 5.318 4.480 -0.000 0.000 0.288 278 M C 0.230 176.528 176.300 -0.004 0.000 1.260 278 M CA -0.252 55.014 55.300 -0.056 0.000 0.842 278 M CB 1.911 34.506 32.600 -0.009 0.000 1.743 278 M HN 0.560 nan 8.290 nan 0.000 0.461 279 S N 1.265 116.979 115.700 0.023 0.000 2.647 279 S HA 0.899 5.369 4.470 -0.000 0.000 0.284 279 S C -0.437 174.283 174.600 0.201 0.000 1.134 279 S CA -0.834 57.423 58.200 0.094 0.000 1.027 279 S CB 1.042 64.290 63.200 0.080 0.000 1.180 279 S HN 0.761 nan 8.310 nan 0.000 0.521 280 L N -0.307 121.027 121.223 0.185 0.000 2.359 280 L HA 0.495 4.835 4.340 -0.000 0.000 0.256 280 L C -0.913 176.116 176.870 0.266 0.000 1.026 280 L CA -0.987 54.023 54.840 0.284 0.000 0.828 280 L CB 1.715 43.932 42.059 0.264 0.000 1.406 280 L HN 0.565 nan 8.230 nan 0.000 0.413 281 L N 1.495 122.966 121.223 0.413 0.000 2.462 281 L HA 0.042 4.382 4.340 -0.000 0.000 0.272 281 L C 0.135 177.257 176.870 0.420 0.000 1.166 281 L CA 0.121 55.185 54.840 0.373 0.000 0.880 281 L CB 0.301 42.572 42.059 0.354 0.000 1.142 281 L HN 0.529 nan 8.230 nan 0.000 0.473 282 D N 3.504 124.096 120.400 0.321 0.000 2.600 282 D HA 0.004 4.644 4.640 -0.000 0.000 0.226 282 D C 0.937 177.371 176.300 0.223 0.000 1.119 282 D CA 0.149 54.268 54.000 0.198 0.000 1.051 282 D CB 0.147 40.935 40.800 -0.021 0.000 1.106 282 D HN 0.292 nan 8.370 nan 0.000 0.491 283 F N 0.922 121.053 119.950 0.301 0.000 2.216 283 F HA -0.071 4.456 4.527 -0.000 0.000 0.300 283 F C 2.544 178.374 175.800 0.051 0.000 1.085 283 F CA 0.725 58.825 58.000 0.168 0.000 1.326 283 F CB -0.033 39.034 39.000 0.112 0.000 1.027 283 F HN 0.252 nan 8.300 nan 0.000 0.497 284 R N -0.386 120.291 120.500 0.296 0.000 2.105 284 R HA -0.232 4.108 4.340 -0.000 0.000 0.239 284 R C 2.275 178.685 176.300 0.184 0.000 1.135 284 R CA 1.720 57.955 56.100 0.225 0.000 0.967 284 R CB -0.623 29.855 30.300 0.297 0.000 0.861 284 R HN 0.318 nan 8.270 nan 0.000 0.442 285 F N 0.775 120.740 119.950 0.024 0.000 2.128 285 F HA 0.002 4.529 4.527 -0.000 0.000 0.295 285 F C 2.123 177.862 175.800 -0.102 0.000 1.100 285 F CA 1.383 59.376 58.000 -0.013 0.000 1.260 285 F CB -0.569 38.409 39.000 -0.037 0.000 1.009 285 F HN 0.087 nan 8.300 nan 0.000 0.476 286 A N 0.290 123.108 122.820 -0.003 0.000 1.883 286 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 286 A C 2.145 179.658 177.584 -0.119 0.000 1.186 286 A CA 1.766 53.623 52.037 -0.299 0.000 0.624 286 A CB -0.873 17.401 19.000 -1.210 0.000 0.822 286 A HN 0.528 nan 8.150 nan 0.000 0.444 287 Q N -0.568 119.202 119.800 -0.051 0.000 2.124 287 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 287 Q C 2.050 178.048 176.000 -0.004 0.000 0.977 287 Q CA 1.855 57.666 55.803 0.013 0.000 0.850 287 Q CB -0.343 28.418 28.738 0.039 0.000 0.901 287 Q HN 0.633 nan 8.270 nan 0.000 0.429 288 K N 0.701 121.079 120.400 -0.038 0.000 2.103 288 K HA -0.045 4.274 4.320 -0.000 0.000 0.204 288 K C 1.976 178.521 176.600 -0.091 0.000 1.052 288 K CA 0.673 56.918 56.287 -0.071 0.000 0.945 288 K CB -0.325 32.118 32.500 -0.094 0.000 0.722 288 K HN -0.027 nan 8.250 nan 0.000 0.443 289 V N 1.211 121.063 119.914 -0.104 0.000 2.343 289 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 289 V C 2.307 178.553 176.094 0.253 0.000 1.051 289 V CA 2.089 64.415 62.300 0.042 0.000 1.036 289 V CB -0.430 31.390 31.823 -0.005 0.000 0.654 289 V HN 0.320 nan 8.190 nan 0.000 0.451 290 R N -0.571 120.042 120.500 0.188 0.000 2.075 290 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 290 R C 2.422 178.743 176.300 0.035 0.000 1.126 290 R CA 1.415 57.609 56.100 0.156 0.000 0.963 290 R CB -0.337 30.008 30.300 0.076 0.000 0.858 290 R HN 0.590 nan 8.270 nan 0.000 0.435 291 Q N 0.087 119.887 119.800 0.001 0.000 2.096 291 Q HA -0.148 4.191 4.340 -0.000 0.000 0.204 291 Q C 2.169 178.119 176.000 -0.083 0.000 0.982 291 Q CA 1.689 57.467 55.803 -0.041 0.000 0.850 291 Q CB 0.033 28.744 28.738 -0.045 0.000 0.901 291 Q HN 0.200 nan 8.270 nan 0.000 0.422 292 V N -0.691 119.139 119.914 -0.140 0.000 2.446 292 V HA -0.142 3.978 4.120 -0.000 0.000 0.244 292 V C 1.463 177.315 176.094 -0.404 0.000 1.039 292 V CA 1.503 63.599 62.300 -0.340 0.000 1.045 292 V CB -0.283 31.189 31.823 -0.586 0.000 0.681 292 V HN 0.239 nan 8.190 nan 0.000 0.459 293 F N -0.713 119.243 119.950 0.008 0.000 2.678 293 F HA 0.269 4.796 4.527 -0.000 0.000 0.291 293 F C 2.328 178.209 175.800 0.135 0.000 1.123 293 F CA 0.575 58.643 58.000 0.114 0.000 1.395 293 F CB 0.036 39.170 39.000 0.224 0.000 1.121 293 F HN -0.098 nan 8.300 nan 0.000 0.592 294 R N 0.141 120.718 120.500 0.130 0.000 2.098 294 R HA 0.047 4.387 4.340 -0.000 0.000 0.203 294 R C 0.791 177.008 176.300 -0.138 0.000 1.166 294 R CA 0.979 56.956 56.100 -0.206 0.000 1.090 294 R CB 0.094 29.929 30.300 -0.775 0.000 0.992 294 R HN 0.018 nan 8.270 nan 0.000 0.477 295 D N 0.303 120.639 120.400 -0.107 0.000 2.349 295 D HA -0.009 4.630 4.640 -0.000 0.000 0.214 295 D C -0.283 175.985 176.300 -0.053 0.000 1.063 295 D CA 0.092 54.045 54.000 -0.078 0.000 0.847 295 D CB 0.055 40.814 40.800 -0.068 0.000 0.933 295 D HN 0.198 nan 8.370 nan 0.000 0.513 296 N N 1.067 119.734 118.700 -0.055 0.000 2.725 296 N HA -0.187 4.553 4.740 -0.000 0.000 0.251 296 N C 0.310 175.792 175.510 -0.048 0.000 1.031 296 N CA 1.165 54.182 53.050 -0.055 0.000 0.720 296 N CB -1.385 37.079 38.487 -0.039 0.000 0.930 296 N HN 0.247 nan 8.380 nan 0.000 0.543 297 T N -4.346 110.179 114.554 -0.050 0.000 3.092 297 T HA 0.314 4.664 4.350 -0.000 0.000 0.258 297 T C 0.088 174.765 174.700 -0.038 0.000 1.031 297 T CA 0.000 62.079 62.100 -0.036 0.000 0.925 297 T CB 0.648 69.501 68.868 -0.025 0.000 1.036 297 T HN 0.281 nan 8.240 nan 0.000 0.544 298 D N 0.845 121.210 120.400 -0.058 0.000 2.653 298 D HA 0.359 4.999 4.640 -0.000 0.000 0.258 298 D C -1.464 174.780 176.300 -0.093 0.000 1.252 298 D CA -0.526 53.440 54.000 -0.057 0.000 0.777 298 D CB 1.767 42.533 40.800 -0.056 0.000 1.339 298 D HN 0.285 nan 8.370 nan 0.000 0.422 299 N N -0.148 118.511 118.700 -0.068 0.000 2.906 299 N HA 0.286 5.026 4.740 -0.000 0.000 0.327 299 N C 0.977 176.384 175.510 -0.172 0.000 1.344 299 N CA -0.511 52.474 53.050 -0.109 0.000 0.823 299 N CB 0.235 38.717 38.487 -0.008 0.000 1.351 299 N HN 0.178 nan 8.380 nan 0.000 0.604 300 M N -0.894 118.552 119.600 -0.256 0.000 2.267 300 M HA -0.067 4.413 4.480 -0.000 0.000 0.263 300 M C 1.096 177.223 176.300 -0.288 0.000 1.063 300 M CA 1.459 56.565 55.300 -0.323 0.000 1.090 300 M CB -1.389 31.001 32.600 -0.351 0.000 1.392 300 M HN 0.524 nan 8.290 nan 0.000 0.422 301 Y N -0.016 120.243 120.300 -0.068 0.000 2.224 301 Y HA -0.069 4.481 4.550 -0.000 0.000 0.289 301 Y C 2.616 178.485 175.900 -0.050 0.000 1.146 301 Y CA 1.459 59.531 58.100 -0.047 0.000 1.182 301 Y CB -1.283 37.151 38.460 -0.043 0.000 0.983 301 Y HN 0.302 nan 8.280 nan 0.000 0.524 302 G N -0.617 108.218 108.800 0.059 0.000 2.403 302 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 302 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 302 G C 1.628 176.504 174.900 -0.040 0.000 1.154 302 G CA 0.710 45.815 45.100 0.008 0.000 0.784 302 G HN 0.315 nan 8.290 nan 0.000 0.538 303 L N 0.861 122.019 121.223 -0.109 0.000 2.017 303 L HA 0.074 4.414 4.340 -0.000 0.000 0.208 303 L C 2.701 179.535 176.870 -0.060 0.000 1.073 303 L CA 2.381 57.130 54.840 -0.151 0.000 0.745 303 L CB -0.467 41.420 42.059 -0.287 0.000 0.894 303 L HN 0.261 nan 8.230 nan 0.000 0.432 304 K N -0.708 119.670 120.400 -0.037 0.000 2.057 304 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 304 K C 1.978 178.604 176.600 0.042 0.000 1.049 304 K CA 1.429 57.727 56.287 0.018 0.000 0.931 304 K CB -0.274 32.244 32.500 0.030 0.000 0.714 304 K HN 0.402 nan 8.250 nan 0.000 0.440 305 A N 1.786 124.633 122.820 0.045 0.000 1.908 305 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 305 A C 2.167 179.780 177.584 0.047 0.000 1.181 305 A CA 1.705 53.771 52.037 0.048 0.000 0.627 305 A CB -0.618 18.411 19.000 0.047 0.000 0.818 305 A HN 0.510 nan 8.150 nan 0.000 0.445 306 M N -0.192 119.431 119.600 0.040 0.000 2.117 306 M HA -0.077 4.403 4.480 -0.000 0.000 0.262 306 M C 1.948 178.305 176.300 0.095 0.000 1.065 306 M CA 1.708 57.044 55.300 0.061 0.000 1.114 306 M CB -0.883 31.734 32.600 0.028 0.000 1.361 306 M HN 0.428 nan 8.290 nan 0.000 0.408 307 L N 0.004 121.278 121.223 0.086 0.000 2.056 307 L HA -0.213 4.127 4.340 -0.000 0.000 0.207 307 L C 2.363 179.287 176.870 0.091 0.000 1.078 307 L CA 1.420 56.324 54.840 0.107 0.000 0.749 307 L CB -0.640 41.469 42.059 0.083 0.000 0.901 307 L HN 0.349 nan 8.230 nan 0.000 0.433 308 E N -0.150 120.092 120.200 0.071 0.000 2.072 308 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 308 E C 2.232 178.859 176.600 0.044 0.000 0.982 308 E CA 1.004 57.439 56.400 0.058 0.000 0.803 308 E CB -0.283 29.448 29.700 0.052 0.000 0.755 308 E HN 0.543 nan 8.360 nan 0.000 0.453 309 G N 1.640 110.465 108.800 0.041 0.000 2.404 309 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.215 309 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.215 309 G C 1.806 176.697 174.900 -0.015 0.000 1.174 309 G CA 1.237 46.345 45.100 0.013 0.000 0.780 309 G HN 0.379 nan 8.290 nan 0.000 0.537 310 S N 1.220 116.955 115.700 0.059 0.000 2.383 310 S HA 0.157 4.627 4.470 -0.000 0.000 0.227 310 S C 2.561 177.249 174.600 0.145 0.000 1.026 310 S CA 1.406 59.688 58.200 0.137 0.000 0.981 310 S CB -0.436 62.946 63.200 0.304 0.000 0.818 310 S HN 0.579 nan 8.310 nan 0.000 0.472 311 A N 1.405 124.286 122.820 0.102 0.000 2.070 311 A HA 0.419 4.739 4.320 -0.000 0.000 0.220 311 A C 2.334 179.938 177.584 0.035 0.000 1.159 311 A CA 1.469 53.556 52.037 0.084 0.000 0.656 311 A CB -0.995 18.049 19.000 0.073 0.000 0.800 311 A HN 0.847 nan 8.150 nan 0.000 0.453 312 A N -0.728 122.086 122.820 -0.010 0.000 1.997 312 A HA 0.077 4.397 4.320 -0.000 0.000 0.212 312 A C 1.612 179.123 177.584 -0.122 0.000 1.178 312 A CA 1.136 53.145 52.037 -0.047 0.000 0.698 312 A CB -0.072 18.906 19.000 -0.038 0.000 0.842 312 A HN 0.357 nan 8.150 nan 0.000 0.458 313 D N -1.252 118.997 120.400 -0.252 0.000 2.194 313 D HA 0.025 4.665 4.640 -0.000 0.000 0.204 313 D C -0.460 175.500 176.300 -0.567 0.000 0.964 313 D CA 0.832 54.511 54.000 -0.535 0.000 0.846 313 D CB -0.095 40.036 40.800 -1.115 0.000 0.962 313 D HN 0.444 nan 8.370 nan 0.000 0.490 314 Y N 0.380 120.560 120.300 -0.201 0.000 2.367 314 Y HA 0.419 4.968 4.550 -0.000 0.000 0.342 314 Y C 1.250 177.111 175.900 -0.065 0.000 0.979 314 Y CA -0.864 57.172 58.100 -0.106 0.000 1.161 314 Y CB 1.517 39.943 38.460 -0.057 0.000 1.155 314 Y HN -0.172 nan 8.280 nan 0.000 0.503 315 A N 2.936 125.810 122.820 0.090 0.000 1.908 315 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 315 A C 0.788 178.379 177.584 0.011 0.000 1.181 315 A CA 1.419 53.469 52.037 0.022 0.000 0.627 315 A CB -0.243 18.765 19.000 0.013 0.000 0.818 315 A HN 0.765 nan 8.150 nan 0.000 0.445 316 Q N -1.122 118.727 119.800 0.081 0.000 2.788 316 Q HA 0.421 4.761 4.340 -0.000 0.000 0.261 316 Q C 0.415 176.483 176.000 0.114 0.000 1.029 316 Q CA -0.107 55.747 55.803 0.085 0.000 0.848 316 Q CB 1.227 30.048 28.738 0.137 0.000 1.185 316 Q HN 0.152 nan 8.270 nan 0.000 0.482 317 V N 1.460 121.438 119.914 0.106 0.000 2.490 317 V HA -0.239 3.881 4.120 -0.000 0.000 0.250 317 V C 0.884 176.999 176.094 0.035 0.000 1.061 317 V CA 2.100 64.440 62.300 0.067 0.000 1.064 317 V CB 0.156 32.043 31.823 0.107 0.000 0.670 317 V HN 0.725 nan 8.190 nan 0.000 0.461 318 D N -0.346 120.119 120.400 0.109 0.000 2.378 318 D HA -0.098 4.542 4.640 -0.000 0.000 0.222 318 D C 1.069 177.468 176.300 0.165 0.000 0.980 318 D CA 0.863 54.943 54.000 0.133 0.000 0.907 318 D CB 0.004 40.947 40.800 0.239 0.000 0.899 318 D HN 0.516 nan 8.370 nan 0.000 0.527 319 D N 0.335 120.856 120.400 0.201 0.000 2.349 319 D HA -0.002 4.638 4.640 -0.000 0.000 0.214 319 D C 0.499 176.919 176.300 0.201 0.000 1.063 319 D CA 0.204 54.396 54.000 0.320 0.000 0.847 319 D CB 0.452 41.501 40.800 0.414 0.000 0.933 319 D HN 0.070 nan 8.370 nan 0.000 0.513 320 Q N 0.694 120.493 119.800 -0.002 0.000 2.314 320 Q HA 0.196 4.536 4.340 -0.000 0.000 0.258 320 Q C -0.031 175.904 176.000 -0.109 0.000 0.954 320 Q CA -0.229 55.507 55.803 -0.111 0.000 0.890 320 Q CB 1.760 30.305 28.738 -0.321 0.000 1.210 320 Q HN -0.107 nan 8.270 nan 0.000 0.410 321 V N 3.571 123.422 119.914 -0.104 0.000 2.389 321 V HA 0.174 4.294 4.120 -0.000 0.000 0.264 321 V C 0.682 176.773 176.094 -0.004 0.000 1.049 321 V CA -0.439 61.776 62.300 -0.142 0.000 0.932 321 V CB 0.436 32.018 31.823 -0.401 0.000 1.011 321 V HN 0.865 nan 8.190 nan 0.000 0.475 322 T N 3.003 117.466 114.554 -0.150 0.000 2.899 322 T HA 0.819 5.168 4.350 -0.000 0.000 0.284 322 T C -0.595 174.176 174.700 0.118 0.000 1.004 322 T CA -0.413 61.527 62.100 -0.267 0.000 1.043 322 T CB 1.457 69.753 68.868 -0.953 0.000 1.013 322 T HN 0.736 nan 8.240 nan 0.000 0.518 323 F N -0.788 119.115 119.950 -0.077 0.000 2.842 323 F HA 0.521 5.048 4.527 -0.000 0.000 0.319 323 F C -0.121 175.753 175.800 0.124 0.000 1.159 323 F CA -1.398 56.607 58.000 0.008 0.000 0.902 323 F CB 0.565 39.563 39.000 -0.004 0.000 1.311 323 F HN 0.584 nan 8.300 nan 0.000 0.453 324 I N -1.606 119.047 120.570 0.138 0.000 4.288 324 I HA 0.480 4.650 4.170 -0.000 0.000 0.331 324 I C -0.914 175.377 176.117 0.289 0.000 1.322 324 I CA 0.127 61.491 61.300 0.107 0.000 1.149 324 I CB 0.657 38.635 38.000 -0.037 0.000 1.112 324 I HN 0.657 nan 8.210 nan 0.000 0.403 325 D N 0.620 121.262 120.400 0.403 0.000 2.725 325 D HA 0.370 5.010 4.640 -0.000 0.000 0.292 325 D C -1.016 175.412 176.300 0.213 0.000 1.288 325 D CA -0.605 53.604 54.000 0.348 0.000 0.784 325 D CB 0.692 41.652 40.800 0.267 0.000 1.308 325 D HN 0.265 nan 8.370 nan 0.000 0.429 326 N N -2.492 116.125 118.700 -0.139 0.000 3.517 326 N HA 0.135 4.875 4.740 -0.000 0.000 0.329 326 N C 0.649 175.689 175.510 -0.784 0.000 1.569 326 N CA -0.411 52.343 53.050 -0.493 0.000 0.852 326 N CB -0.271 38.138 38.487 -0.130 0.000 1.955 326 N HN 0.600 nan 8.380 nan 0.000 0.555 327 H N -1.714 117.147 119.070 -0.348 0.000 2.561 327 H HA 0.173 4.729 4.556 -0.000 0.000 0.278 327 H C -0.637 174.783 175.328 0.153 0.000 1.014 327 H CA 1.065 57.173 56.048 0.100 0.000 1.211 327 H CB -0.089 30.035 29.762 0.604 0.000 1.365 327 H HN 0.486 nan 8.280 nan 0.000 0.594 328 D N 0.090 120.286 120.400 -0.340 0.000 2.454 328 D HA 0.174 4.814 4.640 -0.000 0.000 0.214 328 D C 0.678 176.976 176.300 -0.003 0.000 1.088 328 D CA 0.054 53.962 54.000 -0.154 0.000 0.855 328 D CB 0.778 41.458 40.800 -0.200 0.000 1.025 328 D HN 0.317 nan 8.370 nan 0.000 0.502 329 M N 0.773 120.394 119.600 0.035 0.000 2.471 329 M HA 0.248 4.728 4.480 -0.000 0.000 0.309 329 M C 0.283 176.633 176.300 0.082 0.000 1.186 329 M CA -0.523 54.847 55.300 0.117 0.000 1.008 329 M CB 1.615 34.342 32.600 0.211 0.000 1.551 329 M HN -0.290 nan 8.290 nan 0.000 0.477 330 E N 1.235 121.490 120.200 0.092 0.000 2.392 330 E HA 0.106 4.456 4.350 -0.000 0.000 0.264 330 E C -0.607 176.059 176.600 0.109 0.000 1.024 330 E CA -0.033 56.415 56.400 0.080 0.000 0.903 330 E CB 0.538 30.269 29.700 0.052 0.000 0.963 330 E HN 0.408 nan 8.360 nan 0.000 0.432 331 R N 1.577 122.157 120.500 0.132 0.000 2.623 331 R HA -0.060 4.280 4.340 -0.000 0.000 0.271 331 R C 0.929 177.359 176.300 0.216 0.000 1.043 331 R CA -0.137 56.084 56.100 0.203 0.000 1.083 331 R CB 0.221 30.650 30.300 0.214 0.000 0.974 331 R HN 0.590 nan 8.270 nan 0.000 0.436 332 F N 2.052 122.091 119.950 0.149 0.000 2.091 332 F HA -0.225 4.302 4.527 -0.000 0.000 0.299 332 F C 1.270 177.174 175.800 0.174 0.000 1.103 332 F CA 1.674 59.762 58.000 0.147 0.000 1.228 332 F CB -0.297 38.790 39.000 0.145 0.000 0.984 332 F HN 0.536 nan 8.300 nan 0.000 0.477 333 H N 0.878 120.179 119.070 0.385 0.000 3.017 333 H HA 0.468 5.024 4.556 -0.000 0.000 0.276 333 H C -0.209 175.198 175.328 0.133 0.000 1.062 333 H CA -0.568 55.649 56.048 0.282 0.000 1.486 333 H CB 0.120 30.074 29.762 0.319 0.000 1.507 333 H HN 0.292 nan 8.280 nan 0.000 0.508 334 A N 3.796 126.430 122.820 -0.310 0.000 2.322 334 A HA 0.245 4.564 4.320 -0.000 0.000 0.269 334 A C 1.460 178.747 177.584 -0.494 0.000 1.094 334 A CA 0.060 51.921 52.037 -0.294 0.000 0.807 334 A CB 0.391 19.283 19.000 -0.181 0.000 1.047 334 A HN 0.910 nan 8.150 nan 0.000 0.487 335 S N 1.270 116.817 115.700 -0.255 0.000 2.372 335 S HA -0.194 4.276 4.470 -0.000 0.000 0.227 335 S C 1.592 176.102 174.600 -0.150 0.000 1.044 335 S CA 1.886 59.980 58.200 -0.176 0.000 1.050 335 S CB -0.369 62.788 63.200 -0.072 0.000 0.901 335 S HN 0.943 nan 8.310 nan 0.000 0.447 336 N N 1.388 120.017 118.700 -0.118 0.000 2.268 336 N HA 0.268 5.008 4.740 -0.000 0.000 0.204 336 N C -0.095 175.387 175.510 -0.048 0.000 1.124 336 N CA 0.126 53.139 53.050 -0.061 0.000 0.838 336 N CB -0.030 38.433 38.487 -0.040 0.000 0.994 336 N HN 0.300 nan 8.380 nan 0.000 0.489 337 A N 0.710 123.476 122.820 -0.090 0.000 2.293 337 A HA 0.277 4.596 4.320 -0.000 0.000 0.302 337 A C 0.245 177.908 177.584 0.132 0.000 1.119 337 A CA -0.683 51.356 52.037 0.004 0.000 0.823 337 A CB 0.437 19.428 19.000 -0.015 0.000 1.097 337 A HN 0.321 nan 8.150 nan 0.000 0.491 338 N N 0.429 119.204 118.700 0.125 0.000 2.483 338 N HA 0.019 4.759 4.740 -0.000 0.000 0.264 338 N C 0.921 176.544 175.510 0.188 0.000 1.197 338 N CA 0.086 53.211 53.050 0.124 0.000 0.927 338 N CB 0.553 39.095 38.487 0.092 0.000 1.065 338 N HN 0.625 nan 8.380 nan 0.000 0.461 339 R N 2.136 122.698 120.500 0.104 0.000 2.241 339 R HA -0.109 4.231 4.340 -0.000 0.000 0.224 339 R C 1.478 177.847 176.300 0.116 0.000 1.101 339 R CA 0.689 56.805 56.100 0.026 0.000 0.995 339 R CB 0.042 30.153 30.300 -0.315 0.000 0.870 339 R HN 0.451 nan 8.270 nan 0.000 0.463 340 R N 1.790 122.354 120.500 0.105 0.000 2.152 340 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 340 R C 1.419 177.806 176.300 0.145 0.000 1.117 340 R CA 1.545 57.709 56.100 0.106 0.000 0.981 340 R CB -0.073 30.280 30.300 0.089 0.000 0.870 340 R HN 0.105 nan 8.270 nan 0.000 0.451 341 K N -0.259 120.274 120.400 0.221 0.000 2.026 341 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 341 K C 1.890 178.675 176.600 0.307 0.000 1.048 341 K CA 1.570 58.055 56.287 0.329 0.000 0.929 341 K CB -0.382 32.358 32.500 0.399 0.000 0.713 341 K HN 0.120 nan 8.250 nan 0.000 0.439 342 L N 1.986 123.400 121.223 0.319 0.000 2.056 342 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 342 L C 1.751 178.542 176.870 -0.132 0.000 1.078 342 L CA 1.795 56.657 54.840 0.036 0.000 0.749 342 L CB -0.286 41.902 42.059 0.216 0.000 0.901 342 L HN 0.114 nan 8.230 nan 0.000 0.433 343 E N -0.874 119.325 120.200 -0.001 0.000 2.110 343 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 343 E C 2.172 178.707 176.600 -0.108 0.000 0.988 343 E CA 1.503 57.883 56.400 -0.034 0.000 0.804 343 E CB -0.134 29.592 29.700 0.043 0.000 0.745 343 E HN 0.660 nan 8.360 nan 0.000 0.458 344 Q N 0.029 119.753 119.800 -0.126 0.000 2.083 344 Q HA -0.060 4.280 4.340 -0.000 0.000 0.198 344 Q C 2.328 178.028 176.000 -0.501 0.000 0.969 344 Q CA 1.061 56.729 55.803 -0.225 0.000 0.838 344 Q CB -0.118 28.540 28.738 -0.133 0.000 0.900 344 Q HN 0.239 nan 8.270 nan 0.000 0.436 345 A N 0.876 123.292 122.820 -0.673 0.000 1.940 345 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 345 A C 2.008 179.370 177.584 -0.371 0.000 1.176 345 A CA 1.109 52.690 52.037 -0.761 0.000 0.631 345 A CB -0.465 17.972 19.000 -0.939 0.000 0.814 345 A HN 0.233 nan 8.150 nan 0.000 0.446 346 L N -0.507 120.527 121.223 -0.314 0.000 2.005 346 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 346 L C 2.947 179.747 176.870 -0.118 0.000 1.072 346 L CA 1.978 56.704 54.840 -0.189 0.000 0.744 346 L CB -1.161 40.793 42.059 -0.175 0.000 0.895 346 L HN 0.384 nan 8.230 nan 0.000 0.433 347 A N -1.297 121.457 122.820 -0.110 0.000 1.908 347 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 347 A C 2.292 179.883 177.584 0.012 0.000 1.181 347 A CA 1.888 53.887 52.037 -0.064 0.000 0.627 347 A CB -1.054 17.908 19.000 -0.063 0.000 0.818 347 A HN 0.433 nan 8.150 nan 0.000 0.445 348 F N 1.368 121.246 119.950 -0.120 0.000 2.075 348 F HA -0.159 4.368 4.527 -0.000 0.000 0.297 348 F C 2.512 178.359 175.800 0.080 0.000 1.113 348 F CA 2.392 60.395 58.000 0.004 0.000 1.218 348 F CB -0.848 38.055 39.000 -0.163 0.000 0.984 348 F HN 0.209 nan 8.300 nan 0.000 0.472 349 T N 1.687 116.266 114.554 0.041 0.000 2.684 349 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 349 T C 2.158 176.781 174.700 -0.129 0.000 1.036 349 T CA 1.879 63.990 62.100 0.019 0.000 1.148 349 T CB -0.649 68.270 68.868 0.086 0.000 0.863 349 T HN 0.256 nan 8.240 nan 0.000 0.436 350 L N 1.242 122.401 121.223 -0.108 0.000 2.191 350 L HA -0.070 4.270 4.340 -0.000 0.000 0.212 350 L C 2.588 179.380 176.870 -0.130 0.000 1.103 350 L CA 1.389 56.154 54.840 -0.125 0.000 0.769 350 L CB -0.777 41.213 42.059 -0.115 0.000 0.908 350 L HN 0.456 nan 8.230 nan 0.000 0.438 351 T N -5.829 108.659 114.554 -0.110 0.000 3.054 351 T HA 0.194 4.544 4.350 -0.000 0.000 0.255 351 T C 0.774 175.446 174.700 -0.048 0.000 1.035 351 T CA -0.297 61.764 62.100 -0.066 0.000 0.941 351 T CB 0.323 69.183 68.868 -0.013 0.000 1.026 351 T HN -0.006 nan 8.240 nan 0.000 0.533 352 S N 2.223 117.808 115.700 -0.192 0.000 2.707 352 S HA 0.582 5.052 4.470 -0.000 0.000 0.276 352 S C 0.404 174.891 174.600 -0.187 0.000 1.179 352 S CA -1.063 56.988 58.200 -0.248 0.000 0.992 352 S CB 0.876 63.801 63.200 -0.460 0.000 1.030 352 S HN 0.599 nan 8.310 nan 0.000 0.554 353 R N 0.615 121.033 120.500 -0.137 0.000 2.694 353 R HA 0.554 4.894 4.340 -0.000 0.000 0.268 353 R C 0.572 176.760 176.300 -0.187 0.000 1.061 353 R CA 0.597 56.633 56.100 -0.107 0.000 1.133 353 R CB -1.167 29.118 30.300 -0.025 0.000 1.020 353 R HN 0.940 nan 8.270 nan 0.000 0.475 354 G N 0.026 108.743 108.800 -0.139 0.000 2.416 354 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.203 354 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.203 354 G C -1.516 173.281 174.900 -0.173 0.000 1.227 354 G CA -0.321 44.683 45.100 -0.161 0.000 1.041 354 G HN 0.711 nan 8.290 nan 0.000 0.546 355 V N 2.171 121.972 119.914 -0.187 0.000 2.398 355 V HA 0.511 4.631 4.120 -0.000 0.000 0.282 355 V C -2.271 173.721 176.094 -0.169 0.000 1.014 355 V CA -1.052 61.143 62.300 -0.176 0.000 0.838 355 V CB 1.837 33.555 31.823 -0.176 0.000 1.018 355 V HN 0.593 nan 8.190 nan 0.000 0.432 356 P HA 0.394 nan 4.420 nan 0.000 0.271 356 P C -0.646 176.602 177.300 -0.087 0.000 1.216 356 P CA 0.111 63.127 63.100 -0.140 0.000 0.771 356 P CB 0.895 32.508 31.700 -0.145 0.000 0.864 357 A N 4.343 127.127 122.820 -0.059 0.000 2.411 357 A HA 0.547 4.867 4.320 -0.000 0.000 0.285 357 A C -0.544 176.966 177.584 -0.123 0.000 1.129 357 A CA -0.618 51.337 52.037 -0.137 0.000 0.736 357 A CB 0.357 19.255 19.000 -0.171 0.000 1.186 357 A HN 0.435 nan 8.150 nan 0.000 0.445 358 I N 2.920 123.396 120.570 -0.156 0.000 2.315 358 I HA 0.150 4.320 4.170 -0.000 0.000 0.291 358 I C -0.283 175.695 176.117 -0.233 0.000 1.006 358 I CA -0.645 60.589 61.300 -0.110 0.000 1.265 358 I CB 0.826 38.800 38.000 -0.043 0.000 1.387 358 I HN 0.710 nan 8.210 nan 0.000 0.475 359 Y N 8.808 128.964 120.300 -0.240 0.000 2.526 359 Y HA 0.009 4.559 4.550 -0.000 0.000 0.330 359 Y C 0.141 175.823 175.900 -0.363 0.000 1.156 359 Y CA -0.829 57.130 58.100 -0.235 0.000 1.419 359 Y CB 0.101 38.538 38.460 -0.039 0.000 1.250 359 Y HN 0.442 nan 8.280 nan 0.000 0.540 360 Y N 4.085 123.839 120.300 -0.911 0.000 2.811 360 Y HA 0.319 4.869 4.550 -0.000 0.000 0.334 360 Y C 1.103 176.787 175.900 -0.358 0.000 1.247 360 Y CA -0.400 57.227 58.100 -0.788 0.000 1.526 360 Y CB 0.018 38.165 38.460 -0.521 0.000 1.284 360 Y HN 0.929 nan 8.280 nan 0.000 0.586 361 G N 2.120 110.837 108.800 -0.139 0.000 2.225 361 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.254 361 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.254 361 G C 0.907 175.733 174.900 -0.123 0.000 0.988 361 G CA 0.477 45.477 45.100 -0.167 0.000 0.625 361 G HN 0.860 nan 8.290 nan 0.000 0.527 362 T N 1.814 116.291 114.554 -0.128 0.000 2.699 362 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 362 T C 2.093 176.706 174.700 -0.144 0.000 1.036 362 T CA 1.960 64.022 62.100 -0.064 0.000 1.147 362 T CB -0.273 68.579 68.868 -0.027 0.000 0.862 362 T HN 0.799 nan 8.240 nan 0.000 0.446 363 E N 1.074 121.224 120.200 -0.084 0.000 2.478 363 E HA -0.113 4.237 4.350 -0.000 0.000 0.198 363 E C 1.229 177.683 176.600 -0.243 0.000 1.046 363 E CA 0.711 57.013 56.400 -0.164 0.000 0.870 363 E CB -0.130 29.590 29.700 0.034 0.000 0.818 363 E HN 0.391 nan 8.360 nan 0.000 0.527 364 Q N -0.125 119.594 119.800 -0.135 0.000 2.198 364 Q HA 0.077 4.417 4.340 -0.000 0.000 0.209 364 Q C -0.568 175.441 176.000 0.015 0.000 0.848 364 Q CA -0.448 55.327 55.803 -0.047 0.000 0.974 364 Q CB -0.222 28.538 28.738 0.037 0.000 1.115 364 Q HN 0.302 nan 8.270 nan 0.000 0.494 365 Y N -1.365 118.942 120.300 0.012 0.000 3.589 365 Y HA -0.280 4.270 4.550 -0.000 0.000 0.218 365 Y C 0.348 176.327 175.900 0.131 0.000 1.234 365 Y CA 0.229 58.312 58.100 -0.028 0.000 1.576 365 Y CB -2.602 35.779 38.460 -0.132 0.000 1.487 365 Y HN 0.209 nan 8.280 nan 0.000 0.616 366 M N 0.013 119.717 119.600 0.173 0.000 2.248 366 M HA 0.254 4.734 4.480 -0.000 0.000 0.337 366 M C 0.660 177.085 176.300 0.207 0.000 1.121 366 M CA 0.875 56.258 55.300 0.138 0.000 1.155 366 M CB 0.609 33.210 32.600 0.002 0.000 1.514 366 M HN 0.244 nan 8.290 nan 0.000 0.452 367 S N 0.513 116.307 115.700 0.157 0.000 2.600 367 S HA 0.949 5.419 4.470 -0.000 0.000 0.300 367 S C -0.295 174.352 174.600 0.078 0.000 1.087 367 S CA -0.765 57.506 58.200 0.118 0.000 0.965 367 S CB 2.239 65.473 63.200 0.057 0.000 1.089 367 S HN 0.950 nan 8.310 nan 0.000 0.496 368 G N -0.187 108.653 108.800 0.068 0.000 2.402 368 G HA2 0.499 4.459 3.960 -0.000 0.000 0.301 368 G HA3 0.499 4.459 3.960 -0.000 0.000 0.301 368 G C -0.304 174.630 174.900 0.057 0.000 1.615 368 G CA -0.248 44.887 45.100 0.059 0.000 0.889 368 G HN 0.883 nan 8.290 nan 0.000 0.647 369 G N -0.460 108.366 108.800 0.043 0.000 2.485 369 G HA2 0.665 4.625 3.960 -0.000 0.000 0.260 369 G HA3 0.665 4.625 3.960 -0.000 0.000 0.260 369 G C 0.931 175.861 174.900 0.051 0.000 1.459 369 G CA 0.667 45.790 45.100 0.038 0.000 1.060 369 G HN 1.590 nan 8.290 nan 0.000 0.546 370 T N -1.625 112.954 114.554 0.042 0.000 2.766 370 T HA 0.238 4.588 4.350 -0.000 0.000 0.295 370 T C 0.267 174.998 174.700 0.052 0.000 1.024 370 T CA -0.023 62.103 62.100 0.044 0.000 1.018 370 T CB 0.816 69.700 68.868 0.026 0.000 1.002 370 T HN 0.505 nan 8.240 nan 0.000 0.532 371 D N 2.070 122.506 120.400 0.060 0.000 2.752 371 D HA -0.034 4.606 4.640 -0.000 0.000 0.225 371 D C -1.020 175.323 176.300 0.073 0.000 1.104 371 D CA -1.179 52.872 54.000 0.084 0.000 0.832 371 D CB 0.582 41.430 40.800 0.080 0.000 1.161 371 D HN 0.432 nan 8.370 nan 0.000 0.505 372 P HA 0.117 nan 4.420 nan 0.000 0.268 372 P C 0.100 177.431 177.300 0.052 0.000 1.329 372 P CA -0.152 63.004 63.100 0.093 0.000 0.899 372 P CB 0.523 32.276 31.700 0.088 0.000 1.378 373 D N 1.494 121.923 120.400 0.049 0.000 2.309 373 D HA -0.100 4.540 4.640 -0.000 0.000 0.212 373 D C 1.047 177.385 176.300 0.063 0.000 0.968 373 D CA 0.919 54.943 54.000 0.041 0.000 0.882 373 D CB -0.211 40.610 40.800 0.035 0.000 0.918 373 D HN 0.388 nan 8.370 nan 0.000 0.503 374 N N -0.003 118.755 118.700 0.096 0.000 2.322 374 N HA -0.026 4.714 4.740 -0.000 0.000 0.194 374 N C 0.504 176.144 175.510 0.216 0.000 1.126 374 N CA -0.020 53.127 53.050 0.161 0.000 0.845 374 N CB -0.015 38.575 38.487 0.172 0.000 0.976 374 N HN 0.043 nan 8.380 nan 0.000 0.475 375 R N 0.034 120.596 120.500 0.102 0.000 2.748 375 R HA 0.435 4.775 4.340 -0.000 0.000 0.395 375 R C -0.211 176.105 176.300 0.028 0.000 1.128 375 R CA -0.352 55.758 56.100 0.016 0.000 1.042 375 R CB 0.809 30.949 30.300 -0.268 0.000 1.392 375 R HN 0.138 nan 8.270 nan 0.000 0.582 376 A N 1.425 124.287 122.820 0.070 0.000 2.366 376 A HA 0.188 4.508 4.320 -0.000 0.000 0.249 376 A C 0.174 177.833 177.584 0.125 0.000 1.084 376 A CA -0.338 51.727 52.037 0.048 0.000 0.794 376 A CB 0.295 19.311 19.000 0.025 0.000 1.034 376 A HN 0.426 nan 8.150 nan 0.000 0.491 377 R N 1.141 121.683 120.500 0.071 0.000 2.537 377 R HA 0.182 4.522 4.340 -0.000 0.000 0.280 377 R C -0.018 176.336 176.300 0.089 0.000 1.058 377 R CA -0.201 55.956 56.100 0.094 0.000 1.057 377 R CB 0.104 30.415 30.300 0.019 0.000 0.973 377 R HN 0.705 nan 8.270 nan 0.000 0.438 378 I N 7.804 128.467 120.570 0.156 0.000 2.742 378 I HA -0.013 4.157 4.170 -0.000 0.000 0.287 378 I C -1.167 174.835 176.117 -0.192 0.000 1.186 378 I CA -1.384 59.929 61.300 0.021 0.000 1.417 378 I CB 1.153 39.200 38.000 0.077 0.000 1.377 378 I HN 0.735 nan 8.210 nan 0.000 0.556 379 P HA -0.048 nan 4.420 nan 0.000 0.223 379 P C -0.264 176.891 177.300 -0.243 0.000 1.151 379 P CA 0.757 63.764 63.100 -0.156 0.000 0.787 379 P CB 0.125 31.784 31.700 -0.069 0.000 0.788 380 S N -1.944 113.527 115.700 -0.382 0.000 2.615 380 S HA 0.468 4.938 4.470 -0.000 0.000 0.268 380 S C -1.093 173.143 174.600 -0.606 0.000 1.146 380 S CA -0.771 57.180 58.200 -0.415 0.000 0.818 380 S CB 0.119 63.229 63.200 -0.151 0.000 1.111 380 S HN -0.172 nan 8.310 nan 0.000 0.465 381 F N 1.525 121.361 119.950 -0.188 0.000 2.831 381 F HA 0.536 5.063 4.527 0.000 0.000 0.355 381 F C 0.936 176.726 175.800 -0.016 0.000 1.341 381 F CA -0.628 57.150 58.000 -0.369 0.000 1.201 381 F CB 0.870 39.517 39.000 -0.589 0.000 1.058 381 F HN 0.647 nan 8.300 nan 0.000 0.514 382 S N 0.266 116.061 115.700 0.158 0.000 2.545 382 S HA 0.239 4.709 4.470 -0.000 0.000 0.275 382 S C 1.292 175.804 174.600 -0.146 0.000 1.299 382 S CA 0.028 58.254 58.200 0.043 0.000 1.048 382 S CB 0.651 63.862 63.200 0.019 0.000 0.938 382 S HN 0.524 nan 8.310 nan 0.000 0.496 383 T N 1.339 115.642 114.554 -0.419 0.000 3.086 383 T HA 0.170 4.520 4.350 -0.000 0.000 0.250 383 T C 1.113 175.496 174.700 -0.529 0.000 1.074 383 T CA 0.045 61.445 62.100 -1.167 0.000 0.988 383 T CB 0.004 68.365 68.868 -0.846 0.000 0.988 383 T HN 0.394 nan 8.240 nan 0.000 0.530 384 S N 2.040 117.611 115.700 -0.215 0.000 2.575 384 S HA 0.126 4.596 4.470 -0.000 0.000 0.215 384 S C 1.145 175.762 174.600 0.029 0.000 0.966 384 S CA 0.075 58.238 58.200 -0.061 0.000 0.911 384 S CB -0.135 63.047 63.200 -0.029 0.000 0.780 384 S HN 0.884 nan 8.310 nan 0.000 0.514 385 T N -0.154 114.441 114.554 0.067 0.000 2.898 385 T HA 0.164 4.514 4.350 -0.000 0.000 0.301 385 T C 1.301 176.109 174.700 0.180 0.000 1.049 385 T CA -0.185 62.024 62.100 0.181 0.000 1.095 385 T CB 0.816 69.792 68.868 0.180 0.000 0.976 385 T HN -0.024 nan 8.240 nan 0.000 0.539 386 T N 1.825 116.519 114.554 0.234 0.000 2.788 386 T HA -0.027 4.323 4.350 -0.000 0.000 0.268 386 T C 2.389 177.162 174.700 0.122 0.000 1.044 386 T CA 1.313 63.515 62.100 0.171 0.000 1.139 386 T CB -0.757 68.219 68.868 0.179 0.000 0.867 386 T HN 0.819 nan 8.240 nan 0.000 0.454 387 A N 0.462 123.332 122.820 0.082 0.000 1.902 387 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 387 A C 2.072 179.628 177.584 -0.047 0.000 1.181 387 A CA 1.529 53.517 52.037 -0.083 0.000 0.623 387 A CB -1.025 17.731 19.000 -0.406 0.000 0.818 387 A HN 0.584 nan 8.150 nan 0.000 0.443 388 Y N 0.680 120.911 120.300 -0.116 0.000 2.181 388 Y HA -0.259 4.291 4.550 -0.000 0.000 0.288 388 Y C 2.527 178.377 175.900 -0.084 0.000 1.146 388 Y CA 2.372 60.413 58.100 -0.097 0.000 1.164 388 Y CB -0.358 38.064 38.460 -0.063 0.000 0.982 388 Y HN 0.462 nan 8.280 nan 0.000 0.515 389 Q N -1.088 118.823 119.800 0.185 0.000 2.167 389 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 389 Q C 2.311 178.304 176.000 -0.012 0.000 0.970 389 Q CA 1.591 57.453 55.803 0.098 0.000 0.855 389 Q CB -0.224 28.570 28.738 0.093 0.000 0.911 389 Q HN 0.369 nan 8.270 nan 0.000 0.438 390 V N 1.168 121.064 119.914 -0.030 0.000 2.295 390 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 390 V C 2.108 178.136 176.094 -0.110 0.000 1.049 390 V CA 1.689 63.950 62.300 -0.065 0.000 1.024 390 V CB -0.431 31.354 31.823 -0.063 0.000 0.648 390 V HN 0.358 nan 8.190 nan 0.000 0.447 391 I N -0.331 120.146 120.570 -0.156 0.000 2.226 391 I HA -0.302 3.867 4.170 -0.000 0.000 0.245 391 I C 2.637 178.624 176.117 -0.217 0.000 1.100 391 I CA 1.833 63.011 61.300 -0.203 0.000 1.374 391 I CB -0.475 37.362 38.000 -0.273 0.000 1.057 391 I HN 0.385 nan 8.210 nan 0.000 0.413 392 Q N 1.588 121.244 119.800 -0.239 0.000 2.096 392 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 392 Q C 2.075 178.003 176.000 -0.120 0.000 0.982 392 Q CA 1.767 57.456 55.803 -0.190 0.000 0.850 392 Q CB 0.107 28.778 28.738 -0.112 0.000 0.901 392 Q HN 0.466 nan 8.270 nan 0.000 0.422 393 K N -0.422 119.920 120.400 -0.096 0.000 2.186 393 K HA 0.007 4.327 4.320 -0.000 0.000 0.202 393 K C 1.981 178.524 176.600 -0.095 0.000 1.052 393 K CA 0.767 57.006 56.287 -0.080 0.000 0.965 393 K CB 0.236 32.697 32.500 -0.064 0.000 0.746 393 K HN 0.241 nan 8.250 nan 0.000 0.457 394 L N -0.117 121.040 121.223 -0.110 0.000 2.357 394 L HA 0.128 4.468 4.340 -0.000 0.000 0.211 394 L C 2.468 179.262 176.870 -0.126 0.000 1.075 394 L CA 0.284 55.055 54.840 -0.115 0.000 0.830 394 L CB -0.362 41.628 42.059 -0.115 0.000 0.996 394 L HN 0.076 nan 8.230 nan 0.000 0.467 395 A N 1.328 124.065 122.820 -0.138 0.000 1.892 395 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 395 A C -0.144 177.355 177.584 -0.142 0.000 1.188 395 A CA 1.878 53.827 52.037 -0.146 0.000 0.631 395 A CB -1.820 17.083 19.000 -0.163 0.000 0.822 395 A HN 0.259 nan 8.150 nan 0.000 0.447 396 P HA -0.088 nan 4.420 nan 0.000 0.222 396 P C 1.243 178.470 177.300 -0.122 0.000 1.147 396 P CA 0.649 63.676 63.100 -0.122 0.000 0.790 396 P CB -0.116 31.522 31.700 -0.104 0.000 0.780 397 L N -1.028 120.123 121.223 -0.120 0.000 2.201 397 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 397 L C 2.427 179.208 176.870 -0.148 0.000 1.105 397 L CA 1.251 56.021 54.840 -0.117 0.000 0.775 397 L CB -0.542 41.454 42.059 -0.106 0.000 0.913 397 L HN -0.031 nan 8.230 nan 0.000 0.440 398 R N -0.191 120.206 120.500 -0.172 0.000 2.193 398 R HA -0.108 4.232 4.340 -0.000 0.000 0.229 398 R C 2.078 178.225 176.300 -0.254 0.000 1.110 398 R CA 0.713 56.678 56.100 -0.225 0.000 0.988 398 R CB -0.038 30.126 30.300 -0.226 0.000 0.871 398 R HN 0.290 nan 8.270 nan 0.000 0.458 399 K N 0.040 120.320 120.400 -0.201 0.000 2.099 399 K HA 0.016 4.336 4.320 -0.000 0.000 0.203 399 K C 2.179 178.683 176.600 -0.159 0.000 1.047 399 K CA 1.430 57.604 56.287 -0.188 0.000 0.963 399 K CB -0.106 32.301 32.500 -0.156 0.000 0.759 399 K HN 0.136 nan 8.250 nan 0.000 0.451 400 S N 0.725 116.346 115.700 -0.132 0.000 2.436 400 S HA -0.007 4.463 4.470 -0.000 0.000 0.228 400 S C 0.852 175.392 174.600 -0.101 0.000 1.014 400 S CA 0.292 58.429 58.200 -0.105 0.000 0.950 400 S CB -0.083 63.066 63.200 -0.086 0.000 0.784 400 S HN 0.070 nan 8.310 nan 0.000 0.504 401 N N 2.095 120.726 118.700 -0.116 0.000 2.569 401 N HA 0.350 5.090 4.740 -0.000 0.000 0.254 401 N C -2.335 173.095 175.510 -0.133 0.000 1.004 401 N CA -2.166 50.829 53.050 -0.091 0.000 0.904 401 N CB 1.991 40.440 38.487 -0.064 0.000 1.165 401 N HN 0.018 nan 8.380 nan 0.000 0.513 402 P HA -0.111 nan 4.420 nan 0.000 0.223 402 P C 0.926 178.129 177.300 -0.161 0.000 1.144 402 P CA 0.666 63.637 63.100 -0.215 0.000 0.783 402 P CB 0.382 32.112 31.700 0.049 0.000 0.771 403 A N 0.362 123.199 122.820 0.029 0.000 1.933 403 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 403 A C 2.234 179.810 177.584 -0.013 0.000 1.175 403 A CA 1.256 53.354 52.037 0.102 0.000 0.628 403 A CB -1.132 17.940 19.000 0.121 0.000 0.814 403 A HN 0.062 nan 8.150 nan 0.000 0.444 404 I N -0.378 120.134 120.570 -0.097 0.000 2.286 404 I HA -0.154 4.016 4.170 -0.000 0.000 0.245 404 I C 2.844 178.826 176.117 -0.225 0.000 1.104 404 I CA 1.416 62.640 61.300 -0.127 0.000 1.397 404 I CB -1.517 36.399 38.000 -0.140 0.000 1.072 404 I HN 0.357 nan 8.210 nan 0.000 0.417 405 A N -0.155 122.419 122.820 -0.409 0.000 1.929 405 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 405 A C 1.618 178.856 177.584 -0.576 0.000 1.176 405 A CA 1.367 53.014 52.037 -0.651 0.000 0.628 405 A CB -0.426 17.897 19.000 -1.129 0.000 0.816 405 A HN 0.453 nan 8.150 nan 0.000 0.444 406 Y N -1.053 119.065 120.300 -0.303 0.000 2.563 406 Y HA 0.366 4.916 4.550 -0.000 0.000 0.250 406 Y C 1.450 177.285 175.900 -0.110 0.000 1.126 406 Y CA -1.001 56.900 58.100 -0.332 0.000 1.231 406 Y CB -0.674 37.254 38.460 -0.886 0.000 1.288 406 Y HN 0.207 nan 8.280 nan 0.000 0.537 407 G N 1.083 109.947 108.800 0.105 0.000 2.594 407 G HA2 0.342 4.302 3.960 -0.000 0.000 0.243 407 G HA3 0.342 4.302 3.960 -0.000 0.000 0.243 407 G C 0.367 175.378 174.900 0.185 0.000 1.229 407 G CA -0.047 45.190 45.100 0.229 0.000 0.843 407 G HN 0.248 nan 8.290 nan 0.000 0.578 408 S N -0.524 115.295 115.700 0.198 0.000 2.617 408 S HA 0.564 5.034 4.470 -0.000 0.000 0.259 408 S C 0.057 174.742 174.600 0.141 0.000 1.301 408 S CA -0.354 57.937 58.200 0.151 0.000 0.984 408 S CB 1.330 64.612 63.200 0.138 0.000 0.954 408 S HN 0.583 nan 8.310 nan 0.000 0.572 409 T N 1.453 116.083 114.554 0.127 0.000 2.841 409 T HA 0.538 4.888 4.350 -0.000 0.000 0.285 409 T C -0.950 173.835 174.700 0.142 0.000 0.991 409 T CA -0.545 61.641 62.100 0.143 0.000 0.966 409 T CB 1.335 70.263 68.868 0.101 0.000 0.962 409 T HN 0.706 nan 8.240 nan 0.000 0.438 410 Q N 2.299 122.205 119.800 0.177 0.000 2.305 410 Q HA 0.313 4.652 4.340 -0.000 0.000 0.271 410 Q C -1.020 175.099 176.000 0.199 0.000 1.046 410 Q CA -0.744 55.153 55.803 0.157 0.000 0.798 410 Q CB 1.708 30.523 28.738 0.129 0.000 1.286 410 Q HN 0.596 nan 8.270 nan 0.000 0.435 411 E N 3.796 124.100 120.200 0.173 0.000 2.344 411 E HA 0.073 4.423 4.350 -0.000 0.000 0.270 411 E C -0.360 176.345 176.600 0.175 0.000 1.021 411 E CA 0.248 56.764 56.400 0.193 0.000 0.887 411 E CB 0.686 30.468 29.700 0.137 0.000 0.997 411 E HN 0.742 nan 8.360 nan 0.000 0.429 412 R N 3.273 123.906 120.500 0.221 0.000 2.394 412 R HA 0.141 4.481 4.340 -0.000 0.000 0.220 412 R C -0.185 176.291 176.300 0.294 0.000 0.887 412 R CA -0.082 56.147 56.100 0.216 0.000 1.034 412 R CB 0.888 31.316 30.300 0.213 0.000 1.179 412 R HN 0.519 nan 8.270 nan 0.000 0.561 413 W N 0.561 121.917 121.300 0.094 0.000 3.479 413 W HA 0.578 5.238 4.660 -0.000 0.000 0.304 413 W C -1.753 174.791 176.519 0.042 0.000 1.243 413 W CA -0.569 56.815 57.345 0.065 0.000 1.202 413 W CB 1.409 30.911 29.460 0.070 0.000 1.346 413 W HN -0.168 nan 8.180 nan 0.000 0.539 414 I N 5.691 126.232 120.570 -0.049 0.000 2.771 414 I HA 0.397 4.567 4.170 -0.000 0.000 0.291 414 I C -1.643 174.328 176.117 -0.245 0.000 1.527 414 I CA -0.433 60.832 61.300 -0.057 0.000 1.024 414 I CB 1.483 39.392 38.000 -0.151 0.000 1.388 414 I HN 0.650 nan 8.210 nan 0.000 0.447 415 N N 3.714 122.306 118.700 -0.179 0.000 3.439 415 N HA 0.381 5.121 4.740 -0.000 0.000 0.313 415 N C -0.285 175.085 175.510 -0.233 0.000 1.598 415 N CA -0.665 52.318 53.050 -0.112 0.000 0.830 415 N CB 0.016 38.544 38.487 0.069 0.000 1.849 415 N HN 0.422 nan 8.380 nan 0.000 0.598 416 N N -0.191 118.519 118.700 0.017 0.000 2.061 416 N HA -0.125 4.615 4.740 -0.000 0.000 0.193 416 N C -0.121 175.337 175.510 -0.086 0.000 1.030 416 N CA 1.787 54.843 53.050 0.010 0.000 0.856 416 N CB -0.320 38.216 38.487 0.081 0.000 1.023 416 N HN 0.581 nan 8.380 nan 0.000 0.424 417 D N -0.610 119.767 120.400 -0.038 0.000 2.407 417 D HA 0.127 4.767 4.640 -0.000 0.000 0.208 417 D C -0.114 176.175 176.300 -0.019 0.000 1.083 417 D CA 0.119 54.092 54.000 -0.046 0.000 0.844 417 D CB 1.220 42.018 40.800 -0.003 0.000 0.967 417 D HN -0.050 nan 8.370 nan 0.000 0.506 418 V N 1.790 121.724 119.914 0.034 0.000 2.555 418 V HA 0.432 4.552 4.120 -0.000 0.000 0.302 418 V C -0.721 175.450 176.094 0.128 0.000 1.038 418 V CA -0.873 61.497 62.300 0.116 0.000 0.887 418 V CB 2.582 34.539 31.823 0.225 0.000 0.991 418 V HN -0.069 nan 8.190 nan 0.000 0.434 419 L N 6.349 127.673 121.223 0.168 0.000 2.439 419 L HA 0.668 5.008 4.340 -0.000 0.000 0.270 419 L C -1.040 176.031 176.870 0.335 0.000 0.972 419 L CA 0.066 55.042 54.840 0.227 0.000 0.836 419 L CB 1.597 43.766 42.059 0.182 0.000 1.255 419 L HN 0.570 nan 8.230 nan 0.000 0.404 420 I N 6.318 127.103 120.570 0.359 0.000 2.382 420 I HA 0.375 4.545 4.170 -0.000 0.000 0.286 420 I C -1.109 175.207 176.117 0.331 0.000 1.002 420 I CA -0.745 60.734 61.300 0.298 0.000 1.135 420 I CB 1.118 39.312 38.000 0.323 0.000 1.288 420 I HN 0.620 nan 8.210 nan 0.000 0.448 421 Y N 3.375 123.796 120.300 0.201 0.000 2.562 421 Y HA 0.747 5.297 4.550 -0.000 0.000 0.343 421 Y C -0.609 175.376 175.900 0.142 0.000 1.025 421 Y CA -1.377 56.825 58.100 0.170 0.000 1.082 421 Y CB 1.089 39.655 38.460 0.177 0.000 1.264 421 Y HN 0.498 nan 8.280 nan 0.000 0.478 422 E N 2.335 122.689 120.200 0.256 0.000 2.222 422 E HA 0.477 4.827 4.350 -0.000 0.000 0.267 422 E C -1.175 175.542 176.600 0.194 0.000 0.884 422 E CA -1.133 55.359 56.400 0.153 0.000 0.764 422 E CB 1.064 30.839 29.700 0.124 0.000 1.169 422 E HN 0.632 nan 8.360 nan 0.000 0.413 423 R N 3.363 123.953 120.500 0.150 0.000 2.460 423 R HA 0.452 4.792 4.340 -0.000 0.000 0.303 423 R C -0.721 175.662 176.300 0.138 0.000 0.968 423 R CA -0.629 55.561 56.100 0.150 0.000 0.889 423 R CB 1.493 31.865 30.300 0.120 0.000 1.123 423 R HN 0.526 nan 8.270 nan 0.000 0.455 424 K N 2.313 122.812 120.400 0.165 0.000 2.513 424 K HA 0.452 4.771 4.320 -0.000 0.000 0.251 424 K C -1.848 174.913 176.600 0.268 0.000 0.939 424 K CA -0.590 55.804 56.287 0.178 0.000 0.793 424 K CB 1.456 34.035 32.500 0.132 0.000 1.241 424 K HN 0.403 nan 8.250 nan 0.000 0.431 425 F N 4.039 124.038 119.950 0.081 0.000 2.730 425 F HA 0.422 4.949 4.527 -0.000 0.000 0.335 425 F C 0.252 176.092 175.800 0.066 0.000 1.212 425 F CA 0.716 58.769 58.000 0.088 0.000 1.016 425 F CB 1.295 40.368 39.000 0.122 0.000 1.290 425 F HN 0.851 nan 8.300 nan 0.000 0.495 426 G N 3.496 112.032 108.800 -0.440 0.000 2.583 426 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.292 426 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.292 426 G C 0.837 175.692 174.900 -0.075 0.000 1.203 426 G CA 0.290 45.197 45.100 -0.323 0.000 0.987 426 G HN 0.853 nan 8.290 nan 0.000 0.554 427 S N 1.902 117.591 115.700 -0.019 0.000 2.562 427 S HA 0.106 4.576 4.470 -0.000 0.000 0.221 427 S C 0.843 175.540 174.600 0.162 0.000 0.975 427 S CA 0.330 58.583 58.200 0.088 0.000 0.918 427 S CB -0.215 63.035 63.200 0.083 0.000 0.772 427 S HN 0.548 nan 8.310 nan 0.000 0.531 428 N N 1.827 120.596 118.700 0.115 0.000 2.499 428 N HA 0.371 5.111 4.740 -0.000 0.000 0.281 428 N C -0.814 174.806 175.510 0.182 0.000 1.098 428 N CA 0.087 53.216 53.050 0.132 0.000 0.979 428 N CB 1.709 40.270 38.487 0.122 0.000 1.121 428 N HN -0.054 nan 8.380 nan 0.000 0.466 429 V N 0.180 120.216 119.914 0.204 0.000 2.925 429 V HA 0.784 4.904 4.120 -0.000 0.000 0.311 429 V C -0.658 175.503 176.094 0.112 0.000 1.104 429 V CA -0.961 61.435 62.300 0.160 0.000 0.954 429 V CB 1.874 33.788 31.823 0.152 0.000 1.022 429 V HN 0.814 nan 8.190 nan 0.000 0.427 430 A N 3.008 125.869 122.820 0.069 0.000 2.427 430 A HA 0.881 5.201 4.320 -0.000 0.000 0.298 430 A C -1.396 176.186 177.584 -0.003 0.000 1.036 430 A CA -0.521 51.531 52.037 0.025 0.000 0.701 430 A CB 1.923 20.924 19.000 0.001 0.000 1.250 430 A HN 0.735 nan 8.150 nan 0.000 0.412 431 V N 2.585 122.494 119.914 -0.009 0.000 2.495 431 V HA 0.592 4.712 4.120 -0.000 0.000 0.298 431 V C -0.475 175.517 176.094 -0.170 0.000 1.031 431 V CA -0.517 61.777 62.300 -0.009 0.000 0.871 431 V CB 1.657 33.582 31.823 0.169 0.000 0.988 431 V HN 0.704 nan 8.190 nan 0.000 0.432 432 V N 3.601 123.254 119.914 -0.434 0.000 2.540 432 V HA 0.846 4.966 4.120 -0.000 0.000 0.302 432 V C 0.130 175.968 176.094 -0.427 0.000 1.035 432 V CA -0.565 61.371 62.300 -0.608 0.000 0.873 432 V CB 1.807 33.074 31.823 -0.927 0.000 0.992 432 V HN 0.984 nan 8.190 nan 0.000 0.428 433 A N 4.533 127.175 122.820 -0.297 0.000 2.318 433 A HA 0.903 5.223 4.320 -0.000 0.000 0.317 433 A C -0.973 176.618 177.584 0.012 0.000 1.159 433 A CA -0.543 51.475 52.037 -0.032 0.000 0.799 433 A CB 1.538 20.608 19.000 0.118 0.000 1.194 433 A HN 0.731 nan 8.150 nan 0.000 0.479 434 V N 2.832 122.828 119.914 0.136 0.000 2.577 434 V HA 0.407 4.527 4.120 -0.000 0.000 0.303 434 V C -0.698 175.490 176.094 0.157 0.000 1.042 434 V CA -0.792 61.611 62.300 0.172 0.000 0.872 434 V CB 1.952 33.959 31.823 0.307 0.000 0.998 434 V HN 0.888 nan 8.190 nan 0.000 0.423 435 N N 3.527 122.303 118.700 0.127 0.000 2.564 435 N HA 0.289 5.029 4.740 -0.000 0.000 0.248 435 N C 1.071 176.646 175.510 0.108 0.000 0.986 435 N CA -0.770 52.336 53.050 0.093 0.000 0.921 435 N CB 1.251 39.776 38.487 0.063 0.000 1.136 435 N HN 0.713 nan 8.380 nan 0.000 0.509 436 R N 2.071 122.626 120.500 0.091 0.000 2.189 436 R HA 0.030 4.370 4.340 -0.000 0.000 0.218 436 R C 0.188 176.527 176.300 0.065 0.000 1.074 436 R CA 0.370 56.530 56.100 0.100 0.000 0.991 436 R CB -0.174 30.088 30.300 -0.062 0.000 0.883 436 R HN 0.249 nan 8.270 nan 0.000 0.457 437 N N 1.609 120.333 118.700 0.040 0.000 2.416 437 N HA -0.040 4.700 4.740 -0.000 0.000 0.271 437 N C 0.112 175.650 175.510 0.046 0.000 1.245 437 N CA -0.023 53.048 53.050 0.034 0.000 0.940 437 N CB 0.896 39.399 38.487 0.027 0.000 1.175 437 N HN 0.147 nan 8.380 nan 0.000 0.483 438 L N 3.618 124.871 121.223 0.050 0.000 2.551 438 L HA 0.038 4.378 4.340 -0.000 0.000 0.228 438 L C 1.012 177.905 176.870 0.039 0.000 1.153 438 L CA 1.035 55.906 54.840 0.051 0.000 0.851 438 L CB -0.584 41.509 42.059 0.057 0.000 0.959 438 L HN 0.586 nan 8.230 nan 0.000 0.451 439 N N -1.348 117.371 118.700 0.032 0.000 2.210 439 N HA 0.322 5.062 4.740 -0.000 0.000 0.203 439 N C 0.281 175.806 175.510 0.025 0.000 1.175 439 N CA 0.256 53.321 53.050 0.026 0.000 0.894 439 N CB 0.850 39.350 38.487 0.022 0.000 1.041 439 N HN 0.145 nan 8.380 nan 0.000 0.506 440 A N 1.474 124.309 122.820 0.026 0.000 2.343 440 A HA 0.613 4.933 4.320 -0.000 0.000 0.308 440 A C -2.703 174.895 177.584 0.023 0.000 1.092 440 A CA -1.450 50.601 52.037 0.024 0.000 0.751 440 A CB 1.217 20.231 19.000 0.024 0.000 1.203 440 A HN -0.149 nan 8.150 nan 0.000 0.452 441 P HA 0.523 nan 4.420 nan 0.000 0.275 441 P C -0.431 176.864 177.300 -0.007 0.000 1.266 441 P CA -0.161 62.944 63.100 0.008 0.000 0.793 441 P CB 0.962 32.666 31.700 0.007 0.000 1.074 442 A N 0.193 122.985 122.820 -0.046 0.000 2.422 442 A HA 0.570 4.890 4.320 -0.000 0.000 0.302 442 A C -0.664 176.802 177.584 -0.197 0.000 1.041 442 A CA -0.421 51.565 52.037 -0.086 0.000 0.708 442 A CB 0.891 19.833 19.000 -0.097 0.000 1.257 442 A HN 0.318 nan 8.150 nan 0.000 0.414 443 S N 2.412 118.013 115.700 -0.165 0.000 2.416 443 S HA 0.378 4.848 4.470 -0.000 0.000 0.287 443 S C -0.083 174.264 174.600 -0.422 0.000 1.139 443 S CA -0.315 57.747 58.200 -0.230 0.000 1.058 443 S CB -0.052 63.098 63.200 -0.084 0.000 0.967 443 S HN 0.464 nan 8.310 nan 0.000 0.495 444 I N 4.512 124.603 120.570 -0.797 0.000 2.287 444 I HA 0.277 4.447 4.170 -0.000 0.000 0.290 444 I C 0.540 176.269 176.117 -0.648 0.000 1.069 444 I CA -0.208 60.383 61.300 -1.181 0.000 1.237 444 I CB -0.174 36.691 38.000 -1.892 0.000 1.418 444 I HN 0.560 nan 8.210 nan 0.000 0.481 445 S N 2.562 118.172 115.700 -0.150 0.000 2.568 445 S HA 0.803 5.273 4.470 -0.000 0.000 0.293 445 S C 0.617 175.375 174.600 0.264 0.000 1.089 445 S CA -0.097 58.127 58.200 0.040 0.000 0.945 445 S CB 2.262 65.495 63.200 0.055 0.000 1.077 445 S HN 1.079 nan 8.310 nan 0.000 0.485 446 G N -0.009 108.900 108.800 0.182 0.000 2.143 446 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.249 446 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.249 446 G C -0.218 174.840 174.900 0.263 0.000 0.981 446 G CA 0.181 45.402 45.100 0.201 0.000 0.665 446 G HN 1.213 nan 8.290 nan 0.000 0.528 447 L N 1.308 122.695 121.223 0.274 0.000 2.410 447 L HA 0.644 4.984 4.340 -0.000 0.000 0.273 447 L C 0.200 177.167 176.870 0.162 0.000 1.144 447 L CA -0.358 54.656 54.840 0.291 0.000 0.863 447 L CB 1.362 43.548 42.059 0.211 0.000 1.140 447 L HN 0.092 nan 8.230 nan 0.000 0.463 448 V N 4.863 124.866 119.914 0.149 0.000 2.495 448 V HA 0.748 4.868 4.120 -0.000 0.000 0.298 448 V C 0.248 176.386 176.094 0.073 0.000 1.031 448 V CA 0.029 62.379 62.300 0.084 0.000 0.871 448 V CB 1.794 33.660 31.823 0.071 0.000 0.988 448 V HN 0.999 nan 8.190 nan 0.000 0.432 449 T N 0.382 114.953 114.554 0.028 0.000 2.716 449 T HA 0.385 4.735 4.350 -0.000 0.000 0.286 449 T C 0.405 175.099 174.700 -0.010 0.000 1.052 449 T CA -0.372 61.736 62.100 0.013 0.000 1.024 449 T CB 1.910 70.760 68.868 -0.030 0.000 1.349 449 T HN 0.287 nan 8.240 nan 0.000 0.525 450 S N -0.116 115.576 115.700 -0.014 0.000 2.577 450 S HA 0.333 4.803 4.470 -0.000 0.000 0.219 450 S C 0.551 175.106 174.600 -0.075 0.000 0.962 450 S CA -0.475 57.713 58.200 -0.020 0.000 0.921 450 S CB -0.631 62.580 63.200 0.019 0.000 0.789 450 S HN 0.457 nan 8.310 nan 0.000 0.497 451 L N 2.977 124.120 121.223 -0.134 0.000 2.410 451 L HA 0.228 4.568 4.340 -0.000 0.000 0.273 451 L C -2.294 174.459 176.870 -0.195 0.000 1.152 451 L CA -1.790 52.901 54.840 -0.248 0.000 0.855 451 L CB 0.043 41.811 42.059 -0.485 0.000 1.129 451 L HN -0.051 nan 8.230 nan 0.000 0.463 452 P HA -0.016 nan 4.420 nan 0.000 0.270 452 P C -0.811 176.478 177.300 -0.018 0.000 1.223 452 P CA -0.439 62.538 63.100 -0.205 0.000 0.785 452 P CB 0.406 31.847 31.700 -0.432 0.000 0.923 453 Q N 0.725 120.506 119.800 -0.031 0.000 2.349 453 Q HA 0.372 4.712 4.340 -0.000 0.000 0.287 453 Q C 0.160 176.154 176.000 -0.010 0.000 1.044 453 Q CA 0.810 56.611 55.803 -0.002 0.000 0.918 453 Q CB -0.268 28.456 28.738 -0.025 0.000 1.242 453 Q HN 0.715 nan 8.270 nan 0.000 0.405 454 G N 1.323 110.118 108.800 -0.008 0.000 2.369 454 G HA2 0.058 4.018 3.960 -0.000 0.000 0.293 454 G HA3 0.058 4.018 3.960 -0.000 0.000 0.293 454 G C -1.645 173.152 174.900 -0.172 0.000 1.301 454 G CA -0.302 44.710 45.100 -0.146 0.000 0.913 454 G HN 0.569 nan 8.290 nan 0.000 0.540 455 S N -0.703 114.814 115.700 -0.305 0.000 2.437 455 S HA 0.773 5.243 4.470 -0.000 0.000 0.305 455 S C -1.256 173.120 174.600 -0.374 0.000 1.109 455 S CA -0.534 57.534 58.200 -0.221 0.000 1.099 455 S CB 0.466 63.578 63.200 -0.146 0.000 1.004 455 S HN 0.567 nan 8.310 nan 0.000 0.475 456 Y N 3.532 123.757 120.300 -0.125 0.000 2.341 456 Y HA 0.439 4.989 4.550 -0.000 0.000 0.338 456 Y C 0.641 176.591 175.900 0.084 0.000 0.965 456 Y CA -1.122 56.967 58.100 -0.018 0.000 1.108 456 Y CB 1.089 39.544 38.460 -0.010 0.000 1.180 456 Y HN 0.569 nan 8.280 nan 0.000 0.458 457 N N 1.843 120.687 118.700 0.239 0.000 2.525 457 N HA 0.004 4.744 4.740 -0.000 0.000 0.271 457 N C -0.785 174.906 175.510 0.302 0.000 1.194 457 N CA -0.308 52.870 53.050 0.214 0.000 0.964 457 N CB 0.864 39.412 38.487 0.102 0.000 1.126 457 N HN 0.690 nan 8.380 nan 0.000 0.452 458 D N 0.969 121.502 120.400 0.221 0.000 2.401 458 D HA 0.001 4.641 4.640 -0.000 0.000 0.254 458 D C 1.055 177.335 176.300 -0.032 0.000 1.192 458 D CA -0.198 53.806 54.000 0.006 0.000 0.885 458 D CB 0.779 41.561 40.800 -0.029 0.000 1.147 458 D HN 0.136 nan 8.370 nan 0.000 0.478 459 V N 4.411 124.272 119.914 -0.090 0.000 2.568 459 V HA -0.214 3.906 4.120 -0.000 0.000 0.253 459 V C 2.185 178.236 176.094 -0.071 0.000 1.072 459 V CA 1.293 63.556 62.300 -0.063 0.000 1.084 459 V CB -0.523 31.250 31.823 -0.083 0.000 0.676 459 V HN 0.650 nan 8.190 nan 0.000 0.469 460 L N 0.437 121.599 121.223 -0.102 0.000 2.610 460 L HA 0.215 4.555 4.340 -0.000 0.000 0.232 460 L C 1.753 178.597 176.870 -0.043 0.000 1.149 460 L CA 0.758 55.551 54.840 -0.078 0.000 0.872 460 L CB -0.721 41.279 42.059 -0.099 0.000 0.992 460 L HN 0.529 nan 8.230 nan 0.000 0.447 461 G N 0.278 109.060 108.800 -0.030 0.000 2.283 461 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.280 461 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.280 461 G C 1.021 175.920 174.900 -0.000 0.000 1.029 461 G CA 0.425 45.521 45.100 -0.006 0.000 0.840 461 G HN 0.673 nan 8.290 nan 0.000 0.505 462 G N -1.722 107.074 108.800 -0.006 0.000 2.184 462 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.264 462 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.264 462 G C 1.259 176.161 174.900 0.002 0.000 0.975 462 G CA 1.103 46.206 45.100 0.005 0.000 0.642 462 G HN 1.647 nan 8.290 nan 0.000 0.536 463 L N -0.012 121.208 121.223 -0.005 0.000 2.081 463 L HA 0.139 4.479 4.340 -0.000 0.000 0.212 463 L C 1.946 178.819 176.870 0.006 0.000 1.080 463 L CA 2.272 57.114 54.840 0.003 0.000 0.754 463 L CB -0.114 41.945 42.059 -0.001 0.000 0.893 463 L HN 0.424 nan 8.230 nan 0.000 0.433 464 L N -0.093 121.126 121.223 -0.007 0.000 3.094 464 L HA 0.259 4.599 4.340 -0.000 0.000 0.254 464 L C 0.213 177.088 176.870 0.007 0.000 1.298 464 L CA -0.171 54.669 54.840 0.001 0.000 1.050 464 L CB -0.634 41.417 42.059 -0.013 0.000 1.420 464 L HN 0.317 nan 8.230 nan 0.000 0.548 465 N N -0.432 118.276 118.700 0.015 0.000 2.741 465 N HA -0.174 4.566 4.740 -0.000 0.000 0.250 465 N C 0.725 176.256 175.510 0.036 0.000 1.115 465 N CA 0.779 53.846 53.050 0.029 0.000 0.724 465 N CB -0.970 37.539 38.487 0.037 0.000 1.090 465 N HN 0.624 nan 8.380 nan 0.000 0.558 466 G N 0.014 108.821 108.800 0.011 0.000 2.653 466 G HA2 0.446 4.406 3.960 -0.000 0.000 0.265 466 G HA3 0.446 4.406 3.960 -0.000 0.000 0.265 466 G C 0.180 175.127 174.900 0.078 0.000 1.237 466 G CA -0.032 45.075 45.100 0.010 0.000 0.946 466 G HN 0.436 nan 8.290 nan 0.000 0.522 467 N N -1.893 116.905 118.700 0.164 0.000 2.774 467 N HA 0.292 5.032 4.740 -0.000 0.000 0.264 467 N C -1.001 174.679 175.510 0.283 0.000 1.415 467 N CA -0.612 52.543 53.050 0.175 0.000 0.815 467 N CB 1.184 39.757 38.487 0.144 0.000 1.514 467 N HN 0.326 nan 8.380 nan 0.000 0.523 468 T N 0.831 115.457 114.554 0.121 0.000 2.913 468 T HA 0.319 4.669 4.350 -0.000 0.000 0.297 468 T C -0.104 174.435 174.700 -0.268 0.000 1.029 468 T CA -0.206 61.927 62.100 0.056 0.000 1.104 468 T CB 0.370 69.238 68.868 0.001 0.000 0.964 468 T HN 0.377 nan 8.240 nan 0.000 0.532 469 L N 2.392 123.281 121.223 -0.557 0.000 2.329 469 L HA 0.557 4.897 4.340 -0.000 0.000 0.279 469 L C -0.446 176.166 176.870 -0.430 0.000 1.014 469 L CA -0.046 54.225 54.840 -0.947 0.000 0.814 469 L CB 1.923 42.835 42.059 -1.911 0.000 1.257 469 L HN 0.539 nan 8.230 nan 0.000 0.424 470 S N 3.752 119.251 115.700 -0.335 0.000 2.474 470 S HA 0.629 5.099 4.470 -0.000 0.000 0.321 470 S C -0.733 173.794 174.600 -0.121 0.000 1.080 470 S CA -0.548 57.559 58.200 -0.155 0.000 1.106 470 S CB 1.275 64.411 63.200 -0.107 0.000 0.984 470 S HN 0.381 nan 8.310 nan 0.000 0.464 471 V N 3.429 123.316 119.914 -0.044 0.000 2.398 471 V HA 0.662 4.782 4.120 -0.000 0.000 0.286 471 V C 0.975 177.061 176.094 -0.013 0.000 1.026 471 V CA -0.462 61.820 62.300 -0.030 0.000 0.868 471 V CB 1.382 33.211 31.823 0.009 0.000 0.982 471 V HN 0.907 nan 8.190 nan 0.000 0.443 472 G N 3.147 111.935 108.800 -0.019 0.000 2.574 472 G HA2 0.476 4.436 3.960 -0.000 0.000 0.248 472 G HA3 0.476 4.436 3.960 -0.000 0.000 0.248 472 G C 0.280 175.172 174.900 -0.014 0.000 1.422 472 G CA 0.015 45.106 45.100 -0.015 0.000 1.051 472 G HN 0.855 nan 8.290 nan 0.000 0.560 473 S N -1.775 113.918 115.700 -0.012 0.000 2.593 473 S HA 0.425 4.895 4.470 -0.000 0.000 0.269 473 S C 1.381 175.975 174.600 -0.009 0.000 1.334 473 S CA 0.666 58.859 58.200 -0.012 0.000 1.015 473 S CB 0.912 64.107 63.200 -0.009 0.000 0.912 473 S HN 2.379 nan 8.310 nan 0.000 0.541 474 G N 0.764 109.557 108.800 -0.011 0.000 2.189 474 G HA2 0.049 4.009 3.960 -0.000 0.000 0.267 474 G HA3 0.049 4.009 3.960 -0.000 0.000 0.267 474 G C 1.219 176.114 174.900 -0.009 0.000 0.975 474 G CA 0.608 45.704 45.100 -0.006 0.000 0.644 474 G HN 2.446 nan 8.290 nan 0.000 0.537 475 G N -1.317 107.472 108.800 -0.020 0.000 2.148 475 G HA2 0.178 4.138 3.960 -0.000 0.000 0.254 475 G HA3 0.178 4.138 3.960 -0.000 0.000 0.254 475 G C 0.687 175.575 174.900 -0.019 0.000 0.981 475 G CA 1.172 46.254 45.100 -0.030 0.000 0.670 475 G HN 2.323 nan 8.290 nan 0.000 0.528 476 A N 0.018 122.835 122.820 -0.006 0.000 2.404 476 A HA 0.816 5.136 4.320 -0.000 0.000 0.273 476 A C 0.825 178.407 177.584 -0.003 0.000 1.144 476 A CA 0.916 52.959 52.037 0.010 0.000 0.806 476 A CB 0.535 19.545 19.000 0.018 0.000 1.080 476 A HN 2.041 nan 8.150 nan 0.000 0.509 477 A N 3.079 125.902 122.820 0.006 0.000 2.327 477 A HA 0.597 4.916 4.320 -0.000 0.000 0.283 477 A C 0.742 178.347 177.584 0.035 0.000 1.127 477 A CA -0.318 51.709 52.037 -0.017 0.000 0.810 477 A CB 0.162 19.145 19.000 -0.028 0.000 1.066 477 A HN 0.874 nan 8.150 nan 0.000 0.492 478 S N 1.355 117.065 115.700 0.016 0.000 2.572 478 S HA 0.070 4.540 4.470 -0.000 0.000 0.279 478 S C 0.496 175.173 174.600 0.128 0.000 1.341 478 S CA -0.324 57.903 58.200 0.045 0.000 1.043 478 S CB 0.059 63.267 63.200 0.013 0.000 0.887 478 S HN 0.781 nan 8.310 nan 0.000 0.516 479 N N 1.517 120.264 118.700 0.078 0.000 2.356 479 N HA 0.274 5.014 4.740 -0.000 0.000 0.252 479 N C -0.595 174.993 175.510 0.130 0.000 1.241 479 N CA 0.448 53.522 53.050 0.040 0.000 0.861 479 N CB 0.071 38.558 38.487 0.001 0.000 1.075 479 N HN 0.519 nan 8.380 nan 0.000 0.461 480 F N -1.804 118.087 119.950 -0.097 0.000 2.686 480 F HA 0.481 5.008 4.527 -0.000 0.000 0.311 480 F C -0.852 174.898 175.800 -0.085 0.000 1.128 480 F CA -1.148 56.801 58.000 -0.084 0.000 0.946 480 F CB 0.932 39.873 39.000 -0.098 0.000 1.336 480 F HN 0.036 nan 8.300 nan 0.000 0.457 481 T N 3.233 117.842 114.554 0.092 0.000 2.767 481 T HA 0.491 4.841 4.350 -0.000 0.000 0.288 481 T C -0.979 173.792 174.700 0.119 0.000 0.963 481 T CA -0.274 61.818 62.100 -0.014 0.000 1.019 481 T CB 1.075 69.959 68.868 0.027 0.000 0.923 481 T HN 0.675 nan 8.240 nan 0.000 0.468 482 L N 4.639 125.849 121.223 -0.021 0.000 2.255 482 L HA 0.660 5.000 4.340 -0.000 0.000 0.289 482 L C 0.499 177.402 176.870 0.055 0.000 1.046 482 L CA -0.442 54.460 54.840 0.103 0.000 0.816 482 L CB -0.260 41.808 42.059 0.016 0.000 1.197 482 L HN 0.765 nan 8.230 nan 0.000 0.427 483 A N 4.531 127.402 122.820 0.085 0.000 2.492 483 A HA 0.530 4.850 4.320 -0.000 0.000 0.236 483 A C 0.607 178.220 177.584 0.048 0.000 1.078 483 A CA 0.168 52.239 52.037 0.058 0.000 0.773 483 A CB -0.145 18.892 19.000 0.061 0.000 1.023 483 A HN 1.168 nan 8.150 nan 0.000 0.504 484 A N 0.470 123.314 122.820 0.040 0.000 2.546 484 A HA 0.469 4.789 4.320 -0.000 0.000 0.243 484 A C 1.675 179.289 177.584 0.050 0.000 1.063 484 A CA 0.779 52.841 52.037 0.041 0.000 0.757 484 A CB -0.986 18.035 19.000 0.035 0.000 0.991 484 A HN 2.779 nan 8.150 nan 0.000 0.503 485 G N 1.845 110.681 108.800 0.060 0.000 2.166 485 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.260 485 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.260 485 G C 0.857 175.797 174.900 0.067 0.000 0.986 485 G CA 0.772 45.916 45.100 0.073 0.000 0.683 485 G HN 1.979 nan 8.290 nan 0.000 0.527 486 G N -0.661 108.177 108.800 0.062 0.000 2.441 486 G HA2 0.547 4.507 3.960 -0.000 0.000 0.243 486 G HA3 0.547 4.507 3.960 -0.000 0.000 0.243 486 G C -0.119 174.806 174.900 0.043 0.000 1.281 486 G CA 0.867 45.999 45.100 0.055 0.000 0.854 486 G HN 0.711 nan 8.290 nan 0.000 0.560 487 T N 0.484 115.038 114.554 -0.001 0.000 3.011 487 T HA 0.650 5.000 4.350 -0.000 0.000 0.303 487 T C -0.263 174.339 174.700 -0.163 0.000 0.997 487 T CA -0.038 62.030 62.100 -0.053 0.000 1.007 487 T CB 1.649 70.496 68.868 -0.034 0.000 1.017 487 T HN 1.054 nan 8.240 nan 0.000 0.443 488 A N 2.466 125.085 122.820 -0.336 0.000 2.498 488 A HA 0.925 5.244 4.320 -0.000 0.000 0.298 488 A C -1.273 175.743 177.584 -0.946 0.000 1.075 488 A CA -0.735 50.911 52.037 -0.652 0.000 0.714 488 A CB 1.678 20.184 19.000 -0.823 0.000 1.299 488 A HN 0.653 nan 8.150 nan 0.000 0.407 489 V N 2.050 121.394 119.914 -0.950 0.000 2.525 489 V HA 0.498 4.618 4.120 -0.000 0.000 0.299 489 V C -1.287 174.398 176.094 -0.681 0.000 1.034 489 V CA -0.493 61.372 62.300 -0.725 0.000 0.863 489 V CB 1.374 32.981 31.823 -0.360 0.000 0.999 489 V HN 0.818 nan 8.190 nan 0.000 0.423 490 W N 4.179 125.416 121.300 -0.104 0.000 2.632 490 W HA 0.767 5.427 4.660 -0.000 0.000 0.328 490 W C -0.238 176.224 176.519 -0.094 0.000 1.044 490 W CA -0.736 56.557 57.345 -0.088 0.000 1.225 490 W CB 2.137 31.489 29.460 -0.181 0.000 1.396 490 W HN 0.708 nan 8.180 nan 0.000 0.499 491 Q N 1.350 121.275 119.800 0.208 0.000 2.501 491 Q HA 0.700 5.040 4.340 -0.000 0.000 0.288 491 Q C -2.095 174.092 176.000 0.312 0.000 1.051 491 Q CA -1.034 54.865 55.803 0.160 0.000 0.788 491 Q CB 3.181 31.968 28.738 0.082 0.000 1.469 491 Q HN 0.333 nan 8.270 nan 0.000 0.416 492 Y N 0.374 120.740 120.300 0.110 0.000 2.441 492 Y HA 0.689 5.239 4.550 -0.000 0.000 0.334 492 Y C -1.672 174.281 175.900 0.088 0.000 1.061 492 Y CA -0.170 58.024 58.100 0.156 0.000 1.032 492 Y CB 2.306 40.878 38.460 0.188 0.000 1.266 492 Y HN 0.981 nan 8.280 nan 0.000 0.441 493 T N 2.486 116.689 114.554 -0.585 0.000 2.893 493 T HA 1.005 5.355 4.350 -0.000 0.000 0.291 493 T C -0.833 173.437 174.700 -0.717 0.000 1.028 493 T CA -0.342 61.463 62.100 -0.492 0.000 0.995 493 T CB 1.756 70.494 68.868 -0.218 0.000 1.051 493 T HN 1.329 nan 8.240 nan 0.000 0.470 494 A N 1.170 123.732 122.820 -0.429 0.000 2.601 494 A HA 0.896 5.216 4.320 -0.000 0.000 0.291 494 A C -0.236 177.283 177.584 -0.107 0.000 1.075 494 A CA -0.726 51.152 52.037 -0.264 0.000 0.671 494 A CB 0.658 19.532 19.000 -0.211 0.000 1.277 494 A HN 1.707 nan 8.150 nan 0.000 0.417 495 A N 0.416 123.201 122.820 -0.059 0.000 2.498 495 A HA 0.553 4.873 4.320 -0.000 0.000 0.239 495 A C 0.391 177.960 177.584 -0.025 0.000 1.068 495 A CA 0.718 52.733 52.037 -0.035 0.000 0.766 495 A CB -0.373 18.616 19.000 -0.019 0.000 1.003 495 A HN 1.031 nan 8.150 nan 0.000 0.497 496 T N 2.342 116.872 114.554 -0.039 0.000 2.756 496 T HA 0.460 4.810 4.350 -0.000 0.000 0.290 496 T C 1.304 175.981 174.700 -0.038 0.000 0.985 496 T CA 0.235 62.303 62.100 -0.054 0.000 0.955 496 T CB 1.515 70.315 68.868 -0.114 0.000 0.930 496 T HN 0.869 nan 8.240 nan 0.000 0.451 497 A N 3.455 126.264 122.820 -0.018 0.000 1.929 497 A HA 0.089 4.409 4.320 -0.000 0.000 0.216 497 A C 1.387 178.978 177.584 0.011 0.000 1.176 497 A CA 0.781 52.820 52.037 0.003 0.000 0.628 497 A CB -0.262 18.744 19.000 0.010 0.000 0.816 497 A HN 0.654 nan 8.150 nan 0.000 0.444 498 T N 1.917 116.466 114.554 -0.008 0.000 2.845 498 T HA 0.459 4.809 4.350 -0.000 0.000 0.288 498 T C -2.738 171.967 174.700 0.008 0.000 0.980 498 T CA -1.077 61.028 62.100 0.009 0.000 1.071 498 T CB 1.282 70.145 68.868 -0.007 0.000 0.941 498 T HN -0.005 nan 8.240 nan 0.000 0.487 499 P HA 0.178 nan 4.420 nan 0.000 0.263 499 P C -0.749 176.608 177.300 0.096 0.000 1.195 499 P CA 0.061 63.269 63.100 0.178 0.000 0.762 499 P CB 0.286 32.178 31.700 0.322 0.000 0.799 500 T N 4.509 119.060 114.554 -0.005 0.000 2.937 500 T HA 0.454 4.804 4.350 -0.000 0.000 0.297 500 T C 0.061 174.837 174.700 0.126 0.000 0.991 500 T CA -0.408 61.654 62.100 -0.062 0.000 0.990 500 T CB 0.536 69.142 68.868 -0.438 0.000 0.991 500 T HN 0.157 nan 8.240 nan 0.000 0.440 501 I N 2.476 123.201 120.570 0.260 0.000 2.371 501 I HA 0.401 4.571 4.170 -0.000 0.000 0.290 501 I C 1.310 177.620 176.117 0.322 0.000 1.028 501 I CA -0.077 61.394 61.300 0.284 0.000 1.345 501 I CB 1.308 39.409 38.000 0.169 0.000 1.407 501 I HN 0.899 nan 8.210 nan 0.000 0.501 502 G N 4.929 113.725 108.800 -0.006 0.000 2.850 502 G HA2 0.059 4.019 3.960 -0.000 0.000 0.211 502 G HA3 0.059 4.019 3.960 -0.000 0.000 0.211 502 G C 0.261 174.904 174.900 -0.429 0.000 1.124 502 G CA 0.280 45.128 45.100 -0.421 0.000 0.769 502 G HN 0.633 nan 8.290 nan 0.000 0.535 503 H N -1.039 117.633 119.070 -0.664 0.000 3.094 503 H HA 0.457 5.013 4.556 -0.000 0.000 0.335 503 H C -2.204 172.706 175.328 -0.696 0.000 1.254 503 H CA -0.241 55.453 56.048 -0.590 0.000 1.240 503 H CB 2.093 31.661 29.762 -0.322 0.000 1.936 503 H HN -0.096 nan 8.280 nan 0.000 0.536 504 V N 2.286 121.482 119.914 -1.196 0.000 2.760 504 V HA 0.709 4.829 4.120 -0.000 0.000 0.309 504 V C 0.023 175.898 176.094 -0.366 0.000 1.077 504 V CA -0.119 61.802 62.300 -0.633 0.000 0.910 504 V CB 1.868 33.318 31.823 -0.622 0.000 1.008 504 V HN 0.926 nan 8.190 nan 0.000 0.424 505 G N 4.338 113.136 108.800 -0.004 0.000 2.755 505 G HA2 0.715 4.675 3.960 -0.000 0.000 0.297 505 G HA3 0.715 4.675 3.960 -0.000 0.000 0.297 505 G C -3.402 171.613 174.900 0.192 0.000 1.441 505 G CA -1.054 44.152 45.100 0.178 0.000 0.964 505 G HN 0.487 nan 8.290 nan 0.000 0.540 506 P HA 0.237 nan 4.420 nan 0.000 0.274 506 P C 0.267 177.711 177.300 0.239 0.000 1.256 506 P CA -0.388 62.829 63.100 0.195 0.000 0.795 506 P CB 1.263 33.043 31.700 0.135 0.000 1.038 507 M N -0.280 119.385 119.600 0.109 0.000 2.383 507 M HA 0.286 4.765 4.480 -0.000 0.000 0.247 507 M C 0.531 176.562 176.300 -0.449 0.000 1.117 507 M CA 0.355 55.654 55.300 -0.001 0.000 0.995 507 M CB -0.590 32.048 32.600 0.063 0.000 1.480 507 M HN 0.446 nan 8.290 nan 0.000 0.485 508 M N 0.867 120.267 119.600 -0.334 0.000 2.234 508 M HA 0.606 5.086 4.480 -0.000 0.000 0.267 508 M C -2.104 174.086 176.300 -0.184 0.000 1.022 508 M CA -0.192 54.888 55.300 -0.366 0.000 0.993 508 M CB 2.029 34.502 32.600 -0.211 0.000 1.836 508 M HN 0.046 nan 8.290 nan 0.000 0.479 509 A N 3.670 126.396 122.820 -0.156 0.000 2.544 509 A HA 0.613 4.933 4.320 -0.000 0.000 0.291 509 A C -1.867 175.729 177.584 0.021 0.000 1.055 509 A CA -0.987 51.042 52.037 -0.012 0.000 0.651 509 A CB 1.531 20.578 19.000 0.078 0.000 1.296 509 A HN 0.874 nan 8.150 nan 0.000 0.431 510 K N 0.073 120.485 120.400 0.020 0.000 2.090 510 K HA 0.671 4.991 4.320 -0.000 0.000 0.250 510 K C -2.723 173.881 176.600 0.007 0.000 1.004 510 K CA -1.561 54.733 56.287 0.012 0.000 0.919 510 K CB 0.278 32.779 32.500 0.001 0.000 1.045 510 K HN 0.268 nan 8.250 nan 0.000 0.471 511 P HA -0.018 nan 4.420 nan 0.000 0.267 511 P C 0.474 177.739 177.300 -0.058 0.000 1.200 511 P CA 1.172 64.226 63.100 -0.076 0.000 0.772 511 P CB 0.629 32.275 31.700 -0.091 0.000 0.855 512 G N 0.382 109.135 108.800 -0.079 0.000 2.284 512 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.230 512 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.230 512 G C 0.151 175.032 174.900 -0.032 0.000 1.021 512 G CA -0.083 44.984 45.100 -0.054 0.000 0.619 512 G HN 0.547 nan 8.290 nan 0.000 0.510 513 V N 2.257 122.165 119.914 -0.011 0.000 2.811 513 V HA 0.462 4.582 4.120 -0.000 0.000 0.302 513 V C 0.990 177.097 176.094 0.022 0.000 1.063 513 V CA 0.772 63.081 62.300 0.015 0.000 1.088 513 V CB 1.455 33.306 31.823 0.046 0.000 0.982 513 V HN 0.340 nan 8.190 nan 0.000 0.485 514 T N 6.309 120.875 114.554 0.020 0.000 2.771 514 T HA 0.548 4.898 4.350 -0.000 0.000 0.291 514 T C -0.071 174.660 174.700 0.052 0.000 0.954 514 T CA -0.031 62.082 62.100 0.023 0.000 1.045 514 T CB 0.312 69.182 68.868 0.003 0.000 0.917 514 T HN 0.590 nan 8.240 nan 0.000 0.484 515 I N 0.143 120.749 120.570 0.059 0.000 2.707 515 I HA 0.733 4.903 4.170 -0.000 0.000 0.309 515 I C -0.379 175.743 176.117 0.009 0.000 1.001 515 I CA -0.803 60.540 61.300 0.071 0.000 1.129 515 I CB 2.026 40.082 38.000 0.093 0.000 1.308 515 I HN 0.308 nan 8.210 nan 0.000 0.466 516 T N 5.544 120.105 114.554 0.011 0.000 2.770 516 T HA 0.576 4.926 4.350 -0.000 0.000 0.283 516 T C -0.193 174.461 174.700 -0.076 0.000 0.988 516 T CA -0.179 61.907 62.100 -0.024 0.000 0.957 516 T CB 0.791 69.675 68.868 0.026 0.000 0.930 516 T HN 0.376 nan 8.240 nan 0.000 0.443 517 I N 3.823 124.297 120.570 -0.161 0.000 2.354 517 I HA 0.344 4.514 4.170 -0.000 0.000 0.286 517 I C -0.339 175.718 176.117 -0.101 0.000 1.007 517 I CA -0.735 60.426 61.300 -0.232 0.000 1.167 517 I CB 1.084 38.841 38.000 -0.404 0.000 1.320 517 I HN 0.475 nan 8.210 nan 0.000 0.458 518 D N 4.735 125.104 120.400 -0.051 0.000 2.269 518 D HA 0.780 5.420 4.640 -0.000 0.000 0.244 518 D C 0.294 176.535 176.300 -0.097 0.000 0.992 518 D CA -0.069 53.931 54.000 0.000 0.000 0.894 518 D CB 2.656 43.407 40.800 -0.082 0.000 1.248 518 D HN 0.748 nan 8.370 nan 0.000 0.468 519 G N 0.338 109.032 108.800 -0.177 0.000 2.512 519 G HA2 0.246 4.206 3.960 -0.000 0.000 0.181 519 G HA3 0.246 4.206 3.960 -0.000 0.000 0.181 519 G C -1.297 173.378 174.900 -0.376 0.000 1.173 519 G CA -0.584 44.361 45.100 -0.258 0.000 0.988 519 G HN 0.313 nan 8.290 nan 0.000 0.485 520 R N -0.880 119.314 120.500 -0.509 0.000 2.739 520 R HA 0.617 4.957 4.340 -0.000 0.000 0.271 520 R C 0.547 176.520 176.300 -0.544 0.000 1.010 520 R CA -0.014 55.832 56.100 -0.424 0.000 0.897 520 R CB 1.210 31.479 30.300 -0.051 0.000 1.236 520 R HN 2.238 nan 8.270 nan 0.000 0.466 521 G N 0.913 109.528 108.800 -0.310 0.000 2.153 521 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.252 521 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.252 521 G C 0.317 175.247 174.900 0.050 0.000 0.994 521 G CA 0.389 45.418 45.100 -0.118 0.000 0.698 521 G HN 0.436 nan 8.290 nan 0.000 0.521 522 F N 0.975 120.953 119.950 0.047 0.000 2.407 522 F HA 0.378 4.904 4.527 -0.000 0.000 0.299 522 F C 2.067 178.106 175.800 0.398 0.000 1.097 522 F CA 1.195 59.265 58.000 0.118 0.000 1.422 522 F CB -0.710 38.127 39.000 -0.273 0.000 1.067 522 F HN 1.165 nan 8.300 nan 0.000 0.539 523 G N -0.237 108.815 108.800 0.420 0.000 2.746 523 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.685 523 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.685 523 G C 0.682 175.842 174.900 0.432 0.000 1.350 523 G CA -0.101 45.210 45.100 0.351 0.000 0.837 523 G HN 0.424 nan 8.290 nan 0.000 0.564 524 S N -1.343 114.511 115.700 0.257 0.000 2.503 524 S HA 0.408 4.878 4.470 -0.000 0.000 0.217 524 S C 1.133 175.829 174.600 0.159 0.000 0.999 524 S CA 1.217 59.557 58.200 0.233 0.000 0.914 524 S CB 0.313 63.587 63.200 0.125 0.000 0.782 524 S HN 1.237 nan 8.310 nan 0.000 0.520 525 S N 2.154 117.863 115.700 0.015 0.000 2.525 525 S HA 0.350 4.820 4.470 -0.000 0.000 0.278 525 S C -0.161 174.055 174.600 -0.640 0.000 1.234 525 S CA -0.726 57.363 58.200 -0.186 0.000 1.058 525 S CB 0.862 63.973 63.200 -0.148 0.000 0.983 525 S HN 0.332 nan 8.310 nan 0.000 0.495 526 K N 1.780 121.761 120.400 -0.699 0.000 2.530 526 K HA 0.099 4.419 4.320 -0.000 0.000 0.280 526 K C 0.891 176.740 176.600 -1.251 0.000 1.004 526 K CA 0.074 55.674 56.287 -1.145 0.000 1.071 526 K CB 0.222 32.431 32.500 -0.485 0.000 0.876 526 K HN 0.756 nan 8.250 nan 0.000 0.487 527 G N 1.810 109.352 108.800 -2.097 0.000 3.310 527 G HA2 0.323 4.283 3.960 -0.000 0.000 0.176 527 G HA3 0.323 4.283 3.960 -0.000 0.000 0.176 527 G C -0.737 173.831 174.900 -0.553 0.000 1.307 527 G CA -0.197 44.267 45.100 -1.061 0.000 0.935 527 G HN 0.505 nan 8.290 nan 0.000 0.628 528 T N -0.487 113.958 114.554 -0.182 0.000 2.900 528 T HA 0.579 4.929 4.350 -0.000 0.000 0.295 528 T C -1.088 173.578 174.700 -0.056 0.000 1.044 528 T CA -0.258 61.746 62.100 -0.159 0.000 0.995 528 T CB 2.192 70.891 68.868 -0.282 0.000 1.072 528 T HN 0.302 nan 8.240 nan 0.000 0.473 529 V N 2.683 122.487 119.914 -0.183 0.000 2.555 529 V HA 0.538 4.657 4.120 -0.000 0.000 0.302 529 V C -1.449 174.478 176.094 -0.278 0.000 1.038 529 V CA -0.881 61.344 62.300 -0.126 0.000 0.887 529 V CB 1.302 33.111 31.823 -0.023 0.000 0.991 529 V HN 0.826 nan 8.190 nan 0.000 0.434 530 Y N 3.507 123.769 120.300 -0.064 0.000 2.364 530 Y HA 0.642 5.192 4.550 -0.000 0.000 0.340 530 Y C -0.541 175.270 175.900 -0.149 0.000 0.975 530 Y CA -0.915 57.184 58.100 -0.001 0.000 1.089 530 Y CB 1.650 40.118 38.460 0.013 0.000 1.192 530 Y HN 0.505 nan 8.280 nan 0.000 0.454 531 F N 2.504 122.511 119.950 0.096 0.000 2.311 531 F HA 0.563 5.090 4.527 -0.000 0.000 0.371 531 F C 0.927 176.880 175.800 0.256 0.000 1.083 531 F CA -0.452 57.576 58.000 0.047 0.000 1.113 531 F CB 0.860 39.738 39.000 -0.204 0.000 1.349 531 F HN 0.803 nan 8.300 nan 0.000 0.470 532 G N 2.213 111.269 108.800 0.427 0.000 2.531 532 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.274 532 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.274 532 G C 1.142 176.211 174.900 0.281 0.000 1.159 532 G CA 0.403 45.731 45.100 0.381 0.000 0.969 532 G HN 0.774 nan 8.290 nan 0.000 0.554 533 T N -1.880 112.826 114.554 0.254 0.000 3.081 533 T HA 0.326 4.676 4.350 -0.000 0.000 0.255 533 T C 1.249 176.114 174.700 0.275 0.000 1.113 533 T CA 1.694 63.922 62.100 0.213 0.000 1.082 533 T CB -0.177 68.779 68.868 0.146 0.000 0.939 533 T HN 0.833 nan 8.240 nan 0.000 0.506 534 T N 3.235 117.954 114.554 0.275 0.000 2.853 534 T HA 0.551 4.901 4.350 -0.000 0.000 0.298 534 T C 0.172 174.990 174.700 0.198 0.000 0.978 534 T CA -0.221 62.002 62.100 0.204 0.000 1.152 534 T CB 0.588 69.540 68.868 0.141 0.000 0.914 534 T HN 0.555 nan 8.240 nan 0.000 0.539 535 A N 3.626 126.492 122.820 0.077 0.000 2.305 535 A HA 0.687 5.007 4.320 -0.000 0.000 0.322 535 A C -0.417 177.088 177.584 -0.133 0.000 1.187 535 A CA -0.616 51.328 52.037 -0.155 0.000 0.825 535 A CB 0.776 19.678 19.000 -0.163 0.000 1.164 535 A HN 0.672 nan 8.150 nan 0.000 0.498 536 V N 2.423 122.229 119.914 -0.179 0.000 2.540 536 V HA 0.752 4.872 4.120 -0.000 0.000 0.302 536 V C 0.061 176.081 176.094 -0.125 0.000 1.035 536 V CA 0.091 62.332 62.300 -0.097 0.000 0.873 536 V CB 1.456 33.278 31.823 -0.001 0.000 0.992 536 V HN 1.304 nan 8.190 nan 0.000 0.428 537 S N 2.608 118.246 115.700 -0.102 0.000 2.643 537 S HA 0.961 5.431 4.470 -0.000 0.000 0.270 537 S C 0.038 174.589 174.600 -0.083 0.000 1.166 537 S CA 0.164 58.299 58.200 -0.108 0.000 0.815 537 S CB 1.608 64.724 63.200 -0.141 0.000 1.139 537 S HN 2.249 nan 8.310 nan 0.000 0.472 538 G N 1.331 110.076 108.800 -0.091 0.000 2.512 538 G HA2 0.115 4.075 3.960 -0.000 0.000 0.254 538 G HA3 0.115 4.075 3.960 -0.000 0.000 0.254 538 G C 1.073 175.945 174.900 -0.046 0.000 1.199 538 G CA 0.934 45.992 45.100 -0.071 0.000 0.941 538 G HN 2.002 nan 8.290 nan 0.000 0.569 539 A N -0.954 121.843 122.820 -0.039 0.000 1.917 539 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 539 A C 1.959 179.530 177.584 -0.023 0.000 1.182 539 A CA 2.855 54.875 52.037 -0.028 0.000 0.633 539 A CB -0.682 18.301 19.000 -0.029 0.000 0.819 539 A HN 0.755 nan 8.150 nan 0.000 0.448 540 D N -0.629 119.753 120.400 -0.030 0.000 2.350 540 D HA 0.015 4.655 4.640 -0.000 0.000 0.216 540 D C 0.375 176.671 176.300 -0.008 0.000 0.968 540 D CA 0.516 54.498 54.000 -0.030 0.000 0.894 540 D CB -0.190 40.578 40.800 -0.053 0.000 0.909 540 D HN 0.481 nan 8.370 nan 0.000 0.520 541 I N 1.183 121.760 120.570 0.010 0.000 2.256 541 I HA 0.006 4.176 4.170 -0.000 0.000 0.294 541 I C 1.255 177.402 176.117 0.050 0.000 1.127 541 I CA -0.118 61.216 61.300 0.056 0.000 1.247 541 I CB 1.044 39.108 38.000 0.107 0.000 1.460 541 I HN -0.151 nan 8.210 nan 0.000 0.511 542 T N 2.881 117.456 114.554 0.033 0.000 2.720 542 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 542 T C 0.782 175.508 174.700 0.044 0.000 1.037 542 T CA 1.455 63.569 62.100 0.024 0.000 1.144 542 T CB -0.079 68.795 68.868 0.010 0.000 0.864 542 T HN 0.720 nan 8.240 nan 0.000 0.444 543 S N -0.889 114.853 115.700 0.070 0.000 2.550 543 S HA 0.567 5.037 4.470 -0.000 0.000 0.270 543 S C -2.214 172.495 174.600 0.181 0.000 1.145 543 S CA -1.136 57.124 58.200 0.100 0.000 0.852 543 S CB 2.377 65.610 63.200 0.055 0.000 1.119 543 S HN 0.415 nan 8.310 nan 0.000 0.465 544 W N 2.998 124.286 121.300 -0.019 0.000 3.211 544 W HA 0.540 5.200 4.660 -0.000 0.000 0.335 544 W C -1.501 175.035 176.519 0.028 0.000 1.113 544 W CA -0.474 56.863 57.345 -0.013 0.000 1.235 544 W CB 1.617 31.056 29.460 -0.036 0.000 1.365 544 W HN 1.171 nan 8.180 nan 0.000 0.476 545 E N 1.673 121.955 120.200 0.138 0.000 2.458 545 E HA 0.240 4.590 4.350 -0.000 0.000 0.278 545 E C -0.368 176.315 176.600 0.138 0.000 1.004 545 E CA -0.583 55.941 56.400 0.207 0.000 0.823 545 E CB 1.702 31.472 29.700 0.116 0.000 1.396 545 E HN 0.160 nan 8.360 nan 0.000 0.463 546 D N -0.052 120.438 120.400 0.151 0.000 2.158 546 D HA -0.187 4.453 4.640 -0.000 0.000 0.197 546 D C 1.685 177.943 176.300 -0.070 0.000 0.995 546 D CA 2.842 56.896 54.000 0.090 0.000 0.846 546 D CB 0.135 40.958 40.800 0.038 0.000 0.941 546 D HN 0.574 nan 8.370 nan 0.000 0.456 547 T N -3.671 110.863 114.554 -0.034 0.000 3.023 547 T HA 0.138 4.488 4.350 -0.000 0.000 0.253 547 T C 0.537 175.277 174.700 0.068 0.000 1.038 547 T CA -0.461 61.576 62.100 -0.105 0.000 0.962 547 T CB 0.418 69.252 68.868 -0.057 0.000 1.018 547 T HN 0.126 nan 8.240 nan 0.000 0.521 548 Q N 0.132 120.010 119.800 0.130 0.000 2.309 548 Q HA 0.644 4.984 4.340 -0.000 0.000 0.273 548 Q C -2.105 173.808 176.000 -0.146 0.000 1.040 548 Q CA -0.880 54.950 55.803 0.046 0.000 0.834 548 Q CB 2.079 30.814 28.738 -0.005 0.000 1.345 548 Q HN 0.450 nan 8.270 nan 0.000 0.414 549 I N 2.921 123.320 120.570 -0.286 0.000 2.545 549 I HA 0.472 4.642 4.170 -0.000 0.000 0.292 549 I C -0.746 175.257 176.117 -0.191 0.000 1.040 549 I CA -0.976 60.091 61.300 -0.389 0.000 1.068 549 I CB 1.916 39.443 38.000 -0.789 0.000 1.251 549 I HN 0.309 nan 8.210 nan 0.000 0.424 550 K N 5.529 125.876 120.400 -0.087 0.000 2.358 550 K HA 0.669 4.989 4.320 -0.000 0.000 0.260 550 K C -1.271 175.322 176.600 -0.012 0.000 0.956 550 K CA -0.581 55.682 56.287 -0.041 0.000 0.834 550 K CB 2.613 35.104 32.500 -0.014 0.000 1.102 550 K HN 0.400 nan 8.250 nan 0.000 0.431 551 V N 2.658 122.567 119.914 -0.009 0.000 2.888 551 V HA 0.368 4.488 4.120 -0.000 0.000 0.309 551 V C -1.172 174.936 176.094 0.022 0.000 1.114 551 V CA -0.951 61.362 62.300 0.022 0.000 0.940 551 V CB 2.088 33.941 31.823 0.050 0.000 1.021 551 V HN 0.650 nan 8.190 nan 0.000 0.426 552 K N 5.734 126.127 120.400 -0.012 0.000 2.249 552 K HA 0.506 4.826 4.320 -0.000 0.000 0.280 552 K C -0.377 176.126 176.600 -0.162 0.000 1.033 552 K CA -0.287 55.966 56.287 -0.056 0.000 0.946 552 K CB 1.249 33.710 32.500 -0.065 0.000 1.005 552 K HN 0.606 nan 8.250 nan 0.000 0.469 553 I N 6.172 126.620 120.570 -0.203 0.000 2.598 553 I HA 0.008 4.178 4.170 -0.000 0.000 0.284 553 I C -1.562 174.258 176.117 -0.494 0.000 1.140 553 I CA -1.587 59.414 61.300 -0.498 0.000 1.420 553 I CB 0.228 38.101 38.000 -0.213 0.000 1.387 553 I HN 0.388 nan 8.210 nan 0.000 0.553 554 P HA 0.052 nan 4.420 nan 0.000 0.272 554 P C -0.645 176.463 177.300 -0.319 0.000 1.230 554 P CA -0.531 62.307 63.100 -0.437 0.000 0.788 554 P CB 0.835 32.261 31.700 -0.456 0.000 0.949 555 A N 2.457 125.162 122.820 -0.191 0.000 3.026 555 A HA 0.361 4.681 4.320 -0.000 0.000 0.272 555 A C 0.733 178.256 177.584 -0.100 0.000 1.782 555 A CA -0.327 51.636 52.037 -0.123 0.000 1.451 555 A CB -1.542 17.411 19.000 -0.077 0.000 1.081 555 A HN 0.410 nan 8.150 nan 0.000 0.611 556 V N -1.452 118.381 119.914 -0.134 0.000 2.975 556 V HA 0.884 5.004 4.120 -0.000 0.000 0.318 556 V C 0.653 176.765 176.094 0.029 0.000 1.077 556 V CA -0.837 61.428 62.300 -0.058 0.000 1.000 556 V CB 0.911 32.642 31.823 -0.153 0.000 1.066 556 V HN 0.956 nan 8.190 nan 0.000 0.452 557 A N 1.403 124.303 122.820 0.134 0.000 2.483 557 A HA 0.560 4.880 4.320 -0.000 0.000 0.238 557 A C 0.985 178.702 177.584 0.221 0.000 1.070 557 A CA 0.378 52.505 52.037 0.150 0.000 0.770 557 A CB -0.558 18.531 19.000 0.149 0.000 1.008 557 A HN 2.055 nan 8.150 nan 0.000 0.497 558 G N -0.066 108.823 108.800 0.148 0.000 2.414 558 G HA2 0.563 4.523 3.960 -0.000 0.000 0.236 558 G HA3 0.563 4.523 3.960 -0.000 0.000 0.236 558 G C 0.446 175.476 174.900 0.217 0.000 1.293 558 G CA 0.605 45.802 45.100 0.161 0.000 0.869 558 G HN 1.950 nan 8.290 nan 0.000 0.556 559 G N 0.462 109.427 108.800 0.275 0.000 2.324 559 G HA2 0.283 4.243 3.960 -0.000 0.000 0.293 559 G HA3 0.283 4.243 3.960 -0.000 0.000 0.293 559 G C -1.350 173.676 174.900 0.210 0.000 1.297 559 G CA -0.875 44.322 45.100 0.160 0.000 0.853 559 G HN 0.824 nan 8.290 nan 0.000 0.535 560 N N -0.524 118.171 118.700 -0.007 0.000 2.419 560 N HA 0.706 5.446 4.740 -0.000 0.000 0.277 560 N C -1.373 174.117 175.510 -0.034 0.000 1.006 560 N CA -0.310 52.783 53.050 0.073 0.000 0.923 560 N CB 0.711 39.206 38.487 0.013 0.000 1.140 560 N HN 0.437 nan 8.380 nan 0.000 0.488 561 Y N 0.929 121.366 120.300 0.228 0.000 2.536 561 Y HA 0.444 4.994 4.550 -0.000 0.000 0.347 561 Y C -0.025 175.991 175.900 0.193 0.000 1.000 561 Y CA -1.098 57.141 58.100 0.231 0.000 1.051 561 Y CB 1.347 40.005 38.460 0.329 0.000 1.259 561 Y HN 0.427 nan 8.280 nan 0.000 0.468 562 N N 2.202 121.061 118.700 0.265 0.000 2.455 562 N HA 0.321 5.061 4.740 -0.000 0.000 0.280 562 N C -0.970 174.592 175.510 0.086 0.000 1.055 562 N CA -0.238 52.904 53.050 0.153 0.000 0.961 562 N CB 1.109 39.651 38.487 0.092 0.000 1.121 562 N HN 0.402 nan 8.380 nan 0.000 0.476 563 I N 1.420 122.000 120.570 0.016 0.000 2.392 563 I HA 0.375 4.545 4.170 -0.000 0.000 0.295 563 I C 0.481 176.558 176.117 -0.068 0.000 0.985 563 I CA -0.309 60.881 61.300 -0.184 0.000 1.221 563 I CB 0.849 38.668 38.000 -0.301 0.000 1.366 563 I HN 0.382 nan 8.210 nan 0.000 0.467 564 K N 4.924 125.281 120.400 -0.072 0.000 2.551 564 K HA 0.731 5.051 4.320 -0.000 0.000 0.269 564 K C -1.605 175.064 176.600 0.116 0.000 0.949 564 K CA -0.547 55.758 56.287 0.029 0.000 0.849 564 K CB 2.839 35.351 32.500 0.020 0.000 1.411 564 K HN 0.403 nan 8.250 nan 0.000 0.432 565 V N -1.500 118.489 119.914 0.125 0.000 3.141 565 V HA 1.007 5.127 4.120 -0.000 0.000 0.312 565 V C -1.394 174.874 176.094 0.290 0.000 1.157 565 V CA -0.755 61.659 62.300 0.189 0.000 1.041 565 V CB 1.613 33.388 31.823 -0.081 0.000 1.071 565 V HN 0.915 nan 8.190 nan 0.000 0.441 566 A N 1.898 124.942 122.820 0.374 0.000 2.455 566 A HA 0.831 5.151 4.320 -0.000 0.000 0.300 566 A C -0.403 177.367 177.584 0.310 0.000 1.040 566 A CA -0.564 51.659 52.037 0.310 0.000 0.697 566 A CB 1.306 20.497 19.000 0.319 0.000 1.265 566 A HN 1.439 nan 8.150 nan 0.000 0.407 567 N N 1.332 120.194 118.700 0.270 0.000 2.294 567 N HA 0.380 5.120 4.740 -0.000 0.000 0.248 567 N C 1.175 176.696 175.510 0.018 0.000 1.300 567 N CA 0.183 53.372 53.050 0.233 0.000 0.925 567 N CB 0.255 38.881 38.487 0.233 0.000 1.188 567 N HN 0.747 nan 8.380 nan 0.000 0.512 568 A N -1.011 121.761 122.820 -0.081 0.000 2.024 568 A HA -0.000 4.320 4.320 -0.000 0.000 0.220 568 A C 2.014 179.568 177.584 -0.052 0.000 1.164 568 A CA 1.861 53.818 52.037 -0.134 0.000 0.643 568 A CB -1.391 17.519 19.000 -0.151 0.000 0.806 568 A HN 0.857 nan 8.150 nan 0.000 0.451 569 A N -2.138 120.681 122.820 -0.003 0.000 2.208 569 A HA 0.407 4.727 4.320 -0.000 0.000 0.209 569 A C 1.816 179.415 177.584 0.026 0.000 1.161 569 A CA 1.251 53.295 52.037 0.011 0.000 0.782 569 A CB -0.689 18.326 19.000 0.024 0.000 0.816 569 A HN 1.842 nan 8.150 nan 0.000 0.477 570 G N -1.722 107.104 108.800 0.042 0.000 2.159 570 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.227 570 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.227 570 G C 0.296 175.242 174.900 0.076 0.000 0.986 570 G CA 0.249 45.388 45.100 0.065 0.000 0.651 570 G HN 0.572 nan 8.290 nan 0.000 0.523 571 T N 1.853 116.455 114.554 0.080 0.000 2.779 571 T HA 0.597 4.947 4.350 -0.000 0.000 0.296 571 T C 0.762 175.523 174.700 0.101 0.000 0.938 571 T CA 0.611 62.757 62.100 0.075 0.000 1.119 571 T CB 1.448 70.359 68.868 0.072 0.000 0.891 571 T HN 1.255 nan 8.240 nan 0.000 0.526 572 A N 3.762 126.622 122.820 0.068 0.000 2.340 572 A HA 0.629 4.949 4.320 -0.000 0.000 0.268 572 A C 0.878 178.503 177.584 0.068 0.000 1.100 572 A CA -0.709 51.365 52.037 0.063 0.000 0.803 572 A CB 0.302 19.291 19.000 -0.020 0.000 1.043 572 A HN 0.868 nan 8.150 nan 0.000 0.488 573 S N 1.843 117.597 115.700 0.090 0.000 2.719 573 S HA 0.408 4.878 4.470 -0.000 0.000 0.285 573 S C 0.275 174.910 174.600 0.058 0.000 1.137 573 S CA -0.541 57.715 58.200 0.093 0.000 1.012 573 S CB 0.307 63.599 63.200 0.154 0.000 1.134 573 S HN 0.929 nan 8.310 nan 0.000 0.544 574 N N -0.198 118.540 118.700 0.064 0.000 2.354 574 N HA 0.184 4.924 4.740 -0.000 0.000 0.246 574 N C -0.649 174.907 175.510 0.078 0.000 1.285 574 N CA -0.489 52.596 53.050 0.059 0.000 0.925 574 N CB 0.046 38.574 38.487 0.068 0.000 1.174 574 N HN 0.441 nan 8.380 nan 0.000 0.478 575 V N 0.723 120.676 119.914 0.066 0.000 2.439 575 V HA 0.146 4.266 4.120 -0.000 0.000 0.282 575 V C -0.887 175.276 176.094 0.114 0.000 1.039 575 V CA -0.649 61.694 62.300 0.072 0.000 0.913 575 V CB 0.173 32.016 31.823 0.034 0.000 0.983 575 V HN 0.631 nan 8.190 nan 0.000 0.460 576 Y N 5.511 125.811 120.300 0.001 0.000 2.402 576 Y HA 0.375 4.925 4.550 -0.000 0.000 0.332 576 Y C 0.446 176.360 175.900 0.025 0.000 0.960 576 Y CA -1.037 57.068 58.100 0.008 0.000 1.228 576 Y CB 0.608 39.056 38.460 -0.021 0.000 1.120 576 Y HN 0.859 nan 8.280 nan 0.000 0.491 577 D N 2.200 122.577 120.400 -0.038 0.000 2.506 577 D HA 0.132 4.772 4.640 -0.000 0.000 0.272 577 D C 0.012 176.356 176.300 0.072 0.000 1.214 577 D CA -0.485 53.538 54.000 0.038 0.000 1.067 577 D CB 0.646 41.442 40.800 -0.006 0.000 1.117 577 D HN 0.553 nan 8.370 nan 0.000 0.578 578 N N -2.359 116.401 118.700 0.100 0.000 2.776 578 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 578 N C -1.328 174.280 175.510 0.163 0.000 1.111 578 N CA 0.175 53.283 53.050 0.096 0.000 0.711 578 N CB -1.966 36.539 38.487 0.030 0.000 1.065 578 N HN 0.426 nan 8.380 nan 0.000 0.556 579 F N 1.484 121.517 119.950 0.139 0.000 2.420 579 F HA 0.369 4.896 4.527 -0.000 0.000 0.352 579 F C 0.661 176.586 175.800 0.209 0.000 1.108 579 F CA -0.509 57.593 58.000 0.171 0.000 1.162 579 F CB 0.753 39.864 39.000 0.185 0.000 1.118 579 F HN 0.129 nan 8.300 nan 0.000 0.510 580 E N 5.798 125.677 120.200 -0.535 0.000 2.109 580 E HA 0.369 4.719 4.350 -0.000 0.000 0.278 580 E C -1.462 174.947 176.600 -0.318 0.000 0.954 580 E CA -0.698 55.553 56.400 -0.249 0.000 0.779 580 E CB 1.218 30.809 29.700 -0.181 0.000 1.093 580 E HN 0.503 nan 8.360 nan 0.000 0.401 581 V N 6.565 126.535 119.914 0.094 0.000 2.406 581 V HA 0.185 4.305 4.120 -0.000 0.000 0.272 581 V C 0.508 176.644 176.094 0.070 0.000 1.043 581 V CA -0.401 61.976 62.300 0.129 0.000 0.915 581 V CB 0.763 32.687 31.823 0.168 0.000 0.988 581 V HN 0.689 nan 8.190 nan 0.000 0.466 582 L N 3.578 124.810 121.223 0.014 0.000 2.466 582 L HA 0.261 4.601 4.340 -0.000 0.000 0.257 582 L C 1.421 178.306 176.870 0.024 0.000 1.189 582 L CA -0.047 54.798 54.840 0.009 0.000 0.813 582 L CB 0.889 42.940 42.059 -0.014 0.000 1.118 582 L HN 0.625 nan 8.230 nan 0.000 0.471 583 S N 0.091 115.804 115.700 0.022 0.000 2.603 583 S HA 0.287 4.757 4.470 -0.000 0.000 0.220 583 S C 0.469 175.075 174.600 0.010 0.000 0.967 583 S CA 0.457 58.669 58.200 0.021 0.000 0.920 583 S CB 0.091 63.303 63.200 0.019 0.000 0.773 583 S HN 0.937 nan 8.310 nan 0.000 0.529 584 G N 0.641 109.444 108.800 0.005 0.000 2.352 584 G HA2 0.124 4.084 3.960 -0.000 0.000 0.283 584 G HA3 0.124 4.084 3.960 -0.000 0.000 0.283 584 G C -2.228 172.672 174.900 -0.001 0.000 1.308 584 G CA -1.004 44.096 45.100 0.001 0.000 0.892 584 G HN 0.063 nan 8.290 nan 0.000 0.504 585 D N 0.856 121.256 120.400 -0.001 0.000 2.400 585 D HA 0.342 4.982 4.640 -0.000 0.000 0.238 585 D C 0.156 176.457 176.300 0.001 0.000 1.157 585 D CA 0.534 54.532 54.000 -0.004 0.000 0.889 585 D CB 0.702 41.500 40.800 -0.003 0.000 1.199 585 D HN 0.299 nan 8.370 nan 0.000 0.436 586 Q N 0.230 120.027 119.800 -0.005 0.000 2.306 586 Q HA 0.570 4.910 4.340 -0.000 0.000 0.265 586 Q C -0.352 175.664 176.000 0.026 0.000 1.022 586 Q CA -0.990 54.819 55.803 0.010 0.000 0.853 586 Q CB 2.336 31.069 28.738 -0.009 0.000 1.327 586 Q HN 0.327 nan 8.270 nan 0.000 0.449 587 V N -2.083 117.870 119.914 0.065 0.000 2.962 587 V HA 0.666 4.786 4.120 -0.000 0.000 0.313 587 V C -0.304 175.877 176.094 0.146 0.000 1.099 587 V CA -0.952 61.410 62.300 0.102 0.000 0.971 587 V CB 2.002 33.890 31.823 0.108 0.000 1.028 587 V HN 0.684 nan 8.190 nan 0.000 0.430 588 S N 1.984 117.804 115.700 0.200 0.000 2.430 588 S HA 0.686 5.156 4.470 -0.000 0.000 0.289 588 S C -0.536 174.210 174.600 0.244 0.000 1.143 588 S CA -0.329 58.030 58.200 0.265 0.000 1.067 588 S CB 0.441 63.910 63.200 0.449 0.000 0.964 588 S HN 0.830 nan 8.310 nan 0.000 0.485 589 V N 6.393 126.445 119.914 0.231 0.000 2.495 589 V HA 0.519 4.639 4.120 -0.000 0.000 0.298 589 V C 0.236 176.408 176.094 0.130 0.000 1.031 589 V CA -0.984 61.386 62.300 0.118 0.000 0.871 589 V CB 1.708 33.545 31.823 0.023 0.000 0.988 589 V HN 0.839 nan 8.190 nan 0.000 0.432 590 R N 3.473 123.991 120.500 0.030 0.000 2.221 590 R HA 0.487 4.827 4.340 -0.000 0.000 0.327 590 R C -1.546 174.713 176.300 -0.069 0.000 1.033 590 R CA -0.310 55.856 56.100 0.111 0.000 0.887 590 R CB 0.504 30.887 30.300 0.137 0.000 1.057 590 R HN 0.503 nan 8.270 nan 0.000 0.455 591 F N 3.918 123.885 119.950 0.028 0.000 2.420 591 F HA 0.377 4.904 4.527 -0.000 0.000 0.342 591 F C -0.201 175.628 175.800 0.048 0.000 1.113 591 F CA -0.597 57.409 58.000 0.011 0.000 1.059 591 F CB 1.985 41.029 39.000 0.074 0.000 1.128 591 F HN 0.112 nan 8.300 nan 0.000 0.475 592 V N 4.455 124.415 119.914 0.077 0.000 2.531 592 V HA 0.513 4.633 4.120 -0.000 0.000 0.301 592 V C -0.956 175.042 176.094 -0.161 0.000 1.034 592 V CA -0.902 61.314 62.300 -0.140 0.000 0.865 592 V CB 1.955 33.508 31.823 -0.451 0.000 0.995 592 V HN 0.518 nan 8.190 nan 0.000 0.424 593 V N 5.793 125.528 119.914 -0.298 0.000 2.487 593 V HA 0.590 4.710 4.120 -0.000 0.000 0.298 593 V C -0.465 175.549 176.094 -0.134 0.000 1.028 593 V CA -0.451 61.594 62.300 -0.426 0.000 0.860 593 V CB 1.836 32.938 31.823 -1.202 0.000 0.991 593 V HN 0.932 nan 8.190 nan 0.000 0.427 594 N N 4.471 123.146 118.700 -0.042 0.000 2.487 594 N HA 0.365 5.105 4.740 -0.000 0.000 0.292 594 N C -0.062 175.488 175.510 0.066 0.000 1.108 594 N CA -0.197 52.866 53.050 0.021 0.000 0.956 594 N CB 0.961 39.464 38.487 0.027 0.000 1.176 594 N HN 0.840 nan 8.380 nan 0.000 0.484 595 N N -0.735 117.976 118.700 0.018 0.000 2.727 595 N HA -0.199 4.541 4.740 -0.000 0.000 0.251 595 N C -1.114 174.362 175.510 -0.057 0.000 1.040 595 N CA 0.515 53.554 53.050 -0.017 0.000 0.712 595 N CB -0.901 37.611 38.487 0.042 0.000 0.912 595 N HN 0.627 nan 8.380 nan 0.000 0.545 596 A N 0.650 123.400 122.820 -0.116 0.000 2.690 596 A HA 0.494 4.814 4.320 -0.000 0.000 0.342 596 A C 0.746 178.167 177.584 -0.272 0.000 1.410 596 A CA -0.259 51.537 52.037 -0.402 0.000 0.958 596 A CB 0.045 18.779 19.000 -0.444 0.000 1.153 596 A HN 0.352 nan 8.150 nan 0.000 0.497 597 T N 0.374 114.754 114.554 -0.291 0.000 2.913 597 T HA 0.587 4.937 4.350 -0.000 0.000 0.297 597 T C 0.359 175.075 174.700 0.028 0.000 1.029 597 T CA 0.351 62.422 62.100 -0.048 0.000 1.104 597 T CB 0.943 69.802 68.868 -0.016 0.000 0.964 597 T HN 1.004 nan 8.240 nan 0.000 0.532 598 T N -1.320 113.421 114.554 0.312 0.000 2.841 598 T HA 0.764 5.114 4.350 -0.000 0.000 0.296 598 T C -0.496 174.295 174.700 0.151 0.000 1.166 598 T CA -0.878 61.331 62.100 0.182 0.000 1.007 598 T CB 1.355 70.379 68.868 0.260 0.000 1.253 598 T HN 1.092 nan 8.240 nan 0.000 0.511 599 A N 1.037 123.906 122.820 0.081 0.000 2.282 599 A HA 0.745 5.065 4.320 -0.000 0.000 0.319 599 A C 0.212 177.823 177.584 0.045 0.000 1.121 599 A CA -1.009 51.057 52.037 0.049 0.000 0.836 599 A CB 0.217 19.237 19.000 0.035 0.000 1.146 599 A HN 0.951 nan 8.150 nan 0.000 0.494 600 L N 1.375 122.607 121.223 0.015 0.000 2.601 600 L HA 0.242 4.582 4.340 -0.000 0.000 0.277 600 L C 1.554 178.446 176.870 0.036 0.000 1.219 600 L CA 1.653 56.499 54.840 0.010 0.000 0.915 600 L CB -0.036 42.018 42.059 -0.008 0.000 1.160 600 L HN 1.272 nan 8.230 nan 0.000 0.494 601 G N 2.194 111.028 108.800 0.056 0.000 2.258 601 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.233 601 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.233 601 G C 0.211 175.166 174.900 0.091 0.000 1.006 601 G CA 0.139 45.280 45.100 0.068 0.000 0.620 601 G HN 0.592 nan 8.290 nan 0.000 0.511 602 Q N 0.994 120.849 119.800 0.093 0.000 2.256 602 Q HA 0.570 4.910 4.340 -0.000 0.000 0.254 602 Q C -0.557 175.518 176.000 0.124 0.000 0.916 602 Q CA -0.551 55.303 55.803 0.086 0.000 0.932 602 Q CB 0.432 29.198 28.738 0.048 0.000 1.207 602 Q HN 0.423 nan 8.270 nan 0.000 0.426 603 N N 1.926 120.681 118.700 0.092 0.000 2.321 603 N HA 0.375 5.115 4.740 -0.000 0.000 0.290 603 N C -1.378 173.961 175.510 -0.285 0.000 1.212 603 N CA -0.482 52.542 53.050 -0.043 0.000 0.767 603 N CB 2.162 40.696 38.487 0.079 0.000 1.494 603 N HN 0.313 nan 8.380 nan 0.000 0.479 604 V N 1.995 121.355 119.914 -0.924 0.000 2.509 604 V HA 0.384 4.504 4.120 -0.000 0.000 0.284 604 V C -0.842 175.016 176.094 -0.392 0.000 1.047 604 V CA -0.082 61.800 62.300 -0.696 0.000 0.952 604 V CB 0.099 31.150 31.823 -1.286 0.000 0.988 604 V HN 0.516 nan 8.190 nan 0.000 0.469 605 Y N 3.346 123.541 120.300 -0.175 0.000 2.602 605 Y HA 0.718 5.268 4.550 -0.000 0.000 0.342 605 Y C -0.331 175.544 175.900 -0.041 0.000 1.029 605 Y CA -1.185 56.826 58.100 -0.148 0.000 1.080 605 Y CB 1.865 40.214 38.460 -0.186 0.000 1.284 605 Y HN 0.512 nan 8.280 nan 0.000 0.485 606 L N 1.096 122.319 121.223 -0.001 0.000 2.322 606 L HA 0.792 5.132 4.340 -0.000 0.000 0.281 606 L C -0.473 176.251 176.870 -0.243 0.000 1.014 606 L CA 0.039 54.745 54.840 -0.223 0.000 0.815 606 L CB 1.726 43.545 42.059 -0.400 0.000 1.247 606 L HN 0.673 nan 8.230 nan 0.000 0.421 607 T N 2.931 117.331 114.554 -0.256 0.000 2.906 607 T HA 0.940 5.290 4.350 -0.000 0.000 0.295 607 T C -0.525 173.968 174.700 -0.346 0.000 1.061 607 T CA 0.053 62.027 62.100 -0.210 0.000 1.000 607 T CB 1.427 70.261 68.868 -0.057 0.000 1.103 607 T HN 1.045 nan 8.240 nan 0.000 0.486 608 G N 0.415 108.807 108.800 -0.679 0.000 2.548 608 G HA2 0.432 4.392 3.960 -0.000 0.000 0.301 608 G HA3 0.432 4.392 3.960 -0.000 0.000 0.301 608 G C 0.277 174.307 174.900 -1.451 0.000 1.349 608 G CA 0.057 44.500 45.100 -1.096 0.000 0.792 608 G HN 0.986 nan 8.290 nan 0.000 0.481 609 S N -1.342 113.798 115.700 -0.932 0.000 2.754 609 S HA 0.361 4.831 4.470 -0.000 0.000 0.223 609 S C 0.650 175.133 174.600 -0.194 0.000 0.951 609 S CA 0.532 58.455 58.200 -0.463 0.000 0.954 609 S CB -0.917 62.328 63.200 0.074 0.000 0.780 609 S HN 1.763 nan 8.310 nan 0.000 0.509 610 V N -2.157 117.628 119.914 -0.215 0.000 3.078 610 V HA 0.657 4.777 4.120 -0.000 0.000 0.311 610 V C 1.122 177.158 176.094 -0.097 0.000 1.138 610 V CA -0.424 61.820 62.300 -0.094 0.000 1.007 610 V CB 1.109 32.906 31.823 -0.044 0.000 1.045 610 V HN 0.202 nan 8.190 nan 0.000 0.432 611 S N 0.321 115.999 115.700 -0.037 0.000 2.400 611 S HA -0.208 4.262 4.470 -0.000 0.000 0.232 611 S C 1.288 175.866 174.600 -0.036 0.000 1.025 611 S CA 1.762 59.947 58.200 -0.024 0.000 0.993 611 S CB -0.649 62.564 63.200 0.021 0.000 0.808 611 S HN 0.913 nan 8.310 nan 0.000 0.478 612 E N 1.131 121.313 120.200 -0.030 0.000 2.333 612 E HA 0.103 4.453 4.350 -0.000 0.000 0.198 612 E C 1.222 177.786 176.600 -0.060 0.000 1.007 612 E CA 0.725 57.110 56.400 -0.025 0.000 0.845 612 E CB -0.267 29.434 29.700 0.002 0.000 0.766 612 E HN 0.586 nan 8.360 nan 0.000 0.507 613 L N -1.457 119.699 121.223 -0.113 0.000 3.014 613 L HA 0.330 4.670 4.340 -0.000 0.000 0.263 613 L C 0.960 177.723 176.870 -0.178 0.000 1.207 613 L CA 0.117 54.848 54.840 -0.182 0.000 1.017 613 L CB 0.471 42.368 42.059 -0.271 0.000 1.360 613 L HN 0.270 nan 8.230 nan 0.000 0.560 614 G N 0.249 108.980 108.800 -0.116 0.000 2.162 614 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 614 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 614 G C 0.441 175.299 174.900 -0.070 0.000 0.976 614 G CA 0.145 45.200 45.100 -0.076 0.000 0.655 614 G HN 0.464 nan 8.290 nan 0.000 0.533 615 N N -1.026 117.581 118.700 -0.155 0.000 2.705 615 N HA -0.237 4.503 4.740 -0.000 0.000 0.255 615 N C 0.934 176.471 175.510 0.046 0.000 1.008 615 N CA 1.885 54.847 53.050 -0.147 0.000 0.742 615 N CB -1.595 36.891 38.487 -0.002 0.000 0.906 615 N HN 1.249 nan 8.380 nan 0.000 0.541 616 W N -3.031 118.334 121.300 0.109 0.000 2.589 616 W HA -0.264 4.396 4.660 -0.000 0.000 0.272 616 W C 0.373 177.020 176.519 0.214 0.000 1.060 616 W CA 0.421 57.888 57.345 0.205 0.000 0.533 616 W CB -1.372 28.198 29.460 0.184 0.000 2.084 616 W HN 0.291 nan 8.180 nan 0.000 1.371 617 D N 0.332 120.888 120.400 0.261 0.000 2.380 617 D HA 0.196 4.836 4.640 -0.000 0.000 0.230 617 D C -0.996 175.352 176.300 0.081 0.000 1.154 617 D CA -2.108 51.998 54.000 0.175 0.000 0.859 617 D CB 1.233 42.091 40.800 0.096 0.000 1.045 617 D HN -0.192 nan 8.370 nan 0.000 0.495 618 P HA -0.152 nan 4.420 nan 0.000 0.217 618 P C 0.948 178.166 177.300 -0.136 0.000 1.148 618 P CA 1.357 64.392 63.100 -0.108 0.000 0.828 618 P CB 0.210 31.840 31.700 -0.115 0.000 0.783 619 A N -0.594 122.186 122.820 -0.066 0.000 2.125 619 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 619 A C 1.652 179.201 177.584 -0.058 0.000 1.156 619 A CA 1.421 53.416 52.037 -0.069 0.000 0.671 619 A CB -0.735 18.248 19.000 -0.028 0.000 0.794 619 A HN 0.227 nan 8.150 nan 0.000 0.459 620 K N -0.455 119.919 120.400 -0.044 0.000 2.537 620 K HA 0.435 4.755 4.320 -0.000 0.000 0.206 620 K C 0.158 176.734 176.600 -0.039 0.000 1.041 620 K CA 0.106 56.375 56.287 -0.029 0.000 1.090 620 K CB 0.764 33.254 32.500 -0.017 0.000 0.833 620 K HN 0.359 nan 8.250 nan 0.000 0.493 621 A N 1.353 124.134 122.820 -0.065 0.000 2.425 621 A HA 0.255 4.575 4.320 -0.000 0.000 0.242 621 A C 0.194 177.801 177.584 0.037 0.000 1.077 621 A CA -0.277 51.729 52.037 -0.053 0.000 0.781 621 A CB 0.183 19.118 19.000 -0.108 0.000 1.020 621 A HN 0.151 nan 8.150 nan 0.000 0.494 622 I N 1.619 122.170 120.570 -0.031 0.000 2.416 622 I HA 0.544 4.714 4.170 -0.000 0.000 0.288 622 I C 1.012 176.967 176.117 -0.270 0.000 1.051 622 I CA 1.276 62.515 61.300 -0.102 0.000 1.375 622 I CB -0.401 37.509 38.000 -0.150 0.000 1.407 622 I HN 1.026 nan 8.210 nan 0.000 0.516 623 G N 8.368 116.891 108.800 -0.462 0.000 2.320 623 G HA2 0.064 4.024 3.960 -0.000 0.000 0.274 623 G HA3 0.064 4.024 3.960 -0.000 0.000 0.274 623 G C -3.112 171.468 174.900 -0.533 0.000 1.324 623 G CA -0.882 43.657 45.100 -0.935 0.000 0.957 623 G HN 0.437 nan 8.290 nan 0.000 0.481 624 P HA 0.269 nan 4.420 nan 0.000 0.265 624 P C 0.307 177.155 177.300 -0.752 0.000 1.193 624 P CA 0.231 62.715 63.100 -1.028 0.000 0.765 624 P CB 0.408 31.849 31.700 -0.432 0.000 0.823 625 M N 2.374 121.588 119.600 -0.644 0.000 2.167 625 M HA 0.142 4.622 4.480 -0.000 0.000 0.300 625 M C 0.220 176.548 176.300 0.046 0.000 1.171 625 M CA 0.361 55.451 55.300 -0.350 0.000 1.171 625 M CB -0.019 32.543 32.600 -0.064 0.000 1.396 625 M HN 0.281 nan 8.290 nan 0.000 0.466 626 Y N 0.788 121.092 120.300 0.006 0.000 2.453 626 Y HA 0.300 4.850 4.550 -0.000 0.000 0.326 626 Y C 0.483 176.211 175.900 -0.288 0.000 1.186 626 Y CA -1.486 56.459 58.100 -0.258 0.000 1.200 626 Y CB 0.568 38.637 38.460 -0.651 0.000 1.247 626 Y HN 0.683 nan 8.280 nan 0.000 0.482 627 N N -1.549 117.104 118.700 -0.077 0.000 2.361 627 N HA 0.088 4.828 4.740 -0.000 0.000 0.253 627 N C -0.134 175.344 175.510 -0.053 0.000 1.413 627 N CA -0.102 52.836 53.050 -0.188 0.000 0.821 627 N CB 0.278 38.216 38.487 -0.916 0.000 1.380 627 N HN 0.436 nan 8.380 nan 0.000 0.493 628 Q N -0.224 119.612 119.800 0.060 0.000 2.631 628 Q HA 0.326 4.666 4.340 -0.000 0.000 0.220 628 Q C 1.528 177.528 176.000 0.000 0.000 0.819 628 Q CA 0.846 56.648 55.803 -0.002 0.000 0.914 628 Q CB 0.277 28.983 28.738 -0.052 0.000 1.248 628 Q HN 0.165 nan 8.270 nan 0.000 0.629 629 V N 0.821 120.748 119.914 0.022 0.000 2.251 629 V HA -0.118 4.002 4.120 -0.000 0.000 0.237 629 V C 2.417 178.368 176.094 -0.237 0.000 1.040 629 V CA 1.560 63.811 62.300 -0.082 0.000 1.005 629 V CB -0.861 30.925 31.823 -0.060 0.000 0.645 629 V HN 0.024 nan 8.190 nan 0.000 0.458 630 V N -1.736 117.899 119.914 -0.465 0.000 2.358 630 V HA -0.120 4.000 4.120 -0.000 0.000 0.246 630 V C 0.768 176.322 176.094 -0.901 0.000 1.047 630 V CA 1.524 63.333 62.300 -0.819 0.000 1.035 630 V CB -0.610 30.473 31.823 -1.234 0.000 0.658 630 V HN 0.489 nan 8.190 nan 0.000 0.452 631 Y N -1.422 118.517 120.300 -0.602 0.000 2.570 631 Y HA 0.690 5.240 4.550 -0.000 0.000 0.345 631 Y C -0.142 175.717 175.900 -0.068 0.000 1.014 631 Y CA -1.267 56.682 58.100 -0.252 0.000 1.063 631 Y CB 1.542 39.901 38.460 -0.168 0.000 1.272 631 Y HN 0.006 nan 8.280 nan 0.000 0.477 632 Q N 0.596 120.438 119.800 0.071 0.000 2.309 632 Q HA 0.308 4.648 4.340 -0.000 0.000 0.264 632 Q C -1.352 174.637 176.000 -0.018 0.000 1.008 632 Q CA -0.970 54.843 55.803 0.017 0.000 0.853 632 Q CB 1.511 30.243 28.738 -0.010 0.000 1.314 632 Q HN 0.576 nan 8.270 nan 0.000 0.448 633 Y N 4.260 124.427 120.300 -0.222 0.000 2.805 633 Y HA 0.008 4.558 4.550 -0.000 0.000 0.337 633 Y C -1.210 174.621 175.900 -0.115 0.000 1.252 633 Y CA -0.778 57.142 58.100 -0.300 0.000 1.515 633 Y CB 0.685 38.927 38.460 -0.364 0.000 1.305 633 Y HN 0.584 nan 8.280 nan 0.000 0.600 634 P HA -0.007 nan 4.420 nan 0.000 0.256 634 P C -1.026 176.071 177.300 -0.339 0.000 1.335 634 P CA 0.409 62.832 63.100 -1.129 0.000 0.808 634 P CB 0.000 31.208 31.700 -0.821 0.000 1.305 635 N N 0.503 119.085 118.700 -0.197 0.000 2.456 635 N HA 0.237 4.977 4.740 -0.000 0.000 0.288 635 N C -0.647 174.880 175.510 0.029 0.000 1.059 635 N CA -0.005 53.060 53.050 0.024 0.000 0.946 635 N CB 0.702 39.221 38.487 0.053 0.000 1.150 635 N HN 0.033 nan 8.380 nan 0.000 0.479 636 W N 1.473 122.748 121.300 -0.043 0.000 2.864 636 W HA 0.483 5.143 4.660 -0.000 0.000 0.343 636 W C -0.364 176.183 176.519 0.046 0.000 1.109 636 W CA -0.692 56.669 57.345 0.026 0.000 1.192 636 W CB 0.583 30.000 29.460 -0.072 0.000 1.426 636 W HN 0.424 nan 8.180 nan 0.000 0.529 637 Y N -0.350 120.074 120.300 0.206 0.000 2.597 637 Y HA 0.808 5.358 4.550 -0.000 0.000 0.340 637 Y C -2.026 174.050 175.900 0.292 0.000 1.097 637 Y CA -2.571 55.603 58.100 0.122 0.000 1.037 637 Y CB 1.590 40.036 38.460 -0.023 0.000 1.305 637 Y HN 0.485 nan 8.280 nan 0.000 0.463 638 Y N 0.647 121.027 120.300 0.133 0.000 2.521 638 Y HA 0.370 4.920 4.550 -0.000 0.000 0.328 638 Y C -1.856 174.189 175.900 0.241 0.000 1.151 638 Y CA -1.328 56.793 58.100 0.035 0.000 1.054 638 Y CB 1.828 40.227 38.460 -0.103 0.000 1.338 638 Y HN 0.800 nan 8.280 nan 0.000 0.453 639 D N 3.889 124.278 120.400 -0.019 0.000 2.232 639 D HA 0.567 5.207 4.640 -0.000 0.000 0.242 639 D C -0.971 175.452 176.300 0.205 0.000 1.093 639 D CA 0.021 54.130 54.000 0.181 0.000 0.845 639 D CB 2.023 42.959 40.800 0.227 0.000 1.124 639 D HN 0.222 nan 8.370 nan 0.000 0.467 640 V N 0.972 121.078 119.914 0.320 0.000 2.709 640 V HA 0.297 4.417 4.120 -0.000 0.000 0.308 640 V C 0.224 176.469 176.094 0.252 0.000 1.062 640 V CA -0.965 61.508 62.300 0.289 0.000 0.901 640 V CB 2.078 34.048 31.823 0.245 0.000 1.003 640 V HN 0.483 nan 8.190 nan 0.000 0.425 641 S N 3.451 119.258 115.700 0.178 0.000 2.448 641 S HA 0.606 5.076 4.470 -0.000 0.000 0.279 641 S C -0.418 174.254 174.600 0.121 0.000 1.195 641 S CA -0.371 57.905 58.200 0.127 0.000 1.051 641 S CB 0.247 63.485 63.200 0.063 0.000 0.948 641 S HN 1.101 nan 8.310 nan 0.000 0.493 642 V N 3.209 123.209 119.914 0.143 0.000 3.040 642 V HA 0.807 4.927 4.120 -0.000 0.000 0.312 642 V C -2.816 173.332 176.094 0.089 0.000 1.115 642 V CA -2.850 59.532 62.300 0.136 0.000 0.998 642 V CB 1.779 33.754 31.823 0.254 0.000 1.042 642 V HN 0.659 nan 8.190 nan 0.000 0.433 643 P HA 0.223 nan 4.420 nan 0.000 0.267 643 P C 0.042 177.351 177.300 0.017 0.000 1.209 643 P CA 0.527 63.642 63.100 0.025 0.000 0.763 643 P CB 0.850 32.556 31.700 0.010 0.000 0.816 644 A N 3.676 126.506 122.820 0.017 0.000 2.540 644 A HA 0.390 4.710 4.320 -0.000 0.000 0.239 644 A C 1.649 179.227 177.584 -0.011 0.000 1.061 644 A CA 0.707 52.752 52.037 0.013 0.000 0.758 644 A CB -1.283 17.727 19.000 0.017 0.000 0.991 644 A HN 0.860 nan 8.150 nan 0.000 0.502 645 G N 1.386 110.171 108.800 -0.024 0.000 2.196 645 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.268 645 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.268 645 G C 0.339 175.197 174.900 -0.069 0.000 0.975 645 G CA 0.843 45.919 45.100 -0.040 0.000 0.648 645 G HN 0.775 nan 8.290 nan 0.000 0.538 646 K N 0.993 121.339 120.400 -0.091 0.000 2.218 646 K HA 0.441 4.761 4.320 -0.000 0.000 0.276 646 K C 0.180 176.665 176.600 -0.191 0.000 1.022 646 K CA -0.124 56.102 56.287 -0.102 0.000 0.946 646 K CB 0.981 33.439 32.500 -0.070 0.000 1.000 646 K HN 0.099 nan 8.250 nan 0.000 0.468 647 T N 3.601 118.077 114.554 -0.131 0.000 2.749 647 T HA 0.406 4.755 4.350 -0.000 0.000 0.295 647 T C 0.446 175.091 174.700 -0.092 0.000 0.936 647 T CA -0.298 61.716 62.100 -0.143 0.000 1.060 647 T CB 0.064 68.904 68.868 -0.046 0.000 0.904 647 T HN 0.295 nan 8.240 nan 0.000 0.500 648 I N 2.959 123.449 120.570 -0.133 0.000 2.509 648 I HA 0.372 4.542 4.170 -0.000 0.000 0.293 648 I C 0.283 176.628 176.117 0.379 0.000 1.020 648 I CA -0.879 60.475 61.300 0.089 0.000 1.088 648 I CB 2.136 40.200 38.000 0.107 0.000 1.267 648 I HN 0.471 nan 8.210 nan 0.000 0.430 649 E N 5.714 126.129 120.200 0.359 0.000 2.204 649 E HA 0.611 4.961 4.350 -0.000 0.000 0.276 649 E C -1.380 175.517 176.600 0.494 0.000 0.974 649 E CA -0.519 56.155 56.400 0.458 0.000 0.815 649 E CB 2.175 32.144 29.700 0.447 0.000 1.119 649 E HN 0.411 nan 8.360 nan 0.000 0.393 650 F N -0.468 119.677 119.950 0.325 0.000 2.711 650 F HA 0.685 5.212 4.527 -0.000 0.000 0.313 650 F C -1.054 174.920 175.800 0.290 0.000 1.141 650 F CA -1.141 56.939 58.000 0.134 0.000 0.941 650 F CB 1.427 40.389 39.000 -0.063 0.000 1.349 650 F HN 0.133 nan 8.300 nan 0.000 0.464 651 K N 0.479 121.019 120.400 0.234 0.000 2.533 651 K HA 0.608 4.928 4.320 -0.000 0.000 0.272 651 K C -2.083 174.428 176.600 -0.149 0.000 0.985 651 K CA -0.750 55.621 56.287 0.140 0.000 0.876 651 K CB 2.790 35.526 32.500 0.394 0.000 1.452 651 K HN 0.555 nan 8.250 nan 0.000 0.439 652 F N 1.270 121.309 119.950 0.148 0.000 2.483 652 F HA 0.568 5.095 4.527 -0.000 0.000 0.329 652 F C -0.001 175.855 175.800 0.093 0.000 1.064 652 F CA -0.706 57.374 58.000 0.135 0.000 0.986 652 F CB 1.034 40.190 39.000 0.259 0.000 1.218 652 F HN 0.065 nan 8.300 nan 0.000 0.484 653 L N 1.260 122.650 121.223 0.278 0.000 2.371 653 L HA 0.564 4.904 4.340 -0.000 0.000 0.262 653 L C -1.000 175.963 176.870 0.156 0.000 1.006 653 L CA -1.083 53.812 54.840 0.091 0.000 0.818 653 L CB 2.412 44.291 42.059 -0.300 0.000 1.354 653 L HN 0.460 nan 8.230 nan 0.000 0.415 654 K N 2.113 122.563 120.400 0.083 0.000 2.394 654 K HA 0.522 4.842 4.320 -0.000 0.000 0.260 654 K C -1.216 175.357 176.600 -0.046 0.000 0.967 654 K CA -0.685 55.569 56.287 -0.054 0.000 0.855 654 K CB 1.943 34.351 32.500 -0.154 0.000 1.101 654 K HN 0.409 nan 8.250 nan 0.000 0.433 655 K N 2.279 122.666 120.400 -0.021 0.000 2.270 655 K HA 0.234 4.554 4.320 -0.000 0.000 0.255 655 K C -0.884 175.714 176.600 -0.004 0.000 0.936 655 K CA -0.884 55.350 56.287 -0.087 0.000 0.809 655 K CB 1.989 34.278 32.500 -0.352 0.000 1.131 655 K HN 0.258 nan 8.250 nan 0.000 0.427 656 Q N 1.798 121.586 119.800 -0.019 0.000 2.401 656 Q HA 0.374 4.714 4.340 -0.000 0.000 0.260 656 Q C 0.174 176.170 176.000 -0.007 0.000 1.034 656 Q CA 0.382 56.191 55.803 0.011 0.000 0.737 656 Q CB 1.209 29.955 28.738 0.014 0.000 1.227 656 Q HN 0.826 nan 8.270 nan 0.000 0.488 657 G N 2.277 111.077 108.800 0.000 0.000 2.556 657 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.283 657 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.283 657 G C 0.547 175.413 174.900 -0.056 0.000 1.177 657 G CA 0.403 45.496 45.100 -0.012 0.000 0.978 657 G HN 1.256 nan 8.290 nan 0.000 0.554 658 S N -0.744 114.927 115.700 -0.048 0.000 2.577 658 S HA 0.435 4.905 4.470 -0.000 0.000 0.219 658 S C 0.768 175.334 174.600 -0.058 0.000 0.962 658 S CA 1.154 59.312 58.200 -0.070 0.000 0.921 658 S CB 0.301 63.475 63.200 -0.044 0.000 0.789 658 S HN 0.929 nan 8.310 nan 0.000 0.497 659 T N 2.858 117.388 114.554 -0.040 0.000 2.814 659 T HA 0.484 4.834 4.350 -0.000 0.000 0.297 659 T C -0.380 174.297 174.700 -0.038 0.000 0.956 659 T CA -0.178 61.911 62.100 -0.017 0.000 1.123 659 T CB 1.126 69.995 68.868 0.001 0.000 0.902 659 T HN 0.150 nan 8.240 nan 0.000 0.528 660 V N 3.865 123.770 119.914 -0.016 0.000 2.555 660 V HA 0.527 4.647 4.120 -0.000 0.000 0.302 660 V C 0.179 176.296 176.094 0.039 0.000 1.038 660 V CA -0.820 61.447 62.300 -0.054 0.000 0.887 660 V CB 2.226 33.978 31.823 -0.118 0.000 0.991 660 V HN 0.911 nan 8.190 nan 0.000 0.434 661 T N 3.539 118.109 114.554 0.027 0.000 2.809 661 T HA 0.440 4.790 4.350 -0.000 0.000 0.284 661 T C -0.892 173.942 174.700 0.224 0.000 0.992 661 T CA -0.269 61.935 62.100 0.174 0.000 0.957 661 T CB 0.661 69.635 68.868 0.175 0.000 0.942 661 T HN 0.544 nan 8.240 nan 0.000 0.439 662 W N 1.809 123.205 121.300 0.159 0.000 2.381 662 W HA 0.410 5.070 4.660 -0.000 0.000 0.329 662 W C 0.890 177.405 176.519 -0.006 0.000 1.157 662 W CA -0.878 56.523 57.345 0.094 0.000 1.240 662 W CB 0.453 29.915 29.460 0.004 0.000 1.199 662 W HN 0.575 nan 8.180 nan 0.000 0.579 663 E N 0.761 120.925 120.200 -0.061 0.000 2.415 663 E HA 0.198 4.548 4.350 -0.000 0.000 0.262 663 E C 0.685 177.174 176.600 -0.185 0.000 1.038 663 E CA 0.095 56.144 56.400 -0.586 0.000 0.921 663 E CB 0.670 29.983 29.700 -0.646 0.000 0.950 663 E HN 0.638 nan 8.360 nan 0.000 0.438 664 G N 1.113 109.791 108.800 -0.204 0.000 2.510 664 G HA2 0.511 4.470 3.960 -0.000 0.000 0.280 664 G HA3 0.511 4.470 3.960 -0.000 0.000 0.280 664 G C 0.289 175.089 174.900 -0.167 0.000 1.386 664 G CA 0.008 45.041 45.100 -0.113 0.000 1.047 664 G HN 0.814 nan 8.290 nan 0.000 0.527 665 G N -1.327 107.390 108.800 -0.138 0.000 2.697 665 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.240 665 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.240 665 G C 0.310 175.095 174.900 -0.192 0.000 1.346 665 G CA 0.130 45.136 45.100 -0.157 0.000 0.887 665 G HN 1.355 nan 8.290 nan 0.000 0.569 666 S N 0.794 116.374 115.700 -0.200 0.000 2.617 666 S HA 0.469 4.939 4.470 -0.000 0.000 0.269 666 S C 0.732 175.170 174.600 -0.269 0.000 1.292 666 S CA -0.656 57.424 58.200 -0.201 0.000 1.010 666 S CB 0.743 63.852 63.200 -0.151 0.000 0.944 666 S HN 0.704 nan 8.310 nan 0.000 0.536 667 N N 1.956 120.535 118.700 -0.201 0.000 2.416 667 N HA 0.047 4.787 4.740 -0.000 0.000 0.246 667 N C -0.061 175.290 175.510 -0.265 0.000 1.260 667 N CA 0.368 53.323 53.050 -0.159 0.000 0.897 667 N CB 0.103 38.621 38.487 0.051 0.000 1.110 667 N HN 0.556 nan 8.380 nan 0.000 0.439 668 H N 0.161 119.028 119.070 -0.338 0.000 2.546 668 H HA 0.368 4.923 4.556 -0.000 0.000 0.365 668 H C -0.008 175.142 175.328 -0.296 0.000 1.220 668 H CA 0.347 56.096 56.048 -0.497 0.000 1.386 668 H CB 1.006 30.059 29.762 -1.181 0.000 1.510 668 H HN 0.353 nan 8.280 nan 0.000 0.591 669 T N 2.288 116.948 114.554 0.176 0.000 2.916 669 T HA 0.447 4.797 4.350 -0.000 0.000 0.305 669 T C -1.077 173.997 174.700 0.623 0.000 1.119 669 T CA -0.726 61.620 62.100 0.410 0.000 1.008 669 T CB 1.414 70.419 68.868 0.229 0.000 1.129 669 T HN 0.521 nan 8.240 nan 0.000 0.480 670 F N -1.026 119.139 119.950 0.358 0.000 2.773 670 F HA 0.772 5.299 4.527 -0.000 0.000 0.314 670 F C -1.629 174.265 175.800 0.156 0.000 1.160 670 F CA -0.919 57.222 58.000 0.234 0.000 0.920 670 F CB 0.891 40.023 39.000 0.220 0.000 1.323 670 F HN 0.424 nan 8.300 nan 0.000 0.457 671 T N 2.347 116.718 114.554 -0.305 0.000 2.809 671 T HA 0.770 5.120 4.350 -0.000 0.000 0.284 671 T C -0.170 174.278 174.700 -0.419 0.000 0.992 671 T CA -0.201 61.638 62.100 -0.436 0.000 0.957 671 T CB 1.209 69.997 68.868 -0.133 0.000 0.942 671 T HN 0.950 nan 8.240 nan 0.000 0.439 672 A N 5.747 128.240 122.820 -0.544 0.000 2.445 672 A HA 0.577 4.897 4.320 -0.000 0.000 0.242 672 A C -1.959 175.618 177.584 -0.012 0.000 1.075 672 A CA -1.185 50.776 52.037 -0.126 0.000 0.777 672 A CB -0.273 18.689 19.000 -0.062 0.000 1.013 672 A HN 0.544 nan 8.150 nan 0.000 0.493 673 P HA 0.049 nan 4.420 nan 0.000 0.271 673 P C 0.669 177.991 177.300 0.037 0.000 1.233 673 P CA 0.305 63.437 63.100 0.054 0.000 0.789 673 P CB 0.812 32.558 31.700 0.077 0.000 0.951 674 S N -0.202 115.516 115.700 0.030 0.000 2.470 674 S HA 0.066 4.536 4.470 -0.000 0.000 0.225 674 S C 0.806 175.424 174.600 0.030 0.000 1.006 674 S CA 0.499 58.713 58.200 0.022 0.000 0.934 674 S CB -0.599 62.611 63.200 0.017 0.000 0.778 674 S HN 0.781 nan 8.310 nan 0.000 0.517 675 S N -1.363 114.362 115.700 0.043 0.000 2.595 675 S HA 0.668 5.138 4.470 -0.000 0.000 0.270 675 S C 0.104 174.746 174.600 0.070 0.000 1.145 675 S CA -0.380 57.850 58.200 0.051 0.000 0.825 675 S CB 0.782 64.005 63.200 0.039 0.000 1.107 675 S HN 1.747 nan 8.310 nan 0.000 0.461 676 G N 0.880 109.734 108.800 0.090 0.000 2.642 676 G HA2 0.209 4.169 3.960 -0.000 0.000 0.231 676 G HA3 0.209 4.169 3.960 -0.000 0.000 0.231 676 G C 0.023 175.000 174.900 0.128 0.000 1.338 676 G CA 0.477 45.642 45.100 0.109 0.000 0.883 676 G HN 2.310 nan 8.290 nan 0.000 0.570 677 T N -2.428 112.200 114.554 0.123 0.000 2.870 677 T HA 1.040 5.390 4.350 -0.000 0.000 0.277 677 T C 0.204 174.960 174.700 0.093 0.000 1.000 677 T CA 0.517 62.696 62.100 0.131 0.000 0.982 677 T CB 1.812 70.767 68.868 0.144 0.000 1.249 677 T HN 2.675 nan 8.240 nan 0.000 0.589 678 A N -0.169 122.697 122.820 0.077 0.000 2.586 678 A HA 0.681 5.001 4.320 -0.000 0.000 0.291 678 A C -0.817 176.751 177.584 -0.027 0.000 1.062 678 A CA -0.926 51.132 52.037 0.035 0.000 0.666 678 A CB 1.188 20.222 19.000 0.057 0.000 1.281 678 A HN 0.896 nan 8.150 nan 0.000 0.421 679 T N 2.110 116.628 114.554 -0.060 0.000 2.881 679 T HA 0.526 4.876 4.350 -0.000 0.000 0.291 679 T C -0.778 173.809 174.700 -0.188 0.000 0.990 679 T CA -0.253 61.780 62.100 -0.112 0.000 0.976 679 T CB 0.649 69.507 68.868 -0.017 0.000 0.970 679 T HN 0.455 nan 8.240 nan 0.000 0.438 680 I N 4.046 124.385 120.570 -0.385 0.000 2.328 680 I HA 0.376 4.546 4.170 -0.000 0.000 0.287 680 I C 0.142 176.143 176.117 -0.193 0.000 1.012 680 I CA -0.786 60.282 61.300 -0.387 0.000 1.195 680 I CB 0.840 38.292 38.000 -0.913 0.000 1.350 680 I HN 0.522 nan 8.210 nan 0.000 0.464 681 N N 7.049 125.705 118.700 -0.073 0.000 2.446 681 N HA 0.549 5.289 4.740 -0.000 0.000 0.265 681 N C -0.832 174.690 175.510 0.019 0.000 0.975 681 N CA -0.140 52.887 53.050 -0.039 0.000 0.928 681 N CB 2.081 40.548 38.487 -0.033 0.000 1.160 681 N HN 0.465 nan 8.380 nan 0.000 0.495 682 V N 1.156 121.085 119.914 0.024 0.000 3.158 682 V HA 0.691 4.811 4.120 -0.000 0.000 0.311 682 V C -0.508 175.601 176.094 0.024 0.000 1.181 682 V CA -1.087 61.230 62.300 0.028 0.000 1.054 682 V CB 2.033 33.798 31.823 -0.096 0.000 1.085 682 V HN 0.460 nan 8.190 nan 0.000 0.446 683 N N 1.436 120.195 118.700 0.098 0.000 2.443 683 N HA 0.252 4.992 4.740 -0.000 0.000 0.295 683 N C -0.795 174.849 175.510 0.224 0.000 1.076 683 N CA -0.301 52.832 53.050 0.139 0.000 0.919 683 N CB 1.895 40.467 38.487 0.141 0.000 1.176 683 N HN 1.018 nan 8.380 nan 0.000 0.487 684 W N 2.572 123.905 121.300 0.054 0.000 2.322 684 W HA 0.033 4.693 4.660 -0.000 0.000 0.328 684 W C -0.777 175.825 176.519 0.140 0.000 1.395 684 W CA 0.120 57.528 57.345 0.105 0.000 1.267 684 W CB 0.277 29.748 29.460 0.019 0.000 1.259 684 W HN 0.417 nan 8.180 nan 0.000 0.560 685 Q N 8.708 128.265 119.800 -0.405 0.000 2.331 685 Q HA 0.230 4.570 4.340 -0.000 0.000 0.257 685 Q C -1.720 174.051 176.000 -0.382 0.000 0.957 685 Q CA -1.779 53.863 55.803 -0.269 0.000 0.923 685 Q CB 1.561 30.157 28.738 -0.236 0.000 1.212 685 Q HN 0.254 nan 8.270 nan 0.000 0.443 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.211 63.100 0.185 0.000 0.800 686 P CB 0.000 31.831 31.700 0.218 0.000 0.726