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 1pj9_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FNDRFSDGNP ANNPTGAAFD GTcTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG VTAIWISQPV ENIYSIINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTIADFQN LIAAAHAKNI KVIIDFAPNH TSPASSDQPS DATA SEQUENCE FAENGRLYDN GTLLGGYTND TQNLFHHNGG TDFSSYEDGI YRNLYDLADL 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 0.000 177.566 177.584 -0.030 0.000 1.274 1 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 1 A CB 0.000 18.974 19.000 -0.044 0.000 0.831 2 P HA 0.224 nan 4.420 nan 0.000 0.276 2 P C -0.058 177.209 177.300 -0.055 0.000 1.252 2 P CA 0.162 63.237 63.100 -0.041 0.000 0.802 2 P CB 0.737 32.409 31.700 -0.046 0.000 1.035 3 D N 0.242 120.615 120.400 -0.045 0.000 2.221 3 D HA -0.157 4.483 4.640 -0.000 0.000 0.204 3 D C 1.148 177.394 176.300 -0.089 0.000 0.982 3 D CA 1.944 55.917 54.000 -0.046 0.000 0.857 3 D CB -1.396 39.409 40.800 0.008 0.000 0.934 3 D HN 0.447 nan 8.370 nan 0.000 0.475 4 T N -2.626 111.868 114.554 -0.099 0.000 3.148 4 T HA 0.047 4.397 4.350 -0.000 0.000 0.253 4 T C 1.045 175.653 174.700 -0.153 0.000 1.134 4 T CA -0.045 61.970 62.100 -0.141 0.000 1.051 4 T CB -0.232 68.559 68.868 -0.129 0.000 0.959 4 T HN 0.141 nan 8.240 nan 0.000 0.525 5 S N 0.520 116.139 115.700 -0.134 0.000 2.568 5 S HA 0.139 4.609 4.470 -0.000 0.000 0.282 5 S C 1.463 175.953 174.600 -0.184 0.000 1.338 5 S CA -0.329 57.789 58.200 -0.137 0.000 1.045 5 S CB 1.124 64.257 63.200 -0.111 0.000 0.873 5 S HN 0.239 nan 8.310 nan 0.000 0.516 6 V N 4.502 124.306 119.914 -0.183 0.000 2.720 6 V HA -0.073 4.047 4.120 -0.000 0.000 0.256 6 V C 2.231 178.164 176.094 -0.269 0.000 1.082 6 V CA 2.499 64.662 62.300 -0.227 0.000 1.101 6 V CB -0.875 30.834 31.823 -0.189 0.000 0.693 6 V HN 1.040 nan 8.190 nan 0.000 0.479 7 S N 0.002 115.570 115.700 -0.220 0.000 2.522 7 S HA -0.024 4.446 4.470 -0.000 0.000 0.227 7 S C 1.132 175.642 174.600 -0.150 0.000 0.986 7 S CA 0.491 58.573 58.200 -0.197 0.000 0.929 7 S CB -0.699 62.418 63.200 -0.140 0.000 0.769 7 S HN 0.626 nan 8.310 nan 0.000 0.529 8 N N 2.323 120.923 118.700 -0.167 0.000 2.466 8 N HA 0.188 4.928 4.740 -0.000 0.000 0.263 8 N C 0.327 175.763 175.510 -0.123 0.000 1.178 8 N CA 0.027 52.997 53.050 -0.134 0.000 0.983 8 N CB 0.457 38.847 38.487 -0.161 0.000 1.331 8 N HN 0.437 nan 8.380 nan 0.000 0.500 9 K N 1.782 122.183 120.400 0.001 0.000 2.418 9 K HA -0.007 4.313 4.320 -0.000 0.000 0.195 9 K C 0.700 177.486 176.600 0.310 0.000 1.035 9 K CA 0.649 57.037 56.287 0.169 0.000 1.003 9 K CB 0.464 33.062 32.500 0.164 0.000 0.793 9 K HN 0.409 nan 8.250 nan 0.000 0.494 10 Q N 0.149 120.067 119.800 0.196 0.000 2.392 10 Q HA 0.077 4.417 4.340 -0.000 0.000 0.203 10 Q C -0.267 175.895 176.000 0.271 0.000 0.917 10 Q CA 0.301 56.267 55.803 0.272 0.000 0.939 10 Q CB 0.429 29.284 28.738 0.196 0.000 1.063 10 Q HN 0.046 nan 8.270 nan 0.000 0.516 11 N N -0.617 118.110 118.700 0.045 0.000 2.480 11 N HA 0.183 4.923 4.740 -0.000 0.000 0.289 11 N C -1.403 173.882 175.510 -0.376 0.000 1.073 11 N CA -0.306 52.558 53.050 -0.309 0.000 0.885 11 N CB 0.526 38.790 38.487 -0.373 0.000 1.421 11 N HN -0.117 nan 8.380 nan 0.000 0.503 12 F N 1.071 120.543 119.950 -0.797 0.000 2.683 12 F HA 0.299 4.826 4.527 -0.000 0.000 0.306 12 F C 1.841 177.323 175.800 -0.529 0.000 1.102 12 F CA -0.122 57.487 58.000 -0.651 0.000 1.244 12 F CB 0.460 38.957 39.000 -0.839 0.000 1.029 12 F HN 0.413 nan 8.300 nan 0.000 0.545 13 S N -0.624 114.849 115.700 -0.379 0.000 2.447 13 S HA -0.141 4.329 4.470 -0.000 0.000 0.233 13 S C 2.134 176.520 174.600 -0.356 0.000 1.006 13 S CA 1.727 59.742 58.200 -0.309 0.000 0.957 13 S CB -0.439 62.634 63.200 -0.213 0.000 0.773 13 S HN 0.523 nan 8.310 nan 0.000 0.507 14 T N -0.691 113.641 114.554 -0.371 0.000 3.107 14 T HA 0.163 4.513 4.350 -0.000 0.000 0.249 14 T C 0.086 174.622 174.700 -0.273 0.000 1.096 14 T CA -0.266 61.617 62.100 -0.361 0.000 1.012 14 T CB 0.035 68.697 68.868 -0.342 0.000 0.977 14 T HN 0.061 nan 8.240 nan 0.000 0.527 15 D N 0.728 120.979 120.400 -0.249 0.000 2.384 15 D HA 0.544 5.184 4.640 -0.000 0.000 0.250 15 D C -0.907 175.330 176.300 -0.105 0.000 1.029 15 D CA -0.497 53.395 54.000 -0.180 0.000 0.990 15 D CB 2.541 43.222 40.800 -0.198 0.000 1.175 15 D HN 0.013 nan 8.370 nan 0.000 0.532 16 V N 1.784 121.666 119.914 -0.054 0.000 2.443 16 V HA 0.314 4.434 4.120 -0.000 0.000 0.293 16 V C 0.108 176.248 176.094 0.077 0.000 1.021 16 V CA -0.652 61.641 62.300 -0.012 0.000 0.848 16 V CB 1.540 33.336 31.823 -0.045 0.000 0.998 16 V HN 0.356 nan 8.190 nan 0.000 0.424 17 I N 4.654 125.306 120.570 0.137 0.000 2.428 17 I HA 0.325 4.495 4.170 -0.000 0.000 0.289 17 I C -0.831 175.455 176.117 0.282 0.000 1.019 17 I CA -0.473 60.974 61.300 0.246 0.000 1.351 17 I CB 0.900 39.074 38.000 0.291 0.000 1.412 17 I HN 0.586 nan 8.210 nan 0.000 0.513 18 Y N 5.951 126.340 120.300 0.148 0.000 2.328 18 Y HA 0.233 4.783 4.550 -0.000 0.000 0.333 18 Y C -0.040 175.919 175.900 0.098 0.000 0.958 18 Y CA -0.582 57.576 58.100 0.096 0.000 1.167 18 Y CB 1.031 39.511 38.460 0.033 0.000 1.151 18 Y HN 0.491 nan 8.280 nan 0.000 0.470 19 Q N 7.287 126.972 119.800 -0.193 0.000 2.323 19 Q HA 0.373 4.713 4.340 -0.000 0.000 0.257 19 Q C -1.172 174.589 176.000 -0.399 0.000 1.022 19 Q CA -0.193 55.414 55.803 -0.327 0.000 0.919 19 Q CB 0.388 28.831 28.738 -0.491 0.000 1.220 19 Q HN 0.764 nan 8.270 nan 0.000 0.427 20 I N 4.129 124.479 120.570 -0.367 0.000 2.336 20 I HA 0.181 4.351 4.170 -0.000 0.000 0.292 20 I C -0.511 175.397 176.117 -0.349 0.000 0.991 20 I CA -0.658 60.396 61.300 -0.410 0.000 1.227 20 I CB 0.766 38.506 38.000 -0.434 0.000 1.366 20 I HN 0.573 nan 8.210 nan 0.000 0.466 21 F N 6.777 126.355 119.950 -0.619 0.000 2.406 21 F HA 0.254 4.781 4.527 -0.000 0.000 0.358 21 F C 1.396 176.964 175.800 -0.388 0.000 1.161 21 F CA -0.321 57.415 58.000 -0.441 0.000 1.185 21 F CB -0.132 38.659 39.000 -0.348 0.000 1.421 21 F HN 0.446 nan 8.300 nan 0.000 0.576 22 N N 2.070 120.548 118.700 -0.370 0.000 2.106 22 N HA -0.335 4.405 4.740 -0.000 0.000 0.200 22 N C 1.644 177.114 175.510 -0.066 0.000 1.014 22 N CA 2.232 55.108 53.050 -0.291 0.000 0.891 22 N CB -0.521 37.496 38.487 -0.784 0.000 1.069 22 N HN 0.621 nan 8.380 nan 0.000 0.490 23 D N -0.268 120.139 120.400 0.011 0.000 2.221 23 D HA -0.080 4.560 4.640 -0.000 0.000 0.204 23 D C 0.985 177.379 176.300 0.156 0.000 0.982 23 D CA 0.843 54.956 54.000 0.188 0.000 0.857 23 D CB 0.207 41.178 40.800 0.283 0.000 0.934 23 D HN 0.109 nan 8.370 nan 0.000 0.475 24 R N -0.778 119.790 120.500 0.113 0.000 2.432 24 R HA 0.120 4.460 4.340 -0.000 0.000 0.260 24 R C 0.791 177.123 176.300 0.054 0.000 0.935 24 R CA -0.162 55.979 56.100 0.068 0.000 1.080 24 R CB -0.314 30.041 30.300 0.092 0.000 1.155 24 R HN 0.272 nan 8.270 nan 0.000 0.531 25 F N 0.367 120.254 119.950 -0.105 0.000 2.287 25 F HA 0.301 4.828 4.527 -0.000 0.000 0.276 25 F C 0.278 176.181 175.800 0.171 0.000 1.047 25 F CA 0.187 58.193 58.000 0.011 0.000 1.194 25 F CB 0.344 39.342 39.000 -0.004 0.000 1.118 25 F HN -0.196 nan 8.300 nan 0.000 0.556 26 S N -0.001 115.770 115.700 0.118 0.000 2.626 26 S HA 0.219 4.689 4.470 -0.000 0.000 0.275 26 S C -1.883 172.775 174.600 0.097 0.000 1.175 26 S CA -0.791 57.428 58.200 0.031 0.000 0.982 26 S CB 0.711 63.832 63.200 -0.131 0.000 1.093 26 S HN 0.238 nan 8.310 nan 0.000 0.472 27 D N 3.601 124.056 120.400 0.091 0.000 2.453 27 D HA 0.410 5.050 4.640 -0.000 0.000 0.223 27 D C 1.204 177.549 176.300 0.076 0.000 1.183 27 D CA 0.086 54.148 54.000 0.103 0.000 0.933 27 D CB 0.546 41.420 40.800 0.124 0.000 1.038 27 D HN 0.675 nan 8.370 nan 0.000 0.513 28 G N 3.217 112.064 108.800 0.078 0.000 2.683 28 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.213 28 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.213 28 G C 0.654 175.587 174.900 0.055 0.000 1.142 28 G CA -0.239 44.898 45.100 0.061 0.000 0.793 28 G HN 0.470 nan 8.290 nan 0.000 0.534 29 N N -0.270 118.464 118.700 0.056 0.000 2.648 29 N HA 0.339 5.079 4.740 -0.000 0.000 0.261 29 N C -2.323 173.195 175.510 0.014 0.000 1.138 29 N CA -1.919 51.153 53.050 0.036 0.000 0.804 29 N CB 2.142 40.656 38.487 0.044 0.000 1.237 29 N HN -0.236 nan 8.380 nan 0.000 0.532 30 P HA -0.013 nan 4.420 nan 0.000 0.222 30 P C 0.876 178.129 177.300 -0.079 0.000 1.147 30 P CA 0.802 63.887 63.100 -0.024 0.000 0.790 30 P CB 0.335 32.032 31.700 -0.005 0.000 0.780 31 A N 0.888 123.674 122.820 -0.056 0.000 2.019 31 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 31 A C 1.712 179.236 177.584 -0.099 0.000 1.164 31 A CA 1.801 53.795 52.037 -0.071 0.000 0.644 31 A CB -1.317 17.659 19.000 -0.040 0.000 0.805 31 A HN 0.325 nan 8.150 nan 0.000 0.449 32 N N -0.308 118.337 118.700 -0.092 0.000 2.270 32 N HA 0.020 4.760 4.740 -0.000 0.000 0.198 32 N C -0.589 174.811 175.510 -0.184 0.000 1.117 32 N CA -0.328 52.652 53.050 -0.117 0.000 0.845 32 N CB -0.495 37.945 38.487 -0.078 0.000 0.980 32 N HN 0.173 nan 8.380 nan 0.000 0.486 33 N N 2.164 120.722 118.700 -0.237 0.000 2.492 33 N HA 0.189 4.929 4.740 -0.000 0.000 0.262 33 N C -2.232 172.996 175.510 -0.469 0.000 1.202 33 N CA -0.926 51.895 53.050 -0.381 0.000 0.926 33 N CB 0.234 38.322 38.487 -0.666 0.000 1.078 33 N HN 0.206 nan 8.380 nan 0.000 0.454 34 P HA 0.093 nan 4.420 nan 0.000 0.271 34 P C 0.045 177.153 177.300 -0.321 0.000 1.244 34 P CA -0.059 62.832 63.100 -0.349 0.000 0.793 34 P CB 0.519 31.976 31.700 -0.407 0.000 0.984 35 T N -2.959 111.501 114.554 -0.156 0.000 2.910 35 T HA 0.683 5.033 4.350 -0.000 0.000 0.287 35 T C 0.561 175.291 174.700 0.049 0.000 1.050 35 T CA -0.077 61.970 62.100 -0.088 0.000 1.011 35 T CB 1.187 69.990 68.868 -0.108 0.000 1.195 35 T HN 0.720 nan 8.240 nan 0.000 0.540 36 G N 0.891 109.737 108.800 0.076 0.000 2.574 36 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.286 36 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.286 36 G C 1.148 176.123 174.900 0.125 0.000 1.212 36 G CA 0.704 45.855 45.100 0.086 0.000 0.979 36 G HN 1.858 nan 8.290 nan 0.000 0.557 37 A N -0.235 122.643 122.820 0.096 0.000 2.216 37 A HA 0.476 4.796 4.320 -0.000 0.000 0.214 37 A C 2.515 180.179 177.584 0.133 0.000 1.160 37 A CA 2.323 54.419 52.037 0.098 0.000 0.725 37 A CB -0.561 18.483 19.000 0.073 0.000 0.784 37 A HN 2.219 nan 8.150 nan 0.000 0.472 38 A N -1.933 120.990 122.820 0.173 0.000 2.308 38 A HA 0.530 4.850 4.320 -0.000 0.000 0.217 38 A C 0.147 177.941 177.584 0.350 0.000 1.216 38 A CA -0.048 52.136 52.037 0.244 0.000 0.864 38 A CB -0.181 18.956 19.000 0.227 0.000 0.902 38 A HN 0.489 nan 8.150 nan 0.000 0.499 39 F N -0.461 119.549 119.950 0.099 0.000 2.565 39 F HA 0.603 5.130 4.527 -0.000 0.000 0.313 39 F C -1.781 174.053 175.800 0.058 0.000 1.091 39 F CA -1.411 56.644 58.000 0.092 0.000 0.915 39 F CB 1.969 40.999 39.000 0.049 0.000 1.208 39 F HN -0.029 nan 8.300 nan 0.000 0.453 40 D N 3.060 122.919 120.400 -0.901 0.000 2.323 40 D HA 0.269 4.909 4.640 -0.000 0.000 0.242 40 D C 0.779 176.477 176.300 -1.003 0.000 1.347 40 D CA -0.008 53.565 54.000 -0.712 0.000 0.988 40 D CB 1.212 41.822 40.800 -0.318 0.000 1.314 40 D HN 0.718 nan 8.370 nan 0.000 0.564 41 G N 1.761 109.909 108.800 -1.085 0.000 2.470 41 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.220 41 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.220 41 G C 1.298 176.072 174.900 -0.210 0.000 1.121 41 G CA 1.463 46.257 45.100 -0.510 0.000 0.766 41 G HN 0.546 nan 8.290 nan 0.000 0.553 42 T N -3.899 110.539 114.554 -0.194 0.000 3.088 42 T HA 0.040 4.390 4.350 -0.000 0.000 0.259 42 T C 1.284 175.915 174.700 -0.115 0.000 1.122 42 T CA 0.532 62.566 62.100 -0.109 0.000 1.095 42 T CB -0.563 68.256 68.868 -0.081 0.000 0.930 42 T HN 0.538 nan 8.240 nan 0.000 0.508 43 c N 1.802 120.300 118.600 -0.170 0.000 4.167 43 c HA -0.198 4.372 4.570 -0.000 0.000 0.302 43 c C 1.595 175.622 174.090 -0.106 0.000 1.384 43 c CA 0.950 57.193 56.329 -0.143 0.000 2.041 43 c CB -2.683 39.771 42.510 -0.094 0.000 1.303 43 c HN 0.794 nan 8.230 nan 0.000 0.718 44 T N -0.452 114.039 114.554 -0.104 0.000 3.010 44 T HA -0.009 4.341 4.350 -0.000 0.000 0.252 44 T C 0.823 175.481 174.700 -0.071 0.000 1.047 44 T CA 0.998 63.055 62.100 -0.072 0.000 1.140 44 T CB -0.165 68.668 68.868 -0.059 0.000 0.885 44 T HN 0.700 nan 8.240 nan 0.000 0.464 45 N N 2.262 120.909 118.700 -0.090 0.000 2.439 45 N HA 0.150 4.890 4.740 -0.000 0.000 0.243 45 N C 0.439 175.874 175.510 -0.125 0.000 1.088 45 N CA -0.104 52.898 53.050 -0.079 0.000 0.940 45 N CB 0.379 38.827 38.487 -0.065 0.000 1.180 45 N HN 0.300 nan 8.380 nan 0.000 0.505 46 L N 2.876 124.030 121.223 -0.114 0.000 2.675 46 L HA 0.065 4.405 4.340 -0.000 0.000 0.238 46 L C 1.601 178.296 176.870 -0.292 0.000 1.155 46 L CA 0.410 55.139 54.840 -0.184 0.000 0.881 46 L CB -0.032 41.972 42.059 -0.092 0.000 1.008 46 L HN 0.342 nan 8.230 nan 0.000 0.443 47 R N -0.750 119.642 120.500 -0.180 0.000 2.397 47 R HA 0.319 4.659 4.340 -0.000 0.000 0.241 47 R C 0.149 176.398 176.300 -0.085 0.000 0.914 47 R CA -0.035 56.024 56.100 -0.068 0.000 1.071 47 R CB 0.582 30.946 30.300 0.106 0.000 1.116 47 R HN 0.238 nan 8.270 nan 0.000 0.524 48 L N -0.503 120.607 121.223 -0.188 0.000 2.298 48 L HA 0.413 4.753 4.340 -0.000 0.000 0.268 48 L C -0.286 176.503 176.870 -0.135 0.000 1.010 48 L CA -1.333 53.474 54.840 -0.056 0.000 0.812 48 L CB 0.560 42.620 42.059 0.001 0.000 1.331 48 L HN -0.111 nan 8.230 nan 0.000 0.450 49 Y N -0.852 119.474 120.300 0.043 0.000 2.425 49 Y HA -0.023 4.527 4.550 -0.000 0.000 0.331 49 Y C 0.904 176.815 175.900 0.018 0.000 1.157 49 Y CA 0.051 58.225 58.100 0.123 0.000 1.372 49 Y CB 0.822 39.442 38.460 0.267 0.000 1.253 49 Y HN 0.528 nan 8.280 nan 0.000 0.536 50 c N 0.814 119.514 118.600 0.167 0.000 2.865 50 c HA 0.326 4.895 4.570 -0.000 0.000 0.280 50 c C 1.739 175.990 174.090 0.269 0.000 1.255 50 c CA 0.574 56.913 56.329 0.017 0.000 1.705 50 c CB -0.387 42.109 42.510 -0.023 0.000 2.080 50 c HN 1.212 nan 8.230 nan 0.000 0.591 51 G N 0.118 109.177 108.800 0.432 0.000 2.284 51 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.201 51 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.201 51 G C 0.423 175.471 174.900 0.247 0.000 0.998 51 G CA -0.098 45.239 45.100 0.395 0.000 0.651 51 G HN 0.767 nan 8.290 nan 0.000 0.489 52 G N 1.021 109.954 108.800 0.222 0.000 2.265 52 G HA2 0.495 4.455 3.960 -0.000 0.000 0.240 52 G HA3 0.495 4.455 3.960 -0.000 0.000 0.240 52 G C 0.065 175.060 174.900 0.159 0.000 1.270 52 G CA 1.250 46.455 45.100 0.175 0.000 0.901 52 G HN 1.057 nan 8.290 nan 0.000 0.507 53 D N -0.027 120.449 120.400 0.127 0.000 2.812 53 D HA 0.260 4.900 4.640 -0.000 0.000 0.318 53 D C 0.529 176.924 176.300 0.157 0.000 1.234 53 D CA -0.904 53.135 54.000 0.064 0.000 0.989 53 D CB 0.209 41.049 40.800 0.066 0.000 1.442 53 D HN 0.295 nan 8.370 nan 0.000 0.537 54 W N -0.513 120.861 121.300 0.125 0.000 2.388 54 W HA -0.009 4.651 4.660 -0.000 0.000 0.294 54 W C 2.085 178.651 176.519 0.079 0.000 1.212 54 W CA 0.938 58.339 57.345 0.092 0.000 1.271 54 W CB -0.927 28.611 29.460 0.130 0.000 1.126 54 W HN 0.531 nan 8.180 nan 0.000 0.535 55 Q N 0.409 120.386 119.800 0.294 0.000 2.170 55 Q HA -0.066 4.274 4.340 -0.000 0.000 0.203 55 Q C 2.347 178.432 176.000 0.141 0.000 0.976 55 Q CA 2.302 58.214 55.803 0.181 0.000 0.858 55 Q CB -0.968 27.850 28.738 0.134 0.000 0.907 55 Q HN 0.158 nan 8.270 nan 0.000 0.433 56 G N 0.354 109.247 108.800 0.155 0.000 2.418 56 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 56 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 56 G C 1.432 176.433 174.900 0.168 0.000 1.158 56 G CA 0.903 46.075 45.100 0.121 0.000 0.771 56 G HN 0.427 nan 8.290 nan 0.000 0.545 57 I N 0.517 121.253 120.570 0.276 0.000 2.226 57 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 57 I C 2.638 178.862 176.117 0.178 0.000 1.100 57 I CA 0.717 62.208 61.300 0.320 0.000 1.374 57 I CB -0.202 37.953 38.000 0.259 0.000 1.057 57 I HN 0.143 nan 8.210 nan 0.000 0.413 58 I N 1.009 121.653 120.570 0.123 0.000 2.208 58 I HA -0.320 3.850 4.170 -0.000 0.000 0.245 58 I C 2.194 178.335 176.117 0.040 0.000 1.097 58 I CA 1.364 62.701 61.300 0.061 0.000 1.363 58 I CB -0.555 37.477 38.000 0.054 0.000 1.051 58 I HN 0.330 nan 8.210 nan 0.000 0.413 59 N N 0.894 119.614 118.700 0.032 0.000 2.120 59 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 59 N C 1.721 177.197 175.510 -0.055 0.000 1.024 59 N CA 1.099 54.139 53.050 -0.018 0.000 0.852 59 N CB -0.261 38.202 38.487 -0.040 0.000 1.003 59 N HN 0.236 nan 8.380 nan 0.000 0.424 60 K N 0.890 121.257 120.400 -0.055 0.000 2.288 60 K HA 0.114 4.434 4.320 -0.000 0.000 0.201 60 K C 2.033 178.659 176.600 0.043 0.000 1.048 60 K CA 0.220 56.457 56.287 -0.084 0.000 0.956 60 K CB -0.195 32.267 32.500 -0.062 0.000 0.746 60 K HN 0.311 nan 8.250 nan 0.000 0.461 61 I N 1.294 121.899 120.570 0.060 0.000 2.333 61 I HA -0.216 3.954 4.170 -0.000 0.000 0.246 61 I C 1.486 177.611 176.117 0.014 0.000 1.106 61 I CA 0.837 62.162 61.300 0.041 0.000 1.411 61 I CB -0.136 37.883 38.000 0.032 0.000 1.082 61 I HN 0.115 nan 8.210 nan 0.000 0.420 62 N N 0.991 119.694 118.700 0.004 0.000 2.354 62 N HA -0.134 4.606 4.740 -0.000 0.000 0.179 62 N C 1.022 176.526 175.510 -0.010 0.000 1.021 62 N CA 1.235 54.282 53.050 -0.004 0.000 0.887 62 N CB -0.330 38.154 38.487 -0.006 0.000 0.974 62 N HN 0.494 nan 8.380 nan 0.000 0.437 63 D N -1.114 119.274 120.400 -0.021 0.000 2.328 63 D HA 0.160 4.800 4.640 -0.000 0.000 0.221 63 D C 1.148 177.450 176.300 0.003 0.000 1.072 63 D CA 0.306 54.293 54.000 -0.023 0.000 0.850 63 D CB -0.257 40.508 40.800 -0.059 0.000 0.922 63 D HN 0.173 nan 8.370 nan 0.000 0.516 64 G N -0.191 108.620 108.800 0.018 0.000 2.176 64 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.253 64 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.253 64 G C 0.682 175.628 174.900 0.076 0.000 0.979 64 G CA 0.362 45.482 45.100 0.033 0.000 0.641 64 G HN 0.356 nan 8.290 nan 0.000 0.530 65 Y N 0.960 121.243 120.300 -0.028 0.000 2.097 65 Y HA 0.007 4.557 4.550 -0.000 0.000 0.282 65 Y C 2.653 178.595 175.900 0.070 0.000 1.152 65 Y CA 2.508 60.631 58.100 0.038 0.000 1.136 65 Y CB -0.364 38.050 38.460 -0.076 0.000 0.975 65 Y HN 0.320 nan 8.280 nan 0.000 0.498 66 L N -0.955 120.228 121.223 -0.067 0.000 2.068 66 L HA -0.148 4.192 4.340 -0.000 0.000 0.204 66 L C 2.591 179.344 176.870 -0.195 0.000 1.076 66 L CA 1.634 56.331 54.840 -0.238 0.000 0.753 66 L CB -1.230 40.747 42.059 -0.137 0.000 0.910 66 L HN 0.309 nan 8.230 nan 0.000 0.439 67 T N -2.491 112.007 114.554 -0.094 0.000 2.746 67 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 67 T C 1.924 176.574 174.700 -0.083 0.000 1.039 67 T CA 1.169 63.222 62.100 -0.078 0.000 1.142 67 T CB -1.044 67.801 68.868 -0.039 0.000 0.866 67 T HN 0.389 nan 8.240 nan 0.000 0.444 68 G N 0.283 109.057 108.800 -0.042 0.000 2.509 68 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.218 68 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.218 68 G C 1.452 176.319 174.900 -0.055 0.000 1.124 68 G CA 0.536 45.650 45.100 0.022 0.000 0.776 68 G HN 0.526 nan 8.290 nan 0.000 0.547 69 M N -0.194 119.221 119.600 -0.308 0.000 2.510 69 M HA 0.252 4.732 4.480 -0.000 0.000 0.256 69 M C 1.694 177.757 176.300 -0.396 0.000 1.132 69 M CA 0.992 55.875 55.300 -0.694 0.000 1.105 69 M CB 0.503 32.502 32.600 -1.002 0.000 1.375 69 M HN 0.344 nan 8.290 nan 0.000 0.477 70 G N 0.747 109.398 108.800 -0.250 0.000 2.157 70 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.239 70 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.239 70 G C -0.070 174.736 174.900 -0.158 0.000 0.982 70 G CA 0.060 45.053 45.100 -0.179 0.000 0.650 70 G HN 0.315 nan 8.290 nan 0.000 0.527 71 V N 1.675 121.482 119.914 -0.177 0.000 2.572 71 V HA 0.472 4.592 4.120 -0.000 0.000 0.291 71 V C 1.576 177.625 176.094 -0.074 0.000 1.039 71 V CA 1.429 63.661 62.300 -0.112 0.000 1.055 71 V CB 1.318 33.049 31.823 -0.154 0.000 0.969 71 V HN 0.826 nan 8.190 nan 0.000 0.482 72 T N 0.688 115.217 114.554 -0.041 0.000 3.111 72 T HA 0.673 5.023 4.350 -0.000 0.000 0.284 72 T C 0.002 174.699 174.700 -0.006 0.000 0.983 72 T CA 0.381 62.450 62.100 -0.050 0.000 0.900 72 T CB 0.453 69.259 68.868 -0.103 0.000 1.132 72 T HN 1.051 nan 8.240 nan 0.000 0.531 73 A N 1.611 124.480 122.820 0.082 0.000 2.589 73 A HA 0.761 5.081 4.320 -0.000 0.000 0.296 73 A C -1.312 176.423 177.584 0.251 0.000 1.062 73 A CA -1.193 50.963 52.037 0.198 0.000 0.686 73 A CB 1.096 20.295 19.000 0.331 0.000 1.282 73 A HN 0.780 nan 8.150 nan 0.000 0.404 74 I N -2.032 118.705 120.570 0.277 0.000 2.608 74 I HA 0.822 4.992 4.170 -0.000 0.000 0.295 74 I C -1.112 175.225 176.117 0.366 0.000 1.049 74 I CA -0.723 60.746 61.300 0.282 0.000 1.063 74 I CB 2.050 40.153 38.000 0.171 0.000 1.248 74 I HN 0.786 nan 8.210 nan 0.000 0.424 75 W N 8.973 130.370 121.300 0.162 0.000 2.318 75 W HA 0.734 5.394 4.660 -0.000 0.000 0.315 75 W C -1.189 175.373 176.519 0.072 0.000 1.033 75 W CA -1.883 55.555 57.345 0.155 0.000 1.275 75 W CB 0.643 30.245 29.460 0.237 0.000 1.250 75 W HN 0.644 nan 8.180 nan 0.000 0.421 76 I N 2.444 123.210 120.570 0.326 0.000 2.947 76 I HA 0.638 4.808 4.170 -0.000 0.000 0.314 76 I C 0.519 176.667 176.117 0.052 0.000 1.028 76 I CA -0.982 60.360 61.300 0.070 0.000 1.077 76 I CB 1.321 39.374 38.000 0.087 0.000 1.274 76 I HN 0.196 nan 8.210 nan 0.000 0.485 77 S N 1.434 117.016 115.700 -0.196 0.000 2.569 77 S HA -0.038 4.432 4.470 -0.000 0.000 0.274 77 S C 0.011 174.550 174.600 -0.102 0.000 1.353 77 S CA -0.351 57.659 58.200 -0.316 0.000 1.023 77 S CB 0.276 63.133 63.200 -0.572 0.000 0.876 77 S HN 0.709 nan 8.310 nan 0.000 0.540 78 Q N 2.847 122.540 119.800 -0.178 0.000 2.269 78 Q HA -0.003 4.337 4.340 -0.000 0.000 0.300 78 Q C -1.518 174.505 176.000 0.038 0.000 1.070 78 Q CA -1.024 54.724 55.803 -0.090 0.000 0.957 78 Q CB 0.591 29.225 28.738 -0.173 0.000 1.131 78 Q HN 0.331 nan 8.270 nan 0.000 0.377 79 P HA -0.039 nan 4.420 nan 0.000 0.245 79 P C 0.348 177.743 177.300 0.159 0.000 1.206 79 P CA 0.302 63.544 63.100 0.237 0.000 0.781 79 P CB -0.044 31.593 31.700 -0.106 0.000 0.994 80 V N -1.546 118.347 119.914 -0.035 0.000 3.051 80 V HA 0.231 4.351 4.120 -0.000 0.000 0.306 80 V C 0.472 176.532 176.094 -0.057 0.000 1.083 80 V CA -0.982 61.359 62.300 0.067 0.000 1.104 80 V CB 0.139 31.927 31.823 -0.058 0.000 1.027 80 V HN -0.020 nan 8.190 nan 0.000 0.483 81 E N 2.483 122.668 120.200 -0.025 0.000 2.417 81 E HA 0.070 4.420 4.350 -0.000 0.000 0.261 81 E C -0.347 176.107 176.600 -0.243 0.000 1.000 81 E CA -0.008 56.310 56.400 -0.137 0.000 0.919 81 E CB 0.270 29.938 29.700 -0.053 0.000 0.955 81 E HN 0.856 nan 8.360 nan 0.000 0.455 82 N N 2.625 121.113 118.700 -0.353 0.000 2.502 82 N HA 0.343 5.083 4.740 -0.000 0.000 0.280 82 N C -0.394 174.858 175.510 -0.429 0.000 1.223 82 N CA -0.625 52.248 53.050 -0.294 0.000 0.966 82 N CB 0.728 39.063 38.487 -0.253 0.000 1.203 82 N HN 0.456 nan 8.380 nan 0.000 0.565 83 I N -1.494 118.960 120.570 -0.193 0.000 2.938 83 I HA 0.059 4.229 4.170 -0.000 0.000 0.285 83 I C -0.142 175.801 176.117 -0.291 0.000 1.182 83 I CA 0.079 61.267 61.300 -0.186 0.000 1.388 83 I CB 0.333 38.324 38.000 -0.014 0.000 1.390 83 I HN 0.561 nan 8.210 nan 0.000 0.600 84 Y N 1.801 122.110 120.300 0.015 0.000 2.458 84 Y HA 0.214 4.764 4.550 -0.000 0.000 0.256 84 Y C 1.365 177.283 175.900 0.030 0.000 1.159 84 Y CA -0.200 57.904 58.100 0.006 0.000 1.261 84 Y CB -0.065 38.367 38.460 -0.047 0.000 1.119 84 Y HN 0.543 nan 8.280 nan 0.000 0.524 85 S N 1.278 117.050 115.700 0.121 0.000 2.560 85 S HA 0.179 4.649 4.470 -0.000 0.000 0.284 85 S C 0.037 174.685 174.600 0.080 0.000 1.327 85 S CA -0.135 58.093 58.200 0.046 0.000 1.055 85 S CB 0.330 63.481 63.200 -0.082 0.000 0.868 85 S HN 0.130 nan 8.310 nan 0.000 0.506 86 I N 3.566 124.169 120.570 0.055 0.000 2.306 86 I HA 0.296 4.466 4.170 -0.000 0.000 0.288 86 I C -0.327 175.790 176.117 0.000 0.000 1.036 86 I CA -0.211 61.141 61.300 0.086 0.000 1.221 86 I CB 0.454 38.508 38.000 0.090 0.000 1.385 86 I HN 0.448 nan 8.210 nan 0.000 0.472 87 I N 6.169 126.731 120.570 -0.013 0.000 2.395 87 I HA 0.146 4.316 4.170 -0.000 0.000 0.289 87 I C 0.456 176.482 176.117 -0.151 0.000 1.023 87 I CA -0.257 60.919 61.300 -0.206 0.000 1.350 87 I CB 0.692 38.441 38.000 -0.418 0.000 1.409 87 I HN 0.554 nan 8.210 nan 0.000 0.507 88 N N 6.668 125.273 118.700 -0.158 0.000 2.439 88 N HA 0.164 4.904 4.740 -0.000 0.000 0.249 88 N C -1.589 173.863 175.510 -0.098 0.000 1.003 88 N CA -0.286 52.731 53.050 -0.055 0.000 0.942 88 N CB 0.607 39.096 38.487 0.002 0.000 1.115 88 N HN 0.325 nan 8.380 nan 0.000 0.505 89 Y N 1.960 122.336 120.300 0.127 0.000 2.491 89 Y HA 0.172 4.722 4.550 -0.000 0.000 0.334 89 Y C 0.720 176.657 175.900 0.062 0.000 0.969 89 Y CA -0.590 57.570 58.100 0.099 0.000 1.241 89 Y CB 0.677 39.202 38.460 0.108 0.000 1.105 89 Y HN 0.500 nan 8.280 nan 0.000 0.503 90 S N 2.486 118.295 115.700 0.182 0.000 3.628 90 S HA -0.170 4.300 4.470 -0.000 0.000 0.373 90 S C 1.271 175.925 174.600 0.090 0.000 0.968 90 S CA 1.033 59.298 58.200 0.109 0.000 1.215 90 S CB -1.489 61.767 63.200 0.095 0.000 0.912 90 S HN 1.542 nan 8.310 nan 0.000 0.495 91 G N -1.915 106.934 108.800 0.081 0.000 2.159 91 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.256 91 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.256 91 G C 0.010 174.956 174.900 0.076 0.000 0.977 91 G CA 0.017 45.156 45.100 0.065 0.000 0.652 91 G HN 1.371 nan 8.290 nan 0.000 0.531 92 V N 1.216 121.195 119.914 0.110 0.000 2.444 92 V HA 0.464 4.584 4.120 -0.000 0.000 0.294 92 V C -0.109 176.073 176.094 0.147 0.000 1.022 92 V CA -1.511 60.861 62.300 0.121 0.000 0.850 92 V CB 1.683 33.587 31.823 0.135 0.000 0.992 92 V HN 0.270 nan 8.190 nan 0.000 0.426 93 N N 4.013 122.784 118.700 0.120 0.000 2.530 93 N HA 0.332 5.072 4.740 -0.000 0.000 0.273 93 N C -0.532 175.092 175.510 0.190 0.000 1.173 93 N CA 0.086 53.213 53.050 0.129 0.000 0.967 93 N CB 0.671 39.218 38.487 0.101 0.000 1.109 93 N HN 0.663 nan 8.380 nan 0.000 0.453 94 N N -0.092 118.754 118.700 0.243 0.000 2.235 94 N HA 0.368 5.108 4.740 -0.000 0.000 0.293 94 N C -0.536 175.199 175.510 0.376 0.000 1.083 94 N CA -0.380 52.888 53.050 0.362 0.000 0.801 94 N CB 2.262 41.100 38.487 0.584 0.000 1.559 94 N HN 0.541 nan 8.380 nan 0.000 0.472 95 T N -2.684 112.066 114.554 0.326 0.000 2.910 95 T HA 0.648 4.997 4.350 -0.000 0.000 0.287 95 T C 0.396 175.017 174.700 -0.132 0.000 1.050 95 T CA -0.755 61.494 62.100 0.248 0.000 1.011 95 T CB 1.635 70.650 68.868 0.245 0.000 1.195 95 T HN 0.345 nan 8.240 nan 0.000 0.540 96 A N 0.369 123.032 122.820 -0.262 0.000 2.579 96 A HA 0.310 4.630 4.320 -0.000 0.000 0.273 96 A C 1.244 178.120 177.584 -1.181 0.000 1.363 96 A CA -0.384 51.099 52.037 -0.924 0.000 0.953 96 A CB -1.569 17.272 19.000 -0.264 0.000 1.034 96 A HN 0.938 nan 8.150 nan 0.000 0.536 97 Y N -0.117 119.426 120.300 -1.262 0.000 2.298 97 Y HA -0.326 4.224 4.550 -0.000 0.000 0.287 97 Y C 1.825 177.341 175.900 -0.640 0.000 1.164 97 Y CA 1.749 59.085 58.100 -1.273 0.000 1.229 97 Y CB -1.228 36.665 38.460 -0.945 0.000 0.977 97 Y HN 0.652 nan 8.280 nan 0.000 0.538 98 H N -1.262 116.994 119.070 -1.358 0.000 2.524 98 H HA 0.292 4.848 4.556 -0.000 0.000 0.282 98 H C 2.017 176.823 175.328 -0.869 0.000 1.016 98 H CA 0.155 55.567 56.048 -1.060 0.000 1.270 98 H CB -0.704 28.588 29.762 -0.782 0.000 1.394 98 H HN 0.431 nan 8.280 nan 0.000 0.568 99 G N -0.326 108.070 108.800 -0.673 0.000 2.159 99 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.256 99 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.256 99 G C 0.344 175.040 174.900 -0.339 0.000 0.977 99 G CA 0.508 45.350 45.100 -0.429 0.000 0.652 99 G HN 0.527 nan 8.290 nan 0.000 0.531 100 Y N -1.171 119.187 120.300 0.096 0.000 2.466 100 Y HA 0.361 4.911 4.550 -0.000 0.000 0.272 100 Y C 0.821 176.943 175.900 0.370 0.000 1.169 100 Y CA -0.522 57.671 58.100 0.155 0.000 1.285 100 Y CB 0.317 38.831 38.460 0.089 0.000 1.078 100 Y HN 0.387 nan 8.280 nan 0.000 0.523 101 W N 1.443 122.888 121.300 0.242 0.000 2.101 101 W HA 0.682 5.342 4.660 -0.000 0.000 0.301 101 W C 0.055 176.549 176.519 -0.042 0.000 0.846 101 W CA -2.109 55.325 57.345 0.149 0.000 1.823 101 W CB -0.510 29.024 29.460 0.123 0.000 2.007 101 W HN -0.163 nan 8.180 nan 0.000 0.373 102 A N 2.406 125.267 122.820 0.068 0.000 2.407 102 A HA 0.469 4.789 4.320 -0.000 0.000 0.248 102 A C 1.331 178.862 177.584 -0.088 0.000 1.082 102 A CA 0.023 51.916 52.037 -0.240 0.000 0.785 102 A CB 0.588 19.061 19.000 -0.879 0.000 1.020 102 A HN 0.669 nan 8.150 nan 0.000 0.489 103 R N 0.032 120.479 120.500 -0.088 0.000 2.507 103 R HA 0.284 4.624 4.340 -0.000 0.000 0.230 103 R C -0.820 175.619 176.300 0.232 0.000 0.897 103 R CA 0.159 56.332 56.100 0.121 0.000 1.006 103 R CB 0.669 31.034 30.300 0.107 0.000 1.341 103 R HN 0.500 nan 8.270 nan 0.000 0.604 104 D N 0.065 120.524 120.400 0.099 0.000 2.470 104 D HA 0.171 4.811 4.640 -0.000 0.000 0.233 104 D C -0.641 175.809 176.300 0.249 0.000 1.372 104 D CA -0.638 53.533 54.000 0.285 0.000 0.994 104 D CB 0.960 41.898 40.800 0.230 0.000 1.377 104 D HN -0.004 nan 8.370 nan 0.000 0.586 105 F N 1.750 121.948 119.950 0.412 0.000 2.771 105 F HA 0.129 4.656 4.527 -0.000 0.000 0.299 105 F C 2.054 178.124 175.800 0.450 0.000 1.177 105 F CA 0.603 58.837 58.000 0.390 0.000 1.450 105 F CB 0.262 39.447 39.000 0.309 0.000 1.114 105 F HN 0.119 nan 8.300 nan 0.000 0.587 106 K N -0.271 120.405 120.400 0.461 0.000 2.373 106 K HA 0.160 4.480 4.320 -0.000 0.000 0.202 106 K C 0.225 176.922 176.600 0.161 0.000 1.025 106 K CA 0.152 56.586 56.287 0.246 0.000 1.115 106 K CB 0.506 33.115 32.500 0.181 0.000 0.858 106 K HN 0.122 nan 8.250 nan 0.000 0.525 107 K N 0.615 121.168 120.400 0.254 0.000 2.400 107 K HA 0.237 4.557 4.320 -0.000 0.000 0.246 107 K C -0.198 176.589 176.600 0.312 0.000 0.995 107 K CA -0.692 55.712 56.287 0.196 0.000 0.840 107 K CB 1.970 34.556 32.500 0.143 0.000 1.293 107 K HN -0.043 nan 8.250 nan 0.000 0.445 108 T N -1.561 113.165 114.554 0.286 0.000 2.902 108 T HA 0.181 4.531 4.350 -0.000 0.000 0.280 108 T C 0.176 174.951 174.700 0.125 0.000 0.992 108 T CA -0.821 61.504 62.100 0.375 0.000 1.015 108 T CB 0.804 69.967 68.868 0.492 0.000 1.044 108 T HN 0.447 nan 8.240 nan 0.000 0.520 109 N N 2.500 121.187 118.700 -0.022 0.000 2.415 109 N HA 0.189 4.929 4.740 -0.000 0.000 0.246 109 N C -1.316 174.003 175.510 -0.320 0.000 1.078 109 N CA -2.409 50.459 53.050 -0.304 0.000 0.942 109 N CB 1.130 39.197 38.487 -0.701 0.000 1.140 109 N HN 0.393 nan 8.380 nan 0.000 0.501 110 P HA -0.177 nan 4.420 nan 0.000 0.218 110 P C 0.846 178.020 177.300 -0.210 0.000 1.146 110 P CA 1.010 64.039 63.100 -0.119 0.000 0.813 110 P CB 0.254 31.940 31.700 -0.023 0.000 0.778 111 A N -0.899 121.721 122.820 -0.333 0.000 1.930 111 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 111 A C 2.078 179.538 177.584 -0.207 0.000 1.175 111 A CA 1.178 53.022 52.037 -0.323 0.000 0.627 111 A CB -1.499 17.223 19.000 -0.464 0.000 0.815 111 A HN 0.087 nan 8.150 nan 0.000 0.443 112 Y N -0.747 119.267 120.300 -0.476 0.000 2.286 112 Y HA 0.368 4.918 4.550 -0.000 0.000 0.293 112 Y C 1.602 176.974 175.900 -0.880 0.000 1.124 112 Y CA 0.156 57.712 58.100 -0.907 0.000 1.178 112 Y CB -0.743 36.731 38.460 -1.643 0.000 1.010 112 Y HN 0.455 nan 8.280 nan 0.000 0.536 113 G N -1.101 107.411 108.800 -0.480 0.000 2.359 113 G HA2 0.289 4.249 3.960 -0.000 0.000 0.293 113 G HA3 0.289 4.249 3.960 -0.000 0.000 0.293 113 G C -0.666 174.358 174.900 0.206 0.000 1.300 113 G CA -0.529 44.572 45.100 0.002 0.000 0.888 113 G HN 0.192 nan 8.290 nan 0.000 0.541 114 T N -1.423 113.337 114.554 0.345 0.000 2.849 114 T HA 0.581 4.931 4.350 -0.000 0.000 0.276 114 T C 1.633 176.606 174.700 0.456 0.000 0.971 114 T CA -0.383 61.906 62.100 0.315 0.000 0.949 114 T CB 0.956 69.941 68.868 0.195 0.000 1.093 114 T HN 0.441 nan 8.240 nan 0.000 0.545 115 I N 0.777 121.526 120.570 0.300 0.000 2.208 115 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 115 I C 3.001 179.268 176.117 0.250 0.000 1.097 115 I CA 1.850 63.298 61.300 0.248 0.000 1.363 115 I CB -1.990 36.071 38.000 0.102 0.000 1.051 115 I HN 0.887 nan 8.210 nan 0.000 0.413 116 A N 0.613 123.550 122.820 0.196 0.000 1.908 116 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 116 A C 2.006 179.699 177.584 0.181 0.000 1.181 116 A CA 1.965 54.094 52.037 0.153 0.000 0.627 116 A CB -0.621 18.449 19.000 0.116 0.000 0.818 116 A HN 0.370 nan 8.150 nan 0.000 0.445 117 D N -1.174 119.388 120.400 0.269 0.000 2.123 117 D HA -0.150 4.490 4.640 -0.000 0.000 0.196 117 D C 1.616 178.055 176.300 0.231 0.000 0.992 117 D CA 1.245 55.432 54.000 0.312 0.000 0.833 117 D CB -0.415 40.689 40.800 0.507 0.000 0.954 117 D HN 0.475 nan 8.370 nan 0.000 0.455 118 F N 1.638 121.626 119.950 0.063 0.000 2.134 118 F HA -0.171 4.356 4.527 -0.000 0.000 0.299 118 F C 2.449 178.141 175.800 -0.180 0.000 1.097 118 F CA 1.409 59.207 58.000 -0.335 0.000 1.264 118 F CB -0.098 38.702 39.000 -0.334 0.000 1.001 118 F HN -0.087 nan 8.300 nan 0.000 0.479 119 Q N -0.200 119.634 119.800 0.056 0.000 2.124 119 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 119 Q C 1.844 177.779 176.000 -0.108 0.000 0.977 119 Q CA 1.486 57.279 55.803 -0.017 0.000 0.850 119 Q CB -0.314 28.458 28.738 0.058 0.000 0.901 119 Q HN 0.406 nan 8.270 nan 0.000 0.429 120 N N 0.587 119.250 118.700 -0.063 0.000 2.244 120 N HA -0.122 4.618 4.740 -0.000 0.000 0.183 120 N C 1.666 177.094 175.510 -0.137 0.000 1.016 120 N CA 0.655 53.668 53.050 -0.062 0.000 0.866 120 N CB -0.158 38.333 38.487 0.006 0.000 0.980 120 N HN 0.148 nan 8.380 nan 0.000 0.430 121 L N 1.219 122.300 121.223 -0.237 0.000 2.027 121 L HA -0.003 4.337 4.340 -0.000 0.000 0.206 121 L C 1.864 178.489 176.870 -0.408 0.000 1.074 121 L CA 1.299 55.946 54.840 -0.322 0.000 0.745 121 L CB -0.613 41.134 42.059 -0.520 0.000 0.898 121 L HN -0.002 nan 8.230 nan 0.000 0.433 122 I N 0.217 120.452 120.570 -0.559 0.000 2.208 122 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 122 I C 2.666 178.454 176.117 -0.548 0.000 1.097 122 I CA 1.512 62.440 61.300 -0.620 0.000 1.363 122 I CB -1.800 35.885 38.000 -0.524 0.000 1.051 122 I HN 0.384 nan 8.210 nan 0.000 0.413 123 A N 0.862 123.504 122.820 -0.297 0.000 1.877 123 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 123 A C 2.586 180.109 177.584 -0.101 0.000 1.186 123 A CA 2.101 54.048 52.037 -0.150 0.000 0.620 123 A CB -0.848 18.105 19.000 -0.078 0.000 0.822 123 A HN 0.417 nan 8.150 nan 0.000 0.443 124 A N -0.233 122.523 122.820 -0.107 0.000 1.902 124 A HA 0.174 4.493 4.320 -0.000 0.000 0.217 124 A C 2.512 180.068 177.584 -0.047 0.000 1.181 124 A CA 2.136 54.138 52.037 -0.058 0.000 0.623 124 A CB -1.031 17.940 19.000 -0.048 0.000 0.818 124 A HN 1.041 nan 8.150 nan 0.000 0.443 125 A N -0.652 122.112 122.820 -0.093 0.000 1.858 125 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 125 A C 1.954 179.577 177.584 0.066 0.000 1.190 125 A CA 1.674 53.688 52.037 -0.038 0.000 0.617 125 A CB -1.115 17.834 19.000 -0.085 0.000 0.827 125 A HN 0.756 nan 8.150 nan 0.000 0.443 126 H N -0.829 118.213 119.070 -0.047 0.000 2.387 126 H HA -0.038 4.518 4.556 -0.000 0.000 0.299 126 H C 2.444 177.748 175.328 -0.039 0.000 1.090 126 H CA 0.599 56.621 56.048 -0.042 0.000 1.332 126 H CB 0.007 29.746 29.762 -0.038 0.000 1.386 126 H HN 0.571 nan 8.280 nan 0.000 0.516 127 A N 1.026 123.900 122.820 0.089 0.000 2.019 127 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 127 A C 1.752 179.345 177.584 0.016 0.000 1.164 127 A CA 1.232 53.291 52.037 0.036 0.000 0.644 127 A CB 0.043 19.052 19.000 0.016 0.000 0.805 127 A HN 0.144 nan 8.150 nan 0.000 0.449 128 K N 0.024 120.434 120.400 0.016 0.000 2.437 128 K HA 0.106 4.426 4.320 -0.000 0.000 0.205 128 K C -0.295 176.300 176.600 -0.009 0.000 1.026 128 K CA -0.234 56.053 56.287 -0.001 0.000 1.153 128 K CB -0.035 32.463 32.500 -0.003 0.000 0.863 128 K HN 0.491 nan 8.250 nan 0.000 0.502 129 N N 0.875 119.572 118.700 -0.005 0.000 2.725 129 N HA -0.211 4.529 4.740 -0.000 0.000 0.249 129 N C -0.600 174.891 175.510 -0.033 0.000 1.103 129 N CA 0.751 53.779 53.050 -0.036 0.000 0.707 129 N CB -1.428 37.023 38.487 -0.060 0.000 1.043 129 N HN 0.337 nan 8.380 nan 0.000 0.553 130 I N 0.819 121.402 120.570 0.022 0.000 2.378 130 I HA 0.190 4.360 4.170 -0.000 0.000 0.291 130 I C 0.627 176.815 176.117 0.119 0.000 0.992 130 I CA -0.581 60.742 61.300 0.038 0.000 1.154 130 I CB 1.433 39.455 38.000 0.037 0.000 1.315 130 I HN -0.202 nan 8.210 nan 0.000 0.448 131 K N 4.684 125.137 120.400 0.088 0.000 2.154 131 K HA 0.565 4.885 4.320 -0.000 0.000 0.264 131 K C -0.932 175.831 176.600 0.272 0.000 1.008 131 K CA -0.616 55.777 56.287 0.176 0.000 0.937 131 K CB 1.753 34.265 32.500 0.021 0.000 1.002 131 K HN 0.271 nan 8.250 nan 0.000 0.469 132 V N 3.996 124.094 119.914 0.307 0.000 2.409 132 V HA 0.368 4.487 4.120 -0.000 0.000 0.291 132 V C -0.328 175.938 176.094 0.287 0.000 1.020 132 V CA -0.744 61.691 62.300 0.225 0.000 0.848 132 V CB 1.107 32.950 31.823 0.034 0.000 0.990 132 V HN 0.589 nan 8.190 nan 0.000 0.430 133 I N 6.139 126.885 120.570 0.294 0.000 2.404 133 I HA 0.546 4.716 4.170 -0.000 0.000 0.293 133 I C -0.148 176.101 176.117 0.220 0.000 0.992 133 I CA -0.571 60.873 61.300 0.239 0.000 1.149 133 I CB 1.748 39.901 38.000 0.255 0.000 1.315 133 I HN 0.610 nan 8.210 nan 0.000 0.446 134 I N 1.568 122.219 120.570 0.136 0.000 2.460 134 I HA 0.535 4.705 4.170 -0.000 0.000 0.298 134 I C -0.335 175.826 176.117 0.072 0.000 0.989 134 I CA -0.668 60.709 61.300 0.128 0.000 1.173 134 I CB 1.575 39.598 38.000 0.038 0.000 1.338 134 I HN 0.401 nan 8.210 nan 0.000 0.456 135 D N 3.923 124.420 120.400 0.162 0.000 2.341 135 D HA 0.320 4.960 4.640 -0.000 0.000 0.245 135 D C -1.587 174.830 176.300 0.195 0.000 1.106 135 D CA 0.375 54.479 54.000 0.173 0.000 0.905 135 D CB 1.344 42.316 40.800 0.288 0.000 1.202 135 D HN 0.485 nan 8.370 nan 0.000 0.426 136 F N 1.224 121.187 119.950 0.022 0.000 2.607 136 F HA 0.456 4.983 4.527 -0.000 0.000 0.322 136 F C -1.002 174.879 175.800 0.134 0.000 1.176 136 F CA -0.820 57.215 58.000 0.059 0.000 0.977 136 F CB 1.630 40.653 39.000 0.038 0.000 1.242 136 F HN 0.275 nan 8.300 nan 0.000 0.465 137 A N 7.730 130.468 122.820 -0.136 0.000 2.923 137 A HA 0.497 4.817 4.320 -0.000 0.000 0.343 137 A C -2.359 175.125 177.584 -0.167 0.000 1.199 137 A CA -1.143 50.863 52.037 -0.052 0.000 0.878 137 A CB -0.212 18.848 19.000 0.101 0.000 1.104 137 A HN 0.456 nan 8.150 nan 0.000 0.483 138 P HA -0.017 nan 4.420 nan 0.000 0.255 138 P C 0.581 177.854 177.300 -0.045 0.000 1.301 138 P CA 0.405 63.356 63.100 -0.248 0.000 0.817 138 P CB 0.140 31.721 31.700 -0.197 0.000 1.259 139 N N 0.832 119.505 118.700 -0.045 0.000 2.300 139 N HA -0.099 4.641 4.740 -0.000 0.000 0.179 139 N C 0.786 176.363 175.510 0.113 0.000 1.016 139 N CA 0.632 53.746 53.050 0.106 0.000 0.876 139 N CB -0.016 38.609 38.487 0.229 0.000 0.979 139 N HN 0.274 nan 8.380 nan 0.000 0.432 140 H N -4.550 114.601 119.070 0.135 0.000 2.918 140 H HA 0.284 4.840 4.556 -0.000 0.000 0.303 140 H C -0.054 175.437 175.328 0.272 0.000 1.380 140 H CA -0.097 56.046 56.048 0.157 0.000 1.134 140 H CB 0.722 30.548 29.762 0.106 0.000 1.842 140 H HN 0.033 nan 8.280 nan 0.000 0.533 141 T N -0.871 113.916 114.554 0.387 0.000 3.535 141 T HA 0.327 4.677 4.350 -0.000 0.000 0.223 141 T C 0.665 175.556 174.700 0.319 0.000 0.933 141 T CA 0.879 63.179 62.100 0.333 0.000 1.445 141 T CB -0.530 68.546 68.868 0.346 0.000 1.286 141 T HN 0.843 nan 8.240 nan 0.000 0.436 142 S N 0.619 116.396 115.700 0.129 0.000 2.688 142 S HA 0.656 5.126 4.470 -0.000 0.000 0.275 142 S C -3.365 171.050 174.600 -0.308 0.000 1.175 142 S CA -1.594 56.550 58.200 -0.094 0.000 0.818 142 S CB 1.028 64.157 63.200 -0.119 0.000 1.157 142 S HN 0.206 nan 8.310 nan 0.000 0.482 143 P HA 0.459 nan 4.420 nan 0.000 0.265 143 P C -1.008 176.163 177.300 -0.214 0.000 1.193 143 P CA 0.359 63.247 63.100 -0.353 0.000 0.765 143 P CB 0.417 31.849 31.700 -0.446 0.000 0.823 144 A N 2.365 125.142 122.820 -0.072 0.000 2.587 144 A HA 0.710 5.030 4.320 -0.000 0.000 0.293 144 A C -0.977 176.637 177.584 0.049 0.000 1.087 144 A CA -0.488 51.532 52.037 -0.029 0.000 0.692 144 A CB 1.610 20.389 19.000 -0.368 0.000 1.291 144 A HN 0.324 nan 8.150 nan 0.000 0.407 145 S N 0.049 115.846 115.700 0.162 0.000 2.756 145 S HA 0.439 4.908 4.470 -0.000 0.000 0.303 145 S C 0.966 175.660 174.600 0.156 0.000 1.135 145 S CA 0.255 58.489 58.200 0.057 0.000 1.066 145 S CB 1.406 64.562 63.200 -0.073 0.000 1.008 145 S HN 1.310 nan 8.310 nan 0.000 0.482 146 S N 2.830 118.673 115.700 0.239 0.000 2.370 146 S HA -0.134 4.336 4.470 -0.000 0.000 0.226 146 S C 1.210 175.854 174.600 0.073 0.000 1.033 146 S CA 2.058 60.391 58.200 0.223 0.000 1.011 146 S CB -0.291 63.027 63.200 0.196 0.000 0.852 146 S HN 0.906 nan 8.310 nan 0.000 0.457 147 D N -0.260 120.164 120.400 0.040 0.000 2.368 147 D HA 0.096 4.736 4.640 -0.000 0.000 0.218 147 D C 0.492 176.796 176.300 0.006 0.000 1.112 147 D CA -0.024 53.980 54.000 0.007 0.000 0.834 147 D CB -0.072 40.722 40.800 -0.010 0.000 0.953 147 D HN 0.473 nan 8.370 nan 0.000 0.505 148 Q N 1.048 120.864 119.800 0.026 0.000 3.557 148 Q HA 0.150 4.490 4.340 -0.000 0.000 0.264 148 Q C -2.165 173.886 176.000 0.085 0.000 0.850 148 Q CA -1.169 54.655 55.803 0.034 0.000 0.833 148 Q CB 1.546 30.283 28.738 -0.001 0.000 1.505 148 Q HN -0.151 nan 8.270 nan 0.000 0.402 149 P HA -0.200 nan 4.420 nan 0.000 0.222 149 P C 0.911 178.250 177.300 0.066 0.000 1.142 149 P CA 1.364 64.505 63.100 0.068 0.000 0.788 149 P CB 0.269 31.992 31.700 0.038 0.000 0.767 150 S N -1.749 113.994 115.700 0.071 0.000 2.522 150 S HA -0.056 4.414 4.470 -0.000 0.000 0.227 150 S C 0.585 175.232 174.600 0.078 0.000 0.986 150 S CA -0.481 57.754 58.200 0.057 0.000 0.929 150 S CB -1.191 62.037 63.200 0.047 0.000 0.769 150 S HN 0.011 nan 8.310 nan 0.000 0.529 151 F N 3.656 123.575 119.950 -0.051 0.000 2.504 151 F HA 0.533 5.060 4.527 -0.000 0.000 0.369 151 F C 0.994 176.734 175.800 -0.100 0.000 1.082 151 F CA -0.349 57.600 58.000 -0.085 0.000 1.216 151 F CB -0.001 38.943 39.000 -0.095 0.000 1.108 151 F HN 0.487 nan 8.300 nan 0.000 0.554 152 A N 4.870 127.209 122.820 -0.802 0.000 5.481 152 A HA -0.353 3.967 4.320 -0.000 0.000 0.318 152 A C 0.988 178.391 177.584 -0.302 0.000 1.837 152 A CA 1.565 53.191 52.037 -0.684 0.000 0.717 152 A CB -1.495 16.891 19.000 -1.022 0.000 1.349 152 A HN 0.822 nan 8.150 nan 0.000 0.388 153 E N 0.870 120.928 120.200 -0.236 0.000 2.585 153 E HA 0.264 4.614 4.350 -0.000 0.000 0.206 153 E C 0.387 176.956 176.600 -0.052 0.000 1.007 153 E CA 0.401 56.756 56.400 -0.076 0.000 1.028 153 E CB -0.108 29.594 29.700 0.003 0.000 1.087 153 E HN 0.654 nan 8.360 nan 0.000 0.455 154 N N 0.513 119.160 118.700 -0.088 0.000 2.714 154 N HA -0.251 4.489 4.740 -0.000 0.000 0.250 154 N C 0.715 176.164 175.510 -0.103 0.000 1.117 154 N CA 0.292 53.318 53.050 -0.041 0.000 0.719 154 N CB -0.729 37.763 38.487 0.009 0.000 1.081 154 N HN 0.546 nan 8.380 nan 0.000 0.557 155 G N 0.151 108.862 108.800 -0.150 0.000 2.233 155 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.270 155 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.270 155 G C 0.192 175.075 174.900 -0.029 0.000 1.011 155 G CA 0.783 45.780 45.100 -0.172 0.000 0.762 155 G HN 0.633 nan 8.290 nan 0.000 0.511 156 R N -0.938 119.585 120.500 0.039 0.000 2.585 156 R HA 0.299 4.639 4.340 -0.000 0.000 0.275 156 R C 0.184 176.581 176.300 0.161 0.000 1.018 156 R CA -0.105 56.045 56.100 0.084 0.000 1.072 156 R CB 0.422 30.746 30.300 0.040 0.000 0.953 156 R HN 0.281 nan 8.270 nan 0.000 0.419 157 L N 4.317 125.592 121.223 0.086 0.000 2.322 157 L HA 0.387 4.727 4.340 -0.000 0.000 0.281 157 L C -1.484 175.306 176.870 -0.133 0.000 1.014 157 L CA -0.453 54.445 54.840 0.097 0.000 0.815 157 L CB 1.052 43.144 42.059 0.055 0.000 1.247 157 L HN 0.387 nan 8.230 nan 0.000 0.421 158 Y N 1.979 122.320 120.300 0.069 0.000 2.509 158 Y HA 0.475 5.025 4.550 -0.000 0.000 0.341 158 Y C -0.438 175.524 175.900 0.105 0.000 1.038 158 Y CA -0.855 57.284 58.100 0.065 0.000 1.089 158 Y CB 1.603 40.125 38.460 0.104 0.000 1.241 158 Y HN 0.571 nan 8.280 nan 0.000 0.468 159 D N 2.119 122.672 120.400 0.255 0.000 2.462 159 D HA 0.138 4.778 4.640 -0.000 0.000 0.249 159 D C -0.357 176.129 176.300 0.309 0.000 1.117 159 D CA -0.352 53.864 54.000 0.361 0.000 0.900 159 D CB -0.139 40.800 40.800 0.231 0.000 1.039 159 D HN 0.572 nan 8.370 nan 0.000 0.516 160 N N 3.517 122.407 118.700 0.315 0.000 2.725 160 N HA -0.237 4.503 4.740 -0.000 0.000 0.251 160 N C 0.977 176.589 175.510 0.170 0.000 1.031 160 N CA 1.980 55.153 53.050 0.204 0.000 0.720 160 N CB -1.075 37.504 38.487 0.153 0.000 0.930 160 N HN 0.837 nan 8.380 nan 0.000 0.543 161 G N -2.457 106.463 108.800 0.200 0.000 2.308 161 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.221 161 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.221 161 G C 0.259 175.330 174.900 0.286 0.000 1.032 161 G CA 0.288 45.489 45.100 0.169 0.000 0.623 161 G HN 0.727 nan 8.290 nan 0.000 0.506 162 T N 2.660 117.364 114.554 0.249 0.000 2.761 162 T HA 0.513 4.863 4.350 -0.000 0.000 0.296 162 T C 0.233 175.027 174.700 0.155 0.000 0.934 162 T CA -0.156 62.059 62.100 0.191 0.000 1.091 162 T CB 1.749 70.684 68.868 0.112 0.000 0.896 162 T HN 0.675 nan 8.240 nan 0.000 0.515 163 L N 5.178 126.437 121.223 0.060 0.000 2.513 163 L HA 0.180 4.520 4.340 -0.000 0.000 0.272 163 L C 0.716 177.459 176.870 -0.212 0.000 1.187 163 L CA 0.432 55.077 54.840 -0.325 0.000 0.895 163 L CB -0.056 41.807 42.059 -0.327 0.000 1.147 163 L HN 0.708 nan 8.230 nan 0.000 0.483 164 L N 4.497 125.561 121.223 -0.266 0.000 2.221 164 L HA 0.457 4.797 4.340 -0.000 0.000 0.202 164 L C 1.054 177.836 176.870 -0.146 0.000 1.074 164 L CA 0.534 55.261 54.840 -0.188 0.000 0.795 164 L CB -0.328 41.580 42.059 -0.252 0.000 0.960 164 L HN 0.865 nan 8.230 nan 0.000 0.458 165 G N -1.393 107.324 108.800 -0.139 0.000 2.325 165 G HA2 0.420 4.380 3.960 -0.000 0.000 0.297 165 G HA3 0.420 4.380 3.960 -0.000 0.000 0.297 165 G C -1.440 173.523 174.900 0.105 0.000 1.448 165 G CA -0.171 44.917 45.100 -0.020 0.000 0.838 165 G HN 0.150 nan 8.290 nan 0.000 0.579 166 G N -1.850 107.033 108.800 0.137 0.000 2.788 166 G HA2 0.515 4.475 3.960 -0.000 0.000 0.293 166 G HA3 0.515 4.475 3.960 -0.000 0.000 0.293 166 G C 0.214 175.165 174.900 0.085 0.000 1.305 166 G CA -0.315 44.851 45.100 0.110 0.000 1.005 166 G HN 0.687 nan 8.290 nan 0.000 0.496 167 Y N 0.149 120.265 120.300 -0.306 0.000 2.314 167 Y HA 0.105 4.655 4.550 -0.000 0.000 0.293 167 Y C 1.850 177.743 175.900 -0.012 0.000 1.129 167 Y CA 1.250 59.153 58.100 -0.328 0.000 1.201 167 Y CB 0.019 38.227 38.460 -0.419 0.000 0.999 167 Y HN 0.308 nan 8.280 nan 0.000 0.541 168 T N 1.583 116.145 114.554 0.013 0.000 2.869 168 T HA 0.088 4.438 4.350 -0.000 0.000 0.295 168 T C 0.116 174.778 174.700 -0.064 0.000 0.987 168 T CA 0.069 62.145 62.100 -0.041 0.000 1.109 168 T CB 0.557 69.427 68.868 0.004 0.000 0.932 168 T HN 0.404 nan 8.240 nan 0.000 0.518 169 N N 1.914 120.545 118.700 -0.115 0.000 2.740 169 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 169 N C -0.701 174.758 175.510 -0.085 0.000 1.062 169 N CA 0.470 53.458 53.050 -0.104 0.000 0.704 169 N CB -0.935 37.515 38.487 -0.061 0.000 0.968 169 N HN 0.657 nan 8.380 nan 0.000 0.547 170 D N -0.513 119.818 120.400 -0.115 0.000 2.600 170 D HA 0.130 4.770 4.640 -0.000 0.000 0.226 170 D C 1.481 177.752 176.300 -0.049 0.000 1.119 170 D CA 0.612 54.611 54.000 -0.002 0.000 1.051 170 D CB -0.184 40.733 40.800 0.194 0.000 1.106 170 D HN 0.413 nan 8.370 nan 0.000 0.491 171 T N -0.624 113.898 114.554 -0.054 0.000 3.007 171 T HA -0.171 4.179 4.350 -0.000 0.000 0.270 171 T C 1.465 176.140 174.700 -0.041 0.000 1.107 171 T CA 0.863 62.928 62.100 -0.059 0.000 1.118 171 T CB -0.114 68.723 68.868 -0.052 0.000 0.889 171 T HN 0.348 nan 8.240 nan 0.000 0.506 172 Q N 0.904 120.686 119.800 -0.029 0.000 2.398 172 Q HA 0.196 4.536 4.340 -0.000 0.000 0.204 172 Q C 0.105 176.080 176.000 -0.041 0.000 0.932 172 Q CA 0.043 55.822 55.803 -0.040 0.000 0.916 172 Q CB -0.153 28.551 28.738 -0.057 0.000 1.024 172 Q HN 0.678 nan 8.270 nan 0.000 0.504 173 N N -0.113 118.584 118.700 -0.005 0.000 2.780 173 N HA -0.173 4.567 4.740 -0.000 0.000 0.247 173 N C 0.186 175.642 175.510 -0.090 0.000 1.076 173 N CA -0.169 52.892 53.050 0.018 0.000 0.688 173 N CB -1.075 37.413 38.487 0.003 0.000 0.957 173 N HN 0.217 nan 8.380 nan 0.000 0.551 174 L N -1.224 119.902 121.223 -0.162 0.000 2.217 174 L HA 0.094 4.434 4.340 -0.000 0.000 0.211 174 L C 0.470 176.891 176.870 -0.749 0.000 1.107 174 L CA 1.027 55.569 54.840 -0.496 0.000 0.783 174 L CB -0.080 41.577 42.059 -0.670 0.000 0.919 174 L HN 0.158 nan 8.230 nan 0.000 0.442 175 F N -2.586 117.270 119.950 -0.157 0.000 2.618 175 F HA 0.387 4.914 4.527 -0.000 0.000 0.332 175 F C 0.350 175.944 175.800 -0.343 0.000 1.061 175 F CA -1.005 56.849 58.000 -0.245 0.000 0.974 175 F CB 0.744 39.710 39.000 -0.057 0.000 1.310 175 F HN -0.237 nan 8.300 nan 0.000 0.491 176 H N 0.041 119.087 119.070 -0.040 0.000 2.525 176 H HA 0.301 4.856 4.556 -0.000 0.000 0.339 176 H C -0.612 174.505 175.328 -0.351 0.000 1.109 176 H CA -0.417 55.560 56.048 -0.117 0.000 1.352 176 H CB 0.719 30.480 29.762 -0.002 0.000 1.461 176 H HN 0.451 nan 8.280 nan 0.000 0.533 177 H N 2.707 121.877 119.070 0.168 0.000 2.471 177 H HA 0.134 4.690 4.556 -0.000 0.000 0.234 177 H C -0.192 175.148 175.328 0.020 0.000 1.388 177 H CA -0.278 55.803 56.048 0.054 0.000 1.198 177 H CB 0.158 29.867 29.762 -0.087 0.000 1.714 177 H HN 0.648 nan 8.280 nan 0.000 0.536 178 N N 0.964 119.705 118.700 0.068 0.000 2.328 178 N HA 0.157 4.897 4.740 -0.000 0.000 0.247 178 N C 1.181 176.679 175.510 -0.020 0.000 1.165 178 N CA 0.548 53.592 53.050 -0.009 0.000 0.873 178 N CB 1.844 40.284 38.487 -0.078 0.000 1.125 178 N HN 0.678 nan 8.380 nan 0.000 0.513 179 G N 0.124 108.935 108.800 0.019 0.000 2.598 179 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.244 179 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.244 179 G C -0.039 174.826 174.900 -0.058 0.000 1.302 179 G CA -0.408 44.685 45.100 -0.012 0.000 0.903 179 G HN 0.468 nan 8.290 nan 0.000 0.575 180 G N -1.240 107.502 108.800 -0.097 0.000 2.432 180 G HA2 0.702 4.662 3.960 -0.000 0.000 0.331 180 G HA3 0.702 4.662 3.960 -0.000 0.000 0.331 180 G C 0.006 174.768 174.900 -0.230 0.000 1.170 180 G CA 0.997 45.998 45.100 -0.165 0.000 0.943 180 G HN 1.276 nan 8.290 nan 0.000 0.483 181 T N -0.641 113.687 114.554 -0.376 0.000 2.913 181 T HA 0.272 4.622 4.350 -0.000 0.000 0.297 181 T C 0.685 175.068 174.700 -0.529 0.000 1.029 181 T CA 0.002 61.806 62.100 -0.493 0.000 1.104 181 T CB 0.836 69.265 68.868 -0.731 0.000 0.964 181 T HN 0.590 nan 8.240 nan 0.000 0.532 182 D N 2.599 122.787 120.400 -0.353 0.000 2.440 182 D HA 0.063 4.703 4.640 -0.000 0.000 0.216 182 D C 0.481 176.797 176.300 0.027 0.000 1.150 182 D CA -0.436 53.489 54.000 -0.125 0.000 0.832 182 D CB -0.691 40.074 40.800 -0.057 0.000 0.992 182 D HN 0.611 nan 8.370 nan 0.000 0.502 183 F N 0.602 120.470 119.950 -0.136 0.000 3.069 183 F HA -0.308 4.219 4.527 -0.000 0.000 0.285 183 F C 1.818 177.522 175.800 -0.159 0.000 0.827 183 F CA 0.774 58.686 58.000 -0.146 0.000 1.108 183 F CB -2.576 36.342 39.000 -0.137 0.000 1.252 183 F HN 0.179 nan 8.300 nan 0.000 0.483 184 S N -1.470 114.207 115.700 -0.038 0.000 2.453 184 S HA 0.197 4.667 4.470 -0.000 0.000 0.231 184 S C 0.816 175.350 174.600 -0.110 0.000 1.005 184 S CA 0.649 58.814 58.200 -0.059 0.000 0.949 184 S CB 0.220 63.384 63.200 -0.060 0.000 0.774 184 S HN 0.883 nan 8.310 nan 0.000 0.510 185 S N -1.406 114.196 115.700 -0.163 0.000 2.588 185 S HA 0.550 5.020 4.470 -0.000 0.000 0.269 185 S C -0.032 174.408 174.600 -0.266 0.000 1.157 185 S CA -0.901 57.175 58.200 -0.207 0.000 0.824 185 S CB -0.042 63.092 63.200 -0.111 0.000 1.126 185 S HN 0.058 nan 8.310 nan 0.000 0.464 186 Y N 0.834 121.104 120.300 -0.049 0.000 2.181 186 Y HA -0.092 4.458 4.550 -0.000 0.000 0.288 186 Y C 2.750 178.464 175.900 -0.310 0.000 1.146 186 Y CA 1.959 59.996 58.100 -0.105 0.000 1.164 186 Y CB -0.162 38.369 38.460 0.119 0.000 0.982 186 Y HN 0.955 nan 8.280 nan 0.000 0.515 187 E N 0.393 120.378 120.200 -0.358 0.000 2.085 187 E HA -0.292 4.058 4.350 -0.000 0.000 0.194 187 E C 1.980 178.434 176.600 -0.243 0.000 0.994 187 E CA 1.578 57.589 56.400 -0.647 0.000 0.801 187 E CB -0.266 28.905 29.700 -0.881 0.000 0.743 187 E HN 0.465 nan 8.360 nan 0.000 0.453 188 D N -0.511 119.766 120.400 -0.207 0.000 2.117 188 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 188 D C 1.848 178.016 176.300 -0.220 0.000 0.987 188 D CA 1.431 55.324 54.000 -0.178 0.000 0.829 188 D CB -0.198 40.495 40.800 -0.178 0.000 0.961 188 D HN 0.334 nan 8.370 nan 0.000 0.460 189 G N 0.103 108.767 108.800 -0.227 0.000 2.744 189 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.211 189 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.211 189 G C 1.737 176.586 174.900 -0.085 0.000 1.143 189 G CA -0.028 44.962 45.100 -0.184 0.000 0.788 189 G HN 0.304 nan 8.290 nan 0.000 0.534 190 I N -1.504 118.925 120.570 -0.235 0.000 2.729 190 I HA 0.115 4.285 4.170 -0.000 0.000 0.256 190 I C 1.405 177.224 176.117 -0.497 0.000 1.115 190 I CA 0.435 61.494 61.300 -0.401 0.000 1.446 190 I CB 0.263 37.859 38.000 -0.673 0.000 1.176 190 I HN 0.069 nan 8.210 nan 0.000 0.446 191 Y N 1.079 121.268 120.300 -0.185 0.000 2.468 191 Y HA 0.289 4.839 4.550 -0.000 0.000 0.268 191 Y C 0.819 176.506 175.900 -0.355 0.000 1.177 191 Y CA -0.209 57.670 58.100 -0.369 0.000 1.265 191 Y CB 0.054 38.297 38.460 -0.362 0.000 1.103 191 Y HN -0.075 nan 8.280 nan 0.000 0.522 192 R N -0.049 120.373 120.500 -0.129 0.000 2.902 192 R HA 0.321 4.661 4.340 -0.000 0.000 0.258 192 R C -0.589 175.625 176.300 -0.142 0.000 1.071 192 R CA -1.216 54.809 56.100 -0.126 0.000 1.024 192 R CB 0.745 30.943 30.300 -0.170 0.000 1.184 192 R HN -0.021 nan 8.270 nan 0.000 0.492 193 N N 1.294 119.911 118.700 -0.139 0.000 2.518 193 N HA 0.029 4.769 4.740 -0.000 0.000 0.266 193 N C -0.616 174.690 175.510 -0.340 0.000 1.196 193 N CA -0.227 52.712 53.050 -0.185 0.000 0.947 193 N CB 0.519 38.905 38.487 -0.168 0.000 1.098 193 N HN 0.260 nan 8.380 nan 0.000 0.450 194 L N 5.317 126.299 121.223 -0.401 0.000 2.295 194 L HA 0.176 4.516 4.340 -0.000 0.000 0.288 194 L C -0.521 176.055 176.870 -0.489 0.000 1.079 194 L CA 0.280 54.718 54.840 -0.670 0.000 0.830 194 L CB -1.167 40.482 42.059 -0.685 0.000 1.200 194 L HN 0.487 nan 8.230 nan 0.000 0.438 195 Y N 1.744 121.914 120.300 -0.216 0.000 2.887 195 Y HA -0.383 4.166 4.550 -0.000 0.000 0.467 195 Y C 1.258 177.058 175.900 -0.166 0.000 1.191 195 Y CA 1.244 59.252 58.100 -0.153 0.000 2.537 195 Y CB -1.370 37.011 38.460 -0.133 0.000 1.225 195 Y HN 0.776 nan 8.280 nan 0.000 0.630 196 D N 0.946 121.381 120.400 0.057 0.000 2.424 196 D HA 0.246 4.886 4.640 -0.000 0.000 0.220 196 D C -0.243 175.967 176.300 -0.151 0.000 1.150 196 D CA 0.081 54.048 54.000 -0.055 0.000 0.831 196 D CB -0.636 40.176 40.800 0.021 0.000 0.981 196 D HN 0.410 nan 8.370 nan 0.000 0.500 197 L N 1.218 122.343 121.223 -0.163 0.000 2.360 197 L HA 0.393 4.733 4.340 -0.000 0.000 0.276 197 L C 0.755 177.476 176.870 -0.248 0.000 1.121 197 L CA -0.914 53.795 54.840 -0.217 0.000 0.845 197 L CB 0.860 42.729 42.059 -0.316 0.000 1.143 197 L HN -0.001 nan 8.230 nan 0.000 0.452 198 A N 2.768 125.397 122.820 -0.318 0.000 2.526 198 A HA -0.002 4.318 4.320 -0.000 0.000 0.267 198 A C -0.010 177.604 177.584 0.051 0.000 1.095 198 A CA -0.182 51.591 52.037 -0.439 0.000 0.775 198 A CB -0.379 18.217 19.000 -0.673 0.000 1.036 198 A HN 0.737 nan 8.150 nan 0.000 0.510 199 D N 2.706 123.154 120.400 0.080 0.000 2.339 199 D HA 0.347 4.986 4.640 -0.000 0.000 0.256 199 D C 0.111 176.464 176.300 0.088 0.000 1.214 199 D CA 0.153 54.232 54.000 0.132 0.000 0.877 199 D CB 0.289 41.168 40.800 0.132 0.000 1.111 199 D HN 0.488 nan 8.370 nan 0.000 0.478 200 L N 3.526 124.703 121.223 -0.077 0.000 2.456 200 L HA 0.102 4.441 4.340 -0.000 0.000 0.272 200 L C 0.703 177.059 176.870 -0.857 0.000 1.189 200 L CA -0.205 54.342 54.840 -0.488 0.000 0.846 200 L CB 0.349 42.048 42.059 -0.600 0.000 1.111 200 L HN 0.432 nan 8.230 nan 0.000 0.475 201 N N 1.132 119.299 118.700 -0.888 0.000 2.558 201 N HA 0.109 4.849 4.740 -0.000 0.000 0.233 201 N C 0.457 175.562 175.510 -0.675 0.000 1.038 201 N CA -0.257 52.291 53.050 -0.836 0.000 0.934 201 N CB 0.373 38.524 38.487 -0.560 0.000 1.175 201 N HN 0.418 nan 8.380 nan 0.000 0.512 202 H N 1.123 119.887 119.070 -0.509 0.000 2.559 202 H HA 0.017 4.573 4.556 -0.000 0.000 0.273 202 H C 1.119 176.272 175.328 -0.292 0.000 1.000 202 H CA 0.619 56.264 56.048 -0.672 0.000 1.195 202 H CB 0.219 29.091 29.762 -1.482 0.000 1.368 202 H HN 0.547 nan 8.280 nan 0.000 0.592 203 N N 0.555 119.232 118.700 -0.039 0.000 2.463 203 N HA -0.109 4.631 4.740 -0.000 0.000 0.181 203 N C 0.142 175.665 175.510 0.022 0.000 1.078 203 N CA -0.052 53.042 53.050 0.073 0.000 0.902 203 N CB 0.148 38.716 38.487 0.135 0.000 0.970 203 N HN 0.174 nan 8.380 nan 0.000 0.451 204 N N 0.266 118.927 118.700 -0.066 0.000 2.430 204 N HA 0.034 4.774 4.740 -0.000 0.000 0.265 204 N C 0.162 175.654 175.510 -0.029 0.000 1.100 204 N CA 0.167 53.175 53.050 -0.070 0.000 0.961 204 N CB 1.153 39.546 38.487 -0.156 0.000 1.075 204 N HN 0.032 nan 8.380 nan 0.000 0.478 205 S N 2.508 118.216 115.700 0.013 0.000 2.387 205 S HA -0.136 4.334 4.470 -0.000 0.000 0.230 205 S C 1.593 176.223 174.600 0.049 0.000 1.035 205 S CA 1.709 59.941 58.200 0.052 0.000 1.014 205 S CB -0.091 63.139 63.200 0.050 0.000 0.836 205 S HN 0.726 nan 8.310 nan 0.000 0.466 206 T N 1.914 116.470 114.554 0.004 0.000 2.708 206 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 206 T C 1.947 176.661 174.700 0.023 0.000 1.037 206 T CA 1.390 63.492 62.100 0.003 0.000 1.146 206 T CB -0.476 68.357 68.868 -0.058 0.000 0.865 206 T HN 0.211 nan 8.240 nan 0.000 0.435 207 V N 1.807 121.681 119.914 -0.067 0.000 2.295 207 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 207 V C 2.381 178.525 176.094 0.083 0.000 1.049 207 V CA 2.116 64.361 62.300 -0.091 0.000 1.024 207 V CB -0.712 30.915 31.823 -0.328 0.000 0.648 207 V HN 0.517 nan 8.190 nan 0.000 0.447 208 D N 0.176 120.647 120.400 0.118 0.000 2.087 208 D HA -0.174 4.466 4.640 -0.000 0.000 0.192 208 D C 2.015 178.522 176.300 0.345 0.000 0.993 208 D CA 1.932 56.139 54.000 0.345 0.000 0.828 208 D CB -0.196 40.816 40.800 0.353 0.000 0.968 208 D HN 0.171 nan 8.370 nan 0.000 0.448 209 V N -0.119 119.932 119.914 0.229 0.000 2.343 209 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 209 V C 2.166 178.376 176.094 0.193 0.000 1.051 209 V CA 1.958 64.367 62.300 0.181 0.000 1.036 209 V CB -0.946 30.954 31.823 0.129 0.000 0.654 209 V HN 0.348 nan 8.190 nan 0.000 0.451 210 Y N 0.660 121.015 120.300 0.092 0.000 2.097 210 Y HA -0.261 4.289 4.550 -0.000 0.000 0.282 210 Y C 2.219 178.202 175.900 0.139 0.000 1.152 210 Y CA 1.873 60.025 58.100 0.086 0.000 1.136 210 Y CB -0.366 38.115 38.460 0.035 0.000 0.975 210 Y HN 0.147 nan 8.280 nan 0.000 0.498 211 L N -0.055 121.246 121.223 0.130 0.000 2.093 211 L HA -0.214 4.125 4.340 -0.000 0.000 0.208 211 L C 2.403 179.469 176.870 0.326 0.000 1.085 211 L CA 1.651 56.580 54.840 0.149 0.000 0.755 211 L CB -0.486 41.781 42.059 0.347 0.000 0.904 211 L HN 0.173 nan 8.230 nan 0.000 0.435 212 K N -0.340 120.239 120.400 0.299 0.000 2.103 212 K HA -0.134 4.186 4.320 -0.000 0.000 0.204 212 K C 1.662 178.251 176.600 -0.019 0.000 1.052 212 K CA 1.117 57.481 56.287 0.128 0.000 0.945 212 K CB -0.045 32.498 32.500 0.071 0.000 0.722 212 K HN 0.202 nan 8.250 nan 0.000 0.443 213 D N 0.703 121.088 120.400 -0.025 0.000 2.144 213 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 213 D C 1.822 178.073 176.300 -0.082 0.000 0.978 213 D CA 1.128 55.078 54.000 -0.083 0.000 0.833 213 D CB -0.117 40.649 40.800 -0.057 0.000 0.961 213 D HN 0.174 nan 8.370 nan 0.000 0.470 214 A N 0.849 123.627 122.820 -0.072 0.000 1.877 214 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 214 A C 2.225 179.939 177.584 0.216 0.000 1.186 214 A CA 1.006 53.080 52.037 0.060 0.000 0.620 214 A CB -0.716 18.349 19.000 0.108 0.000 0.822 214 A HN 0.214 nan 8.150 nan 0.000 0.443 215 I N -0.141 120.524 120.570 0.157 0.000 2.361 215 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 215 I C 2.111 178.242 176.117 0.023 0.000 1.133 215 I CA 1.572 62.872 61.300 -0.000 0.000 1.413 215 I CB -0.275 37.620 38.000 -0.176 0.000 1.073 215 I HN 0.268 nan 8.210 nan 0.000 0.424 216 K N -0.412 119.955 120.400 -0.055 0.000 2.097 216 K HA -0.218 4.102 4.320 -0.000 0.000 0.206 216 K C 2.171 178.764 176.600 -0.012 0.000 1.049 216 K CA 1.913 58.151 56.287 -0.082 0.000 0.933 216 K CB -0.324 31.985 32.500 -0.318 0.000 0.717 216 K HN 0.407 nan 8.250 nan 0.000 0.442 217 M N -0.286 119.256 119.600 -0.097 0.000 2.080 217 M HA -0.203 4.277 4.480 -0.000 0.000 0.260 217 M C 1.431 177.571 176.300 -0.266 0.000 1.068 217 M CA 1.867 57.031 55.300 -0.227 0.000 1.109 217 M CB -0.174 32.187 32.600 -0.399 0.000 1.342 217 M HN 0.212 nan 8.290 nan 0.000 0.405 218 W N 0.512 121.805 121.300 -0.012 0.000 2.388 218 W HA -0.087 4.573 4.660 -0.000 0.000 0.294 218 W C 2.050 178.601 176.519 0.053 0.000 1.212 218 W CA 0.643 57.977 57.345 -0.019 0.000 1.271 218 W CB -0.473 28.950 29.460 -0.061 0.000 1.126 218 W HN 0.197 nan 8.180 nan 0.000 0.535 219 L N -0.074 121.289 121.223 0.233 0.000 2.083 219 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 219 L C 1.817 178.791 176.870 0.175 0.000 1.083 219 L CA 1.122 56.084 54.840 0.202 0.000 0.752 219 L CB -0.674 41.514 42.059 0.214 0.000 0.899 219 L HN -0.088 nan 8.230 nan 0.000 0.433 220 D N -0.022 120.470 120.400 0.154 0.000 2.264 220 D HA -0.083 4.556 4.640 -0.000 0.000 0.208 220 D C 2.159 178.514 176.300 0.093 0.000 0.966 220 D CA 0.947 55.015 54.000 0.113 0.000 0.864 220 D CB 0.076 40.928 40.800 0.086 0.000 0.933 220 D HN 0.309 nan 8.370 nan 0.000 0.499 221 L N -0.586 120.707 121.223 0.117 0.000 2.599 221 L HA 0.131 4.471 4.340 -0.000 0.000 0.230 221 L C 1.356 178.364 176.870 0.229 0.000 1.141 221 L CA 0.421 55.368 54.840 0.178 0.000 0.877 221 L CB 0.017 42.223 42.059 0.245 0.000 1.009 221 L HN 0.118 nan 8.230 nan 0.000 0.447 222 G N 1.005 109.930 108.800 0.209 0.000 2.131 222 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.223 222 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.223 222 G C 0.392 175.444 174.900 0.253 0.000 0.990 222 G CA 0.097 45.321 45.100 0.207 0.000 0.671 222 G HN 0.411 nan 8.290 nan 0.000 0.521 223 I N -2.409 118.335 120.570 0.290 0.000 2.892 223 I HA 0.404 4.574 4.170 -0.000 0.000 0.287 223 I C 0.605 176.887 176.117 0.275 0.000 1.205 223 I CA 0.093 61.568 61.300 0.291 0.000 1.409 223 I CB 0.563 38.751 38.000 0.313 0.000 1.367 223 I HN -0.076 nan 8.210 nan 0.000 0.597 224 D N 3.216 123.808 120.400 0.321 0.000 2.417 224 D HA 0.271 4.911 4.640 -0.000 0.000 0.207 224 D C 0.618 177.187 176.300 0.448 0.000 1.075 224 D CA 0.384 54.611 54.000 0.379 0.000 0.851 224 D CB 1.217 42.276 40.800 0.431 0.000 0.976 224 D HN 0.857 nan 8.370 nan 0.000 0.505 225 G N 0.281 109.260 108.800 0.298 0.000 2.576 225 G HA2 0.572 4.532 3.960 -0.000 0.000 0.290 225 G HA3 0.572 4.532 3.960 -0.000 0.000 0.290 225 G C -1.787 173.125 174.900 0.020 0.000 1.442 225 G CA -0.685 44.499 45.100 0.141 0.000 0.792 225 G HN -0.006 nan 8.290 nan 0.000 0.491 226 I N 0.460 120.950 120.570 -0.132 0.000 2.569 226 I HA 0.488 4.658 4.170 -0.000 0.000 0.290 226 I C -0.380 175.349 176.117 -0.646 0.000 1.088 226 I CA -0.961 60.194 61.300 -0.241 0.000 1.047 226 I CB 2.442 40.365 38.000 -0.128 0.000 1.237 226 I HN 0.303 nan 8.210 nan 0.000 0.421 227 R N 7.509 127.555 120.500 -0.757 0.000 2.239 227 R HA 0.452 4.792 4.340 -0.000 0.000 0.332 227 R C -1.213 174.806 176.300 -0.467 0.000 0.988 227 R CA -0.641 54.713 56.100 -1.243 0.000 0.859 227 R CB 0.992 30.351 30.300 -1.568 0.000 1.148 227 R HN 0.572 nan 8.270 nan 0.000 0.482 228 M N 3.063 122.469 119.600 -0.323 0.000 2.146 228 M HA 0.107 4.587 4.480 -0.000 0.000 0.352 228 M C -0.100 176.235 176.300 0.058 0.000 1.343 228 M CA -0.414 54.874 55.300 -0.021 0.000 1.115 228 M CB 0.662 33.287 32.600 0.042 0.000 1.657 228 M HN 0.438 nan 8.290 nan 0.000 0.471 229 D N 2.753 123.238 120.400 0.142 0.000 2.350 229 D HA 0.425 5.065 4.640 -0.000 0.000 0.249 229 D C 0.354 176.760 176.300 0.176 0.000 1.119 229 D CA 0.392 54.511 54.000 0.198 0.000 0.886 229 D CB 0.794 41.756 40.800 0.271 0.000 1.195 229 D HN 0.834 nan 8.370 nan 0.000 0.437 230 A N 2.650 125.586 122.820 0.192 0.000 2.511 230 A HA -0.178 4.142 4.320 -0.000 0.000 0.297 230 A C 1.458 179.112 177.584 0.117 0.000 1.476 230 A CA 0.964 53.129 52.037 0.214 0.000 0.757 230 A CB -2.238 16.932 19.000 0.283 0.000 1.072 230 A HN 1.033 nan 8.150 nan 0.000 0.413 231 V N -1.804 118.139 119.914 0.049 0.000 2.913 231 V HA -0.106 4.014 4.120 -0.000 0.000 0.260 231 V C 1.887 177.820 176.094 -0.267 0.000 1.098 231 V CA 2.396 64.682 62.300 -0.023 0.000 1.121 231 V CB -0.610 31.245 31.823 0.053 0.000 0.714 231 V HN 0.707 nan 8.190 nan 0.000 0.487 232 K N -0.594 119.491 120.400 -0.526 0.000 2.439 232 K HA -0.079 4.241 4.320 -0.000 0.000 0.197 232 K C 1.505 177.679 176.600 -0.711 0.000 1.041 232 K CA 0.949 56.632 56.287 -1.006 0.000 0.970 232 K CB -0.115 31.496 32.500 -1.482 0.000 0.773 232 K HN 0.687 nan 8.250 nan 0.000 0.479 233 H N -0.665 118.283 119.070 -0.202 0.000 2.542 233 H HA 0.242 4.798 4.556 -0.000 0.000 0.283 233 H C -0.139 175.081 175.328 -0.179 0.000 1.059 233 H CA 0.066 56.001 56.048 -0.187 0.000 1.162 233 H CB 0.282 29.959 29.762 -0.143 0.000 1.539 233 H HN 0.143 nan 8.280 nan 0.000 0.543 234 M N 0.746 120.297 119.600 -0.082 0.000 2.602 234 M HA 0.359 4.839 4.480 -0.000 0.000 0.312 234 M C -2.600 173.609 176.300 -0.152 0.000 1.181 234 M CA -1.960 53.284 55.300 -0.093 0.000 0.910 234 M CB 2.623 35.213 32.600 -0.017 0.000 1.723 234 M HN -0.237 nan 8.290 nan 0.000 0.459 235 P HA -0.007 nan 4.420 nan 0.000 0.263 235 P C -0.132 177.256 177.300 0.147 0.000 1.195 235 P CA 0.143 63.170 63.100 -0.122 0.000 0.762 235 P CB 0.099 31.854 31.700 0.090 0.000 0.799 236 F N 2.457 122.540 119.950 0.221 0.000 2.171 236 F HA -0.078 4.449 4.527 -0.000 0.000 0.300 236 F C 2.439 178.407 175.800 0.281 0.000 1.090 236 F CA 1.572 59.815 58.000 0.406 0.000 1.293 236 F CB -2.022 37.273 39.000 0.491 0.000 1.013 236 F HN 0.353 nan 8.300 nan 0.000 0.486 237 G N -1.275 107.715 108.800 0.316 0.000 2.402 237 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.216 237 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.216 237 G C 1.552 176.583 174.900 0.218 0.000 1.162 237 G CA 0.533 45.773 45.100 0.233 0.000 0.777 237 G HN 0.478 nan 8.290 nan 0.000 0.539 238 W N 1.412 122.780 121.300 0.114 0.000 2.358 238 W HA -0.056 4.604 4.660 -0.000 0.000 0.303 238 W C 2.733 179.329 176.519 0.130 0.000 1.208 238 W CA 1.616 59.024 57.345 0.104 0.000 1.274 238 W CB -0.088 29.396 29.460 0.040 0.000 1.138 238 W HN 0.278 nan 8.180 nan 0.000 0.515 239 Q N 0.225 120.092 119.800 0.113 0.000 2.170 239 Q HA -0.255 4.085 4.340 -0.000 0.000 0.203 239 Q C 2.181 178.145 176.000 -0.060 0.000 0.976 239 Q CA 1.813 57.604 55.803 -0.020 0.000 0.858 239 Q CB -0.436 28.520 28.738 0.363 0.000 0.907 239 Q HN 0.372 nan 8.270 nan 0.000 0.433 240 K N 0.824 121.218 120.400 -0.010 0.000 2.057 240 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 240 K C 2.277 178.812 176.600 -0.108 0.000 1.049 240 K CA 1.583 57.836 56.287 -0.057 0.000 0.931 240 K CB -0.063 32.429 32.500 -0.012 0.000 0.714 240 K HN 0.185 nan 8.250 nan 0.000 0.440 241 S N -0.117 115.490 115.700 -0.155 0.000 2.402 241 S HA -0.156 4.314 4.470 -0.000 0.000 0.229 241 S C 1.872 176.306 174.600 -0.276 0.000 1.021 241 S CA 0.668 58.757 58.200 -0.184 0.000 0.974 241 S CB -0.565 62.541 63.200 -0.157 0.000 0.800 241 S HN 0.438 nan 8.310 nan 0.000 0.484 242 F N 2.079 121.659 119.950 -0.616 0.000 2.113 242 F HA 0.103 4.630 4.527 -0.000 0.000 0.297 242 F C 2.289 177.912 175.800 -0.294 0.000 1.103 242 F CA 1.342 58.992 58.000 -0.584 0.000 1.248 242 F CB -0.273 38.188 39.000 -0.898 0.000 0.999 242 F HN 0.096 nan 8.300 nan 0.000 0.475 243 M N 0.473 120.006 119.600 -0.111 0.000 2.213 243 M HA -0.108 4.372 4.480 -0.000 0.000 0.263 243 M C 2.460 178.655 176.300 -0.175 0.000 1.062 243 M CA 1.451 56.675 55.300 -0.127 0.000 1.105 243 M CB -2.023 30.543 32.600 -0.058 0.000 1.385 243 M HN 0.331 nan 8.290 nan 0.000 0.417 244 A N 0.037 122.759 122.820 -0.164 0.000 1.898 244 A HA 0.036 4.356 4.320 -0.000 0.000 0.216 244 A C 2.444 179.943 177.584 -0.142 0.000 1.181 244 A CA 1.939 53.901 52.037 -0.126 0.000 0.620 244 A CB -0.866 18.075 19.000 -0.098 0.000 0.819 244 A HN 0.454 nan 8.150 nan 0.000 0.442 245 A N -0.493 122.194 122.820 -0.222 0.000 1.902 245 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 245 A C 2.250 179.710 177.584 -0.206 0.000 1.181 245 A CA 1.885 53.786 52.037 -0.227 0.000 0.623 245 A CB -0.958 17.846 19.000 -0.327 0.000 0.818 245 A HN 0.374 nan 8.150 nan 0.000 0.443 246 V N 0.925 120.649 119.914 -0.317 0.000 2.261 246 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 246 V C 2.255 178.317 176.094 -0.053 0.000 1.047 246 V CA 2.212 64.390 62.300 -0.203 0.000 1.015 246 V CB -0.979 30.675 31.823 -0.280 0.000 0.642 246 V HN 0.558 nan 8.190 nan 0.000 0.446 247 N N 0.806 119.466 118.700 -0.066 0.000 2.244 247 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 247 N C 1.402 176.916 175.510 0.008 0.000 1.016 247 N CA 1.012 54.052 53.050 -0.016 0.000 0.866 247 N CB -0.518 37.956 38.487 -0.022 0.000 0.980 247 N HN 0.454 nan 8.380 nan 0.000 0.430 248 N N -0.396 118.307 118.700 0.006 0.000 2.461 248 N HA -0.052 4.688 4.740 -0.000 0.000 0.188 248 N C 0.639 176.205 175.510 0.093 0.000 1.134 248 N CA 0.171 53.239 53.050 0.030 0.000 0.878 248 N CB 0.225 38.718 38.487 0.010 0.000 0.972 248 N HN 0.373 nan 8.380 nan 0.000 0.456 249 Y N 0.757 121.022 120.300 -0.057 0.000 2.972 249 Y HA 0.345 4.895 4.550 -0.000 0.000 0.211 249 Y C -0.456 175.427 175.900 -0.029 0.000 0.969 249 Y CA 0.478 58.549 58.100 -0.049 0.000 1.574 249 Y CB 0.644 39.061 38.460 -0.072 0.000 1.364 249 Y HN -0.324 nan 8.280 nan 0.000 0.467 250 K N 2.635 122.945 120.400 -0.151 0.000 2.723 250 K HA 0.307 4.627 4.320 -0.000 0.000 0.229 250 K C -2.918 173.665 176.600 -0.027 0.000 1.022 250 K CA -2.051 54.117 56.287 -0.197 0.000 1.045 250 K CB 1.814 34.131 32.500 -0.305 0.000 1.227 250 K HN 0.089 nan 8.250 nan 0.000 0.516 251 P HA 0.024 nan 4.420 nan 0.000 0.271 251 P C -0.351 177.000 177.300 0.086 0.000 1.220 251 P CA -0.252 62.873 63.100 0.042 0.000 0.768 251 P CB 1.087 32.821 31.700 0.058 0.000 0.848 252 V N 1.156 121.135 119.914 0.109 0.000 2.925 252 V HA 0.480 4.600 4.120 -0.000 0.000 0.311 252 V C -0.418 175.802 176.094 0.211 0.000 1.104 252 V CA -1.434 60.977 62.300 0.186 0.000 0.954 252 V CB 1.674 33.598 31.823 0.168 0.000 1.022 252 V HN 0.341 nan 8.190 nan 0.000 0.427 253 F N 2.868 122.908 119.950 0.150 0.000 2.593 253 F HA 0.497 5.024 4.527 -0.000 0.000 0.393 253 F C 0.452 176.269 175.800 0.028 0.000 1.037 253 F CA 1.087 59.141 58.000 0.091 0.000 1.195 253 F CB 0.133 39.146 39.000 0.022 0.000 1.034 253 F HN 0.795 nan 8.300 nan 0.000 0.552 254 T N 8.230 122.480 114.554 -0.507 0.000 2.848 254 T HA 0.598 4.947 4.350 -0.000 0.000 0.285 254 T C -1.208 173.219 174.700 -0.456 0.000 0.995 254 T CA -0.304 61.546 62.100 -0.417 0.000 0.970 254 T CB 0.954 69.721 68.868 -0.169 0.000 0.976 254 T HN 0.400 nan 8.240 nan 0.000 0.441 255 F N -0.304 119.334 119.950 -0.519 0.000 2.578 255 F HA 0.887 5.414 4.527 -0.000 0.000 0.311 255 F C -0.016 175.708 175.800 -0.126 0.000 1.094 255 F CA -1.447 56.350 58.000 -0.339 0.000 0.923 255 F CB 1.020 39.783 39.000 -0.394 0.000 1.230 255 F HN 0.694 nan 8.300 nan 0.000 0.450 256 G N 0.693 109.579 108.800 0.143 0.000 2.454 256 G HA2 0.458 4.418 3.960 -0.000 0.000 0.329 256 G HA3 0.458 4.418 3.960 -0.000 0.000 0.329 256 G C -1.722 173.343 174.900 0.275 0.000 1.177 256 G CA -0.834 44.363 45.100 0.162 0.000 0.951 256 G HN 0.890 nan 8.290 nan 0.000 0.485 257 E N 0.836 121.188 120.200 0.252 0.000 2.089 257 E HA 0.104 4.454 4.350 -0.000 0.000 0.284 257 E C -1.214 175.578 176.600 0.320 0.000 1.023 257 E CA -0.746 55.876 56.400 0.370 0.000 0.819 257 E CB 0.752 30.662 29.700 0.351 0.000 1.076 257 E HN 0.476 nan 8.360 nan 0.000 0.396 258 W N 8.258 129.634 121.300 0.127 0.000 2.443 258 W HA 0.238 4.898 4.660 -0.000 0.000 0.303 258 W C -1.581 174.770 176.519 -0.280 0.000 0.991 258 W CA -1.427 55.900 57.345 -0.031 0.000 1.522 258 W CB 0.067 29.520 29.460 -0.012 0.000 1.315 258 W HN 0.455 nan 8.180 nan 0.000 0.419 259 F N 5.327 125.025 119.950 -0.420 0.000 2.607 259 F HA 0.233 4.759 4.527 -0.000 0.000 0.374 259 F C -0.396 175.201 175.800 -0.338 0.000 1.104 259 F CA 0.866 58.285 58.000 -0.967 0.000 1.296 259 F CB 0.590 39.266 39.000 -0.540 0.000 1.085 259 F HN 0.159 nan 8.300 nan 0.000 0.584 260 L N 5.333 126.300 121.223 -0.427 0.000 2.408 260 L HA 0.554 4.894 4.340 -0.000 0.000 0.268 260 L C 0.385 177.353 176.870 0.163 0.000 0.986 260 L CA -0.891 54.027 54.840 0.131 0.000 0.820 260 L CB 1.823 44.007 42.059 0.209 0.000 1.303 260 L HN 0.736 nan 8.230 nan 0.000 0.411 261 G N 1.192 110.169 108.800 0.296 0.000 2.557 261 G HA2 0.485 4.445 3.960 -0.000 0.000 0.292 261 G HA3 0.485 4.445 3.960 -0.000 0.000 0.292 261 G C -0.238 174.774 174.900 0.188 0.000 1.237 261 G CA -0.589 44.690 45.100 0.299 0.000 0.978 261 G HN 0.281 nan 8.290 nan 0.000 0.498 262 V N 1.806 121.814 119.914 0.157 0.000 2.694 262 V HA -0.010 4.110 4.120 -0.000 0.000 0.306 262 V C 0.886 177.035 176.094 0.091 0.000 1.054 262 V CA 0.483 62.847 62.300 0.107 0.000 1.161 262 V CB 0.651 32.522 31.823 0.081 0.000 0.916 262 V HN 0.933 nan 8.190 nan 0.000 0.490 263 N N 1.299 120.047 118.700 0.080 0.000 2.863 263 N HA -0.199 4.541 4.740 -0.000 0.000 0.245 263 N C 0.387 175.948 175.510 0.085 0.000 1.001 263 N CA 1.517 54.610 53.050 0.071 0.000 0.901 263 N CB -0.650 37.869 38.487 0.054 0.000 1.124 263 N HN 0.974 nan 8.380 nan 0.000 0.582 264 E N 1.043 121.307 120.200 0.108 0.000 2.194 264 E HA 0.379 4.729 4.350 -0.000 0.000 0.284 264 E C -0.819 175.851 176.600 0.117 0.000 1.035 264 E CA -0.365 56.104 56.400 0.116 0.000 0.836 264 E CB 0.891 30.679 29.700 0.146 0.000 1.070 264 E HN -0.003 nan 8.360 nan 0.000 0.401 265 V N 4.260 124.228 119.914 0.089 0.000 2.376 265 V HA 0.209 4.329 4.120 -0.000 0.000 0.287 265 V C -0.292 175.782 176.094 -0.033 0.000 1.015 265 V CA -0.679 61.660 62.300 0.065 0.000 0.834 265 V CB 1.431 33.313 31.823 0.098 0.000 1.001 265 V HN 0.615 nan 8.190 nan 0.000 0.428 266 S N 6.426 122.013 115.700 -0.188 0.000 2.438 266 S HA 0.498 4.967 4.470 -0.000 0.000 0.316 266 S C -1.684 172.540 174.600 -0.627 0.000 1.084 266 S CA -1.511 56.551 58.200 -0.231 0.000 1.107 266 S CB 1.845 65.038 63.200 -0.012 0.000 0.981 266 S HN 0.487 nan 8.310 nan 0.000 0.466 267 P HA -0.046 nan 4.420 nan 0.000 0.217 267 P C 0.808 177.947 177.300 -0.270 0.000 1.150 267 P CA 0.972 63.899 63.100 -0.287 0.000 0.832 267 P CB 0.203 31.871 31.700 -0.053 0.000 0.787 268 E N -0.782 119.295 120.200 -0.206 0.000 2.110 268 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 268 E C 1.977 178.217 176.600 -0.600 0.000 0.988 268 E CA 0.864 57.115 56.400 -0.247 0.000 0.804 268 E CB -0.904 28.650 29.700 -0.244 0.000 0.745 268 E HN 0.237 nan 8.360 nan 0.000 0.458 269 N N 0.589 118.743 118.700 -0.909 0.000 2.084 269 N HA -0.203 4.537 4.740 -0.000 0.000 0.190 269 N C 1.590 176.748 175.510 -0.586 0.000 1.030 269 N CA 1.569 53.757 53.050 -1.437 0.000 0.849 269 N CB -0.180 37.592 38.487 -1.192 0.000 1.012 269 N HN 0.433 nan 8.380 nan 0.000 0.423 270 H N 0.254 119.076 119.070 -0.412 0.000 2.319 270 H HA -0.091 4.465 4.556 -0.000 0.000 0.299 270 H C 2.238 177.448 175.328 -0.195 0.000 1.092 270 H CA 1.475 57.307 56.048 -0.360 0.000 1.302 270 H CB 0.055 29.570 29.762 -0.412 0.000 1.373 270 H HN 0.263 nan 8.280 nan 0.000 0.497 271 K N 0.606 120.967 120.400 -0.066 0.000 2.057 271 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 271 K C 2.002 178.576 176.600 -0.044 0.000 1.049 271 K CA 1.291 57.552 56.287 -0.043 0.000 0.931 271 K CB -0.154 32.327 32.500 -0.033 0.000 0.714 271 K HN 0.150 nan 8.250 nan 0.000 0.440 272 F N 1.165 120.952 119.950 -0.270 0.000 2.102 272 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 272 F C 2.064 177.812 175.800 -0.086 0.000 1.105 272 F CA 1.667 59.527 58.000 -0.233 0.000 1.239 272 F CB -0.483 38.289 39.000 -0.380 0.000 0.991 272 F HN 0.091 nan 8.300 nan 0.000 0.474 273 A N 0.108 122.971 122.820 0.072 0.000 1.972 273 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 273 A C 1.897 179.491 177.584 0.016 0.000 1.169 273 A CA 1.872 53.962 52.037 0.088 0.000 0.635 273 A CB -0.766 18.415 19.000 0.302 0.000 0.810 273 A HN 0.508 nan 8.150 nan 0.000 0.446 274 N N -0.442 118.265 118.700 0.011 0.000 2.416 274 N HA -0.013 4.727 4.740 -0.000 0.000 0.177 274 N C 0.986 176.461 175.510 -0.059 0.000 1.036 274 N CA 1.181 54.227 53.050 -0.006 0.000 0.901 274 N CB 0.034 38.520 38.487 -0.003 0.000 0.976 274 N HN 0.706 nan 8.380 nan 0.000 0.444 275 E N -1.179 118.953 120.200 -0.113 0.000 2.641 275 E HA 0.103 4.453 4.350 -0.000 0.000 0.224 275 E C 1.088 177.576 176.600 -0.188 0.000 0.951 275 E CA -0.025 56.304 56.400 -0.118 0.000 1.102 275 E CB 0.487 30.149 29.700 -0.064 0.000 1.091 275 E HN 0.204 nan 8.360 nan 0.000 0.507 276 S N -0.395 115.091 115.700 -0.357 0.000 2.446 276 S HA 0.123 4.593 4.470 -0.000 0.000 0.225 276 S C 1.763 176.189 174.600 -0.291 0.000 1.016 276 S CA 0.788 58.706 58.200 -0.469 0.000 0.943 276 S CB 0.335 62.802 63.200 -1.222 0.000 0.786 276 S HN 0.310 nan 8.310 nan 0.000 0.508 277 G N 1.205 109.866 108.800 -0.231 0.000 2.184 277 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.206 277 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.206 277 G C -0.112 174.717 174.900 -0.118 0.000 0.995 277 G CA 0.083 45.095 45.100 -0.147 0.000 0.651 277 G HN 0.954 nan 8.290 nan 0.000 0.511 278 M N -0.066 119.439 119.600 -0.159 0.000 2.593 278 M HA 0.840 5.320 4.480 -0.000 0.000 0.290 278 M C 0.260 176.523 176.300 -0.061 0.000 1.244 278 M CA -0.261 54.980 55.300 -0.099 0.000 0.857 278 M CB 2.004 34.581 32.600 -0.038 0.000 1.738 278 M HN 0.549 nan 8.290 nan 0.000 0.461 279 S N 1.535 117.214 115.700 -0.034 0.000 2.647 279 S HA 0.884 5.354 4.470 -0.000 0.000 0.284 279 S C -0.419 174.263 174.600 0.137 0.000 1.134 279 S CA -0.857 57.367 58.200 0.039 0.000 1.027 279 S CB 1.000 64.224 63.200 0.041 0.000 1.180 279 S HN 0.762 nan 8.310 nan 0.000 0.521 280 L N -0.245 121.061 121.223 0.139 0.000 2.376 280 L HA 0.501 4.841 4.340 -0.000 0.000 0.258 280 L C -0.937 176.069 176.870 0.226 0.000 1.013 280 L CA -1.033 53.956 54.840 0.247 0.000 0.822 280 L CB 1.684 43.912 42.059 0.282 0.000 1.388 280 L HN 0.566 nan 8.230 nan 0.000 0.413 281 L N 1.412 122.857 121.223 0.370 0.000 2.455 281 L HA 0.054 4.393 4.340 -0.000 0.000 0.272 281 L C 0.209 177.340 176.870 0.436 0.000 1.174 281 L CA 0.121 55.184 54.840 0.373 0.000 0.869 281 L CB 0.219 42.516 42.059 0.397 0.000 1.130 281 L HN 0.500 nan 8.230 nan 0.000 0.474 282 D N 3.104 123.679 120.400 0.291 0.000 2.551 282 D HA 0.023 4.663 4.640 -0.000 0.000 0.223 282 D C 0.912 177.297 176.300 0.142 0.000 1.144 282 D CA 0.133 54.228 54.000 0.158 0.000 1.025 282 D CB 0.176 40.936 40.800 -0.067 0.000 1.085 282 D HN 0.289 nan 8.370 nan 0.000 0.506 283 F N 0.968 121.049 119.950 0.217 0.000 2.234 283 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 283 F C 2.533 178.352 175.800 0.032 0.000 1.087 283 F CA 0.696 58.747 58.000 0.086 0.000 1.340 283 F CB -0.053 38.996 39.000 0.081 0.000 1.031 283 F HN 0.259 nan 8.300 nan 0.000 0.500 284 R N -0.347 120.334 120.500 0.302 0.000 2.081 284 R HA -0.231 4.109 4.340 -0.000 0.000 0.235 284 R C 2.313 178.726 176.300 0.189 0.000 1.131 284 R CA 1.802 58.048 56.100 0.244 0.000 0.960 284 R CB -0.694 29.791 30.300 0.308 0.000 0.856 284 R HN 0.301 nan 8.270 nan 0.000 0.436 285 F N 0.923 120.885 119.950 0.019 0.000 2.084 285 F HA -0.070 4.457 4.527 -0.000 0.000 0.296 285 F C 2.142 177.880 175.800 -0.103 0.000 1.111 285 F CA 1.536 59.526 58.000 -0.016 0.000 1.224 285 F CB -0.588 38.381 39.000 -0.051 0.000 0.991 285 F HN 0.114 nan 8.300 nan 0.000 0.471 286 A N 0.222 123.024 122.820 -0.030 0.000 1.883 286 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 286 A C 2.156 179.663 177.584 -0.128 0.000 1.186 286 A CA 1.793 53.636 52.037 -0.323 0.000 0.624 286 A CB -0.885 17.353 19.000 -1.269 0.000 0.822 286 A HN 0.531 nan 8.150 nan 0.000 0.444 287 Q N -0.592 119.173 119.800 -0.059 0.000 2.124 287 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 287 Q C 2.072 178.081 176.000 0.015 0.000 0.977 287 Q CA 1.862 57.680 55.803 0.024 0.000 0.850 287 Q CB -0.348 28.439 28.738 0.082 0.000 0.901 287 Q HN 0.633 nan 8.270 nan 0.000 0.429 288 K N 0.704 121.095 120.400 -0.016 0.000 2.097 288 K HA -0.055 4.265 4.320 -0.000 0.000 0.205 288 K C 1.971 178.530 176.600 -0.069 0.000 1.050 288 K CA 0.720 56.978 56.287 -0.050 0.000 0.938 288 K CB -0.345 32.112 32.500 -0.072 0.000 0.718 288 K HN -0.025 nan 8.250 nan 0.000 0.442 289 V N 1.127 120.997 119.914 -0.073 0.000 2.343 289 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 289 V C 2.305 178.568 176.094 0.282 0.000 1.051 289 V CA 2.084 64.437 62.300 0.089 0.000 1.036 289 V CB -0.424 31.424 31.823 0.042 0.000 0.654 289 V HN 0.322 nan 8.190 nan 0.000 0.451 290 R N -0.564 120.059 120.500 0.204 0.000 2.092 290 R HA -0.155 4.185 4.340 -0.000 0.000 0.231 290 R C 2.414 178.739 176.300 0.041 0.000 1.119 290 R CA 1.412 57.608 56.100 0.161 0.000 0.970 290 R CB -0.318 30.030 30.300 0.080 0.000 0.864 290 R HN 0.595 nan 8.270 nan 0.000 0.440 291 Q N 0.028 119.835 119.800 0.011 0.000 2.084 291 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 291 Q C 2.176 178.129 176.000 -0.077 0.000 0.978 291 Q CA 1.595 57.379 55.803 -0.032 0.000 0.844 291 Q CB 0.052 28.770 28.738 -0.034 0.000 0.898 291 Q HN 0.190 nan 8.270 nan 0.000 0.426 292 V N -0.557 119.277 119.914 -0.133 0.000 2.407 292 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 292 V C 1.504 177.365 176.094 -0.389 0.000 1.041 292 V CA 1.569 63.666 62.300 -0.339 0.000 1.040 292 V CB -0.292 31.172 31.823 -0.599 0.000 0.671 292 V HN 0.244 nan 8.190 nan 0.000 0.455 293 F N -0.712 119.240 119.950 0.004 0.000 2.582 293 F HA 0.250 4.777 4.527 -0.000 0.000 0.290 293 F C 2.347 178.215 175.800 0.113 0.000 1.115 293 F CA 0.665 58.727 58.000 0.103 0.000 1.445 293 F CB -0.013 39.118 39.000 0.219 0.000 1.126 293 F HN -0.094 nan 8.300 nan 0.000 0.574 294 R N 0.160 120.731 120.500 0.119 0.000 2.084 294 R HA 0.039 4.379 4.340 -0.000 0.000 0.209 294 R C 0.876 177.093 176.300 -0.137 0.000 1.173 294 R CA 1.019 56.993 56.100 -0.210 0.000 1.053 294 R CB 0.056 29.911 30.300 -0.742 0.000 0.948 294 R HN 0.013 nan 8.270 nan 0.000 0.460 295 D N 0.247 120.583 120.400 -0.106 0.000 2.349 295 D HA -0.015 4.625 4.640 -0.000 0.000 0.214 295 D C -0.227 176.041 176.300 -0.053 0.000 1.063 295 D CA 0.151 54.105 54.000 -0.077 0.000 0.847 295 D CB 0.029 40.788 40.800 -0.067 0.000 0.933 295 D HN 0.209 nan 8.370 nan 0.000 0.513 296 N N 0.871 119.538 118.700 -0.054 0.000 2.727 296 N HA -0.185 4.555 4.740 -0.000 0.000 0.249 296 N C 0.331 175.814 175.510 -0.045 0.000 1.048 296 N CA 1.187 54.205 53.050 -0.054 0.000 0.714 296 N CB -1.436 37.029 38.487 -0.038 0.000 0.959 296 N HN 0.246 nan 8.380 nan 0.000 0.544 297 T N -4.572 109.954 114.554 -0.046 0.000 3.054 297 T HA 0.304 4.654 4.350 -0.000 0.000 0.255 297 T C 0.113 174.793 174.700 -0.033 0.000 1.035 297 T CA 0.038 62.119 62.100 -0.032 0.000 0.941 297 T CB 0.668 69.524 68.868 -0.021 0.000 1.026 297 T HN 0.274 nan 8.240 nan 0.000 0.533 298 D N 0.897 121.264 120.400 -0.054 0.000 2.622 298 D HA 0.371 5.011 4.640 -0.000 0.000 0.255 298 D C -1.404 174.840 176.300 -0.094 0.000 1.246 298 D CA -0.538 53.430 54.000 -0.053 0.000 0.795 298 D CB 1.852 42.623 40.800 -0.049 0.000 1.369 298 D HN 0.262 nan 8.370 nan 0.000 0.425 299 N N 0.060 118.719 118.700 -0.069 0.000 2.879 299 N HA 0.273 5.013 4.740 -0.000 0.000 0.329 299 N C 0.967 176.370 175.510 -0.178 0.000 1.337 299 N CA -0.485 52.497 53.050 -0.112 0.000 0.844 299 N CB 0.207 38.686 38.487 -0.013 0.000 1.236 299 N HN 0.186 nan 8.380 nan 0.000 0.601 300 M N -0.925 118.518 119.600 -0.263 0.000 2.279 300 M HA -0.041 4.439 4.480 -0.000 0.000 0.264 300 M C 1.089 177.213 176.300 -0.294 0.000 1.062 300 M CA 1.378 56.479 55.300 -0.331 0.000 1.099 300 M CB -1.349 31.036 32.600 -0.359 0.000 1.394 300 M HN 0.511 nan 8.290 nan 0.000 0.426 301 Y N -0.022 120.239 120.300 -0.066 0.000 2.293 301 Y HA -0.054 4.496 4.550 -0.000 0.000 0.291 301 Y C 2.600 178.473 175.900 -0.045 0.000 1.137 301 Y CA 1.417 59.490 58.100 -0.044 0.000 1.202 301 Y CB -1.256 37.180 38.460 -0.041 0.000 0.990 301 Y HN 0.299 nan 8.280 nan 0.000 0.537 302 G N -0.697 108.140 108.800 0.062 0.000 2.421 302 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 302 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 302 G C 1.605 176.485 174.900 -0.033 0.000 1.143 302 G CA 0.639 45.748 45.100 0.014 0.000 0.784 302 G HN 0.316 nan 8.290 nan 0.000 0.541 303 L N 0.799 121.960 121.223 -0.103 0.000 2.027 303 L HA 0.134 4.474 4.340 -0.000 0.000 0.206 303 L C 2.686 179.527 176.870 -0.049 0.000 1.074 303 L CA 2.261 57.016 54.840 -0.141 0.000 0.745 303 L CB -0.454 41.436 42.059 -0.282 0.000 0.898 303 L HN 0.241 nan 8.230 nan 0.000 0.433 304 K N -0.606 119.776 120.400 -0.030 0.000 2.032 304 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 304 K C 1.968 178.598 176.600 0.050 0.000 1.048 304 K CA 1.465 57.767 56.287 0.026 0.000 0.927 304 K CB -0.273 32.249 32.500 0.037 0.000 0.712 304 K HN 0.401 nan 8.250 nan 0.000 0.441 305 A N 1.749 124.601 122.820 0.052 0.000 1.940 305 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 305 A C 2.160 179.778 177.584 0.055 0.000 1.176 305 A CA 1.670 53.741 52.037 0.056 0.000 0.631 305 A CB -0.600 18.433 19.000 0.055 0.000 0.814 305 A HN 0.513 nan 8.150 nan 0.000 0.446 306 M N -0.236 119.395 119.600 0.051 0.000 2.132 306 M HA -0.067 4.413 4.480 -0.000 0.000 0.263 306 M C 1.931 178.295 176.300 0.106 0.000 1.065 306 M CA 1.677 57.021 55.300 0.074 0.000 1.122 306 M CB -0.832 31.797 32.600 0.049 0.000 1.365 306 M HN 0.426 nan 8.290 nan 0.000 0.411 307 L N 0.094 121.375 121.223 0.096 0.000 2.027 307 L HA -0.213 4.127 4.340 -0.000 0.000 0.206 307 L C 2.348 179.274 176.870 0.093 0.000 1.074 307 L CA 1.477 56.386 54.840 0.115 0.000 0.745 307 L CB -0.661 41.452 42.059 0.091 0.000 0.898 307 L HN 0.342 nan 8.230 nan 0.000 0.433 308 E N -0.144 120.100 120.200 0.073 0.000 2.107 308 E HA -0.126 4.223 4.350 -0.000 0.000 0.191 308 E C 2.226 178.852 176.600 0.043 0.000 0.982 308 E CA 0.968 57.403 56.400 0.059 0.000 0.809 308 E CB -0.282 29.451 29.700 0.054 0.000 0.756 308 E HN 0.550 nan 8.360 nan 0.000 0.459 309 G N 1.684 110.509 108.800 0.042 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 1.808 176.695 174.900 -0.021 0.000 1.174 309 G CA 1.206 46.313 45.100 0.011 0.000 0.780 309 G HN 0.381 nan 8.290 nan 0.000 0.537 310 S N 1.259 116.992 115.700 0.055 0.000 2.399 310 S HA 0.137 4.607 4.470 -0.000 0.000 0.231 310 S C 2.564 177.247 174.600 0.138 0.000 1.022 310 S CA 1.446 59.724 58.200 0.130 0.000 0.983 310 S CB -0.431 62.958 63.200 0.315 0.000 0.803 310 S HN 0.586 nan 8.310 nan 0.000 0.480 311 A N 1.641 124.517 122.820 0.094 0.000 1.972 311 A HA 0.371 4.691 4.320 -0.000 0.000 0.219 311 A C 2.411 180.008 177.584 0.023 0.000 1.169 311 A CA 1.555 53.636 52.037 0.074 0.000 0.635 311 A CB -1.131 17.907 19.000 0.064 0.000 0.810 311 A HN 0.839 nan 8.150 nan 0.000 0.446 312 A N -0.482 122.325 122.820 -0.020 0.000 1.943 312 A HA 0.014 4.334 4.320 -0.000 0.000 0.213 312 A C 1.676 179.178 177.584 -0.137 0.000 1.181 312 A CA 1.338 53.340 52.037 -0.058 0.000 0.653 312 A CB -0.203 18.768 19.000 -0.049 0.000 0.833 312 A HN 0.391 nan 8.150 nan 0.000 0.451 313 D N -1.261 118.976 120.400 -0.272 0.000 2.194 313 D HA 0.009 4.649 4.640 -0.000 0.000 0.204 313 D C -0.373 175.584 176.300 -0.571 0.000 0.964 313 D CA 0.836 54.497 54.000 -0.565 0.000 0.846 313 D CB -0.150 39.932 40.800 -1.197 0.000 0.962 313 D HN 0.461 nan 8.370 nan 0.000 0.490 314 Y N 0.304 120.479 120.300 -0.209 0.000 2.350 314 Y HA 0.414 4.964 4.550 -0.000 0.000 0.340 314 Y C 1.261 177.112 175.900 -0.080 0.000 1.006 314 Y CA -0.791 57.241 58.100 -0.113 0.000 1.166 314 Y CB 1.517 39.939 38.460 -0.063 0.000 1.168 314 Y HN -0.172 nan 8.280 nan 0.000 0.502 315 A N 2.804 125.666 122.820 0.071 0.000 1.933 315 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 315 A C 0.792 178.365 177.584 -0.018 0.000 1.175 315 A CA 1.317 53.353 52.037 -0.001 0.000 0.628 315 A CB -0.231 18.762 19.000 -0.011 0.000 0.814 315 A HN 0.778 nan 8.150 nan 0.000 0.444 316 Q N -1.045 118.787 119.800 0.054 0.000 2.849 316 Q HA 0.402 4.742 4.340 -0.000 0.000 0.289 316 Q C 0.417 176.470 176.000 0.088 0.000 1.012 316 Q CA -0.112 55.726 55.803 0.058 0.000 0.899 316 Q CB 1.137 29.942 28.738 0.111 0.000 1.235 316 Q HN 0.153 nan 8.270 nan 0.000 0.457 317 V N 1.176 121.141 119.914 0.084 0.000 2.594 317 V HA -0.233 3.887 4.120 -0.000 0.000 0.253 317 V C 0.851 176.947 176.094 0.002 0.000 1.069 317 V CA 2.047 64.370 62.300 0.038 0.000 1.082 317 V CB 0.151 32.026 31.823 0.088 0.000 0.680 317 V HN 0.695 nan 8.190 nan 0.000 0.469 318 D N -0.313 120.136 120.400 0.081 0.000 2.371 318 D HA -0.087 4.553 4.640 -0.000 0.000 0.221 318 D C 1.049 177.430 176.300 0.135 0.000 0.986 318 D CA 0.810 54.875 54.000 0.108 0.000 0.899 318 D CB 0.028 40.961 40.800 0.221 0.000 0.902 318 D HN 0.514 nan 8.370 nan 0.000 0.530 319 D N 0.360 120.861 120.400 0.168 0.000 2.349 319 D HA -0.000 4.640 4.640 -0.000 0.000 0.214 319 D C 0.457 176.860 176.300 0.172 0.000 1.063 319 D CA 0.198 54.372 54.000 0.290 0.000 0.847 319 D CB 0.459 41.498 40.800 0.399 0.000 0.933 319 D HN 0.067 nan 8.370 nan 0.000 0.513 320 Q N 0.677 120.454 119.800 -0.038 0.000 2.304 320 Q HA 0.208 4.548 4.340 -0.000 0.000 0.260 320 Q C -0.042 175.866 176.000 -0.153 0.000 0.965 320 Q CA -0.261 55.452 55.803 -0.151 0.000 0.898 320 Q CB 1.822 30.341 28.738 -0.365 0.000 1.196 320 Q HN -0.111 nan 8.270 nan 0.000 0.402 321 V N 3.572 123.399 119.914 -0.145 0.000 2.353 321 V HA 0.175 4.294 4.120 -0.000 0.000 0.264 321 V C 0.673 176.734 176.094 -0.055 0.000 1.049 321 V CA -0.493 61.686 62.300 -0.202 0.000 0.896 321 V CB 0.354 31.875 31.823 -0.503 0.000 1.025 321 V HN 0.855 nan 8.190 nan 0.000 0.475 322 T N 2.935 117.375 114.554 -0.191 0.000 2.882 322 T HA 0.797 5.147 4.350 -0.000 0.000 0.287 322 T C -0.573 174.188 174.700 0.102 0.000 1.014 322 T CA -0.389 61.536 62.100 -0.293 0.000 1.049 322 T CB 1.356 69.660 68.868 -0.940 0.000 1.001 322 T HN 0.721 nan 8.240 nan 0.000 0.525 323 F N -0.858 119.064 119.950 -0.048 0.000 2.807 323 F HA 0.523 5.050 4.527 -0.000 0.000 0.316 323 F C -0.050 175.819 175.800 0.115 0.000 1.162 323 F CA -1.416 56.602 58.000 0.030 0.000 0.910 323 F CB 0.659 39.665 39.000 0.011 0.000 1.314 323 F HN 0.581 nan 8.300 nan 0.000 0.454 324 I N -1.466 119.216 120.570 0.186 0.000 4.181 324 I HA 0.466 4.636 4.170 -0.000 0.000 0.331 324 I C -0.872 175.434 176.117 0.316 0.000 1.312 324 I CA 0.149 61.531 61.300 0.137 0.000 1.146 324 I CB 0.617 38.582 38.000 -0.058 0.000 1.074 324 I HN 0.673 nan 8.210 nan 0.000 0.402 325 D N 0.776 121.423 120.400 0.412 0.000 2.725 325 D HA 0.364 5.004 4.640 -0.000 0.000 0.292 325 D C -1.166 175.206 176.300 0.121 0.000 1.288 325 D CA -0.596 53.597 54.000 0.321 0.000 0.784 325 D CB 0.688 41.653 40.800 0.276 0.000 1.308 325 D HN 0.323 nan 8.370 nan 0.000 0.429 326 N N -2.786 115.779 118.700 -0.224 0.000 3.449 326 N HA 0.183 4.923 4.740 -0.000 0.000 0.312 326 N C 0.529 175.481 175.510 -0.930 0.000 1.557 326 N CA -0.526 52.079 53.050 -0.742 0.000 0.864 326 N CB -0.116 38.108 38.487 -0.438 0.000 1.799 326 N HN 0.558 nan 8.380 nan 0.000 0.554 327 H N -1.811 116.755 119.070 -0.840 0.000 2.559 327 H HA 0.176 4.732 4.556 -0.000 0.000 0.273 327 H C -0.755 174.512 175.328 -0.101 0.000 1.000 327 H CA 0.781 56.591 56.048 -0.395 0.000 1.195 327 H CB -0.246 29.443 29.762 -0.120 0.000 1.368 327 H HN 0.530 nan 8.280 nan 0.000 0.592 328 D N 0.449 120.622 120.400 -0.378 0.000 2.440 328 D HA 0.245 4.885 4.640 -0.000 0.000 0.216 328 D C 0.244 176.581 176.300 0.062 0.000 1.150 328 D CA 0.054 53.981 54.000 -0.120 0.000 0.832 328 D CB 0.795 41.555 40.800 -0.068 0.000 0.992 328 D HN 0.360 nan 8.370 nan 0.000 0.502 329 M N 0.211 119.827 119.600 0.027 0.000 2.593 329 M HA 0.273 4.753 4.480 -0.000 0.000 0.290 329 M C -0.284 176.053 176.300 0.063 0.000 1.244 329 M CA -0.789 54.574 55.300 0.105 0.000 0.857 329 M CB 2.885 35.581 32.600 0.159 0.000 1.738 329 M HN -0.308 nan 8.290 nan 0.000 0.461 330 E N 1.789 122.033 120.200 0.073 0.000 2.392 330 E HA 0.121 4.471 4.350 -0.000 0.000 0.264 330 E C -0.476 176.178 176.600 0.090 0.000 1.024 330 E CA -0.260 56.176 56.400 0.060 0.000 0.903 330 E CB 0.592 30.313 29.700 0.034 0.000 0.963 330 E HN 0.280 nan 8.360 nan 0.000 0.432 331 R N 1.900 122.466 120.500 0.110 0.000 2.638 331 R HA -0.107 4.233 4.340 -0.000 0.000 0.268 331 R C 0.917 177.336 176.300 0.198 0.000 1.006 331 R CA 0.276 56.483 56.100 0.178 0.000 1.088 331 R CB -0.002 30.398 30.300 0.166 0.000 0.950 331 R HN 0.628 nan 8.270 nan 0.000 0.419 332 F N 2.231 122.263 119.950 0.138 0.000 2.095 332 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 332 F C 1.274 177.175 175.800 0.168 0.000 1.104 332 F CA 1.594 59.678 58.000 0.140 0.000 1.232 332 F CB -0.314 38.773 39.000 0.146 0.000 0.987 332 F HN 0.567 nan 8.300 nan 0.000 0.475 333 H N 0.860 120.159 119.070 0.381 0.000 2.878 333 H HA 0.481 5.037 4.556 -0.000 0.000 0.290 333 H C -0.360 175.043 175.328 0.124 0.000 1.065 333 H CA -0.591 55.623 56.048 0.278 0.000 1.477 333 H CB 0.291 30.244 29.762 0.319 0.000 1.484 333 H HN 0.263 nan 8.280 nan 0.000 0.504 334 A N 3.991 126.600 122.820 -0.351 0.000 2.327 334 A HA 0.247 4.567 4.320 -0.000 0.000 0.283 334 A C 1.625 178.886 177.584 -0.539 0.000 1.127 334 A CA 0.195 52.039 52.037 -0.322 0.000 0.810 334 A CB 0.509 19.389 19.000 -0.200 0.000 1.066 334 A HN 0.905 nan 8.150 nan 0.000 0.492 335 S N 1.525 117.054 115.700 -0.286 0.000 2.380 335 S HA -0.206 4.264 4.470 -0.000 0.000 0.229 335 S C 1.444 175.952 174.600 -0.154 0.000 1.043 335 S CA 2.096 60.183 58.200 -0.189 0.000 1.038 335 S CB -0.482 62.674 63.200 -0.074 0.000 0.872 335 S HN 0.928 nan 8.310 nan 0.000 0.456 336 N N 0.787 119.408 118.700 -0.133 0.000 2.251 336 N HA 0.315 5.055 4.740 -0.000 0.000 0.217 336 N C -0.107 175.365 175.510 -0.062 0.000 1.124 336 N CA 0.356 53.363 53.050 -0.072 0.000 0.843 336 N CB -0.082 38.375 38.487 -0.049 0.000 1.024 336 N HN 0.385 nan 8.380 nan 0.000 0.501 337 A N 0.559 123.311 122.820 -0.112 0.000 2.282 337 A HA 0.330 4.650 4.320 -0.000 0.000 0.319 337 A C 0.160 177.816 177.584 0.119 0.000 1.121 337 A CA -0.715 51.310 52.037 -0.020 0.000 0.836 337 A CB 0.527 19.496 19.000 -0.051 0.000 1.146 337 A HN 0.295 nan 8.150 nan 0.000 0.494 338 N N 0.320 119.092 118.700 0.121 0.000 2.475 338 N HA 0.028 4.768 4.740 -0.000 0.000 0.267 338 N C 0.901 176.526 175.510 0.191 0.000 1.169 338 N CA 0.053 53.177 53.050 0.124 0.000 0.947 338 N CB 0.580 39.121 38.487 0.089 0.000 1.061 338 N HN 0.621 nan 8.380 nan 0.000 0.466 339 R N 2.140 122.700 120.500 0.099 0.000 2.241 339 R HA -0.122 4.218 4.340 -0.000 0.000 0.224 339 R C 1.491 177.850 176.300 0.098 0.000 1.101 339 R CA 0.741 56.831 56.100 -0.016 0.000 0.995 339 R CB 0.034 30.087 30.300 -0.412 0.000 0.870 339 R HN 0.456 nan 8.270 nan 0.000 0.463 340 R N 1.819 122.378 120.500 0.099 0.000 2.152 340 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 340 R C 1.419 177.811 176.300 0.154 0.000 1.117 340 R CA 1.556 57.721 56.100 0.109 0.000 0.981 340 R CB -0.087 30.267 30.300 0.090 0.000 0.870 340 R HN 0.114 nan 8.270 nan 0.000 0.451 341 K N -0.243 120.294 120.400 0.229 0.000 2.026 341 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 341 K C 1.884 178.693 176.600 0.348 0.000 1.048 341 K CA 1.560 58.050 56.287 0.339 0.000 0.929 341 K CB -0.392 32.346 32.500 0.396 0.000 0.713 341 K HN 0.121 nan 8.250 nan 0.000 0.439 342 L N 2.051 123.491 121.223 0.362 0.000 2.056 342 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 342 L C 1.758 178.570 176.870 -0.098 0.000 1.078 342 L CA 1.789 56.681 54.840 0.086 0.000 0.749 342 L CB -0.332 41.879 42.059 0.254 0.000 0.901 342 L HN 0.122 nan 8.230 nan 0.000 0.433 343 E N -0.878 119.339 120.200 0.029 0.000 2.077 343 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 343 E C 2.161 178.712 176.600 -0.082 0.000 0.989 343 E CA 1.524 57.919 56.400 -0.008 0.000 0.800 343 E CB -0.167 29.571 29.700 0.064 0.000 0.746 343 E HN 0.654 nan 8.360 nan 0.000 0.452 344 Q N 0.152 119.897 119.800 -0.092 0.000 2.079 344 Q HA -0.094 4.246 4.340 -0.000 0.000 0.200 344 Q C 2.348 178.085 176.000 -0.438 0.000 0.974 344 Q CA 1.144 56.838 55.803 -0.181 0.000 0.840 344 Q CB -0.165 28.518 28.738 -0.092 0.000 0.898 344 Q HN 0.248 nan 8.270 nan 0.000 0.430 345 A N 1.086 123.544 122.820 -0.602 0.000 1.940 345 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 345 A C 2.084 179.460 177.584 -0.347 0.000 1.176 345 A CA 1.127 52.734 52.037 -0.716 0.000 0.631 345 A CB -0.663 17.823 19.000 -0.856 0.000 0.814 345 A HN 0.271 nan 8.150 nan 0.000 0.446 346 L N -1.037 120.012 121.223 -0.289 0.000 2.027 346 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 346 L C 3.137 179.949 176.870 -0.096 0.000 1.074 346 L CA 1.064 55.805 54.840 -0.165 0.000 0.745 346 L CB -0.535 41.434 42.059 -0.150 0.000 0.898 346 L HN 0.442 nan 8.230 nan 0.000 0.433 347 A N -0.315 122.451 122.820 -0.089 0.000 1.933 347 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 347 A C 2.148 179.750 177.584 0.029 0.000 1.175 347 A CA 1.606 53.615 52.037 -0.045 0.000 0.628 347 A CB -0.813 18.159 19.000 -0.047 0.000 0.814 347 A HN 0.418 nan 8.150 nan 0.000 0.444 348 F N 1.347 121.234 119.950 -0.105 0.000 2.102 348 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 348 F C 2.453 178.310 175.800 0.094 0.000 1.105 348 F CA 2.290 60.300 58.000 0.017 0.000 1.239 348 F CB -0.762 38.143 39.000 -0.159 0.000 0.991 348 F HN 0.197 nan 8.300 nan 0.000 0.474 349 T N 1.492 116.058 114.554 0.020 0.000 2.746 349 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 349 T C 2.146 176.771 174.700 -0.124 0.000 1.039 349 T CA 1.721 63.822 62.100 0.001 0.000 1.142 349 T CB -0.562 68.360 68.868 0.091 0.000 0.866 349 T HN 0.243 nan 8.240 nan 0.000 0.444 350 L N 1.323 122.489 121.223 -0.093 0.000 2.275 350 L HA -0.047 4.293 4.340 -0.000 0.000 0.215 350 L C 2.564 179.366 176.870 -0.114 0.000 1.119 350 L CA 1.290 56.067 54.840 -0.105 0.000 0.790 350 L CB -0.650 41.354 42.059 -0.092 0.000 0.919 350 L HN 0.443 nan 8.230 nan 0.000 0.443 351 T N -6.008 108.489 114.554 -0.095 0.000 3.054 351 T HA 0.197 4.547 4.350 -0.000 0.000 0.255 351 T C 0.756 175.439 174.700 -0.029 0.000 1.035 351 T CA -0.301 61.770 62.100 -0.048 0.000 0.941 351 T CB 0.331 69.204 68.868 0.009 0.000 1.026 351 T HN -0.016 nan 8.240 nan 0.000 0.533 352 S N 2.334 117.923 115.700 -0.184 0.000 2.713 352 S HA 0.590 5.060 4.470 -0.000 0.000 0.283 352 S C 0.406 174.885 174.600 -0.202 0.000 1.161 352 S CA -1.064 56.985 58.200 -0.251 0.000 0.999 352 S CB 0.931 63.843 63.200 -0.481 0.000 1.039 352 S HN 0.612 nan 8.310 nan 0.000 0.548 353 R N 0.712 121.120 120.500 -0.153 0.000 2.784 353 R HA 0.510 4.849 4.340 -0.000 0.000 0.266 353 R C 0.628 176.801 176.300 -0.212 0.000 1.044 353 R CA 0.667 56.691 56.100 -0.126 0.000 1.151 353 R CB -1.319 28.955 30.300 -0.044 0.000 1.037 353 R HN 0.952 nan 8.270 nan 0.000 0.478 354 G N -0.134 108.571 108.800 -0.159 0.000 2.418 354 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.206 354 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.206 354 G C -1.476 173.310 174.900 -0.191 0.000 1.202 354 G CA -0.306 44.684 45.100 -0.182 0.000 1.061 354 G HN 0.749 nan 8.290 nan 0.000 0.563 355 V N 2.061 121.849 119.914 -0.210 0.000 2.419 355 V HA 0.516 4.636 4.120 -0.000 0.000 0.287 355 V C -2.310 173.675 176.094 -0.181 0.000 1.017 355 V CA -1.046 61.138 62.300 -0.194 0.000 0.844 355 V CB 1.949 33.649 31.823 -0.204 0.000 1.011 355 V HN 0.584 nan 8.190 nan 0.000 0.429 356 P HA 0.392 nan 4.420 nan 0.000 0.271 356 P C -0.652 176.649 177.300 0.001 0.000 1.220 356 P CA 0.197 63.237 63.100 -0.100 0.000 0.768 356 P CB 0.903 32.542 31.700 -0.102 0.000 0.848 357 A N 4.290 127.158 122.820 0.079 0.000 2.343 357 A HA 0.677 4.997 4.320 -0.000 0.000 0.308 357 A C -0.704 176.993 177.584 0.189 0.000 1.092 357 A CA -0.683 51.465 52.037 0.185 0.000 0.751 357 A CB 0.610 19.785 19.000 0.291 0.000 1.203 357 A HN 0.446 nan 8.150 nan 0.000 0.452 358 I N 2.569 123.232 120.570 0.154 0.000 2.362 358 I HA 0.201 4.371 4.170 -0.000 0.000 0.289 358 I C -0.763 175.353 176.117 -0.002 0.000 0.994 358 I CA -0.736 60.626 61.300 0.104 0.000 1.158 358 I CB 1.365 39.437 38.000 0.119 0.000 1.315 358 I HN 0.728 nan 8.210 nan 0.000 0.451 359 Y N 8.505 128.734 120.300 -0.118 0.000 2.526 359 Y HA 0.058 4.608 4.550 -0.000 0.000 0.330 359 Y C 0.093 175.783 175.900 -0.350 0.000 1.156 359 Y CA -0.900 57.075 58.100 -0.207 0.000 1.419 359 Y CB 0.123 38.520 38.460 -0.105 0.000 1.250 359 Y HN 0.452 nan 8.280 nan 0.000 0.540 360 Y N 4.029 123.831 120.300 -0.830 0.000 2.904 360 Y HA 0.304 4.854 4.550 -0.000 0.000 0.336 360 Y C 1.124 176.813 175.900 -0.351 0.000 1.263 360 Y CA -0.305 57.349 58.100 -0.744 0.000 1.547 360 Y CB -0.009 38.145 38.460 -0.511 0.000 1.272 360 Y HN 0.935 nan 8.280 nan 0.000 0.596 361 G N 2.072 110.818 108.800 -0.091 0.000 2.225 361 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.254 361 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.254 361 G C 0.875 175.701 174.900 -0.125 0.000 0.988 361 G CA 0.501 45.514 45.100 -0.146 0.000 0.625 361 G HN 0.866 nan 8.290 nan 0.000 0.527 362 T N 1.718 116.198 114.554 -0.124 0.000 2.720 362 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 362 T C 2.130 176.753 174.700 -0.128 0.000 1.037 362 T CA 1.904 63.966 62.100 -0.063 0.000 1.144 362 T CB -0.259 68.600 68.868 -0.015 0.000 0.864 362 T HN 0.793 nan 8.240 nan 0.000 0.444 363 E N 1.089 121.256 120.200 -0.056 0.000 2.472 363 E HA -0.132 4.218 4.350 -0.000 0.000 0.200 363 E C 1.208 177.671 176.600 -0.229 0.000 1.046 363 E CA 0.792 57.115 56.400 -0.128 0.000 0.871 363 E CB -0.130 29.616 29.700 0.076 0.000 0.806 363 E HN 0.395 nan 8.360 nan 0.000 0.533 364 Q N -0.166 119.554 119.800 -0.133 0.000 2.198 364 Q HA 0.076 4.416 4.340 -0.000 0.000 0.209 364 Q C -0.581 175.414 176.000 -0.009 0.000 0.848 364 Q CA -0.445 55.320 55.803 -0.064 0.000 0.974 364 Q CB -0.206 28.555 28.738 0.037 0.000 1.115 364 Q HN 0.303 nan 8.270 nan 0.000 0.494 365 Y N -1.344 118.964 120.300 0.014 0.000 3.689 365 Y HA -0.274 4.276 4.550 -0.000 0.000 0.221 365 Y C 0.316 176.286 175.900 0.116 0.000 1.247 365 Y CA 0.202 58.288 58.100 -0.022 0.000 1.671 365 Y CB -2.615 35.764 38.460 -0.135 0.000 1.521 365 Y HN 0.212 nan 8.280 nan 0.000 0.632 366 M N 0.187 119.878 119.600 0.151 0.000 2.239 366 M HA 0.216 4.696 4.480 -0.000 0.000 0.348 366 M C 0.632 177.039 176.300 0.178 0.000 1.239 366 M CA 0.954 56.320 55.300 0.111 0.000 1.114 366 M CB 0.544 33.121 32.600 -0.038 0.000 1.641 366 M HN 0.254 nan 8.290 nan 0.000 0.453 367 S N 0.907 116.692 115.700 0.142 0.000 2.566 367 S HA 0.942 5.412 4.470 -0.000 0.000 0.298 367 S C -0.209 174.427 174.600 0.060 0.000 1.083 367 S CA -0.769 57.494 58.200 0.106 0.000 0.978 367 S CB 2.216 65.450 63.200 0.057 0.000 1.073 367 S HN 0.944 nan 8.310 nan 0.000 0.491 368 G N -0.013 108.816 108.800 0.048 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 -0.287 174.634 174.900 0.036 0.000 1.615 368 G CA -0.265 44.858 45.100 0.038 0.000 0.889 368 G HN 0.883 nan 8.290 nan 0.000 0.647 369 G N -0.417 108.397 108.800 0.023 0.000 2.485 369 G HA2 0.657 4.617 3.960 -0.000 0.000 0.260 369 G HA3 0.657 4.617 3.960 -0.000 0.000 0.260 369 G C 0.954 175.870 174.900 0.027 0.000 1.459 369 G CA 0.671 45.782 45.100 0.018 0.000 1.060 369 G HN 1.627 nan 8.290 nan 0.000 0.546 370 T N -1.754 112.810 114.554 0.018 0.000 2.802 370 T HA 0.239 4.589 4.350 -0.000 0.000 0.305 370 T C 0.294 175.005 174.700 0.019 0.000 1.053 370 T CA 0.083 62.193 62.100 0.016 0.000 1.058 370 T CB 0.853 69.721 68.868 0.001 0.000 0.988 370 T HN 0.539 nan 8.240 nan 0.000 0.539 371 D N 2.072 122.484 120.400 0.020 0.000 2.752 371 D HA -0.027 4.613 4.640 -0.000 0.000 0.225 371 D C -0.993 175.332 176.300 0.041 0.000 1.104 371 D CA -1.107 52.917 54.000 0.041 0.000 0.832 371 D CB 0.573 41.391 40.800 0.031 0.000 1.161 371 D HN 0.444 nan 8.370 nan 0.000 0.505 372 P HA 0.115 nan 4.420 nan 0.000 0.268 372 P C 0.031 177.363 177.300 0.054 0.000 1.329 372 P CA -0.141 63.014 63.100 0.092 0.000 0.899 372 P CB 0.503 32.272 31.700 0.115 0.000 1.378 373 D N 1.473 121.895 120.400 0.038 0.000 2.351 373 D HA -0.098 4.542 4.640 -0.000 0.000 0.216 373 D C 1.061 177.385 176.300 0.041 0.000 0.968 373 D CA 0.886 54.903 54.000 0.029 0.000 0.899 373 D CB -0.211 40.602 40.800 0.021 0.000 0.907 373 D HN 0.391 nan 8.370 nan 0.000 0.514 374 N N -0.036 118.699 118.700 0.058 0.000 2.322 374 N HA -0.030 4.710 4.740 -0.000 0.000 0.194 374 N C 0.437 176.019 175.510 0.119 0.000 1.126 374 N CA -0.017 53.091 53.050 0.095 0.000 0.845 374 N CB -0.004 38.546 38.487 0.106 0.000 0.976 374 N HN 0.039 nan 8.380 nan 0.000 0.475 375 R N 0.102 120.644 120.500 0.069 0.000 2.748 375 R HA 0.458 4.798 4.340 -0.000 0.000 0.395 375 R C -0.244 176.124 176.300 0.113 0.000 1.128 375 R CA -0.363 55.777 56.100 0.067 0.000 1.042 375 R CB 0.811 31.084 30.300 -0.045 0.000 1.392 375 R HN 0.130 nan 8.270 nan 0.000 0.582 376 A N 1.398 124.271 122.820 0.088 0.000 2.346 376 A HA 0.225 4.545 4.320 -0.000 0.000 0.252 376 A C 0.167 177.841 177.584 0.149 0.000 1.089 376 A CA -0.404 51.673 52.037 0.067 0.000 0.797 376 A CB 0.323 19.338 19.000 0.025 0.000 1.047 376 A HN 0.458 nan 8.150 nan 0.000 0.494 377 R N 0.971 121.521 120.500 0.084 0.000 2.537 377 R HA 0.209 4.549 4.340 -0.000 0.000 0.280 377 R C -0.046 176.306 176.300 0.086 0.000 1.058 377 R CA -0.231 55.925 56.100 0.093 0.000 1.057 377 R CB 0.130 30.437 30.300 0.010 0.000 0.973 377 R HN 0.700 nan 8.270 nan 0.000 0.438 378 I N 7.527 128.184 120.570 0.144 0.000 2.741 378 I HA -0.001 4.169 4.170 -0.000 0.000 0.288 378 I C -1.252 174.741 176.117 -0.207 0.000 1.192 378 I CA -1.408 59.900 61.300 0.013 0.000 1.426 378 I CB 1.174 39.205 38.000 0.052 0.000 1.367 378 I HN 0.739 nan 8.210 nan 0.000 0.563 379 P HA -0.007 nan 4.420 nan 0.000 0.231 379 P C 0.063 177.215 177.300 -0.247 0.000 1.168 379 P CA 0.485 63.484 63.100 -0.168 0.000 0.779 379 P CB 0.344 31.999 31.700 -0.075 0.000 0.844 380 S N -1.407 114.073 115.700 -0.366 0.000 2.567 380 S HA 0.535 5.005 4.470 -0.000 0.000 0.270 380 S C -1.616 172.662 174.600 -0.537 0.000 1.152 380 S CA -0.590 57.395 58.200 -0.359 0.000 0.835 380 S CB 0.294 63.421 63.200 -0.121 0.000 1.115 380 S HN -0.194 nan 8.310 nan 0.000 0.459 381 F N 2.146 121.988 119.950 -0.180 0.000 2.879 381 F HA 0.440 4.967 4.527 -0.000 0.000 0.354 381 F C 0.885 176.684 175.800 -0.001 0.000 1.291 381 F CA -0.471 57.320 58.000 -0.349 0.000 1.238 381 F CB 0.806 39.491 39.000 -0.525 0.000 1.005 381 F HN 0.466 nan 8.300 nan 0.000 0.508 382 S N 0.235 116.031 115.700 0.159 0.000 2.548 382 S HA 0.221 4.691 4.470 -0.000 0.000 0.277 382 S C 1.331 175.843 174.600 -0.146 0.000 1.315 382 S CA 0.142 58.366 58.200 0.040 0.000 1.050 382 S CB 0.662 63.872 63.200 0.016 0.000 0.918 382 S HN 0.494 nan 8.310 nan 0.000 0.497 383 T N 1.296 115.607 114.554 -0.404 0.000 3.086 383 T HA 0.179 4.529 4.350 -0.000 0.000 0.250 383 T C 1.092 175.464 174.700 -0.548 0.000 1.074 383 T CA 0.078 61.496 62.100 -1.136 0.000 0.988 383 T CB -0.001 68.378 68.868 -0.814 0.000 0.988 383 T HN 0.396 nan 8.240 nan 0.000 0.530 384 S N 1.983 117.552 115.700 -0.218 0.000 2.575 384 S HA 0.135 4.605 4.470 -0.000 0.000 0.215 384 S C 1.120 175.737 174.600 0.030 0.000 0.966 384 S CA 0.035 58.198 58.200 -0.061 0.000 0.911 384 S CB -0.089 63.093 63.200 -0.030 0.000 0.780 384 S HN 0.880 nan 8.310 nan 0.000 0.514 385 T N 0.111 114.704 114.554 0.065 0.000 2.900 385 T HA 0.125 4.474 4.350 -0.000 0.000 0.307 385 T C 1.298 176.101 174.700 0.173 0.000 1.065 385 T CA -0.086 62.117 62.100 0.171 0.000 1.105 385 T CB 0.692 69.651 68.868 0.151 0.000 0.979 385 T HN -0.009 nan 8.240 nan 0.000 0.544 386 T N 1.877 116.569 114.554 0.230 0.000 2.788 386 T HA -0.025 4.325 4.350 -0.000 0.000 0.268 386 T C 2.371 177.147 174.700 0.126 0.000 1.044 386 T CA 1.273 63.475 62.100 0.171 0.000 1.139 386 T CB -0.723 68.251 68.868 0.177 0.000 0.867 386 T HN 0.819 nan 8.240 nan 0.000 0.454 387 A N 0.433 123.303 122.820 0.084 0.000 1.902 387 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 387 A C 2.068 179.633 177.584 -0.032 0.000 1.181 387 A CA 1.456 53.450 52.037 -0.073 0.000 0.623 387 A CB -0.995 17.765 19.000 -0.399 0.000 0.818 387 A HN 0.578 nan 8.150 nan 0.000 0.443 388 Y N 0.562 120.797 120.300 -0.109 0.000 2.181 388 Y HA -0.243 4.307 4.550 -0.000 0.000 0.288 388 Y C 2.520 178.377 175.900 -0.071 0.000 1.146 388 Y CA 2.319 60.367 58.100 -0.087 0.000 1.164 388 Y CB -0.364 38.061 38.460 -0.058 0.000 0.982 388 Y HN 0.445 nan 8.280 nan 0.000 0.515 389 Q N -1.040 118.883 119.800 0.206 0.000 2.167 389 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 389 Q C 2.305 178.310 176.000 0.008 0.000 0.970 389 Q CA 1.680 57.553 55.803 0.117 0.000 0.855 389 Q CB -0.199 28.599 28.738 0.100 0.000 0.911 389 Q HN 0.374 nan 8.270 nan 0.000 0.438 390 V N 1.002 120.909 119.914 -0.012 0.000 2.295 390 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 390 V C 2.094 178.133 176.094 -0.091 0.000 1.049 390 V CA 1.674 63.945 62.300 -0.048 0.000 1.024 390 V CB -0.427 31.368 31.823 -0.046 0.000 0.648 390 V HN 0.356 nan 8.190 nan 0.000 0.447 391 I N -0.235 120.255 120.570 -0.133 0.000 2.179 391 I HA -0.310 3.860 4.170 -0.000 0.000 0.242 391 I C 2.655 178.654 176.117 -0.197 0.000 1.088 391 I CA 1.927 63.119 61.300 -0.179 0.000 1.357 391 I CB -0.487 37.363 38.000 -0.251 0.000 1.051 391 I HN 0.384 nan 8.210 nan 0.000 0.409 392 Q N 1.588 121.253 119.800 -0.224 0.000 2.135 392 Q HA -0.241 4.099 4.340 -0.000 0.000 0.204 392 Q C 2.024 177.962 176.000 -0.104 0.000 0.981 392 Q CA 1.712 57.410 55.803 -0.175 0.000 0.856 392 Q CB 0.102 28.785 28.738 -0.092 0.000 0.902 392 Q HN 0.474 nan 8.270 nan 0.000 0.425 393 K N -0.457 119.894 120.400 -0.082 0.000 2.186 393 K HA 0.031 4.351 4.320 -0.000 0.000 0.202 393 K C 1.934 178.484 176.600 -0.083 0.000 1.052 393 K CA 0.659 56.905 56.287 -0.069 0.000 0.965 393 K CB 0.299 32.767 32.500 -0.054 0.000 0.746 393 K HN 0.248 nan 8.250 nan 0.000 0.457 394 L N -0.188 120.977 121.223 -0.097 0.000 2.357 394 L HA 0.148 4.488 4.340 -0.000 0.000 0.211 394 L C 2.442 179.246 176.870 -0.110 0.000 1.075 394 L CA 0.246 55.025 54.840 -0.101 0.000 0.830 394 L CB -0.309 41.690 42.059 -0.099 0.000 0.996 394 L HN 0.055 nan 8.230 nan 0.000 0.467 395 A N 1.345 124.093 122.820 -0.119 0.000 1.892 395 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 395 A C -0.170 177.339 177.584 -0.125 0.000 1.188 395 A CA 1.813 53.776 52.037 -0.124 0.000 0.631 395 A CB -1.790 17.129 19.000 -0.135 0.000 0.822 395 A HN 0.254 nan 8.150 nan 0.000 0.447 396 P HA -0.097 nan 4.420 nan 0.000 0.222 396 P C 1.238 178.469 177.300 -0.115 0.000 1.147 396 P CA 0.655 63.688 63.100 -0.112 0.000 0.790 396 P CB -0.138 31.505 31.700 -0.095 0.000 0.780 397 L N -0.979 120.176 121.223 -0.112 0.000 2.191 397 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 397 L C 2.401 179.184 176.870 -0.144 0.000 1.103 397 L CA 1.307 56.079 54.840 -0.112 0.000 0.769 397 L CB -0.596 41.403 42.059 -0.100 0.000 0.908 397 L HN -0.012 nan 8.230 nan 0.000 0.438 398 R N -0.206 120.194 120.500 -0.167 0.000 2.189 398 R HA -0.094 4.246 4.340 -0.000 0.000 0.223 398 R C 2.053 178.202 176.300 -0.251 0.000 1.092 398 R CA 0.644 56.609 56.100 -0.224 0.000 0.989 398 R CB -0.032 30.135 30.300 -0.222 0.000 0.876 398 R HN 0.295 nan 8.270 nan 0.000 0.457 399 K N 0.068 120.351 120.400 -0.196 0.000 2.099 399 K HA 0.023 4.343 4.320 -0.000 0.000 0.203 399 K C 2.153 178.660 176.600 -0.154 0.000 1.047 399 K CA 1.390 57.568 56.287 -0.182 0.000 0.963 399 K CB -0.018 32.394 32.500 -0.148 0.000 0.759 399 K HN 0.132 nan 8.250 nan 0.000 0.451 400 S N 0.642 116.265 115.700 -0.129 0.000 2.470 400 S HA 0.013 4.483 4.470 -0.000 0.000 0.225 400 S C 0.818 175.359 174.600 -0.099 0.000 1.006 400 S CA 0.185 58.323 58.200 -0.103 0.000 0.934 400 S CB -0.067 63.083 63.200 -0.085 0.000 0.778 400 S HN 0.056 nan 8.310 nan 0.000 0.517 401 N N 2.208 120.838 118.700 -0.116 0.000 2.626 401 N HA 0.353 5.093 4.740 -0.000 0.000 0.249 401 N C -2.336 173.091 175.510 -0.137 0.000 1.021 401 N CA -2.183 50.811 53.050 -0.093 0.000 0.886 401 N CB 1.931 40.377 38.487 -0.068 0.000 1.149 401 N HN 0.025 nan 8.380 nan 0.000 0.517 402 P HA -0.094 nan 4.420 nan 0.000 0.223 402 P C 0.899 178.098 177.300 -0.170 0.000 1.144 402 P CA 0.604 63.568 63.100 -0.227 0.000 0.783 402 P CB 0.390 32.100 31.700 0.018 0.000 0.771 403 A N 0.251 123.088 122.820 0.030 0.000 1.930 403 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 403 A C 2.290 179.868 177.584 -0.010 0.000 1.175 403 A CA 1.110 53.213 52.037 0.110 0.000 0.627 403 A CB -1.328 17.750 19.000 0.130 0.000 0.815 403 A HN 0.154 nan 8.150 nan 0.000 0.443 404 I N -0.705 119.808 120.570 -0.094 0.000 2.500 404 I HA -0.165 4.005 4.170 -0.000 0.000 0.252 404 I C 2.820 178.798 176.117 -0.232 0.000 1.142 404 I CA 0.880 62.106 61.300 -0.124 0.000 1.451 404 I CB -0.201 37.723 38.000 -0.127 0.000 1.093 404 I HN 0.352 nan 8.210 nan 0.000 0.430 405 A N 0.069 122.633 122.820 -0.426 0.000 1.930 405 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 405 A C 1.509 178.722 177.584 -0.618 0.000 1.176 405 A CA 1.371 52.998 52.037 -0.683 0.000 0.632 405 A CB -0.313 17.985 19.000 -1.171 0.000 0.819 405 A HN 0.477 nan 8.150 nan 0.000 0.445 406 Y N -0.985 119.136 120.300 -0.298 0.000 2.563 406 Y HA 0.370 4.920 4.550 -0.000 0.000 0.250 406 Y C 1.439 177.290 175.900 -0.081 0.000 1.126 406 Y CA -1.029 56.889 58.100 -0.303 0.000 1.231 406 Y CB -0.680 37.301 38.460 -0.798 0.000 1.288 406 Y HN 0.203 nan 8.280 nan 0.000 0.537 407 G N 1.102 109.971 108.800 0.115 0.000 2.594 407 G HA2 0.335 4.295 3.960 -0.000 0.000 0.243 407 G HA3 0.335 4.295 3.960 -0.000 0.000 0.243 407 G C 0.370 175.382 174.900 0.187 0.000 1.229 407 G CA -0.040 45.200 45.100 0.234 0.000 0.843 407 G HN 0.256 nan 8.290 nan 0.000 0.578 408 S N -0.628 115.189 115.700 0.195 0.000 2.617 408 S HA 0.568 5.038 4.470 -0.000 0.000 0.259 408 S C 0.045 174.728 174.600 0.138 0.000 1.301 408 S CA -0.374 57.914 58.200 0.147 0.000 0.984 408 S CB 1.382 64.661 63.200 0.132 0.000 0.954 408 S HN 0.575 nan 8.310 nan 0.000 0.572 409 T N 1.473 116.101 114.554 0.123 0.000 2.841 409 T HA 0.537 4.887 4.350 -0.000 0.000 0.285 409 T C -0.960 173.825 174.700 0.141 0.000 0.991 409 T CA -0.533 61.651 62.100 0.141 0.000 0.966 409 T CB 1.317 70.244 68.868 0.098 0.000 0.962 409 T HN 0.704 nan 8.240 nan 0.000 0.438 410 Q N 2.342 122.249 119.800 0.178 0.000 2.305 410 Q HA 0.301 4.641 4.340 -0.000 0.000 0.271 410 Q C -1.032 175.091 176.000 0.204 0.000 1.046 410 Q CA -0.734 55.164 55.803 0.159 0.000 0.798 410 Q CB 1.681 30.497 28.738 0.130 0.000 1.286 410 Q HN 0.596 nan 8.270 nan 0.000 0.435 411 E N 3.648 123.955 120.200 0.178 0.000 2.324 411 E HA 0.061 4.411 4.350 -0.000 0.000 0.271 411 E C -0.298 176.412 176.600 0.182 0.000 1.028 411 E CA 0.119 56.640 56.400 0.201 0.000 0.890 411 E CB 0.690 30.478 29.700 0.147 0.000 1.004 411 E HN 0.647 nan 8.360 nan 0.000 0.431 412 R N 3.338 123.977 120.500 0.230 0.000 2.344 412 R HA 0.142 4.482 4.340 -0.000 0.000 0.209 412 R C -0.313 176.176 176.300 0.315 0.000 0.886 412 R CA 0.153 56.391 56.100 0.229 0.000 1.040 412 R CB 0.436 30.872 30.300 0.227 0.000 1.114 412 R HN 0.585 nan 8.270 nan 0.000 0.547 413 W N -0.037 121.324 121.300 0.101 0.000 3.571 413 W HA 0.557 5.217 4.660 -0.000 0.000 0.294 413 W C -1.706 174.841 176.519 0.047 0.000 1.257 413 W CA -0.589 56.800 57.345 0.072 0.000 1.206 413 W CB 1.311 30.819 29.460 0.080 0.000 1.325 413 W HN -0.179 nan 8.180 nan 0.000 0.546 414 I N 5.949 126.479 120.570 -0.067 0.000 2.785 414 I HA 0.410 4.580 4.170 -0.000 0.000 0.293 414 I C -1.587 174.365 176.117 -0.276 0.000 1.446 414 I CA -0.437 60.822 61.300 -0.069 0.000 1.028 414 I CB 1.470 39.383 38.000 -0.145 0.000 1.349 414 I HN 0.644 nan 8.210 nan 0.000 0.438 415 N N 3.790 122.374 118.700 -0.194 0.000 3.439 415 N HA 0.383 5.123 4.740 -0.000 0.000 0.313 415 N C -0.265 175.094 175.510 -0.253 0.000 1.598 415 N CA -0.661 52.311 53.050 -0.130 0.000 0.830 415 N CB 0.004 38.519 38.487 0.045 0.000 1.849 415 N HN 0.418 nan 8.380 nan 0.000 0.598 416 N N -0.207 118.493 118.700 0.001 0.000 2.094 416 N HA -0.111 4.629 4.740 -0.000 0.000 0.191 416 N C -0.120 175.332 175.510 -0.096 0.000 1.023 416 N CA 1.663 54.710 53.050 -0.004 0.000 0.857 416 N CB -0.293 38.240 38.487 0.077 0.000 1.013 416 N HN 0.569 nan 8.380 nan 0.000 0.426 417 D N -0.577 119.797 120.400 -0.045 0.000 2.417 417 D HA 0.123 4.762 4.640 -0.000 0.000 0.207 417 D C -0.064 176.222 176.300 -0.022 0.000 1.075 417 D CA 0.132 54.103 54.000 -0.049 0.000 0.851 417 D CB 1.228 42.025 40.800 -0.005 0.000 0.976 417 D HN -0.055 nan 8.370 nan 0.000 0.505 418 V N 1.813 121.749 119.914 0.036 0.000 2.555 418 V HA 0.431 4.551 4.120 -0.000 0.000 0.302 418 V C -0.685 175.490 176.094 0.135 0.000 1.038 418 V CA -0.868 61.504 62.300 0.120 0.000 0.887 418 V CB 2.540 34.504 31.823 0.234 0.000 0.991 418 V HN -0.067 nan 8.190 nan 0.000 0.434 419 L N 6.343 127.667 121.223 0.169 0.000 2.439 419 L HA 0.673 5.013 4.340 -0.000 0.000 0.270 419 L C -1.035 176.036 176.870 0.334 0.000 0.972 419 L CA 0.064 55.042 54.840 0.229 0.000 0.836 419 L CB 1.585 43.753 42.059 0.180 0.000 1.255 419 L HN 0.568 nan 8.230 nan 0.000 0.404 420 I N 6.242 127.030 120.570 0.364 0.000 2.382 420 I HA 0.392 4.562 4.170 -0.000 0.000 0.286 420 I C -1.096 175.224 176.117 0.339 0.000 1.002 420 I CA -0.749 60.731 61.300 0.301 0.000 1.135 420 I CB 1.222 39.415 38.000 0.321 0.000 1.288 420 I HN 0.627 nan 8.210 nan 0.000 0.448 421 Y N 3.277 123.705 120.300 0.213 0.000 2.562 421 Y HA 0.761 5.311 4.550 -0.000 0.000 0.343 421 Y C -0.637 175.355 175.900 0.153 0.000 1.025 421 Y CA -1.402 56.806 58.100 0.181 0.000 1.082 421 Y CB 1.097 39.670 38.460 0.189 0.000 1.264 421 Y HN 0.504 nan 8.280 nan 0.000 0.478 422 E N 2.088 122.451 120.200 0.272 0.000 2.210 422 E HA 0.479 4.829 4.350 -0.000 0.000 0.266 422 E C -1.199 175.523 176.600 0.202 0.000 0.883 422 E CA -1.120 55.378 56.400 0.164 0.000 0.761 422 E CB 1.093 30.870 29.700 0.128 0.000 1.156 422 E HN 0.625 nan 8.360 nan 0.000 0.412 423 R N 3.309 123.904 120.500 0.159 0.000 2.460 423 R HA 0.479 4.819 4.340 -0.000 0.000 0.303 423 R C -0.714 175.670 176.300 0.141 0.000 0.968 423 R CA -0.654 55.540 56.100 0.156 0.000 0.889 423 R CB 1.469 31.845 30.300 0.126 0.000 1.123 423 R HN 0.530 nan 8.270 nan 0.000 0.455 424 K N 2.150 122.649 120.400 0.166 0.000 2.535 424 K HA 0.444 4.764 4.320 -0.000 0.000 0.251 424 K C -1.906 174.852 176.600 0.264 0.000 0.942 424 K CA -0.579 55.814 56.287 0.177 0.000 0.798 424 K CB 1.451 34.028 32.500 0.127 0.000 1.267 424 K HN 0.431 nan 8.250 nan 0.000 0.434 425 F N 3.984 123.985 119.950 0.085 0.000 2.787 425 F HA 0.422 4.949 4.527 -0.000 0.000 0.340 425 F C 0.203 176.048 175.800 0.075 0.000 1.232 425 F CA 0.747 58.803 58.000 0.093 0.000 1.051 425 F CB 1.291 40.367 39.000 0.127 0.000 1.330 425 F HN 0.836 nan 8.300 nan 0.000 0.522 426 G N 3.363 111.888 108.800 -0.459 0.000 2.596 426 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.295 426 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.295 426 G C 0.170 175.038 174.900 -0.053 0.000 1.240 426 G CA 0.060 44.968 45.100 -0.320 0.000 0.985 426 G HN 0.984 nan 8.290 nan 0.000 0.555 427 S N 2.611 118.317 115.700 0.009 0.000 2.849 427 S HA 0.366 4.836 4.470 -0.000 0.000 0.244 427 S C 0.153 174.858 174.600 0.174 0.000 1.297 427 S CA -0.184 58.096 58.200 0.133 0.000 1.241 427 S CB -0.574 62.697 63.200 0.118 0.000 0.958 427 S HN 0.528 nan 8.310 nan 0.000 0.489 428 N N 0.773 119.581 118.700 0.181 0.000 2.287 428 N HA 0.506 5.246 4.740 -0.000 0.000 0.289 428 N C -1.365 174.273 175.510 0.214 0.000 1.066 428 N CA -0.348 52.806 53.050 0.173 0.000 0.841 428 N CB 2.436 41.009 38.487 0.144 0.000 1.599 428 N HN -0.014 nan 8.380 nan 0.000 0.476 429 V N 0.271 120.319 119.914 0.224 0.000 2.971 429 V HA 0.871 4.991 4.120 -0.000 0.000 0.309 429 V C -0.864 175.294 176.094 0.107 0.000 1.130 429 V CA -0.816 61.581 62.300 0.162 0.000 0.964 429 V CB 1.974 33.882 31.823 0.143 0.000 1.029 429 V HN 0.851 nan 8.190 nan 0.000 0.427 430 A N 2.924 125.786 122.820 0.069 0.000 2.427 430 A HA 0.890 5.210 4.320 -0.000 0.000 0.298 430 A C -1.427 176.160 177.584 0.006 0.000 1.036 430 A CA -0.525 51.529 52.037 0.028 0.000 0.701 430 A CB 1.932 20.935 19.000 0.005 0.000 1.250 430 A HN 0.744 nan 8.150 nan 0.000 0.412 431 V N 2.574 122.488 119.914 0.001 0.000 2.487 431 V HA 0.588 4.708 4.120 -0.000 0.000 0.298 431 V C -0.536 175.472 176.094 -0.145 0.000 1.028 431 V CA -0.528 61.776 62.300 0.006 0.000 0.860 431 V CB 1.682 33.615 31.823 0.183 0.000 0.991 431 V HN 0.706 nan 8.190 nan 0.000 0.427 432 V N 3.627 123.293 119.914 -0.412 0.000 2.487 432 V HA 0.832 4.952 4.120 -0.000 0.000 0.298 432 V C 0.156 176.011 176.094 -0.397 0.000 1.028 432 V CA -0.569 61.386 62.300 -0.575 0.000 0.860 432 V CB 1.817 33.125 31.823 -0.858 0.000 0.991 432 V HN 0.983 nan 8.190 nan 0.000 0.427 433 A N 4.643 127.297 122.820 -0.276 0.000 2.303 433 A HA 0.892 5.212 4.320 -0.000 0.000 0.320 433 A C -0.903 176.691 177.584 0.016 0.000 1.192 433 A CA -0.531 51.498 52.037 -0.014 0.000 0.821 433 A CB 1.436 20.534 19.000 0.162 0.000 1.188 433 A HN 0.727 nan 8.150 nan 0.000 0.492 434 V N 3.000 122.994 119.914 0.133 0.000 2.525 434 V HA 0.394 4.514 4.120 -0.000 0.000 0.299 434 V C -0.672 175.514 176.094 0.153 0.000 1.034 434 V CA -0.784 61.619 62.300 0.171 0.000 0.863 434 V CB 1.881 33.887 31.823 0.304 0.000 0.999 434 V HN 0.894 nan 8.190 nan 0.000 0.423 435 N N 3.647 122.421 118.700 0.124 0.000 2.564 435 N HA 0.291 5.031 4.740 -0.000 0.000 0.248 435 N C 1.055 176.628 175.510 0.105 0.000 0.986 435 N CA -0.784 52.320 53.050 0.090 0.000 0.921 435 N CB 1.275 39.797 38.487 0.059 0.000 1.136 435 N HN 0.705 nan 8.380 nan 0.000 0.509 436 R N 2.084 122.636 120.500 0.088 0.000 2.235 436 R HA 0.039 4.379 4.340 -0.000 0.000 0.213 436 R C 0.191 176.530 176.300 0.065 0.000 1.059 436 R CA 0.299 56.460 56.100 0.100 0.000 0.997 436 R CB -0.177 30.093 30.300 -0.050 0.000 0.884 436 R HN 0.257 nan 8.270 nan 0.000 0.462 437 N N 1.557 120.280 118.700 0.038 0.000 2.427 437 N HA -0.044 4.696 4.740 -0.000 0.000 0.269 437 N C 0.150 175.687 175.510 0.045 0.000 1.235 437 N CA -0.006 53.064 53.050 0.033 0.000 0.934 437 N CB 0.925 39.427 38.487 0.026 0.000 1.121 437 N HN 0.147 nan 8.380 nan 0.000 0.480 438 L N 3.707 124.959 121.223 0.048 0.000 2.552 438 L HA 0.042 4.382 4.340 -0.000 0.000 0.227 438 L C 0.870 177.762 176.870 0.037 0.000 1.146 438 L CA 1.046 55.916 54.840 0.050 0.000 0.858 438 L CB -0.441 41.651 42.059 0.055 0.000 0.969 438 L HN 0.576 nan 8.230 nan 0.000 0.451 439 N N -1.144 117.574 118.700 0.031 0.000 2.171 439 N HA 0.371 5.111 4.740 -0.000 0.000 0.212 439 N C 0.095 175.618 175.510 0.023 0.000 1.184 439 N CA 0.289 53.354 53.050 0.025 0.000 0.888 439 N CB 0.932 39.432 38.487 0.021 0.000 1.038 439 N HN 0.123 nan 8.380 nan 0.000 0.517 440 A N 1.478 124.313 122.820 0.025 0.000 2.375 440 A HA 0.523 4.843 4.320 -0.000 0.000 0.295 440 A C -2.701 174.896 177.584 0.021 0.000 1.066 440 A CA -1.382 50.668 52.037 0.022 0.000 0.722 440 A CB 1.503 20.516 19.000 0.023 0.000 1.206 440 A HN -0.137 nan 8.150 nan 0.000 0.435 441 P HA 0.528 nan 4.420 nan 0.000 0.275 441 P C -0.332 176.962 177.300 -0.009 0.000 1.266 441 P CA -0.130 62.974 63.100 0.006 0.000 0.793 441 P CB 1.355 33.058 31.700 0.006 0.000 1.074 442 A N 0.161 122.952 122.820 -0.049 0.000 2.414 442 A HA 0.514 4.834 4.320 -0.000 0.000 0.306 442 A C -0.368 177.101 177.584 -0.192 0.000 1.054 442 A CA -0.622 51.365 52.037 -0.084 0.000 0.724 442 A CB 1.184 20.126 19.000 -0.096 0.000 1.267 442 A HN 0.412 nan 8.150 nan 0.000 0.418 443 S N 2.240 117.843 115.700 -0.161 0.000 2.410 443 S HA 0.495 4.965 4.470 -0.000 0.000 0.304 443 S C -0.329 174.036 174.600 -0.391 0.000 1.095 443 S CA -0.537 57.530 58.200 -0.221 0.000 1.089 443 S CB -0.407 62.746 63.200 -0.077 0.000 0.968 443 S HN 0.439 nan 8.310 nan 0.000 0.480 444 I N 5.751 125.858 120.570 -0.772 0.000 2.291 444 I HA 0.308 4.478 4.170 -0.000 0.000 0.290 444 I C 0.408 176.183 176.117 -0.570 0.000 1.050 444 I CA -0.234 60.399 61.300 -1.111 0.000 1.245 444 I CB 0.123 36.994 38.000 -1.883 0.000 1.405 444 I HN 0.676 nan 8.210 nan 0.000 0.478 445 S N 2.659 118.298 115.700 -0.102 0.000 2.548 445 S HA 0.809 5.279 4.470 -0.000 0.000 0.286 445 S C 0.554 175.322 174.600 0.280 0.000 1.098 445 S CA -0.041 58.201 58.200 0.069 0.000 0.930 445 S CB 2.301 65.544 63.200 0.072 0.000 1.070 445 S HN 1.109 nan 8.310 nan 0.000 0.480 446 G N 0.141 109.061 108.800 0.200 0.000 2.157 446 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.248 446 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.248 446 G C -0.197 174.871 174.900 0.279 0.000 0.979 446 G CA 0.075 45.306 45.100 0.219 0.000 0.650 446 G HN 1.245 nan 8.290 nan 0.000 0.529 447 L N 1.534 122.932 121.223 0.292 0.000 2.410 447 L HA 0.642 4.982 4.340 -0.000 0.000 0.273 447 L C 0.202 177.169 176.870 0.162 0.000 1.144 447 L CA -0.324 54.693 54.840 0.294 0.000 0.863 447 L CB 1.334 43.515 42.059 0.204 0.000 1.140 447 L HN 0.127 nan 8.230 nan 0.000 0.463 448 V N 4.730 124.733 119.914 0.148 0.000 2.604 448 V HA 0.760 4.880 4.120 -0.000 0.000 0.305 448 V C 0.195 176.328 176.094 0.064 0.000 1.043 448 V CA 0.006 62.353 62.300 0.080 0.000 0.888 448 V CB 1.899 33.764 31.823 0.070 0.000 0.995 448 V HN 1.008 nan 8.190 nan 0.000 0.429 449 T N 0.175 114.739 114.554 0.016 0.000 2.804 449 T HA 0.387 4.737 4.350 -0.000 0.000 0.290 449 T C 0.369 175.052 174.700 -0.027 0.000 1.099 449 T CA -0.410 61.688 62.100 -0.002 0.000 1.011 449 T CB 1.926 70.763 68.868 -0.052 0.000 1.291 449 T HN 0.303 nan 8.240 nan 0.000 0.523 450 S N 0.047 115.727 115.700 -0.033 0.000 2.577 450 S HA 0.315 4.785 4.470 -0.000 0.000 0.219 450 S C 0.516 175.046 174.600 -0.117 0.000 0.962 450 S CA -0.464 57.707 58.200 -0.048 0.000 0.921 450 S CB -0.671 62.524 63.200 -0.009 0.000 0.789 450 S HN 0.462 nan 8.310 nan 0.000 0.497 451 L N 2.969 124.095 121.223 -0.162 0.000 2.367 451 L HA 0.267 4.607 4.340 -0.000 0.000 0.275 451 L C -2.383 174.376 176.870 -0.184 0.000 1.129 451 L CA -1.988 52.693 54.840 -0.264 0.000 0.839 451 L CB 0.067 41.826 42.059 -0.500 0.000 1.133 451 L HN -0.086 nan 8.230 nan 0.000 0.453 452 P HA -0.006 nan 4.420 nan 0.000 0.269 452 P C -1.045 176.278 177.300 0.039 0.000 1.209 452 P CA -0.435 62.582 63.100 -0.138 0.000 0.776 452 P CB 0.357 31.900 31.700 -0.261 0.000 0.876 453 Q N 1.137 120.940 119.800 0.005 0.000 2.304 453 Q HA 0.408 4.748 4.340 -0.000 0.000 0.301 453 Q C 0.287 176.300 176.000 0.022 0.000 1.063 453 Q CA -0.096 55.722 55.803 0.025 0.000 0.947 453 Q CB -0.072 28.662 28.738 -0.008 0.000 1.201 453 Q HN 0.663 nan 8.270 nan 0.000 0.389 454 G N 0.630 109.438 108.800 0.012 0.000 2.356 454 G HA2 0.162 4.122 3.960 -0.000 0.000 0.288 454 G HA3 0.162 4.122 3.960 -0.000 0.000 0.288 454 G C -1.640 173.150 174.900 -0.182 0.000 1.302 454 G CA -0.355 44.671 45.100 -0.124 0.000 0.887 454 G HN 0.673 nan 8.290 nan 0.000 0.521 455 S N -0.941 114.565 115.700 -0.323 0.000 2.489 455 S HA 0.790 5.260 4.470 -0.000 0.000 0.291 455 S C -1.388 172.934 174.600 -0.464 0.000 1.151 455 S CA -0.501 57.542 58.200 -0.262 0.000 1.082 455 S CB 0.633 63.736 63.200 -0.163 0.000 1.019 455 S HN 0.540 nan 8.310 nan 0.000 0.492 456 Y N 3.371 123.605 120.300 -0.109 0.000 2.338 456 Y HA 0.420 4.970 4.550 -0.000 0.000 0.333 456 Y C 0.425 176.383 175.900 0.096 0.000 0.968 456 Y CA -1.066 57.027 58.100 -0.012 0.000 1.123 456 Y CB 1.271 39.708 38.460 -0.039 0.000 1.165 456 Y HN 0.579 nan 8.280 nan 0.000 0.452 457 N N 1.973 120.814 118.700 0.235 0.000 2.529 457 N HA 0.015 4.755 4.740 -0.000 0.000 0.278 457 N C -0.763 174.923 175.510 0.293 0.000 1.146 457 N CA -0.334 52.845 53.050 0.215 0.000 0.980 457 N CB 0.929 39.476 38.487 0.100 0.000 1.124 457 N HN 0.693 nan 8.380 nan 0.000 0.458 458 D N 1.029 121.559 120.400 0.217 0.000 2.434 458 D HA -0.022 4.618 4.640 -0.000 0.000 0.252 458 D C 1.069 177.348 176.300 -0.035 0.000 1.185 458 D CA -0.127 53.869 54.000 -0.006 0.000 0.886 458 D CB 0.755 41.532 40.800 -0.039 0.000 1.148 458 D HN 0.143 nan 8.370 nan 0.000 0.483 459 V N 4.464 124.322 119.914 -0.093 0.000 2.469 459 V HA -0.218 3.902 4.120 -0.000 0.000 0.251 459 V C 2.209 178.262 176.094 -0.069 0.000 1.064 459 V CA 1.302 63.564 62.300 -0.062 0.000 1.066 459 V CB -0.519 31.254 31.823 -0.083 0.000 0.667 459 V HN 0.654 nan 8.190 nan 0.000 0.461 460 L N 0.451 121.614 121.223 -0.101 0.000 2.610 460 L HA 0.191 4.531 4.340 -0.000 0.000 0.232 460 L C 1.801 178.647 176.870 -0.040 0.000 1.149 460 L CA 0.769 55.564 54.840 -0.074 0.000 0.872 460 L CB -0.776 41.226 42.059 -0.096 0.000 0.992 460 L HN 0.544 nan 8.230 nan 0.000 0.447 461 G N 0.229 109.012 108.800 -0.028 0.000 2.258 461 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.274 461 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.274 461 G C 1.003 175.904 174.900 0.002 0.000 1.021 461 G CA 0.428 45.526 45.100 -0.004 0.000 0.798 461 G HN 0.686 nan 8.290 nan 0.000 0.507 462 G N -1.821 106.976 108.800 -0.005 0.000 2.159 462 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.256 462 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.256 462 G C 1.193 176.096 174.900 0.006 0.000 0.977 462 G CA 1.032 46.136 45.100 0.007 0.000 0.652 462 G HN 1.583 nan 8.290 nan 0.000 0.531 463 L N 0.020 121.242 121.223 -0.002 0.000 2.081 463 L HA 0.168 4.508 4.340 -0.000 0.000 0.212 463 L C 1.955 178.832 176.870 0.011 0.000 1.080 463 L CA 2.263 57.108 54.840 0.007 0.000 0.754 463 L CB -0.100 41.961 42.059 0.004 0.000 0.893 463 L HN 0.415 nan 8.230 nan 0.000 0.433 464 L N -0.089 121.133 121.223 -0.001 0.000 3.094 464 L HA 0.264 4.604 4.340 -0.000 0.000 0.254 464 L C 0.184 177.061 176.870 0.011 0.000 1.298 464 L CA -0.194 54.650 54.840 0.007 0.000 1.050 464 L CB -0.648 41.408 42.059 -0.005 0.000 1.420 464 L HN 0.310 nan 8.230 nan 0.000 0.548 465 N N -0.339 118.372 118.700 0.018 0.000 2.741 465 N HA -0.172 4.568 4.740 -0.000 0.000 0.250 465 N C 0.721 176.254 175.510 0.038 0.000 1.115 465 N CA 0.790 53.859 53.050 0.031 0.000 0.724 465 N CB -0.971 37.539 38.487 0.039 0.000 1.090 465 N HN 0.629 nan 8.380 nan 0.000 0.558 466 G N -0.295 108.512 108.800 0.012 0.000 2.651 466 G HA2 0.434 4.394 3.960 -0.000 0.000 0.260 466 G HA3 0.434 4.394 3.960 -0.000 0.000 0.260 466 G C 0.272 175.218 174.900 0.078 0.000 1.216 466 G CA 0.098 45.203 45.100 0.008 0.000 0.913 466 G HN 0.556 nan 8.290 nan 0.000 0.535 467 N N -2.345 116.453 118.700 0.163 0.000 2.571 467 N HA 0.494 5.234 4.740 -0.000 0.000 0.273 467 N C -0.744 174.938 175.510 0.286 0.000 1.340 467 N CA -0.816 52.345 53.050 0.184 0.000 0.789 467 N CB 1.364 39.956 38.487 0.176 0.000 1.514 467 N HN 0.345 nan 8.380 nan 0.000 0.499 468 T N 0.700 115.341 114.554 0.145 0.000 2.907 468 T HA 0.294 4.644 4.350 -0.000 0.000 0.298 468 T C -0.546 174.048 174.700 -0.177 0.000 1.017 468 T CA -0.158 61.999 62.100 0.095 0.000 1.118 468 T CB 0.257 69.139 68.868 0.023 0.000 0.948 468 T HN 0.415 nan 8.240 nan 0.000 0.531 469 L N 2.713 123.669 121.223 -0.446 0.000 2.307 469 L HA 0.527 4.867 4.340 -0.000 0.000 0.284 469 L C -0.330 176.293 176.870 -0.412 0.000 1.023 469 L CA -0.005 54.312 54.840 -0.872 0.000 0.810 469 L CB 1.770 42.716 42.059 -1.855 0.000 1.231 469 L HN 0.532 nan 8.230 nan 0.000 0.423 470 S N 3.909 119.411 115.700 -0.330 0.000 2.448 470 S HA 0.582 5.052 4.470 -0.000 0.000 0.320 470 S C -0.637 173.886 174.600 -0.127 0.000 1.071 470 S CA -0.550 57.556 58.200 -0.158 0.000 1.113 470 S CB 1.140 64.276 63.200 -0.105 0.000 0.972 470 S HN 0.385 nan 8.310 nan 0.000 0.465 471 V N 3.503 123.387 119.914 -0.051 0.000 2.394 471 V HA 0.687 4.807 4.120 -0.000 0.000 0.282 471 V C 0.939 177.026 176.094 -0.013 0.000 1.031 471 V CA -0.395 61.887 62.300 -0.031 0.000 0.881 471 V CB 1.357 33.194 31.823 0.024 0.000 0.982 471 V HN 0.899 nan 8.190 nan 0.000 0.451 472 G N 2.858 111.647 108.800 -0.019 0.000 2.736 472 G HA2 0.446 4.406 3.960 -0.000 0.000 0.229 472 G HA3 0.446 4.406 3.960 -0.000 0.000 0.229 472 G C -0.050 174.844 174.900 -0.011 0.000 1.380 472 G CA -0.611 44.481 45.100 -0.013 0.000 1.040 472 G HN 0.645 nan 8.290 nan 0.000 0.568 473 S N -0.668 115.027 115.700 -0.009 0.000 2.558 473 S HA 0.350 4.820 4.470 -0.000 0.000 0.293 473 S C 1.462 176.057 174.600 -0.008 0.000 1.292 473 S CA 0.908 59.103 58.200 -0.008 0.000 1.063 473 S CB 0.616 63.813 63.200 -0.005 0.000 0.831 473 S HN 2.040 nan 8.310 nan 0.000 0.499 474 G N 1.778 110.571 108.800 -0.012 0.000 2.166 474 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.260 474 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.260 474 G C 0.997 175.889 174.900 -0.014 0.000 0.986 474 G CA 0.477 45.570 45.100 -0.011 0.000 0.683 474 G HN 2.125 nan 8.290 nan 0.000 0.527 475 G N -1.732 107.054 108.800 -0.023 0.000 2.143 475 G HA2 0.200 4.160 3.960 -0.000 0.000 0.249 475 G HA3 0.200 4.160 3.960 -0.000 0.000 0.249 475 G C 0.643 175.529 174.900 -0.024 0.000 0.981 475 G CA 1.116 46.195 45.100 -0.034 0.000 0.665 475 G HN 2.300 nan 8.290 nan 0.000 0.528 476 A N 0.154 122.969 122.820 -0.008 0.000 2.354 476 A HA 0.829 5.149 4.320 -0.000 0.000 0.281 476 A C 0.844 178.424 177.584 -0.006 0.000 1.174 476 A CA 0.911 52.953 52.037 0.008 0.000 0.828 476 A CB 0.490 19.501 19.000 0.020 0.000 1.099 476 A HN 2.045 nan 8.150 nan 0.000 0.516 477 A N 3.270 126.087 122.820 -0.005 0.000 2.354 477 A HA 0.570 4.890 4.320 -0.000 0.000 0.269 477 A C 0.827 178.427 177.584 0.027 0.000 1.109 477 A CA -0.269 51.748 52.037 -0.034 0.000 0.800 477 A CB 0.032 18.989 19.000 -0.073 0.000 1.045 477 A HN 0.900 nan 8.150 nan 0.000 0.489 478 S N 1.883 117.588 115.700 0.008 0.000 2.584 478 S HA 0.095 4.565 4.470 -0.000 0.000 0.270 478 S C 0.467 175.139 174.600 0.119 0.000 1.346 478 S CA -0.607 57.617 58.200 0.041 0.000 1.018 478 S CB 0.110 63.317 63.200 0.012 0.000 0.899 478 S HN 0.767 nan 8.310 nan 0.000 0.542 479 N N 1.771 120.523 118.700 0.087 0.000 2.407 479 N HA 0.310 5.050 4.740 -0.000 0.000 0.250 479 N C -0.489 175.116 175.510 0.159 0.000 1.236 479 N CA 0.445 53.536 53.050 0.069 0.000 0.879 479 N CB -0.249 38.248 38.487 0.017 0.000 1.088 479 N HN 0.580 nan 8.380 nan 0.000 0.450 480 F N -2.522 117.375 119.950 -0.088 0.000 2.686 480 F HA 0.496 5.023 4.527 -0.000 0.000 0.311 480 F C -0.629 175.125 175.800 -0.076 0.000 1.128 480 F CA -1.099 56.856 58.000 -0.076 0.000 0.946 480 F CB 0.826 39.774 39.000 -0.088 0.000 1.336 480 F HN 0.051 nan 8.300 nan 0.000 0.457 481 T N 3.357 117.952 114.554 0.067 0.000 2.767 481 T HA 0.491 4.841 4.350 -0.000 0.000 0.288 481 T C -0.975 173.774 174.700 0.081 0.000 0.963 481 T CA -0.261 61.816 62.100 -0.037 0.000 1.019 481 T CB 1.065 69.948 68.868 0.024 0.000 0.923 481 T HN 0.671 nan 8.240 nan 0.000 0.468 482 L N 4.679 125.861 121.223 -0.068 0.000 2.259 482 L HA 0.658 4.998 4.340 -0.000 0.000 0.288 482 L C 0.514 177.409 176.870 0.041 0.000 1.051 482 L CA -0.486 54.394 54.840 0.067 0.000 0.824 482 L CB -0.319 41.722 42.059 -0.030 0.000 1.206 482 L HN 0.771 nan 8.230 nan 0.000 0.429 483 A N 4.439 127.306 122.820 0.079 0.000 2.492 483 A HA 0.508 4.827 4.320 -0.000 0.000 0.236 483 A C 0.629 178.241 177.584 0.045 0.000 1.078 483 A CA 0.218 52.288 52.037 0.055 0.000 0.773 483 A CB -0.161 18.876 19.000 0.061 0.000 1.023 483 A HN 1.165 nan 8.150 nan 0.000 0.504 484 A N 0.325 123.168 122.820 0.038 0.000 2.546 484 A HA 0.472 4.792 4.320 -0.000 0.000 0.243 484 A C 1.669 179.283 177.584 0.049 0.000 1.063 484 A CA 0.760 52.820 52.037 0.040 0.000 0.757 484 A CB -1.011 18.009 19.000 0.034 0.000 0.991 484 A HN 2.779 nan 8.150 nan 0.000 0.503 485 G N 1.907 110.742 108.800 0.060 0.000 2.180 485 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.263 485 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.263 485 G C 0.843 175.784 174.900 0.068 0.000 0.989 485 G CA 0.782 45.926 45.100 0.074 0.000 0.692 485 G HN 1.959 nan 8.290 nan 0.000 0.526 486 G N -0.718 108.120 108.800 0.063 0.000 2.441 486 G HA2 0.554 4.514 3.960 -0.000 0.000 0.243 486 G HA3 0.554 4.514 3.960 -0.000 0.000 0.243 486 G C -0.099 174.828 174.900 0.047 0.000 1.281 486 G CA 0.860 45.994 45.100 0.056 0.000 0.854 486 G HN 0.738 nan 8.290 nan 0.000 0.560 487 T N 0.355 114.912 114.554 0.004 0.000 2.991 487 T HA 0.654 5.004 4.350 -0.000 0.000 0.303 487 T C -0.305 174.302 174.700 -0.154 0.000 1.015 487 T CA -0.045 62.028 62.100 -0.045 0.000 1.007 487 T CB 1.695 70.548 68.868 -0.025 0.000 1.034 487 T HN 1.085 nan 8.240 nan 0.000 0.446 488 A N 2.425 125.051 122.820 -0.323 0.000 2.475 488 A HA 0.917 5.237 4.320 -0.000 0.000 0.301 488 A C -1.284 175.742 177.584 -0.930 0.000 1.059 488 A CA -0.737 50.918 52.037 -0.637 0.000 0.710 488 A CB 1.658 20.175 19.000 -0.805 0.000 1.288 488 A HN 0.661 nan 8.150 nan 0.000 0.408 489 V N 2.026 121.390 119.914 -0.918 0.000 2.577 489 V HA 0.555 4.675 4.120 -0.000 0.000 0.303 489 V C -1.152 174.531 176.094 -0.685 0.000 1.042 489 V CA -0.516 61.358 62.300 -0.709 0.000 0.872 489 V CB 1.449 33.064 31.823 -0.347 0.000 0.998 489 V HN 0.832 nan 8.190 nan 0.000 0.423 490 W N 3.860 125.102 121.300 -0.097 0.000 2.761 490 W HA 0.758 5.418 4.660 -0.000 0.000 0.340 490 W C -0.218 176.244 176.519 -0.096 0.000 1.072 490 W CA -0.605 56.690 57.345 -0.084 0.000 1.215 490 W CB 2.105 31.463 29.460 -0.170 0.000 1.420 490 W HN 0.724 nan 8.180 nan 0.000 0.519 491 Q N 1.232 121.151 119.800 0.198 0.000 2.565 491 Q HA 0.666 5.006 4.340 -0.000 0.000 0.294 491 Q C -2.292 173.870 176.000 0.270 0.000 1.005 491 Q CA -1.061 54.826 55.803 0.140 0.000 0.771 491 Q CB 3.487 32.277 28.738 0.086 0.000 1.486 491 Q HN 0.407 nan 8.270 nan 0.000 0.422 492 Y N 0.517 120.869 120.300 0.088 0.000 2.401 492 Y HA 0.579 5.129 4.550 -0.000 0.000 0.330 492 Y C -1.817 174.132 175.900 0.081 0.000 1.071 492 Y CA -0.028 58.156 58.100 0.139 0.000 1.049 492 Y CB 2.377 40.916 38.460 0.131 0.000 1.239 492 Y HN 0.947 nan 8.280 nan 0.000 0.437 493 T N 2.614 116.792 114.554 -0.628 0.000 2.900 493 T HA 1.006 5.356 4.350 -0.000 0.000 0.295 493 T C -0.918 173.375 174.700 -0.678 0.000 1.044 493 T CA -0.274 61.521 62.100 -0.508 0.000 0.995 493 T CB 1.718 70.460 68.868 -0.211 0.000 1.072 493 T HN 1.438 nan 8.240 nan 0.000 0.473 494 A N 1.165 123.734 122.820 -0.419 0.000 2.601 494 A HA 0.897 5.217 4.320 -0.000 0.000 0.291 494 A C -0.279 177.246 177.584 -0.099 0.000 1.075 494 A CA -0.705 51.184 52.037 -0.246 0.000 0.671 494 A CB 0.612 19.489 19.000 -0.205 0.000 1.277 494 A HN 1.815 nan 8.150 nan 0.000 0.417 495 A N 0.557 123.345 122.820 -0.053 0.000 2.511 495 A HA 0.539 4.859 4.320 -0.000 0.000 0.242 495 A C 0.437 178.013 177.584 -0.013 0.000 1.069 495 A CA 0.743 52.763 52.037 -0.028 0.000 0.763 495 A CB -0.485 18.506 19.000 -0.016 0.000 1.001 495 A HN 1.003 nan 8.150 nan 0.000 0.498 496 T N 2.718 117.259 114.554 -0.023 0.000 2.744 496 T HA 0.436 4.786 4.350 -0.000 0.000 0.291 496 T C 1.353 176.038 174.700 -0.026 0.000 0.957 496 T CA 0.275 62.355 62.100 -0.034 0.000 1.002 496 T CB 1.478 70.299 68.868 -0.079 0.000 0.919 496 T HN 0.846 nan 8.240 nan 0.000 0.468 497 A N 3.386 126.200 122.820 -0.008 0.000 1.970 497 A HA 0.127 4.447 4.320 -0.000 0.000 0.216 497 A C 1.540 179.135 177.584 0.018 0.000 1.170 497 A CA 0.556 52.599 52.037 0.009 0.000 0.645 497 A CB -0.326 18.684 19.000 0.016 0.000 0.816 497 A HN 0.750 nan 8.150 nan 0.000 0.447 498 T N -1.910 112.644 114.554 0.000 0.000 2.867 498 T HA 0.559 4.909 4.350 -0.000 0.000 0.282 498 T C -3.137 171.574 174.700 0.019 0.000 1.000 498 T CA -2.466 59.645 62.100 0.019 0.000 1.042 498 T CB 1.409 70.280 68.868 0.004 0.000 0.973 498 T HN -0.079 nan 8.240 nan 0.000 0.465 499 P HA 0.237 nan 4.420 nan 0.000 0.263 499 P C -0.677 176.693 177.300 0.117 0.000 1.195 499 P CA 0.076 63.299 63.100 0.205 0.000 0.762 499 P CB 0.236 32.126 31.700 0.316 0.000 0.799 500 T N 4.549 119.131 114.554 0.047 0.000 2.949 500 T HA 0.435 4.785 4.350 -0.000 0.000 0.300 500 T C 0.056 174.872 174.700 0.195 0.000 0.988 500 T CA -0.407 61.680 62.100 -0.023 0.000 0.993 500 T CB 0.487 69.103 68.868 -0.420 0.000 0.984 500 T HN 0.155 nan 8.240 nan 0.000 0.442 501 I N 2.526 123.276 120.570 0.299 0.000 2.352 501 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 501 I C 1.347 177.657 176.117 0.322 0.000 1.036 501 I CA -0.018 61.466 61.300 0.306 0.000 1.336 501 I CB 1.248 39.348 38.000 0.167 0.000 1.407 501 I HN 0.898 nan 8.210 nan 0.000 0.497 502 G N 5.011 113.800 108.800 -0.018 0.000 2.850 502 G HA2 0.051 4.011 3.960 -0.000 0.000 0.211 502 G HA3 0.051 4.011 3.960 -0.000 0.000 0.211 502 G C 0.290 174.925 174.900 -0.441 0.000 1.124 502 G CA 0.292 45.115 45.100 -0.461 0.000 0.769 502 G HN 0.631 nan 8.290 nan 0.000 0.535 503 H N -1.135 117.549 119.070 -0.644 0.000 3.094 503 H HA 0.446 5.002 4.556 -0.000 0.000 0.335 503 H C -2.182 172.724 175.328 -0.703 0.000 1.254 503 H CA -0.249 55.450 56.048 -0.582 0.000 1.240 503 H CB 2.054 31.611 29.762 -0.343 0.000 1.936 503 H HN -0.098 nan 8.280 nan 0.000 0.536 504 V N 2.163 121.397 119.914 -1.133 0.000 2.760 504 V HA 0.719 4.839 4.120 -0.000 0.000 0.309 504 V C 0.034 175.933 176.094 -0.325 0.000 1.077 504 V CA -0.112 61.824 62.300 -0.607 0.000 0.910 504 V CB 1.886 33.330 31.823 -0.632 0.000 1.008 504 V HN 0.925 nan 8.190 nan 0.000 0.424 505 G N 4.221 113.023 108.800 0.003 0.000 2.755 505 G HA2 0.705 4.665 3.960 -0.000 0.000 0.297 505 G HA3 0.705 4.665 3.960 -0.000 0.000 0.297 505 G C -3.402 171.607 174.900 0.181 0.000 1.441 505 G CA -1.035 44.166 45.100 0.169 0.000 0.964 505 G HN 0.489 nan 8.290 nan 0.000 0.540 506 P HA 0.227 nan 4.420 nan 0.000 0.274 506 P C 0.277 177.718 177.300 0.235 0.000 1.256 506 P CA -0.362 62.852 63.100 0.189 0.000 0.795 506 P CB 1.216 32.993 31.700 0.127 0.000 1.038 507 M N -0.288 119.368 119.600 0.093 0.000 2.383 507 M HA 0.287 4.767 4.480 -0.000 0.000 0.247 507 M C 0.515 176.512 176.300 -0.505 0.000 1.117 507 M CA 0.346 55.627 55.300 -0.031 0.000 0.995 507 M CB -0.582 32.043 32.600 0.042 0.000 1.480 507 M HN 0.451 nan 8.290 nan 0.000 0.485 508 M N 0.824 120.195 119.600 -0.380 0.000 2.274 508 M HA 0.602 5.082 4.480 -0.000 0.000 0.272 508 M C -2.143 174.037 176.300 -0.199 0.000 1.053 508 M CA -0.183 54.876 55.300 -0.400 0.000 0.978 508 M CB 2.096 34.556 32.600 -0.233 0.000 1.836 508 M HN 0.048 nan 8.290 nan 0.000 0.484 509 A N 3.603 126.327 122.820 -0.159 0.000 2.544 509 A HA 0.599 4.919 4.320 -0.000 0.000 0.291 509 A C -1.890 175.706 177.584 0.020 0.000 1.055 509 A CA -0.979 51.049 52.037 -0.016 0.000 0.651 509 A CB 1.494 20.538 19.000 0.073 0.000 1.296 509 A HN 0.879 nan 8.150 nan 0.000 0.431 510 K N 0.081 120.492 120.400 0.018 0.000 2.090 510 K HA 0.661 4.981 4.320 -0.000 0.000 0.250 510 K C -2.712 173.892 176.600 0.006 0.000 1.004 510 K CA -1.525 54.768 56.287 0.010 0.000 0.919 510 K CB 0.277 32.777 32.500 -0.001 0.000 1.045 510 K HN 0.265 nan 8.250 nan 0.000 0.471 511 P HA -0.025 nan 4.420 nan 0.000 0.267 511 P C 0.470 177.735 177.300 -0.058 0.000 1.200 511 P CA 1.221 64.275 63.100 -0.076 0.000 0.772 511 P CB 0.602 32.247 31.700 -0.092 0.000 0.855 512 G N 0.396 109.148 108.800 -0.079 0.000 2.258 512 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.233 512 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.233 512 G C 0.131 175.012 174.900 -0.031 0.000 1.006 512 G CA -0.099 44.968 45.100 -0.054 0.000 0.620 512 G HN 0.543 nan 8.290 nan 0.000 0.511 513 V N 2.218 122.126 119.914 -0.010 0.000 2.686 513 V HA 0.482 4.602 4.120 -0.000 0.000 0.295 513 V C 0.971 177.079 176.094 0.022 0.000 1.055 513 V CA 0.619 62.928 62.300 0.014 0.000 1.050 513 V CB 1.485 33.336 31.823 0.046 0.000 0.984 513 V HN 0.319 nan 8.190 nan 0.000 0.482 514 T N 6.467 121.031 114.554 0.018 0.000 2.780 514 T HA 0.536 4.886 4.350 -0.000 0.000 0.294 514 T C -0.038 174.690 174.700 0.046 0.000 0.949 514 T CA -0.008 62.103 62.100 0.019 0.000 1.074 514 T CB 0.277 69.144 68.868 -0.001 0.000 0.910 514 T HN 0.589 nan 8.240 nan 0.000 0.501 515 I N 0.099 120.699 120.570 0.051 0.000 2.822 515 I HA 0.744 4.913 4.170 -0.000 0.000 0.312 515 I C -0.387 175.726 176.117 -0.006 0.000 1.011 515 I CA -0.846 60.489 61.300 0.058 0.000 1.105 515 I CB 2.039 40.082 38.000 0.071 0.000 1.291 515 I HN 0.309 nan 8.210 nan 0.000 0.474 516 T N 4.983 119.533 114.554 -0.007 0.000 2.786 516 T HA 0.582 4.931 4.350 -0.000 0.000 0.283 516 T C -0.222 174.417 174.700 -0.101 0.000 0.992 516 T CA -0.198 61.876 62.100 -0.044 0.000 0.954 516 T CB 0.935 69.805 68.868 0.004 0.000 0.934 516 T HN 0.372 nan 8.240 nan 0.000 0.440 517 I N 3.686 124.145 120.570 -0.185 0.000 2.330 517 I HA 0.358 4.528 4.170 -0.000 0.000 0.289 517 I C -0.373 175.670 176.117 -0.123 0.000 1.001 517 I CA -0.726 60.418 61.300 -0.260 0.000 1.193 517 I CB 1.145 38.880 38.000 -0.442 0.000 1.345 517 I HN 0.475 nan 8.210 nan 0.000 0.461 518 D N 4.595 124.955 120.400 -0.066 0.000 2.269 518 D HA 0.790 5.430 4.640 -0.000 0.000 0.244 518 D C 0.271 176.521 176.300 -0.084 0.000 0.992 518 D CA -0.056 53.938 54.000 -0.010 0.000 0.894 518 D CB 2.619 43.349 40.800 -0.117 0.000 1.248 518 D HN 0.758 nan 8.370 nan 0.000 0.468 519 G N 0.349 109.034 108.800 -0.192 0.000 2.512 519 G HA2 0.242 4.202 3.960 -0.000 0.000 0.181 519 G HA3 0.242 4.202 3.960 -0.000 0.000 0.181 519 G C -1.344 173.314 174.900 -0.404 0.000 1.173 519 G CA -0.604 44.329 45.100 -0.279 0.000 0.988 519 G HN 0.315 nan 8.290 nan 0.000 0.485 520 R N -0.817 119.382 120.500 -0.502 0.000 2.707 520 R HA 0.621 4.961 4.340 -0.000 0.000 0.272 520 R C 0.536 176.523 176.300 -0.522 0.000 1.011 520 R CA -0.010 55.845 56.100 -0.408 0.000 0.893 520 R CB 1.210 31.501 30.300 -0.015 0.000 1.233 520 R HN 2.267 nan 8.270 nan 0.000 0.464 521 G N 0.972 109.589 108.800 -0.306 0.000 2.143 521 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.248 521 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.248 521 G C 0.309 175.245 174.900 0.060 0.000 0.991 521 G CA 0.327 45.361 45.100 -0.110 0.000 0.689 521 G HN 0.440 nan 8.290 nan 0.000 0.522 522 F N 0.993 120.975 119.950 0.053 0.000 2.407 522 F HA 0.378 4.905 4.527 -0.000 0.000 0.299 522 F C 2.064 178.106 175.800 0.404 0.000 1.097 522 F CA 1.208 59.283 58.000 0.125 0.000 1.422 522 F CB -0.713 38.134 39.000 -0.256 0.000 1.067 522 F HN 1.177 nan 8.300 nan 0.000 0.539 523 G N -0.255 108.799 108.800 0.423 0.000 2.746 523 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.685 523 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.685 523 G C 0.695 175.848 174.900 0.423 0.000 1.350 523 G CA -0.107 45.203 45.100 0.350 0.000 0.837 523 G HN 0.402 nan 8.290 nan 0.000 0.564 524 S N -1.323 114.526 115.700 0.247 0.000 2.458 524 S HA 0.401 4.871 4.470 -0.000 0.000 0.223 524 S C 1.185 175.874 174.600 0.148 0.000 1.019 524 S CA 1.298 59.629 58.200 0.218 0.000 0.937 524 S CB 0.264 63.533 63.200 0.115 0.000 0.788 524 S HN 1.245 nan 8.310 nan 0.000 0.511 525 S N 1.960 117.658 115.700 -0.002 0.000 2.554 525 S HA 0.368 4.838 4.470 -0.000 0.000 0.278 525 S C -0.188 174.017 174.600 -0.658 0.000 1.242 525 S CA -0.753 57.329 58.200 -0.198 0.000 1.051 525 S CB 0.894 63.999 63.200 -0.158 0.000 0.986 525 S HN 0.327 nan 8.310 nan 0.000 0.502 526 K N 1.551 121.538 120.400 -0.688 0.000 2.524 526 K HA 0.156 4.476 4.320 -0.000 0.000 0.279 526 K C 0.862 176.723 176.600 -1.231 0.000 0.993 526 K CA 0.020 55.637 56.287 -1.117 0.000 1.030 526 K CB 0.239 32.458 32.500 -0.469 0.000 0.891 526 K HN 0.742 nan 8.250 nan 0.000 0.488 527 G N 1.660 109.235 108.800 -2.042 0.000 3.310 527 G HA2 0.322 4.282 3.960 -0.000 0.000 0.176 527 G HA3 0.322 4.282 3.960 -0.000 0.000 0.176 527 G C -0.763 173.823 174.900 -0.524 0.000 1.307 527 G CA -0.214 44.264 45.100 -1.038 0.000 0.935 527 G HN 0.501 nan 8.290 nan 0.000 0.628 528 T N -0.383 114.073 114.554 -0.163 0.000 2.900 528 T HA 0.577 4.927 4.350 -0.000 0.000 0.295 528 T C -1.053 173.623 174.700 -0.040 0.000 1.044 528 T CA -0.252 61.760 62.100 -0.146 0.000 0.995 528 T CB 2.164 70.870 68.868 -0.270 0.000 1.072 528 T HN 0.303 nan 8.240 nan 0.000 0.473 529 V N 2.852 122.669 119.914 -0.161 0.000 2.555 529 V HA 0.525 4.645 4.120 -0.000 0.000 0.302 529 V C -1.410 174.533 176.094 -0.253 0.000 1.038 529 V CA -0.892 61.342 62.300 -0.110 0.000 0.887 529 V CB 1.214 33.021 31.823 -0.028 0.000 0.991 529 V HN 0.818 nan 8.190 nan 0.000 0.434 530 Y N 3.550 123.808 120.300 -0.069 0.000 2.364 530 Y HA 0.640 5.190 4.550 -0.000 0.000 0.340 530 Y C -0.507 175.305 175.900 -0.147 0.000 0.975 530 Y CA -0.983 57.114 58.100 -0.005 0.000 1.089 530 Y CB 1.592 40.059 38.460 0.010 0.000 1.192 530 Y HN 0.505 nan 8.280 nan 0.000 0.454 531 F N 2.486 122.490 119.950 0.089 0.000 2.311 531 F HA 0.553 5.080 4.527 -0.000 0.000 0.371 531 F C 0.947 176.899 175.800 0.253 0.000 1.083 531 F CA -0.411 57.614 58.000 0.041 0.000 1.113 531 F CB 0.845 39.717 39.000 -0.212 0.000 1.349 531 F HN 0.807 nan 8.300 nan 0.000 0.470 532 G N 2.265 111.320 108.800 0.425 0.000 2.556 532 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.283 532 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.283 532 G C 1.159 176.231 174.900 0.287 0.000 1.177 532 G CA 0.471 45.801 45.100 0.383 0.000 0.978 532 G HN 0.768 nan 8.290 nan 0.000 0.554 533 T N -1.843 112.869 114.554 0.264 0.000 3.081 533 T HA 0.343 4.693 4.350 -0.000 0.000 0.255 533 T C 1.201 176.065 174.700 0.273 0.000 1.113 533 T CA 1.654 63.886 62.100 0.221 0.000 1.082 533 T CB -0.135 68.823 68.868 0.150 0.000 0.939 533 T HN 0.811 nan 8.240 nan 0.000 0.506 534 T N 3.236 117.953 114.554 0.272 0.000 2.834 534 T HA 0.577 4.927 4.350 -0.000 0.000 0.298 534 T C 0.182 174.986 174.700 0.173 0.000 0.966 534 T CA -0.326 61.890 62.100 0.193 0.000 1.141 534 T CB 0.714 69.657 68.868 0.126 0.000 0.905 534 T HN 0.540 nan 8.240 nan 0.000 0.535 535 A N 3.527 126.376 122.820 0.048 0.000 2.301 535 A HA 0.683 5.003 4.320 -0.000 0.000 0.312 535 A C -0.398 177.098 177.584 -0.147 0.000 1.182 535 A CA -0.608 51.312 52.037 -0.194 0.000 0.826 535 A CB 0.728 19.600 19.000 -0.213 0.000 1.134 535 A HN 0.674 nan 8.150 nan 0.000 0.501 536 V N 2.525 122.328 119.914 -0.184 0.000 2.531 536 V HA 0.718 4.838 4.120 -0.000 0.000 0.301 536 V C 0.032 176.055 176.094 -0.118 0.000 1.034 536 V CA 0.101 62.343 62.300 -0.097 0.000 0.865 536 V CB 1.438 33.264 31.823 0.005 0.000 0.995 536 V HN 1.290 nan 8.190 nan 0.000 0.424 537 S N 2.760 118.400 115.700 -0.100 0.000 2.656 537 S HA 0.975 5.445 4.470 -0.000 0.000 0.273 537 S C 0.091 174.643 174.600 -0.079 0.000 1.168 537 S CA 0.140 58.278 58.200 -0.103 0.000 0.817 537 S CB 1.687 64.804 63.200 -0.137 0.000 1.146 537 S HN 2.194 nan 8.310 nan 0.000 0.475 538 G N 1.323 110.071 108.800 -0.087 0.000 2.509 538 G HA2 0.088 4.048 3.960 -0.000 0.000 0.259 538 G HA3 0.088 4.048 3.960 -0.000 0.000 0.259 538 G C 1.082 175.955 174.900 -0.045 0.000 1.169 538 G CA 0.947 46.006 45.100 -0.068 0.000 0.953 538 G HN 1.974 nan 8.290 nan 0.000 0.563 539 A N -0.893 121.903 122.820 -0.039 0.000 1.917 539 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 539 A C 1.951 179.521 177.584 -0.022 0.000 1.182 539 A CA 2.839 54.859 52.037 -0.028 0.000 0.633 539 A CB -0.681 18.301 19.000 -0.029 0.000 0.819 539 A HN 0.737 nan 8.150 nan 0.000 0.448 540 D N -0.619 119.763 120.400 -0.030 0.000 2.350 540 D HA 0.020 4.660 4.640 -0.000 0.000 0.216 540 D C 0.365 176.661 176.300 -0.006 0.000 0.968 540 D CA 0.513 54.496 54.000 -0.029 0.000 0.894 540 D CB -0.188 40.581 40.800 -0.052 0.000 0.909 540 D HN 0.474 nan 8.370 nan 0.000 0.520 541 I N 1.210 121.787 120.570 0.012 0.000 2.256 541 I HA 0.007 4.177 4.170 -0.000 0.000 0.294 541 I C 1.259 177.407 176.117 0.051 0.000 1.127 541 I CA -0.127 61.208 61.300 0.058 0.000 1.247 541 I CB 1.005 39.071 38.000 0.111 0.000 1.460 541 I HN -0.154 nan 8.210 nan 0.000 0.511 542 T N 2.851 117.425 114.554 0.034 0.000 2.665 542 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 542 T C 0.808 175.535 174.700 0.045 0.000 1.035 542 T CA 1.525 63.639 62.100 0.025 0.000 1.151 542 T CB -0.074 68.799 68.868 0.009 0.000 0.862 542 T HN 0.713 nan 8.240 nan 0.000 0.438 543 S N -0.903 114.839 115.700 0.070 0.000 2.550 543 S HA 0.573 5.043 4.470 -0.000 0.000 0.270 543 S C -2.210 172.501 174.600 0.185 0.000 1.145 543 S CA -1.112 57.148 58.200 0.102 0.000 0.852 543 S CB 2.433 65.667 63.200 0.055 0.000 1.119 543 S HN 0.429 nan 8.310 nan 0.000 0.465 544 W N 2.908 124.199 121.300 -0.016 0.000 3.405 544 W HA 0.522 5.182 4.660 -0.000 0.000 0.329 544 W C -1.562 174.976 176.519 0.032 0.000 1.142 544 W CA -0.472 56.870 57.345 -0.006 0.000 1.235 544 W CB 1.582 31.026 29.460 -0.028 0.000 1.341 544 W HN 1.165 nan 8.180 nan 0.000 0.481 545 E N 1.683 121.975 120.200 0.154 0.000 2.458 545 E HA 0.237 4.587 4.350 -0.000 0.000 0.278 545 E C -0.302 176.383 176.600 0.142 0.000 1.004 545 E CA -0.595 55.931 56.400 0.210 0.000 0.823 545 E CB 1.783 31.553 29.700 0.116 0.000 1.396 545 E HN 0.164 nan 8.360 nan 0.000 0.463 546 D N -0.016 120.473 120.400 0.148 0.000 2.172 546 D HA -0.194 4.446 4.640 -0.000 0.000 0.196 546 D C 1.594 177.822 176.300 -0.120 0.000 0.999 546 D CA 2.800 56.845 54.000 0.075 0.000 0.856 546 D CB 0.165 40.983 40.800 0.029 0.000 0.934 546 D HN 0.579 nan 8.370 nan 0.000 0.453 547 T N -3.855 110.658 114.554 -0.069 0.000 3.010 547 T HA 0.153 4.503 4.350 -0.000 0.000 0.257 547 T C 0.469 175.189 174.700 0.034 0.000 1.020 547 T CA -0.528 61.480 62.100 -0.153 0.000 0.938 547 T CB 0.444 69.260 68.868 -0.088 0.000 1.049 547 T HN 0.129 nan 8.240 nan 0.000 0.522 548 Q N 0.252 120.119 119.800 0.112 0.000 2.320 548 Q HA 0.641 4.981 4.340 -0.000 0.000 0.272 548 Q C -2.116 173.806 176.000 -0.129 0.000 1.023 548 Q CA -0.856 54.970 55.803 0.038 0.000 0.855 548 Q CB 2.011 30.740 28.738 -0.015 0.000 1.367 548 Q HN 0.454 nan 8.270 nan 0.000 0.406 549 I N 2.963 123.370 120.570 -0.271 0.000 2.545 549 I HA 0.478 4.647 4.170 -0.000 0.000 0.292 549 I C -0.728 175.273 176.117 -0.193 0.000 1.040 549 I CA -1.005 60.068 61.300 -0.377 0.000 1.068 549 I CB 1.908 39.439 38.000 -0.780 0.000 1.251 549 I HN 0.305 nan 8.210 nan 0.000 0.424 550 K N 5.398 125.744 120.400 -0.090 0.000 2.307 550 K HA 0.663 4.983 4.320 -0.000 0.000 0.263 550 K C -1.263 175.327 176.600 -0.018 0.000 0.973 550 K CA -0.566 55.693 56.287 -0.046 0.000 0.846 550 K CB 2.428 34.916 32.500 -0.019 0.000 1.100 550 K HN 0.398 nan 8.250 nan 0.000 0.438 551 V N 2.755 122.659 119.914 -0.017 0.000 2.888 551 V HA 0.379 4.499 4.120 -0.000 0.000 0.309 551 V C -1.089 175.017 176.094 0.020 0.000 1.114 551 V CA -0.955 61.354 62.300 0.016 0.000 0.940 551 V CB 2.033 33.880 31.823 0.040 0.000 1.021 551 V HN 0.645 nan 8.190 nan 0.000 0.426 552 K N 5.846 126.240 120.400 -0.009 0.000 2.249 552 K HA 0.495 4.815 4.320 -0.000 0.000 0.280 552 K C -0.345 176.169 176.600 -0.143 0.000 1.033 552 K CA -0.252 56.005 56.287 -0.050 0.000 0.946 552 K CB 1.174 33.637 32.500 -0.062 0.000 1.005 552 K HN 0.600 nan 8.250 nan 0.000 0.469 553 I N 6.130 126.590 120.570 -0.184 0.000 2.598 553 I HA 0.005 4.175 4.170 -0.000 0.000 0.284 553 I C -1.558 174.259 176.117 -0.499 0.000 1.140 553 I CA -1.581 59.431 61.300 -0.481 0.000 1.420 553 I CB 0.232 38.111 38.000 -0.202 0.000 1.387 553 I HN 0.393 nan 8.210 nan 0.000 0.553 554 P HA 0.055 nan 4.420 nan 0.000 0.274 554 P C -0.552 176.549 177.300 -0.331 0.000 1.237 554 P CA -0.523 62.302 63.100 -0.458 0.000 0.793 554 P CB 0.862 32.270 31.700 -0.487 0.000 0.977 555 A N 2.370 125.070 122.820 -0.200 0.000 3.029 555 A HA 0.306 4.626 4.320 -0.000 0.000 0.251 555 A C 0.847 178.367 177.584 -0.107 0.000 1.749 555 A CA -0.371 51.589 52.037 -0.130 0.000 1.386 555 A CB -1.640 17.310 19.000 -0.083 0.000 1.043 555 A HN 0.423 nan 8.150 nan 0.000 0.638 556 V N -2.287 117.535 119.914 -0.153 0.000 2.997 556 V HA 0.814 4.934 4.120 -0.000 0.000 0.311 556 V C 0.728 176.829 176.094 0.013 0.000 1.066 556 V CA -0.851 61.402 62.300 -0.078 0.000 1.039 556 V CB 0.702 32.415 31.823 -0.184 0.000 1.081 556 V HN 0.826 nan 8.190 nan 0.000 0.467 557 A N 1.707 124.598 122.820 0.118 0.000 2.483 557 A HA 0.549 4.869 4.320 -0.000 0.000 0.238 557 A C 0.994 178.706 177.584 0.213 0.000 1.070 557 A CA 0.326 52.448 52.037 0.140 0.000 0.770 557 A CB -0.600 18.486 19.000 0.144 0.000 1.008 557 A HN 2.027 nan 8.150 nan 0.000 0.497 558 G N -0.084 108.803 108.800 0.144 0.000 2.414 558 G HA2 0.566 4.526 3.960 -0.000 0.000 0.236 558 G HA3 0.566 4.526 3.960 -0.000 0.000 0.236 558 G C 0.446 175.474 174.900 0.212 0.000 1.293 558 G CA 0.603 45.798 45.100 0.159 0.000 0.869 558 G HN 1.958 nan 8.290 nan 0.000 0.556 559 G N 0.515 109.477 108.800 0.269 0.000 2.341 559 G HA2 0.272 4.232 3.960 -0.000 0.000 0.293 559 G HA3 0.272 4.232 3.960 -0.000 0.000 0.293 559 G C -1.331 173.681 174.900 0.186 0.000 1.298 559 G CA -0.890 44.297 45.100 0.145 0.000 0.868 559 G HN 0.818 nan 8.290 nan 0.000 0.540 560 N N -0.551 118.130 118.700 -0.032 0.000 2.426 560 N HA 0.709 5.449 4.740 -0.000 0.000 0.275 560 N C -1.420 174.046 175.510 -0.073 0.000 1.019 560 N CA -0.248 52.830 53.050 0.047 0.000 0.941 560 N CB 0.689 39.174 38.487 -0.003 0.000 1.123 560 N HN 0.437 nan 8.380 nan 0.000 0.486 561 Y N 0.931 121.360 120.300 0.215 0.000 2.499 561 Y HA 0.438 4.988 4.550 -0.000 0.000 0.347 561 Y C -0.107 175.905 175.900 0.188 0.000 0.987 561 Y CA -1.100 57.133 58.100 0.222 0.000 1.044 561 Y CB 1.400 40.054 38.460 0.324 0.000 1.245 561 Y HN 0.425 nan 8.280 nan 0.000 0.461 562 N N 2.410 121.264 118.700 0.257 0.000 2.479 562 N HA 0.332 5.072 4.740 -0.000 0.000 0.285 562 N C -0.932 174.630 175.510 0.086 0.000 1.075 562 N CA -0.278 52.863 53.050 0.152 0.000 0.967 562 N CB 1.165 39.704 38.487 0.087 0.000 1.137 562 N HN 0.408 nan 8.380 nan 0.000 0.472 563 I N 1.303 121.886 120.570 0.022 0.000 2.385 563 I HA 0.369 4.539 4.170 -0.000 0.000 0.294 563 I C 0.498 176.580 176.117 -0.058 0.000 0.988 563 I CA -0.315 60.888 61.300 -0.162 0.000 1.265 563 I CB 0.745 38.570 38.000 -0.292 0.000 1.388 563 I HN 0.397 nan 8.210 nan 0.000 0.480 564 K N 5.058 125.422 120.400 -0.060 0.000 2.551 564 K HA 0.718 5.038 4.320 -0.000 0.000 0.269 564 K C -1.607 175.059 176.600 0.109 0.000 0.949 564 K CA -0.558 55.741 56.287 0.020 0.000 0.849 564 K CB 2.794 35.289 32.500 -0.008 0.000 1.411 564 K HN 0.409 nan 8.250 nan 0.000 0.432 565 V N -1.262 118.714 119.914 0.104 0.000 3.102 565 V HA 1.005 5.125 4.120 -0.000 0.000 0.312 565 V C -1.311 174.951 176.094 0.280 0.000 1.135 565 V CA -0.744 61.660 62.300 0.173 0.000 1.022 565 V CB 1.611 33.363 31.823 -0.119 0.000 1.056 565 V HN 0.909 nan 8.190 nan 0.000 0.436 566 A N 2.099 125.145 122.820 0.377 0.000 2.422 566 A HA 0.816 5.135 4.320 -0.000 0.000 0.302 566 A C -0.341 177.425 177.584 0.302 0.000 1.041 566 A CA -0.605 51.617 52.037 0.309 0.000 0.708 566 A CB 1.207 20.402 19.000 0.325 0.000 1.257 566 A HN 1.406 nan 8.150 nan 0.000 0.414 567 N N 1.522 120.383 118.700 0.269 0.000 2.294 567 N HA 0.359 5.099 4.740 -0.000 0.000 0.248 567 N C 1.205 176.719 175.510 0.005 0.000 1.300 567 N CA 0.204 53.388 53.050 0.224 0.000 0.925 567 N CB 0.241 38.870 38.487 0.236 0.000 1.188 567 N HN 0.719 nan 8.380 nan 0.000 0.512 568 A N -0.769 121.993 122.820 -0.097 0.000 1.978 568 A HA -0.033 4.287 4.320 -0.000 0.000 0.220 568 A C 2.097 179.648 177.584 -0.055 0.000 1.170 568 A CA 2.068 54.020 52.037 -0.141 0.000 0.636 568 A CB -1.471 17.436 19.000 -0.157 0.000 0.810 568 A HN 0.874 nan 8.150 nan 0.000 0.448 569 A N -2.151 120.664 122.820 -0.007 0.000 2.119 569 A HA 0.375 4.695 4.320 -0.000 0.000 0.217 569 A C 1.894 179.491 177.584 0.021 0.000 1.153 569 A CA 1.431 53.473 52.037 0.008 0.000 0.692 569 A CB -0.718 18.296 19.000 0.023 0.000 0.799 569 A HN 1.885 nan 8.150 nan 0.000 0.458 570 G N -2.113 106.710 108.800 0.038 0.000 2.163 570 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.213 570 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.213 570 G C 0.277 175.221 174.900 0.073 0.000 0.991 570 G CA 0.193 45.328 45.100 0.059 0.000 0.653 570 G HN 0.582 nan 8.290 nan 0.000 0.518 571 T N 1.787 116.388 114.554 0.077 0.000 2.814 571 T HA 0.607 4.957 4.350 -0.000 0.000 0.297 571 T C 0.736 175.494 174.700 0.097 0.000 0.956 571 T CA 0.616 62.760 62.100 0.073 0.000 1.123 571 T CB 1.567 70.477 68.868 0.071 0.000 0.902 571 T HN 1.263 nan 8.240 nan 0.000 0.528 572 A N 3.584 126.441 122.820 0.062 0.000 2.340 572 A HA 0.649 4.969 4.320 -0.000 0.000 0.268 572 A C 0.841 178.461 177.584 0.061 0.000 1.100 572 A CA -0.736 51.332 52.037 0.053 0.000 0.803 572 A CB 0.330 19.311 19.000 -0.030 0.000 1.043 572 A HN 0.880 nan 8.150 nan 0.000 0.488 573 S N 1.270 117.017 115.700 0.079 0.000 2.694 573 S HA 0.418 4.888 4.470 -0.000 0.000 0.278 573 S C 0.166 174.795 174.600 0.050 0.000 1.152 573 S CA -0.267 57.985 58.200 0.086 0.000 1.010 573 S CB 0.098 63.384 63.200 0.144 0.000 1.104 573 S HN 0.965 nan 8.310 nan 0.000 0.547 574 N N -0.855 117.880 118.700 0.058 0.000 2.399 574 N HA 0.393 5.133 4.740 -0.000 0.000 0.250 574 N C -0.895 174.657 175.510 0.069 0.000 1.272 574 N CA -0.971 52.110 53.050 0.051 0.000 0.928 574 N CB 0.333 38.857 38.487 0.061 0.000 1.158 574 N HN 0.391 nan 8.380 nan 0.000 0.463 575 V N 0.731 120.679 119.914 0.056 0.000 2.439 575 V HA 0.130 4.250 4.120 -0.000 0.000 0.282 575 V C -0.984 175.173 176.094 0.104 0.000 1.039 575 V CA -0.486 61.851 62.300 0.063 0.000 0.913 575 V CB 0.194 32.032 31.823 0.026 0.000 0.983 575 V HN 0.625 nan 8.190 nan 0.000 0.460 576 Y N 5.587 125.883 120.300 -0.008 0.000 2.417 576 Y HA 0.378 4.928 4.550 -0.000 0.000 0.336 576 Y C 0.451 176.359 175.900 0.013 0.000 0.961 576 Y CA -1.067 57.032 58.100 -0.002 0.000 1.215 576 Y CB 0.628 39.069 38.460 -0.031 0.000 1.120 576 Y HN 0.854 nan 8.280 nan 0.000 0.499 577 D N 2.325 122.696 120.400 -0.048 0.000 2.478 577 D HA 0.128 4.768 4.640 -0.000 0.000 0.269 577 D C 0.047 176.389 176.300 0.071 0.000 1.232 577 D CA -0.438 53.580 54.000 0.029 0.000 1.059 577 D CB 0.707 41.496 40.800 -0.019 0.000 1.104 577 D HN 0.581 nan 8.370 nan 0.000 0.566 578 N N -2.415 116.342 118.700 0.095 0.000 2.776 578 N HA -0.229 4.511 4.740 -0.000 0.000 0.250 578 N C -1.275 174.329 175.510 0.157 0.000 1.112 578 N CA 0.200 53.305 53.050 0.091 0.000 0.733 578 N CB -1.984 36.517 38.487 0.023 0.000 1.097 578 N HN 0.427 nan 8.380 nan 0.000 0.558 579 F N 1.653 121.682 119.950 0.132 0.000 2.438 579 F HA 0.342 4.869 4.527 -0.000 0.000 0.356 579 F C 0.691 176.611 175.800 0.201 0.000 1.099 579 F CA -0.453 57.642 58.000 0.159 0.000 1.185 579 F CB 0.713 39.812 39.000 0.165 0.000 1.115 579 F HN 0.156 nan 8.300 nan 0.000 0.526 580 E N 5.840 125.732 120.200 -0.513 0.000 2.109 580 E HA 0.395 4.745 4.350 -0.000 0.000 0.278 580 E C -1.568 174.862 176.600 -0.284 0.000 0.954 580 E CA -0.743 55.523 56.400 -0.224 0.000 0.779 580 E CB 1.243 30.839 29.700 -0.174 0.000 1.093 580 E HN 0.508 nan 8.360 nan 0.000 0.401 581 V N 6.569 126.558 119.914 0.124 0.000 2.406 581 V HA 0.181 4.301 4.120 -0.000 0.000 0.272 581 V C 0.511 176.649 176.094 0.074 0.000 1.043 581 V CA -0.420 61.967 62.300 0.145 0.000 0.915 581 V CB 0.744 32.667 31.823 0.167 0.000 0.988 581 V HN 0.721 nan 8.190 nan 0.000 0.466 582 L N 3.583 124.815 121.223 0.016 0.000 2.466 582 L HA 0.245 4.585 4.340 -0.000 0.000 0.257 582 L C 1.454 178.337 176.870 0.022 0.000 1.189 582 L CA -0.030 54.814 54.840 0.007 0.000 0.813 582 L CB 0.893 42.942 42.059 -0.016 0.000 1.118 582 L HN 0.628 nan 8.230 nan 0.000 0.471 583 S N 0.061 115.772 115.700 0.018 0.000 2.562 583 S HA 0.262 4.732 4.470 -0.000 0.000 0.221 583 S C 0.473 175.077 174.600 0.007 0.000 0.975 583 S CA 0.492 58.703 58.200 0.018 0.000 0.918 583 S CB 0.122 63.331 63.200 0.016 0.000 0.772 583 S HN 0.936 nan 8.310 nan 0.000 0.531 584 G N 0.618 109.419 108.800 0.002 0.000 2.350 584 G HA2 0.122 4.082 3.960 -0.000 0.000 0.276 584 G HA3 0.122 4.082 3.960 -0.000 0.000 0.276 584 G C -2.241 172.657 174.900 -0.004 0.000 1.313 584 G CA -0.995 44.104 45.100 -0.002 0.000 0.903 584 G HN 0.062 nan 8.290 nan 0.000 0.490 585 D N 0.936 121.334 120.400 -0.004 0.000 2.400 585 D HA 0.333 4.973 4.640 -0.000 0.000 0.238 585 D C 0.133 176.432 176.300 -0.003 0.000 1.157 585 D CA 0.537 54.532 54.000 -0.007 0.000 0.889 585 D CB 0.743 41.540 40.800 -0.005 0.000 1.199 585 D HN 0.281 nan 8.370 nan 0.000 0.436 586 Q N 0.356 120.150 119.800 -0.010 0.000 2.306 586 Q HA 0.548 4.888 4.340 -0.000 0.000 0.265 586 Q C -0.302 175.710 176.000 0.020 0.000 1.022 586 Q CA -0.967 54.838 55.803 0.004 0.000 0.853 586 Q CB 2.294 31.023 28.738 -0.016 0.000 1.327 586 Q HN 0.327 nan 8.270 nan 0.000 0.449 587 V N -1.943 118.005 119.914 0.057 0.000 2.876 587 V HA 0.669 4.789 4.120 -0.000 0.000 0.312 587 V C -0.257 175.918 176.094 0.135 0.000 1.085 587 V CA -0.957 61.399 62.300 0.092 0.000 0.945 587 V CB 2.008 33.891 31.823 0.100 0.000 1.017 587 V HN 0.680 nan 8.190 nan 0.000 0.428 588 S N 2.056 117.867 115.700 0.184 0.000 2.430 588 S HA 0.694 5.164 4.470 -0.000 0.000 0.289 588 S C -0.553 174.184 174.600 0.228 0.000 1.143 588 S CA -0.323 58.026 58.200 0.248 0.000 1.067 588 S CB 0.447 63.902 63.200 0.424 0.000 0.964 588 S HN 0.850 nan 8.310 nan 0.000 0.485 589 V N 6.356 126.398 119.914 0.215 0.000 2.540 589 V HA 0.517 4.637 4.120 -0.000 0.000 0.302 589 V C 0.173 176.330 176.094 0.105 0.000 1.035 589 V CA -0.997 61.363 62.300 0.099 0.000 0.873 589 V CB 1.766 33.587 31.823 -0.003 0.000 0.992 589 V HN 0.851 nan 8.190 nan 0.000 0.428 590 R N 3.396 123.904 120.500 0.013 0.000 2.221 590 R HA 0.498 4.838 4.340 -0.000 0.000 0.327 590 R C -1.531 174.712 176.300 -0.095 0.000 1.033 590 R CA -0.289 55.867 56.100 0.092 0.000 0.887 590 R CB 0.512 30.887 30.300 0.126 0.000 1.057 590 R HN 0.503 nan 8.270 nan 0.000 0.455 591 F N 3.808 123.769 119.950 0.018 0.000 2.420 591 F HA 0.396 4.923 4.527 -0.000 0.000 0.342 591 F C -0.200 175.626 175.800 0.043 0.000 1.113 591 F CA -0.593 57.410 58.000 0.005 0.000 1.059 591 F CB 2.003 41.049 39.000 0.076 0.000 1.128 591 F HN 0.110 nan 8.300 nan 0.000 0.475 592 V N 4.281 124.243 119.914 0.080 0.000 2.577 592 V HA 0.520 4.640 4.120 -0.000 0.000 0.303 592 V C -1.032 174.958 176.094 -0.174 0.000 1.042 592 V CA -0.894 61.322 62.300 -0.140 0.000 0.872 592 V CB 2.000 33.565 31.823 -0.431 0.000 0.998 592 V HN 0.525 nan 8.190 nan 0.000 0.423 593 V N 5.652 125.378 119.914 -0.314 0.000 2.487 593 V HA 0.603 4.723 4.120 -0.000 0.000 0.298 593 V C -0.512 175.495 176.094 -0.144 0.000 1.028 593 V CA -0.457 61.575 62.300 -0.446 0.000 0.860 593 V CB 1.910 33.003 31.823 -1.216 0.000 0.991 593 V HN 0.925 nan 8.190 nan 0.000 0.427 594 N N 4.636 123.305 118.700 -0.051 0.000 2.509 594 N HA 0.276 5.016 4.740 -0.000 0.000 0.287 594 N C 0.131 175.676 175.510 0.057 0.000 1.121 594 N CA -0.168 52.892 53.050 0.017 0.000 0.977 594 N CB 0.934 39.438 38.487 0.027 0.000 1.167 594 N HN 0.863 nan 8.380 nan 0.000 0.476 595 N N 0.031 118.737 118.700 0.011 0.000 2.696 595 N HA -0.244 4.496 4.740 -0.000 0.000 0.256 595 N C -1.460 174.008 175.510 -0.069 0.000 1.031 595 N CA 0.501 53.532 53.050 -0.033 0.000 0.730 595 N CB -0.788 37.712 38.487 0.020 0.000 0.894 595 N HN 0.657 nan 8.380 nan 0.000 0.544 596 A N 1.146 123.889 122.820 -0.129 0.000 2.654 596 A HA 0.508 4.828 4.320 -0.000 0.000 0.345 596 A C 0.649 178.064 177.584 -0.282 0.000 1.368 596 A CA 0.023 51.816 52.037 -0.406 0.000 0.895 596 A CB -0.012 18.725 19.000 -0.439 0.000 1.143 596 A HN 0.566 nan 8.150 nan 0.000 0.490 597 T N 0.438 114.814 114.554 -0.297 0.000 2.913 597 T HA 0.596 4.946 4.350 -0.000 0.000 0.297 597 T C 0.370 175.093 174.700 0.038 0.000 1.029 597 T CA 0.347 62.426 62.100 -0.035 0.000 1.104 597 T CB 0.945 69.811 68.868 -0.004 0.000 0.964 597 T HN 1.012 nan 8.240 nan 0.000 0.532 598 T N -1.268 113.480 114.554 0.323 0.000 2.812 598 T HA 0.775 5.125 4.350 -0.000 0.000 0.294 598 T C -0.526 174.265 174.700 0.152 0.000 1.159 598 T CA -0.878 61.333 62.100 0.185 0.000 1.008 598 T CB 1.372 70.396 68.868 0.260 0.000 1.289 598 T HN 1.096 nan 8.240 nan 0.000 0.514 599 A N 0.894 123.765 122.820 0.084 0.000 2.294 599 A HA 0.760 5.080 4.320 -0.000 0.000 0.330 599 A C 0.136 177.747 177.584 0.046 0.000 1.133 599 A CA -1.043 51.025 52.037 0.050 0.000 0.836 599 A CB 0.339 19.362 19.000 0.038 0.000 1.190 599 A HN 0.954 nan 8.150 nan 0.000 0.492 600 L N 1.253 122.486 121.223 0.017 0.000 2.601 600 L HA 0.251 4.591 4.340 -0.000 0.000 0.277 600 L C 1.541 178.436 176.870 0.042 0.000 1.219 600 L CA 1.665 56.514 54.840 0.015 0.000 0.915 600 L CB 0.014 42.071 42.059 -0.003 0.000 1.160 600 L HN 1.284 nan 8.230 nan 0.000 0.494 601 G N 2.224 111.063 108.800 0.065 0.000 2.234 601 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.235 601 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.235 601 G C 0.152 175.111 174.900 0.098 0.000 0.997 601 G CA 0.105 45.251 45.100 0.076 0.000 0.623 601 G HN 0.588 nan 8.290 nan 0.000 0.514 602 Q N 0.774 120.635 119.800 0.103 0.000 2.241 602 Q HA 0.598 4.938 4.340 -0.000 0.000 0.254 602 Q C -0.675 175.409 176.000 0.141 0.000 0.917 602 Q CA -0.689 55.173 55.803 0.098 0.000 0.919 602 Q CB 0.563 29.336 28.738 0.059 0.000 1.237 602 Q HN 0.371 nan 8.270 nan 0.000 0.434 603 N N 1.811 120.578 118.700 0.111 0.000 2.262 603 N HA 0.365 5.105 4.740 -0.000 0.000 0.295 603 N C -1.338 174.010 175.510 -0.271 0.000 1.161 603 N CA -0.453 52.581 53.050 -0.027 0.000 0.767 603 N CB 2.174 40.714 38.487 0.088 0.000 1.499 603 N HN 0.303 nan 8.380 nan 0.000 0.476 604 V N 2.031 121.373 119.914 -0.954 0.000 2.607 604 V HA 0.363 4.483 4.120 -0.000 0.000 0.289 604 V C -0.791 175.070 176.094 -0.388 0.000 1.053 604 V CA 0.022 61.900 62.300 -0.703 0.000 0.996 604 V CB 0.053 31.100 31.823 -1.295 0.000 0.995 604 V HN 0.515 nan 8.190 nan 0.000 0.476 605 Y N 3.264 123.462 120.300 -0.170 0.000 2.634 605 Y HA 0.724 5.274 4.550 -0.000 0.000 0.340 605 Y C -0.350 175.522 175.900 -0.047 0.000 1.058 605 Y CA -1.205 56.809 58.100 -0.144 0.000 1.081 605 Y CB 1.820 40.169 38.460 -0.186 0.000 1.295 605 Y HN 0.504 nan 8.280 nan 0.000 0.487 606 L N 0.965 122.181 121.223 -0.012 0.000 2.341 606 L HA 0.819 5.159 4.340 -0.000 0.000 0.278 606 L C -0.500 176.215 176.870 -0.260 0.000 1.005 606 L CA 0.014 54.703 54.840 -0.252 0.000 0.818 606 L CB 1.832 43.638 42.059 -0.421 0.000 1.259 606 L HN 0.678 nan 8.230 nan 0.000 0.418 607 T N 2.793 117.179 114.554 -0.280 0.000 2.896 607 T HA 0.946 5.296 4.350 -0.000 0.000 0.297 607 T C -0.571 173.893 174.700 -0.392 0.000 1.108 607 T CA 0.051 62.009 62.100 -0.238 0.000 1.004 607 T CB 1.464 70.276 68.868 -0.093 0.000 1.159 607 T HN 1.084 nan 8.240 nan 0.000 0.499 608 G N 0.374 108.731 108.800 -0.738 0.000 2.548 608 G HA2 0.418 4.378 3.960 -0.000 0.000 0.301 608 G HA3 0.418 4.378 3.960 -0.000 0.000 0.301 608 G C 0.330 174.327 174.900 -1.505 0.000 1.349 608 G CA 0.118 44.489 45.100 -1.215 0.000 0.792 608 G HN 1.039 nan 8.290 nan 0.000 0.481 609 S N -1.379 113.750 115.700 -0.953 0.000 2.701 609 S HA 0.340 4.810 4.470 -0.000 0.000 0.220 609 S C 0.705 175.194 174.600 -0.184 0.000 0.954 609 S CA 0.634 58.578 58.200 -0.428 0.000 0.936 609 S CB -0.943 62.314 63.200 0.095 0.000 0.777 609 S HN 1.776 nan 8.310 nan 0.000 0.518 610 V N -1.986 117.801 119.914 -0.212 0.000 3.040 610 V HA 0.658 4.778 4.120 -0.000 0.000 0.312 610 V C 1.152 177.187 176.094 -0.099 0.000 1.115 610 V CA -0.435 61.809 62.300 -0.094 0.000 0.998 610 V CB 1.111 32.906 31.823 -0.048 0.000 1.042 610 V HN 0.203 nan 8.190 nan 0.000 0.433 611 S N 0.297 115.973 115.700 -0.040 0.000 2.400 611 S HA -0.211 4.259 4.470 -0.000 0.000 0.232 611 S C 1.317 175.892 174.600 -0.041 0.000 1.025 611 S CA 1.751 59.935 58.200 -0.028 0.000 0.993 611 S CB -0.639 62.572 63.200 0.018 0.000 0.808 611 S HN 0.907 nan 8.310 nan 0.000 0.478 612 E N 1.217 121.396 120.200 -0.035 0.000 2.267 612 E HA 0.073 4.423 4.350 -0.000 0.000 0.197 612 E C 1.354 177.914 176.600 -0.066 0.000 0.998 612 E CA 0.819 57.201 56.400 -0.030 0.000 0.830 612 E CB -0.295 29.403 29.700 -0.003 0.000 0.751 612 E HN 0.592 nan 8.360 nan 0.000 0.491 613 L N -1.545 119.606 121.223 -0.119 0.000 2.857 613 L HA 0.323 4.663 4.340 -0.000 0.000 0.249 613 L C 0.996 177.757 176.870 -0.182 0.000 1.172 613 L CA 0.199 54.925 54.840 -0.189 0.000 0.980 613 L CB 0.401 42.291 42.059 -0.282 0.000 1.299 613 L HN 0.290 nan 8.230 nan 0.000 0.535 614 G N 0.198 108.926 108.800 -0.121 0.000 2.157 614 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.248 614 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.248 614 G C 0.416 175.276 174.900 -0.068 0.000 0.979 614 G CA 0.067 45.119 45.100 -0.080 0.000 0.650 614 G HN 0.425 nan 8.290 nan 0.000 0.529 615 N N -0.989 117.623 118.700 -0.147 0.000 2.699 615 N HA -0.238 4.502 4.740 -0.000 0.000 0.256 615 N C 0.944 176.496 175.510 0.069 0.000 0.993 615 N CA 1.912 54.885 53.050 -0.127 0.000 0.759 615 N CB -1.593 36.898 38.487 0.008 0.000 0.906 615 N HN 1.257 nan 8.380 nan 0.000 0.541 616 W N -3.081 118.284 121.300 0.108 0.000 2.589 616 W HA -0.262 4.398 4.660 -0.000 0.000 0.272 616 W C 0.355 177.004 176.519 0.218 0.000 1.060 616 W CA 0.388 57.858 57.345 0.208 0.000 0.533 616 W CB -1.365 28.209 29.460 0.190 0.000 2.084 616 W HN 0.277 nan 8.180 nan 0.000 1.371 617 D N 0.335 120.892 120.400 0.262 0.000 2.380 617 D HA 0.198 4.838 4.640 -0.000 0.000 0.230 617 D C -1.016 175.332 176.300 0.080 0.000 1.154 617 D CA -2.090 52.016 54.000 0.176 0.000 0.859 617 D CB 1.237 42.093 40.800 0.094 0.000 1.045 617 D HN -0.189 nan 8.370 nan 0.000 0.495 618 P HA -0.140 nan 4.420 nan 0.000 0.217 618 P C 0.928 178.148 177.300 -0.134 0.000 1.148 618 P CA 1.303 64.338 63.100 -0.108 0.000 0.828 618 P CB 0.216 31.850 31.700 -0.111 0.000 0.783 619 A N -0.605 122.177 122.820 -0.064 0.000 2.121 619 A HA -0.142 4.177 4.320 -0.000 0.000 0.218 619 A C 1.699 179.246 177.584 -0.060 0.000 1.154 619 A CA 1.393 53.389 52.037 -0.069 0.000 0.679 619 A CB -0.736 18.246 19.000 -0.030 0.000 0.795 619 A HN 0.215 nan 8.150 nan 0.000 0.458 620 K N -0.426 119.946 120.400 -0.047 0.000 2.478 620 K HA 0.422 4.742 4.320 -0.000 0.000 0.205 620 K C 0.227 176.800 176.600 -0.046 0.000 1.033 620 K CA 0.115 56.381 56.287 -0.036 0.000 1.091 620 K CB 0.712 33.198 32.500 -0.023 0.000 0.844 620 K HN 0.370 nan 8.250 nan 0.000 0.507 621 A N 1.388 124.166 122.820 -0.070 0.000 2.425 621 A HA 0.223 4.543 4.320 -0.000 0.000 0.242 621 A C 0.221 177.822 177.584 0.029 0.000 1.077 621 A CA -0.249 51.753 52.037 -0.059 0.000 0.781 621 A CB 0.178 19.111 19.000 -0.112 0.000 1.020 621 A HN 0.143 nan 8.150 nan 0.000 0.494 622 I N 1.621 122.170 120.570 -0.034 0.000 2.416 622 I HA 0.523 4.693 4.170 -0.000 0.000 0.288 622 I C 1.011 176.991 176.117 -0.229 0.000 1.051 622 I CA 1.366 62.612 61.300 -0.090 0.000 1.375 622 I CB -0.362 37.556 38.000 -0.137 0.000 1.407 622 I HN 1.005 nan 8.210 nan 0.000 0.516 623 G N 8.415 116.960 108.800 -0.425 0.000 2.340 623 G HA2 0.083 4.043 3.960 -0.000 0.000 0.282 623 G HA3 0.083 4.043 3.960 -0.000 0.000 0.282 623 G C -3.159 171.398 174.900 -0.571 0.000 1.312 623 G CA -0.862 43.694 45.100 -0.908 0.000 0.942 623 G HN 0.414 nan 8.290 nan 0.000 0.495 624 P HA 0.281 nan 4.420 nan 0.000 0.268 624 P C 0.276 177.116 177.300 -0.766 0.000 1.204 624 P CA 0.177 62.662 63.100 -1.024 0.000 0.768 624 P CB 0.486 31.941 31.700 -0.408 0.000 0.842 625 M N 2.252 121.472 119.600 -0.634 0.000 2.157 625 M HA 0.161 4.641 4.480 -0.000 0.000 0.304 625 M C 0.230 176.586 176.300 0.094 0.000 1.171 625 M CA 0.295 55.380 55.300 -0.359 0.000 1.157 625 M CB -0.017 32.555 32.600 -0.046 0.000 1.403 625 M HN 0.280 nan 8.290 nan 0.000 0.473 626 Y N 0.856 121.177 120.300 0.035 0.000 2.453 626 Y HA 0.304 4.853 4.550 -0.000 0.000 0.326 626 Y C 0.477 176.245 175.900 -0.219 0.000 1.186 626 Y CA -1.511 56.461 58.100 -0.214 0.000 1.200 626 Y CB 0.576 38.659 38.460 -0.628 0.000 1.247 626 Y HN 0.692 nan 8.280 nan 0.000 0.482 627 N N -1.574 117.115 118.700 -0.018 0.000 2.423 627 N HA 0.115 4.855 4.740 -0.000 0.000 0.262 627 N C -0.404 175.084 175.510 -0.036 0.000 1.467 627 N CA -0.148 52.813 53.050 -0.148 0.000 0.847 627 N CB -0.033 37.905 38.487 -0.914 0.000 1.394 627 N HN 0.663 nan 8.380 nan 0.000 0.495 628 Q N -0.486 119.366 119.800 0.088 0.000 2.652 628 Q HA 0.308 4.648 4.340 -0.000 0.000 0.211 628 Q C 1.100 177.102 176.000 0.005 0.000 0.858 628 Q CA 0.474 56.282 55.803 0.008 0.000 0.895 628 Q CB 0.658 29.372 28.738 -0.041 0.000 1.194 628 Q HN 0.101 nan 8.270 nan 0.000 0.645 629 V N 0.447 120.380 119.914 0.032 0.000 2.251 629 V HA -0.141 3.979 4.120 -0.000 0.000 0.237 629 V C 2.137 178.079 176.094 -0.253 0.000 1.040 629 V CA 1.408 63.657 62.300 -0.084 0.000 1.005 629 V CB -0.546 31.244 31.823 -0.055 0.000 0.645 629 V HN 0.127 nan 8.190 nan 0.000 0.458 630 V N -1.719 117.890 119.914 -0.508 0.000 2.427 630 V HA -0.100 4.020 4.120 -0.000 0.000 0.248 630 V C 0.698 176.252 176.094 -0.900 0.000 1.051 630 V CA 1.448 63.258 62.300 -0.818 0.000 1.048 630 V CB -0.672 30.447 31.823 -1.173 0.000 0.666 630 V HN 0.495 nan 8.190 nan 0.000 0.456 631 Y N -1.392 118.540 120.300 -0.614 0.000 2.545 631 Y HA 0.695 5.245 4.550 -0.000 0.000 0.348 631 Y C -0.230 175.619 175.900 -0.085 0.000 1.002 631 Y CA -1.340 56.603 58.100 -0.261 0.000 1.039 631 Y CB 1.622 39.978 38.460 -0.174 0.000 1.271 631 Y HN -0.013 nan 8.280 nan 0.000 0.467 632 Q N 0.722 120.560 119.800 0.063 0.000 2.309 632 Q HA 0.316 4.656 4.340 -0.000 0.000 0.264 632 Q C -1.326 174.665 176.000 -0.015 0.000 1.008 632 Q CA -0.963 54.847 55.803 0.013 0.000 0.853 632 Q CB 1.560 30.290 28.738 -0.013 0.000 1.314 632 Q HN 0.577 nan 8.270 nan 0.000 0.448 633 Y N 4.430 124.597 120.300 -0.222 0.000 2.890 633 Y HA -0.016 4.534 4.550 -0.000 0.000 0.341 633 Y C -1.174 174.664 175.900 -0.104 0.000 1.269 633 Y CA -0.704 57.223 58.100 -0.288 0.000 1.517 633 Y CB 0.671 38.922 38.460 -0.349 0.000 1.314 633 Y HN 0.594 nan 8.280 nan 0.000 0.622 634 P HA -0.027 nan 4.420 nan 0.000 0.252 634 P C -0.968 176.128 177.300 -0.340 0.000 1.265 634 P CA 0.467 62.903 63.100 -1.106 0.000 0.775 634 P CB 0.017 31.248 31.700 -0.782 0.000 1.128 635 N N 0.439 119.030 118.700 -0.182 0.000 2.473 635 N HA 0.234 4.974 4.740 -0.000 0.000 0.291 635 N C -0.609 174.923 175.510 0.036 0.000 1.083 635 N CA 0.024 53.092 53.050 0.029 0.000 0.951 635 N CB 0.617 39.145 38.487 0.069 0.000 1.164 635 N HN 0.033 nan 8.380 nan 0.000 0.480 636 W N 1.317 122.599 121.300 -0.031 0.000 2.864 636 W HA 0.476 5.136 4.660 -0.000 0.000 0.343 636 W C -0.416 176.139 176.519 0.061 0.000 1.109 636 W CA -0.672 56.703 57.345 0.049 0.000 1.192 636 W CB 0.632 30.066 29.460 -0.043 0.000 1.426 636 W HN 0.427 nan 8.180 nan 0.000 0.529 637 Y N -0.279 120.145 120.300 0.207 0.000 2.597 637 Y HA 0.807 5.357 4.550 -0.000 0.000 0.340 637 Y C -2.045 174.031 175.900 0.294 0.000 1.097 637 Y CA -2.580 55.587 58.100 0.113 0.000 1.037 637 Y CB 1.567 39.996 38.460 -0.052 0.000 1.305 637 Y HN 0.482 nan 8.280 nan 0.000 0.463 638 Y N 0.710 121.071 120.300 0.102 0.000 2.521 638 Y HA 0.362 4.912 4.550 -0.000 0.000 0.326 638 Y C -1.873 174.156 175.900 0.216 0.000 1.176 638 Y CA -1.368 56.730 58.100 -0.003 0.000 1.079 638 Y CB 1.795 40.179 38.460 -0.126 0.000 1.341 638 Y HN 0.807 nan 8.280 nan 0.000 0.456 639 D N 3.926 124.263 120.400 -0.104 0.000 2.232 639 D HA 0.568 5.208 4.640 -0.000 0.000 0.242 639 D C -0.955 175.432 176.300 0.145 0.000 1.093 639 D CA 0.042 54.119 54.000 0.128 0.000 0.845 639 D CB 2.035 42.949 40.800 0.190 0.000 1.124 639 D HN 0.221 nan 8.370 nan 0.000 0.467 640 V N 1.053 121.141 119.914 0.290 0.000 2.709 640 V HA 0.283 4.403 4.120 -0.000 0.000 0.308 640 V C 0.231 176.467 176.094 0.238 0.000 1.062 640 V CA -0.948 61.511 62.300 0.265 0.000 0.901 640 V CB 2.103 34.062 31.823 0.227 0.000 1.003 640 V HN 0.481 nan 8.190 nan 0.000 0.425 641 S N 3.396 119.195 115.700 0.164 0.000 2.448 641 S HA 0.588 5.058 4.470 -0.000 0.000 0.279 641 S C -0.413 174.255 174.600 0.114 0.000 1.195 641 S CA -0.373 57.897 58.200 0.117 0.000 1.051 641 S CB 0.249 63.482 63.200 0.055 0.000 0.948 641 S HN 1.079 nan 8.310 nan 0.000 0.493 642 V N 3.246 123.242 119.914 0.138 0.000 3.040 642 V HA 0.812 4.932 4.120 -0.000 0.000 0.312 642 V C -2.813 173.331 176.094 0.083 0.000 1.115 642 V CA -2.864 59.515 62.300 0.132 0.000 0.998 642 V CB 1.787 33.761 31.823 0.252 0.000 1.042 642 V HN 0.657 nan 8.190 nan 0.000 0.433 643 P HA 0.223 nan 4.420 nan 0.000 0.267 643 P C 0.038 177.345 177.300 0.011 0.000 1.209 643 P CA 0.520 63.632 63.100 0.020 0.000 0.763 643 P CB 0.829 32.533 31.700 0.006 0.000 0.816 644 A N 3.726 126.554 122.820 0.013 0.000 2.540 644 A HA 0.389 4.709 4.320 -0.000 0.000 0.239 644 A C 1.620 179.196 177.584 -0.013 0.000 1.061 644 A CA 0.652 52.695 52.037 0.010 0.000 0.758 644 A CB -1.260 17.748 19.000 0.014 0.000 0.991 644 A HN 0.858 nan 8.150 nan 0.000 0.502 645 G N 1.087 109.873 108.800 -0.024 0.000 2.180 645 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.263 645 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.263 645 G C 0.305 175.164 174.900 -0.068 0.000 0.989 645 G CA 1.128 46.205 45.100 -0.040 0.000 0.692 645 G HN 0.989 nan 8.290 nan 0.000 0.526 646 K N 0.479 120.820 120.400 -0.098 0.000 2.130 646 K HA 0.522 4.842 4.320 -0.000 0.000 0.268 646 K C 0.059 176.536 176.600 -0.204 0.000 0.983 646 K CA -0.330 55.892 56.287 -0.109 0.000 0.893 646 K CB 0.646 33.101 32.500 -0.074 0.000 1.066 646 K HN 0.021 nan 8.250 nan 0.000 0.450 647 T N 4.637 119.107 114.554 -0.140 0.000 2.749 647 T HA 0.349 4.699 4.350 -0.000 0.000 0.295 647 T C -0.137 174.503 174.700 -0.101 0.000 0.936 647 T CA -0.183 61.827 62.100 -0.150 0.000 1.060 647 T CB -0.015 68.824 68.868 -0.048 0.000 0.904 647 T HN 0.374 nan 8.240 nan 0.000 0.500 648 I N 2.950 123.438 120.570 -0.137 0.000 2.498 648 I HA 0.363 4.533 4.170 -0.000 0.000 0.290 648 I C 0.199 176.539 176.117 0.372 0.000 1.032 648 I CA -0.889 60.457 61.300 0.078 0.000 1.073 648 I CB 2.255 40.303 38.000 0.080 0.000 1.251 648 I HN 0.483 nan 8.210 nan 0.000 0.426 649 E N 5.779 126.196 120.200 0.361 0.000 2.204 649 E HA 0.631 4.981 4.350 -0.000 0.000 0.276 649 E C -1.370 175.539 176.600 0.515 0.000 0.974 649 E CA -0.534 56.151 56.400 0.474 0.000 0.815 649 E CB 2.178 32.146 29.700 0.447 0.000 1.119 649 E HN 0.418 nan 8.360 nan 0.000 0.393 650 F N -0.677 119.468 119.950 0.325 0.000 2.686 650 F HA 0.677 5.204 4.527 -0.000 0.000 0.311 650 F C -1.115 174.859 175.800 0.291 0.000 1.128 650 F CA -1.151 56.931 58.000 0.137 0.000 0.946 650 F CB 1.423 40.397 39.000 -0.043 0.000 1.336 650 F HN 0.138 nan 8.300 nan 0.000 0.457 651 K N 0.684 121.221 120.400 0.227 0.000 2.536 651 K HA 0.605 4.925 4.320 -0.000 0.000 0.269 651 K C -2.045 174.464 176.600 -0.151 0.000 0.965 651 K CA -0.747 55.622 56.287 0.137 0.000 0.860 651 K CB 2.795 35.521 32.500 0.377 0.000 1.423 651 K HN 0.559 nan 8.250 nan 0.000 0.438 652 F N 1.395 121.433 119.950 0.148 0.000 2.440 652 F HA 0.556 5.083 4.527 -0.000 0.000 0.328 652 F C 0.082 175.949 175.800 0.111 0.000 1.070 652 F CA -0.697 57.390 58.000 0.146 0.000 1.011 652 F CB 0.968 40.137 39.000 0.282 0.000 1.226 652 F HN 0.064 nan 8.300 nan 0.000 0.491 653 L N 1.140 122.545 121.223 0.302 0.000 2.350 653 L HA 0.580 4.920 4.340 -0.000 0.000 0.260 653 L C -1.034 175.945 176.870 0.183 0.000 1.015 653 L CA -1.122 53.791 54.840 0.122 0.000 0.821 653 L CB 2.376 44.270 42.059 -0.275 0.000 1.370 653 L HN 0.456 nan 8.230 nan 0.000 0.416 654 K N 1.983 122.441 120.400 0.097 0.000 2.394 654 K HA 0.547 4.867 4.320 -0.000 0.000 0.260 654 K C -1.250 175.326 176.600 -0.039 0.000 0.967 654 K CA -0.683 55.579 56.287 -0.041 0.000 0.855 654 K CB 2.017 34.436 32.500 -0.135 0.000 1.101 654 K HN 0.421 nan 8.250 nan 0.000 0.433 655 K N 2.033 122.421 120.400 -0.021 0.000 2.316 655 K HA 0.288 4.608 4.320 -0.000 0.000 0.251 655 K C -1.066 175.529 176.600 -0.007 0.000 0.934 655 K CA -0.837 55.386 56.287 -0.106 0.000 0.802 655 K CB 2.421 34.661 32.500 -0.434 0.000 1.171 655 K HN 0.397 nan 8.250 nan 0.000 0.426 656 Q N 1.454 121.239 119.800 -0.025 0.000 2.294 656 Q HA 0.371 4.711 4.340 -0.000 0.000 0.264 656 Q C -0.002 175.992 176.000 -0.010 0.000 0.992 656 Q CA -0.031 55.780 55.803 0.013 0.000 0.747 656 Q CB 1.415 30.167 28.738 0.022 0.000 1.262 656 Q HN 0.841 nan 8.270 nan 0.000 0.452 657 G N 2.129 110.927 108.800 -0.003 0.000 2.574 657 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.286 657 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.286 657 G C 0.470 175.334 174.900 -0.060 0.000 1.212 657 G CA 0.367 45.458 45.100 -0.015 0.000 0.979 657 G HN 1.131 nan 8.290 nan 0.000 0.557 658 S N -0.836 114.834 115.700 -0.049 0.000 2.577 658 S HA 0.417 4.887 4.470 -0.000 0.000 0.219 658 S C 0.800 175.366 174.600 -0.057 0.000 0.962 658 S CA 1.155 59.315 58.200 -0.068 0.000 0.921 658 S CB 0.299 63.475 63.200 -0.040 0.000 0.789 658 S HN 0.919 nan 8.310 nan 0.000 0.497 659 T N 2.577 117.105 114.554 -0.042 0.000 2.832 659 T HA 0.494 4.844 4.350 -0.000 0.000 0.296 659 T C -0.532 174.141 174.700 -0.045 0.000 0.968 659 T CA -0.197 61.891 62.100 -0.019 0.000 1.107 659 T CB 1.391 70.259 68.868 0.001 0.000 0.916 659 T HN 0.247 nan 8.240 nan 0.000 0.517 660 V N 3.919 123.819 119.914 -0.022 0.000 2.656 660 V HA 0.669 4.789 4.120 -0.000 0.000 0.307 660 V C -0.594 175.518 176.094 0.031 0.000 1.051 660 V CA -0.407 61.853 62.300 -0.067 0.000 0.893 660 V CB 2.499 34.216 31.823 -0.176 0.000 0.999 660 V HN 0.920 nan 8.190 nan 0.000 0.426 661 T N 6.533 121.105 114.554 0.031 0.000 2.786 661 T HA 0.479 4.829 4.350 -0.000 0.000 0.283 661 T C -1.007 173.827 174.700 0.223 0.000 0.992 661 T CA 0.013 62.220 62.100 0.177 0.000 0.954 661 T CB 0.731 69.710 68.868 0.186 0.000 0.934 661 T HN 0.680 nan 8.240 nan 0.000 0.440 662 W N 1.886 123.277 121.300 0.152 0.000 2.313 662 W HA 0.390 5.050 4.660 -0.000 0.000 0.328 662 W C 0.945 177.460 176.519 -0.007 0.000 1.197 662 W CA -0.822 56.576 57.345 0.089 0.000 1.235 662 W CB 0.437 29.899 29.460 0.004 0.000 1.158 662 W HN 0.584 nan 8.180 nan 0.000 0.578 663 E N 0.706 120.886 120.200 -0.034 0.000 2.415 663 E HA 0.224 4.574 4.350 -0.000 0.000 0.262 663 E C 0.626 177.113 176.600 -0.189 0.000 1.038 663 E CA 0.078 56.136 56.400 -0.570 0.000 0.921 663 E CB 0.667 29.991 29.700 -0.625 0.000 0.950 663 E HN 0.636 nan 8.360 nan 0.000 0.438 664 G N 0.806 109.471 108.800 -0.225 0.000 2.532 664 G HA2 0.535 4.495 3.960 -0.000 0.000 0.291 664 G HA3 0.535 4.495 3.960 -0.000 0.000 0.291 664 G C 0.225 175.022 174.900 -0.171 0.000 1.349 664 G CA 0.020 45.047 45.100 -0.122 0.000 1.038 664 G HN 0.814 nan 8.290 nan 0.000 0.518 665 G N -1.168 107.549 108.800 -0.139 0.000 2.645 665 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.246 665 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.246 665 G C 0.322 175.110 174.900 -0.188 0.000 1.322 665 G CA 0.128 45.135 45.100 -0.155 0.000 0.898 665 G HN 1.352 nan 8.290 nan 0.000 0.573 666 S N 0.789 116.372 115.700 -0.196 0.000 2.632 666 S HA 0.488 4.958 4.470 -0.000 0.000 0.267 666 S C 0.661 175.103 174.600 -0.263 0.000 1.276 666 S CA -0.655 57.428 58.200 -0.195 0.000 0.998 666 S CB 0.732 63.845 63.200 -0.144 0.000 0.953 666 S HN 0.700 nan 8.310 nan 0.000 0.547 667 N N 2.023 120.609 118.700 -0.191 0.000 2.441 667 N HA 0.065 4.805 4.740 -0.000 0.000 0.251 667 N C -0.057 175.305 175.510 -0.245 0.000 1.242 667 N CA 0.285 53.245 53.050 -0.150 0.000 0.898 667 N CB 0.114 38.645 38.487 0.074 0.000 1.100 667 N HN 0.549 nan 8.380 nan 0.000 0.443 668 H N -0.101 118.776 119.070 -0.321 0.000 2.603 668 H HA 0.269 4.825 4.556 -0.000 0.000 0.370 668 H C 0.261 175.433 175.328 -0.260 0.000 1.225 668 H CA 0.377 56.137 56.048 -0.480 0.000 1.410 668 H CB 1.190 30.231 29.762 -1.202 0.000 1.495 668 H HN 0.372 nan 8.280 nan 0.000 0.602 669 T N 1.263 115.947 114.554 0.218 0.000 2.894 669 T HA 0.510 4.860 4.350 -0.000 0.000 0.309 669 T C -1.665 173.429 174.700 0.656 0.000 1.208 669 T CA -0.655 61.719 62.100 0.456 0.000 1.016 669 T CB 0.800 69.818 68.868 0.251 0.000 1.192 669 T HN 0.513 nan 8.240 nan 0.000 0.491 670 F N -0.186 119.975 119.950 0.352 0.000 2.807 670 F HA 0.722 5.249 4.527 -0.000 0.000 0.316 670 F C -1.634 174.254 175.800 0.145 0.000 1.162 670 F CA -0.876 57.259 58.000 0.225 0.000 0.910 670 F CB 0.990 40.114 39.000 0.207 0.000 1.314 670 F HN 0.453 nan 8.300 nan 0.000 0.454 671 T N 2.440 116.807 114.554 -0.313 0.000 2.809 671 T HA 0.765 5.115 4.350 -0.000 0.000 0.284 671 T C -0.090 174.365 174.700 -0.409 0.000 0.992 671 T CA -0.152 61.684 62.100 -0.440 0.000 0.957 671 T CB 1.121 69.909 68.868 -0.135 0.000 0.942 671 T HN 0.959 nan 8.240 nan 0.000 0.439 672 A N 5.893 128.378 122.820 -0.559 0.000 2.483 672 A HA 0.509 4.828 4.320 -0.000 0.000 0.238 672 A C -1.910 175.667 177.584 -0.011 0.000 1.070 672 A CA -1.022 50.941 52.037 -0.124 0.000 0.770 672 A CB -0.303 18.655 19.000 -0.071 0.000 1.008 672 A HN 0.537 nan 8.150 nan 0.000 0.497 673 P HA 0.071 nan 4.420 nan 0.000 0.272 673 P C 0.710 178.032 177.300 0.036 0.000 1.230 673 P CA 0.275 63.407 63.100 0.053 0.000 0.788 673 P CB 0.953 32.698 31.700 0.075 0.000 0.949 674 S N 0.284 116.001 115.700 0.028 0.000 2.436 674 S HA 0.027 4.497 4.470 -0.000 0.000 0.228 674 S C 0.862 175.480 174.600 0.029 0.000 1.014 674 S CA 0.649 58.862 58.200 0.021 0.000 0.950 674 S CB -0.625 62.585 63.200 0.016 0.000 0.784 674 S HN 0.772 nan 8.310 nan 0.000 0.504 675 S N -1.289 114.435 115.700 0.041 0.000 2.588 675 S HA 0.691 5.161 4.470 -0.000 0.000 0.269 675 S C 0.155 174.795 174.600 0.068 0.000 1.157 675 S CA -0.352 57.877 58.200 0.049 0.000 0.824 675 S CB 0.898 64.121 63.200 0.038 0.000 1.126 675 S HN 1.736 nan 8.310 nan 0.000 0.464 676 G N 0.950 109.803 108.800 0.088 0.000 2.645 676 G HA2 0.178 4.138 3.960 -0.000 0.000 0.239 676 G HA3 0.178 4.138 3.960 -0.000 0.000 0.239 676 G C 0.021 174.995 174.900 0.124 0.000 1.331 676 G CA 0.422 45.586 45.100 0.107 0.000 0.890 676 G HN 2.285 nan 8.290 nan 0.000 0.572 677 T N -2.443 112.182 114.554 0.118 0.000 2.919 677 T HA 1.034 5.384 4.350 -0.000 0.000 0.282 677 T C 0.161 174.913 174.700 0.087 0.000 1.020 677 T CA 0.519 62.693 62.100 0.124 0.000 0.994 677 T CB 1.847 70.798 68.868 0.138 0.000 1.180 677 T HN 2.662 nan 8.240 nan 0.000 0.566 678 A N -0.028 122.834 122.820 0.069 0.000 2.608 678 A HA 0.684 5.004 4.320 -0.000 0.000 0.292 678 A C -0.759 176.804 177.584 -0.035 0.000 1.066 678 A CA -0.927 51.127 52.037 0.029 0.000 0.676 678 A CB 1.247 20.278 19.000 0.051 0.000 1.277 678 A HN 0.892 nan 8.150 nan 0.000 0.413 679 T N 2.229 116.745 114.554 -0.062 0.000 2.840 679 T HA 0.539 4.889 4.350 -0.000 0.000 0.287 679 T C -0.715 173.874 174.700 -0.185 0.000 0.991 679 T CA -0.254 61.779 62.100 -0.113 0.000 0.964 679 T CB 0.633 69.490 68.868 -0.018 0.000 0.954 679 T HN 0.447 nan 8.240 nan 0.000 0.438 680 I N 3.735 124.081 120.570 -0.373 0.000 2.330 680 I HA 0.386 4.556 4.170 -0.000 0.000 0.289 680 I C 0.257 176.261 176.117 -0.188 0.000 1.001 680 I CA -0.708 60.369 61.300 -0.371 0.000 1.193 680 I CB 0.908 38.386 38.000 -0.869 0.000 1.345 680 I HN 0.645 nan 8.210 nan 0.000 0.461 681 N N 5.912 124.571 118.700 -0.067 0.000 2.443 681 N HA 0.651 5.391 4.740 -0.000 0.000 0.269 681 N C -0.834 174.687 175.510 0.018 0.000 0.985 681 N CA -0.475 52.553 53.050 -0.035 0.000 0.921 681 N CB 1.861 40.330 38.487 -0.030 0.000 1.195 681 N HN 0.475 nan 8.380 nan 0.000 0.492 682 V N 0.740 120.662 119.914 0.013 0.000 3.167 682 V HA 0.657 4.777 4.120 -0.000 0.000 0.310 682 V C -1.007 175.087 176.094 0.000 0.000 1.207 682 V CA -1.076 61.229 62.300 0.010 0.000 1.059 682 V CB 2.006 33.753 31.823 -0.127 0.000 1.079 682 V HN 0.547 nan 8.190 nan 0.000 0.446 683 N N 1.437 120.182 118.700 0.076 0.000 2.443 683 N HA 0.259 4.999 4.740 -0.000 0.000 0.295 683 N C -0.784 174.851 175.510 0.208 0.000 1.076 683 N CA -0.304 52.820 53.050 0.122 0.000 0.919 683 N CB 1.898 40.464 38.487 0.132 0.000 1.176 683 N HN 1.023 nan 8.380 nan 0.000 0.487 684 W N 2.481 123.804 121.300 0.038 0.000 2.322 684 W HA 0.035 4.695 4.660 -0.000 0.000 0.328 684 W C -0.791 175.809 176.519 0.136 0.000 1.395 684 W CA 0.118 57.521 57.345 0.096 0.000 1.267 684 W CB 0.278 29.746 29.460 0.013 0.000 1.259 684 W HN 0.422 nan 8.180 nan 0.000 0.560 685 Q N 8.672 128.221 119.800 -0.419 0.000 2.331 685 Q HA 0.225 4.565 4.340 -0.000 0.000 0.257 685 Q C -1.701 174.074 176.000 -0.375 0.000 0.957 685 Q CA -1.777 53.861 55.803 -0.275 0.000 0.923 685 Q CB 1.518 30.113 28.738 -0.238 0.000 1.212 685 Q HN 0.253 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 63.212 63.100 0.187 0.000 0.800 686 P CB 0.000 31.830 31.700 0.216 0.000 0.726