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 1kck_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GTcTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG VTAIWISQPV ENIYSIINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTIADFQN LIAAAHAKNI KVIIDFAPNH TSPASSDQPS DATA SEQUENCE FAENGRLYDN GTLLGGYTND TQNLFHHNGG TDFSTTENGI YKGLYDLADL 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 IQKLAPLRKC 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 0.000 177.565 177.584 -0.032 0.000 1.274 1 A CA 0.000 52.019 52.037 -0.030 0.000 0.836 1 A CB 0.000 18.971 19.000 -0.049 0.000 0.831 2 P HA 0.177 nan 4.420 nan 0.000 0.272 2 P C -0.023 177.247 177.300 -0.049 0.000 1.240 2 P CA 0.259 63.339 63.100 -0.034 0.000 0.791 2 P CB 0.601 32.279 31.700 -0.037 0.000 0.978 3 D N -0.093 120.287 120.400 -0.033 0.000 2.263 3 D HA -0.141 4.499 4.640 -0.000 0.000 0.208 3 D C 1.124 177.371 176.300 -0.087 0.000 0.971 3 D CA 1.770 55.748 54.000 -0.038 0.000 0.867 3 D CB -1.164 39.653 40.800 0.028 0.000 0.929 3 D HN 0.458 nan 8.370 nan 0.000 0.492 4 T N -2.753 111.743 114.554 -0.096 0.000 3.107 4 T HA 0.099 4.449 4.350 -0.000 0.000 0.249 4 T C 0.934 175.541 174.700 -0.154 0.000 1.096 4 T CA -0.305 61.710 62.100 -0.142 0.000 1.012 4 T CB -0.077 68.714 68.868 -0.129 0.000 0.977 4 T HN 0.080 nan 8.240 nan 0.000 0.527 5 S N 0.333 115.952 115.700 -0.136 0.000 2.579 5 S HA 0.202 4.672 4.470 -0.000 0.000 0.275 5 S C 1.417 175.904 174.600 -0.188 0.000 1.345 5 S CA -0.419 57.698 58.200 -0.139 0.000 1.031 5 S CB 1.176 64.309 63.200 -0.111 0.000 0.892 5 S HN 0.230 nan 8.310 nan 0.000 0.529 6 V N 4.211 124.012 119.914 -0.188 0.000 2.913 6 V HA -0.058 4.062 4.120 -0.000 0.000 0.260 6 V C 2.071 177.996 176.094 -0.282 0.000 1.098 6 V CA 2.368 64.524 62.300 -0.239 0.000 1.121 6 V CB -0.772 30.928 31.823 -0.205 0.000 0.714 6 V HN 1.002 nan 8.190 nan 0.000 0.487 7 S N -0.233 115.333 115.700 -0.223 0.000 2.561 7 S HA 0.023 4.492 4.470 -0.000 0.000 0.225 7 S C 1.085 175.591 174.600 -0.157 0.000 0.977 7 S CA 0.263 58.343 58.200 -0.199 0.000 0.926 7 S CB -0.614 62.503 63.200 -0.139 0.000 0.769 7 S HN 0.598 nan 8.310 nan 0.000 0.533 8 N N 2.379 120.971 118.700 -0.179 0.000 2.508 8 N HA 0.202 4.942 4.740 -0.000 0.000 0.253 8 N C 0.336 175.757 175.510 -0.147 0.000 1.145 8 N CA 0.003 52.963 53.050 -0.150 0.000 0.973 8 N CB 0.417 38.797 38.487 -0.178 0.000 1.305 8 N HN 0.424 nan 8.380 nan 0.000 0.506 9 K N 1.610 121.997 120.400 -0.022 0.000 2.432 9 K HA -0.018 4.302 4.320 -0.000 0.000 0.196 9 K C 0.673 177.448 176.600 0.292 0.000 1.038 9 K CA 0.708 57.081 56.287 0.143 0.000 0.986 9 K CB 0.460 33.047 32.500 0.145 0.000 0.782 9 K HN 0.391 nan 8.250 nan 0.000 0.485 10 Q N 0.067 119.975 119.800 0.181 0.000 2.356 10 Q HA 0.091 4.431 4.340 -0.000 0.000 0.205 10 Q C -0.277 175.869 176.000 0.244 0.000 0.901 10 Q CA 0.236 56.200 55.803 0.267 0.000 0.938 10 Q CB 0.467 29.324 28.738 0.198 0.000 1.081 10 Q HN 0.043 nan 8.270 nan 0.000 0.517 11 N N -0.586 118.113 118.700 -0.002 0.000 2.430 11 N HA 0.203 4.943 4.740 -0.000 0.000 0.290 11 N C -1.372 173.891 175.510 -0.411 0.000 1.063 11 N CA -0.314 52.524 53.050 -0.354 0.000 0.883 11 N CB 0.591 38.807 38.487 -0.452 0.000 1.465 11 N HN -0.100 nan 8.380 nan 0.000 0.493 12 F N 1.010 120.488 119.950 -0.787 0.000 2.688 12 F HA 0.288 4.815 4.527 -0.000 0.000 0.310 12 F C 1.830 177.317 175.800 -0.521 0.000 1.098 12 F CA -0.109 57.484 58.000 -0.678 0.000 1.228 12 F CB 0.506 38.928 39.000 -0.963 0.000 1.042 12 F HN 0.412 nan 8.300 nan 0.000 0.557 13 S N -0.640 114.854 115.700 -0.344 0.000 2.447 13 S HA -0.141 4.329 4.470 -0.000 0.000 0.233 13 S C 2.124 176.512 174.600 -0.352 0.000 1.006 13 S CA 1.735 59.763 58.200 -0.286 0.000 0.957 13 S CB -0.437 62.650 63.200 -0.190 0.000 0.773 13 S HN 0.523 nan 8.310 nan 0.000 0.507 14 T N -0.808 113.521 114.554 -0.375 0.000 3.086 14 T HA 0.164 4.514 4.350 -0.000 0.000 0.250 14 T C 0.079 174.614 174.700 -0.275 0.000 1.074 14 T CA -0.298 61.587 62.100 -0.360 0.000 0.988 14 T CB 0.056 68.714 68.868 -0.350 0.000 0.988 14 T HN 0.042 nan 8.240 nan 0.000 0.530 15 D N 0.899 121.145 120.400 -0.256 0.000 2.385 15 D HA 0.544 5.184 4.640 -0.000 0.000 0.254 15 D C -0.818 175.416 176.300 -0.109 0.000 1.053 15 D CA -0.476 53.410 54.000 -0.189 0.000 0.992 15 D CB 2.415 43.083 40.800 -0.219 0.000 1.145 15 D HN 0.026 nan 8.370 nan 0.000 0.523 16 V N 1.747 121.628 119.914 -0.056 0.000 2.482 16 V HA 0.312 4.432 4.120 -0.000 0.000 0.295 16 V C 0.164 176.303 176.094 0.075 0.000 1.026 16 V CA -0.679 61.614 62.300 -0.012 0.000 0.856 16 V CB 1.452 33.249 31.823 -0.043 0.000 1.001 16 V HN 0.356 nan 8.190 nan 0.000 0.424 17 I N 4.507 125.158 120.570 0.136 0.000 2.428 17 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 17 I C -0.806 175.481 176.117 0.284 0.000 1.019 17 I CA -0.454 60.992 61.300 0.243 0.000 1.351 17 I CB 0.873 39.046 38.000 0.288 0.000 1.412 17 I HN 0.596 nan 8.210 nan 0.000 0.513 18 Y N 6.072 126.459 120.300 0.145 0.000 2.388 18 Y HA 0.229 4.779 4.550 -0.000 0.000 0.328 18 Y C 0.002 175.955 175.900 0.088 0.000 0.963 18 Y CA -0.577 57.579 58.100 0.093 0.000 1.240 18 Y CB 0.922 39.399 38.460 0.028 0.000 1.118 18 Y HN 0.495 nan 8.280 nan 0.000 0.484 19 Q N 6.891 126.567 119.800 -0.207 0.000 2.296 19 Q HA 0.384 4.724 4.340 -0.000 0.000 0.263 19 Q C -1.175 174.561 176.000 -0.441 0.000 1.026 19 Q CA -0.077 55.506 55.803 -0.366 0.000 0.912 19 Q CB 0.442 28.875 28.738 -0.508 0.000 1.198 19 Q HN 0.761 nan 8.270 nan 0.000 0.407 20 I N 3.896 124.214 120.570 -0.419 0.000 2.378 20 I HA 0.212 4.382 4.170 -0.000 0.000 0.291 20 I C -0.637 175.239 176.117 -0.401 0.000 0.992 20 I CA -0.763 60.254 61.300 -0.472 0.000 1.154 20 I CB 1.063 38.763 38.000 -0.501 0.000 1.315 20 I HN 0.567 nan 8.210 nan 0.000 0.448 21 F N 5.524 125.055 119.950 -0.698 0.000 2.406 21 F HA 0.161 4.688 4.527 -0.000 0.000 0.358 21 F C 1.698 177.284 175.800 -0.357 0.000 1.161 21 F CA -0.016 57.712 58.000 -0.454 0.000 1.185 21 F CB 0.404 39.185 39.000 -0.365 0.000 1.421 21 F HN 0.571 nan 8.300 nan 0.000 0.576 22 T N 1.373 115.732 114.554 -0.325 0.000 2.635 22 T HA -0.386 3.964 4.350 -0.000 0.000 0.265 22 T C 1.694 176.370 174.700 -0.041 0.000 1.058 22 T CA 2.345 64.298 62.100 -0.246 0.000 1.162 22 T CB -0.316 68.150 68.868 -0.671 0.000 0.859 22 T HN 0.612 nan 8.240 nan 0.000 0.449 23 D N 0.284 120.705 120.400 0.035 0.000 2.218 23 D HA -0.088 4.552 4.640 -0.000 0.000 0.204 23 D C 1.805 178.214 176.300 0.181 0.000 0.976 23 D CA 0.730 54.856 54.000 0.210 0.000 0.853 23 D CB 0.114 41.093 40.800 0.298 0.000 0.939 23 D HN 0.115 nan 8.370 nan 0.000 0.481 24 R N -0.541 120.052 120.500 0.156 0.000 2.466 24 R HA 0.133 4.473 4.340 -0.000 0.000 0.279 24 R C 0.531 176.895 176.300 0.108 0.000 0.976 24 R CA -0.169 55.999 56.100 0.113 0.000 1.081 24 R CB -0.387 29.994 30.300 0.135 0.000 1.215 24 R HN 0.280 nan 8.270 nan 0.000 0.546 25 F N -0.004 119.919 119.950 -0.045 0.000 2.387 25 F HA 0.316 4.843 4.527 -0.000 0.000 0.278 25 F C 0.235 176.153 175.800 0.197 0.000 1.010 25 F CA 0.111 58.139 58.000 0.047 0.000 1.236 25 F CB 0.462 39.472 39.000 0.016 0.000 1.137 25 F HN -0.167 nan 8.300 nan 0.000 0.604 26 S N 0.085 115.868 115.700 0.139 0.000 2.584 26 S HA 0.203 4.673 4.470 -0.000 0.000 0.280 26 S C -1.904 172.764 174.600 0.113 0.000 1.162 26 S CA -0.808 57.423 58.200 0.052 0.000 0.951 26 S CB 0.721 63.862 63.200 -0.098 0.000 1.108 26 S HN 0.210 nan 8.310 nan 0.000 0.464 27 D N 3.603 124.063 120.400 0.100 0.000 2.453 27 D HA 0.384 5.024 4.640 -0.000 0.000 0.223 27 D C 1.190 177.537 176.300 0.079 0.000 1.183 27 D CA 0.089 54.154 54.000 0.107 0.000 0.933 27 D CB 0.671 41.546 40.800 0.124 0.000 1.038 27 D HN 0.728 nan 8.370 nan 0.000 0.513 28 G N 3.153 112.002 108.800 0.081 0.000 2.777 28 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.211 28 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.211 28 G C 0.688 175.621 174.900 0.055 0.000 1.149 28 G CA -0.240 44.899 45.100 0.064 0.000 0.785 28 G HN 0.477 nan 8.290 nan 0.000 0.536 29 N N -0.273 118.459 118.700 0.054 0.000 2.640 29 N HA 0.279 5.019 4.740 -0.000 0.000 0.262 29 N C -1.908 173.609 175.510 0.011 0.000 1.174 29 N CA -1.688 51.383 53.050 0.034 0.000 0.791 29 N CB 2.217 40.728 38.487 0.040 0.000 1.279 29 N HN -0.185 nan 8.380 nan 0.000 0.535 30 P HA -0.045 nan 4.420 nan 0.000 0.230 30 P C 0.794 178.045 177.300 -0.083 0.000 1.158 30 P CA 0.514 63.596 63.100 -0.030 0.000 0.769 30 P CB 0.332 32.029 31.700 -0.006 0.000 0.807 31 A N 1.463 124.248 122.820 -0.058 0.000 2.067 31 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 31 A C 1.721 179.246 177.584 -0.099 0.000 1.158 31 A CA 1.553 53.548 52.037 -0.071 0.000 0.661 31 A CB -1.227 17.749 19.000 -0.039 0.000 0.801 31 A HN 0.362 nan 8.150 nan 0.000 0.452 32 N N -0.454 118.187 118.700 -0.098 0.000 2.230 32 N HA 0.023 4.763 4.740 -0.000 0.000 0.202 32 N C -0.551 174.845 175.510 -0.189 0.000 1.119 32 N CA -0.384 52.594 53.050 -0.121 0.000 0.851 32 N CB -0.400 38.038 38.487 -0.082 0.000 0.990 32 N HN 0.157 nan 8.380 nan 0.000 0.497 33 N N 2.167 120.716 118.700 -0.251 0.000 2.492 33 N HA 0.181 4.921 4.740 -0.000 0.000 0.262 33 N C -2.170 173.035 175.510 -0.508 0.000 1.202 33 N CA -0.783 52.016 53.050 -0.418 0.000 0.926 33 N CB 0.332 38.385 38.487 -0.724 0.000 1.078 33 N HN 0.203 nan 8.380 nan 0.000 0.454 34 P HA 0.123 nan 4.420 nan 0.000 0.272 34 P C -0.005 177.097 177.300 -0.330 0.000 1.254 34 P CA -0.026 62.858 63.100 -0.360 0.000 0.795 34 P CB 0.506 31.974 31.700 -0.387 0.000 1.022 35 T N -3.845 110.624 114.554 -0.141 0.000 2.864 35 T HA 0.692 5.042 4.350 -0.000 0.000 0.289 35 T C 0.364 175.095 174.700 0.052 0.000 1.082 35 T CA -0.110 61.957 62.100 -0.055 0.000 1.009 35 T CB 1.317 70.130 68.868 -0.091 0.000 1.234 35 T HN 0.758 nan 8.240 nan 0.000 0.526 36 G N 0.790 109.636 108.800 0.078 0.000 2.512 36 G HA2 0.098 4.058 3.960 -0.000 0.000 0.254 36 G HA3 0.098 4.058 3.960 -0.000 0.000 0.254 36 G C 0.942 175.908 174.900 0.110 0.000 1.199 36 G CA 0.356 45.502 45.100 0.076 0.000 0.941 36 G HN 1.873 nan 8.290 nan 0.000 0.569 37 A N -0.044 122.829 122.820 0.089 0.000 2.235 37 A HA 0.618 4.938 4.320 -0.000 0.000 0.208 37 A C 2.240 179.899 177.584 0.125 0.000 1.172 37 A CA 1.832 53.924 52.037 0.091 0.000 0.786 37 A CB -0.509 18.532 19.000 0.069 0.000 0.804 37 A HN 2.228 nan 8.150 nan 0.000 0.479 38 A N -1.583 121.333 122.820 0.161 0.000 2.348 38 A HA 0.561 4.881 4.320 -0.000 0.000 0.224 38 A C 0.032 177.816 177.584 0.334 0.000 1.227 38 A CA -0.077 52.097 52.037 0.228 0.000 0.885 38 A CB -0.106 19.006 19.000 0.187 0.000 0.933 38 A HN 0.453 nan 8.150 nan 0.000 0.506 39 F N -0.409 119.593 119.950 0.088 0.000 2.565 39 F HA 0.610 5.137 4.527 -0.000 0.000 0.313 39 F C -1.756 174.079 175.800 0.059 0.000 1.091 39 F CA -1.475 56.575 58.000 0.083 0.000 0.915 39 F CB 2.041 41.062 39.000 0.035 0.000 1.208 39 F HN -0.020 nan 8.300 nan 0.000 0.453 40 D N 2.943 122.775 120.400 -0.945 0.000 2.328 40 D HA 0.260 4.900 4.640 -0.000 0.000 0.243 40 D C 0.834 176.592 176.300 -0.903 0.000 1.324 40 D CA 0.085 53.670 54.000 -0.692 0.000 0.966 40 D CB 0.947 41.563 40.800 -0.307 0.000 1.324 40 D HN 0.707 nan 8.370 nan 0.000 0.549 41 G N 1.575 109.794 108.800 -0.969 0.000 2.479 41 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 41 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 41 G C 1.325 176.110 174.900 -0.191 0.000 1.115 41 G CA 1.544 46.380 45.100 -0.441 0.000 0.757 41 G HN 0.542 nan 8.290 nan 0.000 0.560 42 T N -3.910 110.537 114.554 -0.178 0.000 3.088 42 T HA 0.027 4.377 4.350 -0.000 0.000 0.259 42 T C 1.337 175.972 174.700 -0.108 0.000 1.122 42 T CA 0.600 62.639 62.100 -0.103 0.000 1.095 42 T CB -0.541 68.281 68.868 -0.077 0.000 0.930 42 T HN 0.602 nan 8.240 nan 0.000 0.508 43 c N 1.773 120.277 118.600 -0.161 0.000 4.350 43 c HA -0.198 4.372 4.570 -0.000 0.000 0.302 43 c C 1.566 175.595 174.090 -0.102 0.000 1.390 43 c CA 0.956 57.202 56.329 -0.138 0.000 2.016 43 c CB -2.687 39.767 42.510 -0.094 0.000 1.271 43 c HN 0.787 nan 8.230 nan 0.000 0.760 44 T N -0.514 113.982 114.554 -0.097 0.000 3.031 44 T HA -0.002 4.348 4.350 -0.000 0.000 0.254 44 T C 0.813 175.473 174.700 -0.066 0.000 1.060 44 T CA 0.957 63.017 62.100 -0.067 0.000 1.135 44 T CB -0.157 68.679 68.868 -0.054 0.000 0.896 44 T HN 0.701 nan 8.240 nan 0.000 0.472 45 N N 2.228 120.878 118.700 -0.083 0.000 2.521 45 N HA 0.170 4.910 4.740 -0.000 0.000 0.236 45 N C 0.463 175.904 175.510 -0.115 0.000 1.067 45 N CA -0.117 52.891 53.050 -0.070 0.000 0.939 45 N CB 0.358 38.812 38.487 -0.055 0.000 1.201 45 N HN 0.304 nan 8.380 nan 0.000 0.511 46 L N 2.542 123.698 121.223 -0.111 0.000 2.675 46 L HA 0.045 4.385 4.340 -0.000 0.000 0.238 46 L C 1.690 178.376 176.870 -0.307 0.000 1.155 46 L CA 0.464 55.189 54.840 -0.190 0.000 0.881 46 L CB -0.036 41.959 42.059 -0.106 0.000 1.008 46 L HN 0.317 nan 8.230 nan 0.000 0.443 47 R N -0.778 119.618 120.500 -0.172 0.000 2.397 47 R HA 0.317 4.657 4.340 -0.000 0.000 0.241 47 R C 0.155 176.433 176.300 -0.036 0.000 0.914 47 R CA -0.037 56.036 56.100 -0.045 0.000 1.071 47 R CB 0.582 30.960 30.300 0.131 0.000 1.116 47 R HN 0.246 nan 8.270 nan 0.000 0.524 48 L N -0.562 120.577 121.223 -0.139 0.000 2.298 48 L HA 0.414 4.754 4.340 -0.000 0.000 0.268 48 L C -0.282 176.542 176.870 -0.077 0.000 1.010 48 L CA -1.330 53.507 54.840 -0.005 0.000 0.812 48 L CB 0.500 42.579 42.059 0.033 0.000 1.331 48 L HN -0.125 nan 8.230 nan 0.000 0.450 49 Y N -0.970 119.365 120.300 0.059 0.000 2.497 49 Y HA -0.016 4.534 4.550 -0.000 0.000 0.334 49 Y C 0.882 176.796 175.900 0.023 0.000 1.199 49 Y CA 0.057 58.234 58.100 0.128 0.000 1.425 49 Y CB 0.763 39.381 38.460 0.263 0.000 1.291 49 Y HN 0.510 nan 8.280 nan 0.000 0.562 50 c N 0.505 119.220 118.600 0.192 0.000 3.019 50 c HA 0.357 4.927 4.570 -0.000 0.000 0.295 50 c C 1.673 175.937 174.090 0.289 0.000 1.256 50 c CA 0.477 56.831 56.329 0.041 0.000 1.706 50 c CB -0.274 42.232 42.510 -0.008 0.000 2.153 50 c HN 1.201 nan 8.230 nan 0.000 0.618 51 G N 0.236 109.307 108.800 0.452 0.000 2.255 51 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.196 51 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.196 51 G C 0.420 175.473 174.900 0.254 0.000 0.998 51 G CA -0.091 45.255 45.100 0.410 0.000 0.656 51 G HN 0.768 nan 8.290 nan 0.000 0.490 52 G N 0.936 109.876 108.800 0.233 0.000 2.321 52 G HA2 0.495 4.455 3.960 -0.000 0.000 0.237 52 G HA3 0.495 4.455 3.960 -0.000 0.000 0.237 52 G C 0.032 175.030 174.900 0.165 0.000 1.282 52 G CA 1.203 46.416 45.100 0.188 0.000 0.886 52 G HN 1.054 nan 8.290 nan 0.000 0.528 53 D N -0.245 120.229 120.400 0.123 0.000 2.752 53 D HA 0.281 4.921 4.640 -0.000 0.000 0.313 53 D C 0.511 176.888 176.300 0.128 0.000 1.225 53 D CA -0.932 53.089 54.000 0.035 0.000 0.976 53 D CB 0.307 41.130 40.800 0.037 0.000 1.443 53 D HN 0.306 nan 8.370 nan 0.000 0.515 54 W N -0.532 120.846 121.300 0.130 0.000 2.402 54 W HA -0.018 4.642 4.660 -0.000 0.000 0.286 54 W C 2.033 178.607 176.519 0.091 0.000 1.221 54 W CA 0.831 58.237 57.345 0.101 0.000 1.257 54 W CB -0.873 28.670 29.460 0.138 0.000 1.120 54 W HN 0.544 nan 8.180 nan 0.000 0.551 55 Q N 0.488 120.464 119.800 0.293 0.000 2.124 55 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 55 Q C 2.373 178.463 176.000 0.150 0.000 0.977 55 Q CA 2.367 58.282 55.803 0.186 0.000 0.850 55 Q CB -0.989 27.831 28.738 0.137 0.000 0.901 55 Q HN 0.154 nan 8.270 nan 0.000 0.429 56 G N 0.371 109.269 108.800 0.163 0.000 2.422 56 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 56 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 56 G C 1.436 176.449 174.900 0.188 0.000 1.146 56 G CA 0.883 46.066 45.100 0.138 0.000 0.769 56 G HN 0.424 nan 8.290 nan 0.000 0.547 57 I N 0.537 121.278 120.570 0.286 0.000 2.252 57 I HA -0.117 4.053 4.170 -0.000 0.000 0.245 57 I C 2.633 178.862 176.117 0.188 0.000 1.102 57 I CA 0.742 62.236 61.300 0.323 0.000 1.385 57 I CB -0.211 37.941 38.000 0.253 0.000 1.064 57 I HN 0.146 nan 8.210 nan 0.000 0.414 58 I N 1.024 121.677 120.570 0.137 0.000 2.208 58 I HA -0.311 3.858 4.170 -0.000 0.000 0.245 58 I C 2.185 178.333 176.117 0.052 0.000 1.097 58 I CA 1.310 62.655 61.300 0.076 0.000 1.363 58 I CB -0.593 37.449 38.000 0.069 0.000 1.051 58 I HN 0.338 nan 8.210 nan 0.000 0.413 59 N N 0.986 119.713 118.700 0.045 0.000 2.120 59 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 59 N C 1.680 177.167 175.510 -0.039 0.000 1.024 59 N CA 1.089 54.136 53.050 -0.004 0.000 0.852 59 N CB -0.246 38.226 38.487 -0.025 0.000 1.003 59 N HN 0.263 nan 8.380 nan 0.000 0.424 60 K N 0.908 121.287 120.400 -0.034 0.000 2.365 60 K HA 0.124 4.444 4.320 -0.000 0.000 0.199 60 K C 1.907 178.542 176.600 0.057 0.000 1.045 60 K CA 0.186 56.436 56.287 -0.062 0.000 0.962 60 K CB -0.042 32.445 32.500 -0.022 0.000 0.759 60 K HN 0.332 nan 8.250 nan 0.000 0.469 61 I N 0.909 121.516 120.570 0.060 0.000 2.703 61 I HA -0.137 4.032 4.170 -0.000 0.000 0.259 61 I C 1.330 177.459 176.117 0.020 0.000 1.151 61 I CA 0.527 61.853 61.300 0.043 0.000 1.470 61 I CB -0.025 37.996 38.000 0.034 0.000 1.112 61 I HN 0.087 nan 8.210 nan 0.000 0.437 62 N N 1.036 119.743 118.700 0.012 0.000 2.415 62 N HA -0.099 4.641 4.740 -0.000 0.000 0.176 62 N C 0.859 176.370 175.510 0.001 0.000 1.042 62 N CA 0.994 54.047 53.050 0.004 0.000 0.902 62 N CB -0.114 38.374 38.487 0.002 0.000 0.986 62 N HN 0.478 nan 8.380 nan 0.000 0.447 63 D N -0.969 119.427 120.400 -0.006 0.000 2.328 63 D HA 0.164 4.804 4.640 -0.000 0.000 0.221 63 D C 1.132 177.447 176.300 0.024 0.000 1.072 63 D CA 0.153 54.150 54.000 -0.005 0.000 0.850 63 D CB -0.224 40.553 40.800 -0.038 0.000 0.922 63 D HN 0.129 nan 8.370 nan 0.000 0.516 64 G N -0.161 108.660 108.800 0.036 0.000 2.159 64 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.256 64 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.256 64 G C 0.613 175.573 174.900 0.100 0.000 0.977 64 G CA 0.422 45.552 45.100 0.050 0.000 0.652 64 G HN 0.379 nan 8.290 nan 0.000 0.531 65 Y N 0.643 120.942 120.300 -0.001 0.000 2.145 65 Y HA 0.123 4.673 4.550 -0.000 0.000 0.286 65 Y C 2.605 178.556 175.900 0.085 0.000 1.145 65 Y CA 2.345 60.487 58.100 0.070 0.000 1.148 65 Y CB -0.276 38.175 38.460 -0.015 0.000 0.981 65 Y HN 0.301 nan 8.280 nan 0.000 0.507 66 L N -0.870 120.327 121.223 -0.043 0.000 2.095 66 L HA -0.130 4.210 4.340 -0.000 0.000 0.204 66 L C 2.562 179.310 176.870 -0.204 0.000 1.080 66 L CA 1.611 56.314 54.840 -0.227 0.000 0.759 66 L CB -1.021 40.964 42.059 -0.123 0.000 0.914 66 L HN 0.316 nan 8.230 nan 0.000 0.439 67 T N -3.067 111.429 114.554 -0.098 0.000 2.821 67 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 67 T C 1.901 176.550 174.700 -0.086 0.000 1.046 67 T CA 1.008 63.058 62.100 -0.083 0.000 1.139 67 T CB -0.812 68.031 68.868 -0.041 0.000 0.871 67 T HN 0.357 nan 8.240 nan 0.000 0.454 68 G N 0.472 109.244 108.800 -0.046 0.000 2.509 68 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.218 68 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.218 68 G C 1.453 176.317 174.900 -0.059 0.000 1.124 68 G CA 0.480 45.587 45.100 0.011 0.000 0.776 68 G HN 0.519 nan 8.290 nan 0.000 0.547 69 M N -0.027 119.397 119.600 -0.294 0.000 2.514 69 M HA 0.236 4.716 4.480 -0.000 0.000 0.258 69 M C 1.747 177.809 176.300 -0.397 0.000 1.119 69 M CA 1.087 55.984 55.300 -0.672 0.000 1.111 69 M CB 0.372 32.388 32.600 -0.973 0.000 1.390 69 M HN 0.346 nan 8.290 nan 0.000 0.475 70 G N 0.466 109.115 108.800 -0.251 0.000 2.176 70 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.232 70 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.232 70 G C -0.030 174.772 174.900 -0.163 0.000 0.986 70 G CA 0.087 45.078 45.100 -0.181 0.000 0.643 70 G HN 0.322 nan 8.290 nan 0.000 0.522 71 V N 1.702 121.502 119.914 -0.189 0.000 2.655 71 V HA 0.453 4.573 4.120 -0.000 0.000 0.300 71 V C 1.629 177.671 176.094 -0.088 0.000 1.044 71 V CA 1.501 63.723 62.300 -0.130 0.000 1.095 71 V CB 1.319 33.031 31.823 -0.185 0.000 0.952 71 V HN 0.849 nan 8.190 nan 0.000 0.485 72 T N 0.359 114.881 114.554 -0.053 0.000 3.058 72 T HA 0.651 5.001 4.350 -0.000 0.000 0.278 72 T C 0.038 174.728 174.700 -0.018 0.000 0.974 72 T CA 0.400 62.463 62.100 -0.061 0.000 0.893 72 T CB 0.466 69.267 68.868 -0.112 0.000 1.138 72 T HN 1.112 nan 8.240 nan 0.000 0.529 73 A N 1.611 124.471 122.820 0.066 0.000 2.566 73 A HA 0.730 5.050 4.320 -0.000 0.000 0.297 73 A C -1.121 176.604 177.584 0.235 0.000 1.059 73 A CA -1.167 50.976 52.037 0.175 0.000 0.691 73 A CB 1.028 20.205 19.000 0.296 0.000 1.282 73 A HN 0.769 nan 8.150 nan 0.000 0.401 74 I N -1.694 119.025 120.570 0.248 0.000 2.569 74 I HA 0.890 5.060 4.170 -0.000 0.000 0.296 74 I C -1.004 175.315 176.117 0.337 0.000 1.028 74 I CA -0.793 60.663 61.300 0.261 0.000 1.082 74 I CB 2.024 40.118 38.000 0.157 0.000 1.264 74 I HN 0.773 nan 8.210 nan 0.000 0.429 75 W N 8.728 130.100 121.300 0.119 0.000 2.411 75 W HA 0.740 5.400 4.660 -0.000 0.000 0.317 75 W C -1.340 175.192 176.519 0.022 0.000 1.030 75 W CA -1.892 55.515 57.345 0.103 0.000 1.239 75 W CB 0.771 30.332 29.460 0.169 0.000 1.304 75 W HN 0.659 nan 8.180 nan 0.000 0.437 76 I N 2.453 123.199 120.570 0.294 0.000 2.822 76 I HA 0.657 4.827 4.170 -0.000 0.000 0.312 76 I C 0.448 176.565 176.117 -0.000 0.000 1.011 76 I CA -0.969 60.347 61.300 0.027 0.000 1.105 76 I CB 1.532 39.565 38.000 0.056 0.000 1.291 76 I HN 0.199 nan 8.210 nan 0.000 0.474 77 S N 1.566 117.112 115.700 -0.256 0.000 2.569 77 S HA -0.028 4.442 4.470 -0.000 0.000 0.274 77 S C 0.020 174.522 174.600 -0.163 0.000 1.353 77 S CA -0.321 57.651 58.200 -0.379 0.000 1.023 77 S CB 0.301 63.125 63.200 -0.627 0.000 0.876 77 S HN 0.696 nan 8.310 nan 0.000 0.540 78 Q N 2.875 122.541 119.800 -0.223 0.000 2.269 78 Q HA -0.024 4.316 4.340 -0.000 0.000 0.300 78 Q C -1.384 174.630 176.000 0.024 0.000 1.070 78 Q CA -1.010 54.724 55.803 -0.114 0.000 0.957 78 Q CB 0.589 29.217 28.738 -0.184 0.000 1.131 78 Q HN 0.356 nan 8.270 nan 0.000 0.377 79 P HA -0.070 nan 4.420 nan 0.000 0.227 79 P C 0.528 177.905 177.300 0.129 0.000 1.161 79 P CA 0.463 63.685 63.100 0.204 0.000 0.788 79 P CB -0.135 31.432 31.700 -0.221 0.000 0.822 80 V N -0.955 118.903 119.914 -0.093 0.000 3.287 80 V HA 0.112 4.232 4.120 -0.000 0.000 0.306 80 V C 0.498 176.558 176.094 -0.055 0.000 1.103 80 V CA -0.735 61.571 62.300 0.011 0.000 1.159 80 V CB -0.223 31.520 31.823 -0.133 0.000 1.036 80 V HN 0.016 nan 8.190 nan 0.000 0.487 81 E N 2.679 122.857 120.200 -0.037 0.000 2.351 81 E HA 0.149 4.499 4.350 -0.000 0.000 0.266 81 E C -0.019 176.437 176.600 -0.239 0.000 1.031 81 E CA -0.008 56.315 56.400 -0.129 0.000 0.911 81 E CB 0.197 29.869 29.700 -0.047 0.000 0.986 81 E HN 0.887 nan 8.360 nan 0.000 0.446 82 N N 3.242 121.745 118.700 -0.329 0.000 2.478 82 N HA 0.302 5.042 4.740 -0.000 0.000 0.275 82 N C 0.231 175.475 175.510 -0.443 0.000 1.221 82 N CA -0.800 52.081 53.050 -0.282 0.000 0.979 82 N CB 0.893 39.253 38.487 -0.212 0.000 1.202 82 N HN 0.468 nan 8.380 nan 0.000 0.564 83 I N -1.294 119.145 120.570 -0.217 0.000 2.993 83 I HA -0.037 4.133 4.170 -0.000 0.000 0.286 83 I C -0.150 175.768 176.117 -0.332 0.000 1.215 83 I CA 0.071 61.238 61.300 -0.222 0.000 1.393 83 I CB 0.212 38.187 38.000 -0.042 0.000 1.371 83 I HN 0.612 nan 8.210 nan 0.000 0.602 84 Y N 1.739 122.039 120.300 -0.000 0.000 2.449 84 Y HA 0.212 4.762 4.550 -0.000 0.000 0.254 84 Y C 1.346 177.253 175.900 0.011 0.000 1.140 84 Y CA -0.203 57.892 58.100 -0.008 0.000 1.272 84 Y CB -0.020 38.406 38.460 -0.057 0.000 1.114 84 Y HN 0.533 nan 8.280 nan 0.000 0.525 85 S N 1.360 117.122 115.700 0.103 0.000 2.562 85 S HA 0.204 4.673 4.470 -0.000 0.000 0.281 85 S C 0.056 174.684 174.600 0.047 0.000 1.333 85 S CA -0.241 57.977 58.200 0.031 0.000 1.052 85 S CB 0.411 63.563 63.200 -0.080 0.000 0.884 85 S HN 0.126 nan 8.310 nan 0.000 0.506 86 I N 3.706 124.298 120.570 0.037 0.000 2.287 86 I HA 0.238 4.408 4.170 -0.000 0.000 0.290 86 I C -0.170 175.936 176.117 -0.019 0.000 1.069 86 I CA -0.193 61.147 61.300 0.066 0.000 1.237 86 I CB 0.146 38.194 38.000 0.080 0.000 1.418 86 I HN 0.465 nan 8.210 nan 0.000 0.481 87 I N 6.096 126.631 120.570 -0.058 0.000 2.529 87 I HA 0.072 4.242 4.170 -0.000 0.000 0.284 87 I C 0.590 176.594 176.117 -0.189 0.000 1.082 87 I CA 0.031 61.179 61.300 -0.254 0.000 1.406 87 I CB 0.401 38.115 38.000 -0.477 0.000 1.405 87 I HN 0.572 nan 8.210 nan 0.000 0.548 88 N N 6.462 125.046 118.700 -0.193 0.000 2.476 88 N HA 0.187 4.927 4.740 -0.000 0.000 0.257 88 N C -1.568 173.875 175.510 -0.111 0.000 0.970 88 N CA -0.421 52.581 53.050 -0.080 0.000 0.938 88 N CB 0.800 39.287 38.487 -0.001 0.000 1.144 88 N HN 0.340 nan 8.380 nan 0.000 0.500 89 Y N 2.071 122.451 120.300 0.133 0.000 2.804 89 Y HA 0.187 4.737 4.550 -0.000 0.000 0.330 89 Y C 0.613 176.552 175.900 0.065 0.000 1.092 89 Y CA -0.543 57.618 58.100 0.102 0.000 1.315 89 Y CB 0.309 38.834 38.460 0.109 0.000 1.188 89 Y HN 0.479 nan 8.280 nan 0.000 0.512 90 S N 1.945 117.747 115.700 0.171 0.000 3.667 90 S HA -0.136 4.334 4.470 -0.000 0.000 0.405 90 S C 1.314 175.968 174.600 0.091 0.000 0.913 90 S CA 0.970 59.233 58.200 0.106 0.000 1.288 90 S CB -1.404 61.852 63.200 0.094 0.000 0.905 90 S HN 1.435 nan 8.310 nan 0.000 0.550 91 G N -1.316 107.531 108.800 0.078 0.000 2.454 91 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.225 91 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.225 91 G C 0.301 175.247 174.900 0.077 0.000 1.138 91 G CA 0.146 45.285 45.100 0.065 0.000 0.667 91 G HN 2.111 nan 8.290 nan 0.000 0.512 92 V N 0.101 120.079 119.914 0.106 0.000 2.461 92 V HA 0.697 4.817 4.120 -0.000 0.000 0.275 92 V C 0.159 176.339 176.094 0.142 0.000 1.047 92 V CA -1.347 61.025 62.300 0.120 0.000 0.955 92 V CB 1.295 33.201 31.823 0.137 0.000 0.988 92 V HN 0.328 nan 8.190 nan 0.000 0.471 93 N N 4.344 123.116 118.700 0.120 0.000 2.513 93 N HA 0.396 5.136 4.740 -0.000 0.000 0.274 93 N C -0.605 175.021 175.510 0.193 0.000 1.189 93 N CA -0.162 52.963 53.050 0.126 0.000 0.975 93 N CB 0.848 39.395 38.487 0.100 0.000 1.157 93 N HN 0.828 nan 8.380 nan 0.000 0.465 94 N N -0.192 118.648 118.700 0.233 0.000 2.235 94 N HA 0.356 5.096 4.740 -0.000 0.000 0.293 94 N C -0.734 175.000 175.510 0.374 0.000 1.083 94 N CA -0.361 52.907 53.050 0.363 0.000 0.801 94 N CB 2.361 41.195 38.487 0.579 0.000 1.559 94 N HN 0.549 nan 8.380 nan 0.000 0.472 95 T N -2.732 112.027 114.554 0.342 0.000 2.926 95 T HA 0.649 4.999 4.350 -0.000 0.000 0.289 95 T C 0.254 174.898 174.700 -0.094 0.000 1.054 95 T CA -0.805 61.456 62.100 0.269 0.000 1.015 95 T CB 1.733 70.783 68.868 0.304 0.000 1.167 95 T HN 0.357 nan 8.240 nan 0.000 0.526 96 A N 0.817 123.524 122.820 -0.189 0.000 2.840 96 A HA 0.325 4.645 4.320 -0.000 0.000 0.269 96 A C 1.119 178.065 177.584 -1.063 0.000 1.439 96 A CA -0.490 51.069 52.037 -0.798 0.000 1.083 96 A CB -1.630 17.251 19.000 -0.198 0.000 1.019 96 A HN 0.946 nan 8.150 nan 0.000 0.607 97 Y N -0.379 119.219 120.300 -1.169 0.000 2.274 97 Y HA -0.285 4.265 4.550 -0.000 0.000 0.290 97 Y C 1.858 177.417 175.900 -0.569 0.000 1.145 97 Y CA 1.698 59.110 58.100 -1.146 0.000 1.203 97 Y CB -1.098 36.866 38.460 -0.827 0.000 0.984 97 Y HN 0.650 nan 8.280 nan 0.000 0.533 98 H N -1.168 117.188 119.070 -1.190 0.000 2.495 98 H HA 0.297 4.853 4.556 -0.000 0.000 0.287 98 H C 1.989 176.850 175.328 -0.778 0.000 1.033 98 H CA 0.194 55.700 56.048 -0.903 0.000 1.307 98 H CB -0.713 28.618 29.762 -0.717 0.000 1.401 98 H HN 0.429 nan 8.280 nan 0.000 0.555 99 G N -0.395 108.050 108.800 -0.591 0.000 2.143 99 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.249 99 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.249 99 G C 0.245 174.963 174.900 -0.303 0.000 0.981 99 G CA 0.451 45.328 45.100 -0.372 0.000 0.665 99 G HN 0.517 nan 8.290 nan 0.000 0.528 100 Y N -1.231 119.115 120.300 0.076 0.000 2.457 100 Y HA 0.379 4.929 4.550 -0.000 0.000 0.263 100 Y C 0.784 176.878 175.900 0.323 0.000 1.164 100 Y CA -0.696 57.475 58.100 0.117 0.000 1.274 100 Y CB 0.352 38.853 38.460 0.068 0.000 1.097 100 Y HN 0.390 nan 8.280 nan 0.000 0.523 101 W N 1.466 122.900 121.300 0.223 0.000 2.101 101 W HA 0.684 5.344 4.660 -0.000 0.000 0.301 101 W C 0.102 176.595 176.519 -0.043 0.000 0.846 101 W CA -2.076 55.351 57.345 0.136 0.000 1.823 101 W CB -0.531 29.002 29.460 0.121 0.000 2.007 101 W HN -0.150 nan 8.180 nan 0.000 0.373 102 A N 2.317 125.180 122.820 0.072 0.000 2.445 102 A HA 0.443 4.763 4.320 -0.000 0.000 0.242 102 A C 1.402 178.939 177.584 -0.078 0.000 1.075 102 A CA 0.102 52.003 52.037 -0.226 0.000 0.777 102 A CB 0.583 19.082 19.000 -0.836 0.000 1.013 102 A HN 0.646 nan 8.150 nan 0.000 0.493 103 R N -0.027 120.417 120.500 -0.093 0.000 2.507 103 R HA 0.242 4.582 4.340 -0.000 0.000 0.230 103 R C -0.943 175.486 176.300 0.216 0.000 0.897 103 R CA 0.234 56.398 56.100 0.107 0.000 1.006 103 R CB 0.719 31.045 30.300 0.044 0.000 1.341 103 R HN 0.542 nan 8.270 nan 0.000 0.604 104 D N -0.028 120.418 120.400 0.078 0.000 2.613 104 D HA 0.169 4.809 4.640 -0.000 0.000 0.230 104 D C -0.743 175.684 176.300 0.211 0.000 1.365 104 D CA -0.597 53.564 54.000 0.268 0.000 0.976 104 D CB 1.102 42.035 40.800 0.221 0.000 1.415 104 D HN 0.002 nan 8.370 nan 0.000 0.589 105 F N 1.870 122.069 119.950 0.415 0.000 2.811 105 F HA 0.187 4.714 4.527 -0.000 0.000 0.301 105 F C 2.025 178.103 175.800 0.463 0.000 1.151 105 F CA 0.458 58.688 58.000 0.384 0.000 1.412 105 F CB 0.326 39.509 39.000 0.304 0.000 1.113 105 F HN 0.123 nan 8.300 nan 0.000 0.579 106 K N -0.311 120.382 120.400 0.487 0.000 2.373 106 K HA 0.171 4.491 4.320 -0.000 0.000 0.202 106 K C 0.296 177.023 176.600 0.211 0.000 1.025 106 K CA 0.146 56.614 56.287 0.302 0.000 1.115 106 K CB 0.599 33.235 32.500 0.227 0.000 0.858 106 K HN 0.117 nan 8.250 nan 0.000 0.525 107 K N 0.633 121.205 120.400 0.287 0.000 2.395 107 K HA 0.259 4.579 4.320 -0.000 0.000 0.245 107 K C -0.245 176.544 176.600 0.316 0.000 1.017 107 K CA -0.688 55.730 56.287 0.218 0.000 0.852 107 K CB 1.990 34.582 32.500 0.154 0.000 1.311 107 K HN -0.049 nan 8.250 nan 0.000 0.452 108 T N -1.742 112.977 114.554 0.276 0.000 2.927 108 T HA 0.226 4.575 4.350 -0.000 0.000 0.281 108 T C 0.068 174.845 174.700 0.128 0.000 0.998 108 T CA -0.874 61.429 62.100 0.338 0.000 1.019 108 T CB 0.971 70.114 68.868 0.457 0.000 1.061 108 T HN 0.422 nan 8.240 nan 0.000 0.518 109 N N 1.912 120.623 118.700 0.018 0.000 2.401 109 N HA 0.210 4.950 4.740 -0.000 0.000 0.255 109 N C -1.843 173.514 175.510 -0.254 0.000 1.110 109 N CA -2.031 50.874 53.050 -0.242 0.000 0.949 109 N CB 1.163 39.282 38.487 -0.612 0.000 1.110 109 N HN 0.311 nan 8.380 nan 0.000 0.490 110 P HA -0.153 nan 4.420 nan 0.000 0.217 110 P C 0.812 177.997 177.300 -0.192 0.000 1.148 110 P CA 1.413 64.452 63.100 -0.102 0.000 0.834 110 P CB 0.243 31.927 31.700 -0.026 0.000 0.783 111 A N -1.806 120.834 122.820 -0.299 0.000 1.972 111 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 111 A C 1.825 179.302 177.584 -0.178 0.000 1.169 111 A CA 1.456 53.322 52.037 -0.285 0.000 0.635 111 A CB -1.634 17.130 19.000 -0.393 0.000 0.810 111 A HN 0.133 nan 8.150 nan 0.000 0.446 112 Y N -0.809 119.239 120.300 -0.421 0.000 2.243 112 Y HA 0.366 4.916 4.550 -0.000 0.000 0.293 112 Y C 1.616 176.967 175.900 -0.915 0.000 1.124 112 Y CA 0.190 57.766 58.100 -0.872 0.000 1.159 112 Y CB -0.747 36.823 38.460 -1.483 0.000 1.008 112 Y HN 0.457 nan 8.280 nan 0.000 0.527 113 G N -1.161 107.356 108.800 -0.472 0.000 2.359 113 G HA2 0.309 4.269 3.960 -0.000 0.000 0.293 113 G HA3 0.309 4.269 3.960 -0.000 0.000 0.293 113 G C -0.733 174.274 174.900 0.177 0.000 1.300 113 G CA -0.517 44.557 45.100 -0.044 0.000 0.888 113 G HN 0.200 nan 8.290 nan 0.000 0.541 114 T N -1.530 113.211 114.554 0.310 0.000 2.897 114 T HA 0.577 4.927 4.350 -0.000 0.000 0.278 114 T C 1.599 176.553 174.700 0.424 0.000 0.981 114 T CA -0.456 61.819 62.100 0.291 0.000 0.973 114 T CB 1.022 69.999 68.868 0.180 0.000 1.092 114 T HN 0.458 nan 8.240 nan 0.000 0.543 115 I N 0.686 121.427 120.570 0.286 0.000 2.335 115 I HA -0.139 4.031 4.170 -0.000 0.000 0.251 115 I C 2.892 179.162 176.117 0.255 0.000 1.129 115 I CA 1.709 63.157 61.300 0.247 0.000 1.402 115 I CB -1.946 36.114 38.000 0.100 0.000 1.069 115 I HN 0.880 nan 8.210 nan 0.000 0.424 116 A N 0.518 123.461 122.820 0.204 0.000 1.898 116 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 116 A C 2.004 179.702 177.584 0.189 0.000 1.181 116 A CA 1.643 53.775 52.037 0.158 0.000 0.620 116 A CB -0.505 18.565 19.000 0.117 0.000 0.819 116 A HN 0.355 nan 8.150 nan 0.000 0.442 117 D N -1.086 119.484 120.400 0.282 0.000 2.144 117 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 117 D C 1.617 178.097 176.300 0.300 0.000 0.984 117 D CA 1.192 55.391 54.000 0.332 0.000 0.834 117 D CB -0.353 40.740 40.800 0.488 0.000 0.955 117 D HN 0.459 nan 8.370 nan 0.000 0.465 118 F N 1.921 121.959 119.950 0.147 0.000 2.134 118 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 118 F C 2.438 178.150 175.800 -0.148 0.000 1.097 118 F CA 1.403 59.259 58.000 -0.240 0.000 1.264 118 F CB -0.146 38.701 39.000 -0.255 0.000 1.001 118 F HN -0.098 nan 8.300 nan 0.000 0.479 119 Q N -0.147 119.659 119.800 0.011 0.000 2.124 119 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 119 Q C 1.901 177.815 176.000 -0.144 0.000 0.977 119 Q CA 1.817 57.572 55.803 -0.080 0.000 0.850 119 Q CB -0.577 28.175 28.738 0.024 0.000 0.901 119 Q HN 0.606 nan 8.270 nan 0.000 0.429 120 N N 0.382 119.039 118.700 -0.071 0.000 2.244 120 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 120 N C 1.707 177.141 175.510 -0.126 0.000 1.016 120 N CA 0.322 53.336 53.050 -0.060 0.000 0.866 120 N CB 0.018 38.514 38.487 0.015 0.000 0.980 120 N HN 0.083 nan 8.380 nan 0.000 0.430 121 L N 1.234 122.329 121.223 -0.214 0.000 2.056 121 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 121 L C 1.759 178.403 176.870 -0.377 0.000 1.078 121 L CA 1.363 56.033 54.840 -0.283 0.000 0.749 121 L CB -0.378 41.412 42.059 -0.448 0.000 0.901 121 L HN 0.123 nan 8.230 nan 0.000 0.433 122 I N 0.033 120.288 120.570 -0.525 0.000 2.252 122 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 122 I C 2.654 178.435 176.117 -0.561 0.000 1.102 122 I CA 1.368 62.295 61.300 -0.621 0.000 1.385 122 I CB -1.955 35.691 38.000 -0.590 0.000 1.064 122 I HN 0.344 nan 8.210 nan 0.000 0.414 123 A N 1.020 123.652 122.820 -0.313 0.000 1.873 123 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 123 A C 2.589 180.105 177.584 -0.113 0.000 1.186 123 A CA 1.952 53.886 52.037 -0.171 0.000 0.616 123 A CB -0.841 18.102 19.000 -0.095 0.000 0.823 123 A HN 0.392 nan 8.150 nan 0.000 0.442 124 A N -0.188 122.567 122.820 -0.109 0.000 1.902 124 A HA 0.168 4.488 4.320 -0.000 0.000 0.217 124 A C 2.494 180.049 177.584 -0.049 0.000 1.181 124 A CA 2.145 54.146 52.037 -0.059 0.000 0.623 124 A CB -0.997 17.977 19.000 -0.044 0.000 0.818 124 A HN 0.999 nan 8.150 nan 0.000 0.443 125 A N -0.602 122.163 122.820 -0.093 0.000 1.845 125 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 125 A C 1.931 179.552 177.584 0.061 0.000 1.195 125 A CA 1.598 53.613 52.037 -0.037 0.000 0.616 125 A CB -1.176 17.778 19.000 -0.077 0.000 0.832 125 A HN 0.739 nan 8.150 nan 0.000 0.443 126 H N -0.694 118.343 119.070 -0.055 0.000 2.422 126 H HA -0.074 4.482 4.556 -0.000 0.000 0.298 126 H C 2.374 177.674 175.328 -0.046 0.000 1.098 126 H CA 0.579 56.597 56.048 -0.051 0.000 1.315 126 H CB -0.002 29.730 29.762 -0.049 0.000 1.382 126 H HN 0.570 nan 8.280 nan 0.000 0.523 127 A N 0.933 123.802 122.820 0.082 0.000 2.070 127 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 127 A C 1.658 179.249 177.584 0.013 0.000 1.159 127 A CA 1.191 53.247 52.037 0.032 0.000 0.656 127 A CB 0.097 19.104 19.000 0.012 0.000 0.800 127 A HN 0.126 nan 8.150 nan 0.000 0.453 128 K N 0.168 120.576 120.400 0.013 0.000 2.498 128 K HA 0.132 4.452 4.320 -0.000 0.000 0.207 128 K C -0.322 176.269 176.600 -0.015 0.000 1.033 128 K CA -0.337 55.947 56.287 -0.004 0.000 1.138 128 K CB -0.075 32.422 32.500 -0.006 0.000 0.860 128 K HN 0.481 nan 8.250 nan 0.000 0.490 129 N N 0.967 119.659 118.700 -0.013 0.000 2.735 129 N HA -0.212 4.528 4.740 -0.000 0.000 0.248 129 N C -0.631 174.851 175.510 -0.046 0.000 1.083 129 N CA 0.754 53.776 53.050 -0.047 0.000 0.703 129 N CB -1.345 37.101 38.487 -0.068 0.000 1.005 129 N HN 0.353 nan 8.380 nan 0.000 0.550 130 I N 0.789 121.363 120.570 0.007 0.000 2.389 130 I HA 0.197 4.367 4.170 -0.000 0.000 0.288 130 I C 0.557 176.734 176.117 0.100 0.000 0.999 130 I CA -0.606 60.709 61.300 0.025 0.000 1.129 130 I CB 1.475 39.493 38.000 0.029 0.000 1.288 130 I HN -0.206 nan 8.210 nan 0.000 0.444 131 K N 4.666 125.108 120.400 0.069 0.000 2.154 131 K HA 0.537 4.857 4.320 -0.000 0.000 0.264 131 K C -0.846 175.902 176.600 0.246 0.000 1.008 131 K CA -0.585 55.794 56.287 0.153 0.000 0.937 131 K CB 1.722 34.243 32.500 0.035 0.000 1.002 131 K HN 0.276 nan 8.250 nan 0.000 0.469 132 V N 4.239 124.318 119.914 0.275 0.000 2.409 132 V HA 0.369 4.489 4.120 -0.000 0.000 0.291 132 V C -0.234 176.009 176.094 0.248 0.000 1.020 132 V CA -0.724 61.693 62.300 0.195 0.000 0.848 132 V CB 1.031 32.865 31.823 0.018 0.000 0.990 132 V HN 0.588 nan 8.190 nan 0.000 0.430 133 I N 6.103 126.826 120.570 0.256 0.000 2.441 133 I HA 0.572 4.742 4.170 -0.000 0.000 0.295 133 I C -0.213 176.020 176.117 0.192 0.000 0.994 133 I CA -0.645 60.781 61.300 0.209 0.000 1.144 133 I CB 1.868 39.993 38.000 0.209 0.000 1.314 133 I HN 0.614 nan 8.210 nan 0.000 0.445 134 I N 1.263 121.898 120.570 0.108 0.000 2.562 134 I HA 0.553 4.723 4.170 -0.000 0.000 0.301 134 I C -0.591 175.549 176.117 0.038 0.000 1.003 134 I CA -0.658 60.703 61.300 0.101 0.000 1.127 134 I CB 1.880 39.896 38.000 0.027 0.000 1.304 134 I HN 0.401 nan 8.210 nan 0.000 0.446 135 D N 4.051 124.523 120.400 0.120 0.000 2.302 135 D HA 0.330 4.970 4.640 -0.000 0.000 0.248 135 D C -1.683 174.723 176.300 0.177 0.000 1.094 135 D CA 0.209 54.290 54.000 0.134 0.000 0.897 135 D CB 1.400 42.352 40.800 0.252 0.000 1.200 135 D HN 0.476 nan 8.370 nan 0.000 0.429 136 F N 1.905 121.852 119.950 -0.004 0.000 2.579 136 F HA 0.482 5.009 4.527 -0.000 0.000 0.325 136 F C -0.810 175.055 175.800 0.108 0.000 1.162 136 F CA -0.916 57.107 58.000 0.038 0.000 0.946 136 F CB 1.713 40.720 39.000 0.011 0.000 1.211 136 F HN 0.304 nan 8.300 nan 0.000 0.447 137 A N 7.903 130.618 122.820 -0.175 0.000 2.923 137 A HA 0.482 4.802 4.320 -0.000 0.000 0.343 137 A C -2.300 175.134 177.584 -0.250 0.000 1.199 137 A CA -1.137 50.837 52.037 -0.105 0.000 0.878 137 A CB -0.263 18.784 19.000 0.078 0.000 1.104 137 A HN 0.475 nan 8.150 nan 0.000 0.483 138 P HA -0.027 nan 4.420 nan 0.000 0.253 138 P C 0.592 177.829 177.300 -0.105 0.000 1.260 138 P CA 0.416 63.312 63.100 -0.339 0.000 0.800 138 P CB 0.141 31.688 31.700 -0.255 0.000 1.162 139 N N 0.879 119.528 118.700 -0.085 0.000 2.300 139 N HA -0.104 4.636 4.740 -0.000 0.000 0.179 139 N C 0.817 176.395 175.510 0.114 0.000 1.016 139 N CA 0.690 53.790 53.050 0.084 0.000 0.876 139 N CB -0.032 38.581 38.487 0.211 0.000 0.979 139 N HN 0.276 nan 8.380 nan 0.000 0.432 140 H N -4.587 114.538 119.070 0.091 0.000 2.933 140 H HA 0.302 4.858 4.556 -0.000 0.000 0.310 140 H C -0.036 175.437 175.328 0.242 0.000 1.351 140 H CA -0.065 56.055 56.048 0.121 0.000 1.137 140 H CB 0.681 30.497 29.762 0.091 0.000 1.853 140 H HN 0.042 nan 8.280 nan 0.000 0.539 141 T N -1.103 113.668 114.554 0.361 0.000 3.556 141 T HA 0.352 4.702 4.350 -0.000 0.000 0.204 141 T C 0.593 175.478 174.700 0.307 0.000 0.896 141 T CA 0.841 63.136 62.100 0.325 0.000 1.380 141 T CB -0.492 68.592 68.868 0.360 0.000 1.584 141 T HN 0.846 nan 8.240 nan 0.000 0.411 142 S N 0.827 116.616 115.700 0.148 0.000 2.671 142 S HA 0.683 5.153 4.470 -0.000 0.000 0.277 142 S C -3.357 171.091 174.600 -0.253 0.000 1.165 142 S CA -1.616 56.542 58.200 -0.069 0.000 0.822 142 S CB 1.115 64.251 63.200 -0.107 0.000 1.150 142 S HN 0.236 nan 8.310 nan 0.000 0.479 143 P HA 0.456 nan 4.420 nan 0.000 0.263 143 P C -0.980 176.205 177.300 -0.193 0.000 1.195 143 P CA 0.363 63.270 63.100 -0.322 0.000 0.762 143 P CB 0.396 31.841 31.700 -0.425 0.000 0.799 144 A N 2.691 125.454 122.820 -0.094 0.000 2.566 144 A HA 0.798 5.118 4.320 -0.000 0.000 0.292 144 A C -0.925 176.678 177.584 0.031 0.000 1.112 144 A CA -0.530 51.482 52.037 -0.041 0.000 0.707 144 A CB 1.726 20.550 19.000 -0.293 0.000 1.302 144 A HN 0.340 nan 8.150 nan 0.000 0.409 145 S N -0.591 115.209 115.700 0.166 0.000 2.668 145 S HA 0.449 4.919 4.470 -0.000 0.000 0.277 145 S C 0.863 175.595 174.600 0.221 0.000 1.170 145 S CA 0.228 58.507 58.200 0.133 0.000 0.994 145 S CB 1.258 64.451 63.200 -0.012 0.000 1.051 145 S HN 1.759 nan 8.310 nan 0.000 0.484 146 S N 3.234 119.103 115.700 0.283 0.000 2.447 146 S HA -0.077 4.393 4.470 -0.000 0.000 0.233 146 S C 0.866 175.491 174.600 0.042 0.000 1.006 146 S CA 1.369 59.645 58.200 0.127 0.000 0.957 146 S CB -0.422 62.791 63.200 0.021 0.000 0.773 146 S HN 0.722 nan 8.310 nan 0.000 0.507 147 D N 1.326 121.749 120.400 0.038 0.000 2.120 147 D HA 0.049 4.689 4.640 -0.000 0.000 0.202 147 D C 0.659 176.964 176.300 0.008 0.000 0.972 147 D CA 0.926 54.928 54.000 0.002 0.000 0.837 147 D CB -0.018 40.771 40.800 -0.018 0.000 0.989 147 D HN 0.302 nan 8.370 nan 0.000 0.469 148 Q N 0.492 120.306 119.800 0.023 0.000 2.730 148 Q HA 0.220 4.560 4.340 -0.000 0.000 0.244 148 Q C -2.042 174.018 176.000 0.100 0.000 1.176 148 Q CA -1.661 54.171 55.803 0.048 0.000 1.024 148 Q CB 1.071 29.827 28.738 0.031 0.000 1.215 148 Q HN 0.163 nan 8.270 nan 0.000 0.542 149 P HA -0.065 nan 4.420 nan 0.000 0.226 149 P C 0.834 178.172 177.300 0.062 0.000 1.146 149 P CA 1.048 64.184 63.100 0.060 0.000 0.773 149 P CB 0.523 32.240 31.700 0.029 0.000 0.772 150 S N -1.690 114.055 115.700 0.075 0.000 2.478 150 S HA 0.045 4.515 4.470 -0.000 0.000 0.222 150 S C 0.547 175.199 174.600 0.086 0.000 1.008 150 S CA -0.273 57.965 58.200 0.063 0.000 0.928 150 S CB -0.590 62.642 63.200 0.054 0.000 0.781 150 S HN 0.112 nan 8.310 nan 0.000 0.518 151 F N 3.530 123.455 119.950 -0.042 0.000 2.578 151 F HA 0.425 4.952 4.527 -0.000 0.000 0.381 151 F C 1.048 176.797 175.800 -0.085 0.000 1.069 151 F CA -0.253 57.704 58.000 -0.072 0.000 1.231 151 F CB -0.465 38.489 39.000 -0.077 0.000 1.086 151 F HN 0.326 nan 8.300 nan 0.000 0.564 152 A N 4.860 127.245 122.820 -0.725 0.000 5.481 152 A HA -0.354 3.966 4.320 -0.000 0.000 0.318 152 A C 1.010 178.433 177.584 -0.269 0.000 1.837 152 A CA 1.621 53.286 52.037 -0.619 0.000 0.717 152 A CB -1.463 16.979 19.000 -0.931 0.000 1.349 152 A HN 0.817 nan 8.150 nan 0.000 0.388 153 E N 0.844 120.918 120.200 -0.211 0.000 2.685 153 E HA 0.261 4.611 4.350 -0.000 0.000 0.208 153 E C 0.376 176.956 176.600 -0.032 0.000 0.996 153 E CA 0.377 56.742 56.400 -0.059 0.000 1.054 153 E CB -0.133 29.574 29.700 0.011 0.000 1.075 153 E HN 0.647 nan 8.360 nan 0.000 0.460 154 N N 0.605 119.267 118.700 -0.062 0.000 2.681 154 N HA -0.263 4.477 4.740 -0.000 0.000 0.250 154 N C 0.730 176.192 175.510 -0.079 0.000 1.133 154 N CA 0.400 53.438 53.050 -0.021 0.000 0.732 154 N CB -0.647 37.849 38.487 0.014 0.000 1.107 154 N HN 0.571 nan 8.380 nan 0.000 0.559 155 G N 0.061 108.796 108.800 -0.109 0.000 2.203 155 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.263 155 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.263 155 G C 0.170 175.079 174.900 0.015 0.000 1.012 155 G CA 0.732 45.763 45.100 -0.114 0.000 0.749 155 G HN 0.621 nan 8.290 nan 0.000 0.512 156 R N -0.951 119.591 120.500 0.070 0.000 2.585 156 R HA 0.321 4.661 4.340 -0.000 0.000 0.275 156 R C 0.173 176.602 176.300 0.215 0.000 1.018 156 R CA -0.121 56.050 56.100 0.118 0.000 1.072 156 R CB 0.460 30.813 30.300 0.088 0.000 0.953 156 R HN 0.285 nan 8.270 nan 0.000 0.419 157 L N 4.102 125.400 121.223 0.125 0.000 2.322 157 L HA 0.386 4.726 4.340 -0.000 0.000 0.281 157 L C -1.515 175.298 176.870 -0.095 0.000 1.014 157 L CA -0.494 54.425 54.840 0.132 0.000 0.815 157 L CB 1.061 43.160 42.059 0.066 0.000 1.247 157 L HN 0.383 nan 8.230 nan 0.000 0.421 158 Y N 2.210 122.546 120.300 0.060 0.000 2.509 158 Y HA 0.448 4.998 4.550 -0.000 0.000 0.341 158 Y C -0.179 175.763 175.900 0.071 0.000 1.038 158 Y CA -0.806 57.325 58.100 0.051 0.000 1.089 158 Y CB 1.553 40.072 38.460 0.099 0.000 1.241 158 Y HN 0.523 nan 8.280 nan 0.000 0.468 159 D N 2.599 123.125 120.400 0.210 0.000 2.485 159 D HA 0.099 4.739 4.640 -0.000 0.000 0.256 159 D C -0.312 176.172 176.300 0.308 0.000 1.141 159 D CA -0.195 53.991 54.000 0.310 0.000 0.942 159 D CB -0.369 40.532 40.800 0.169 0.000 1.003 159 D HN 0.700 nan 8.370 nan 0.000 0.507 160 N N 2.900 121.798 118.700 0.330 0.000 2.738 160 N HA -0.238 4.502 4.740 -0.000 0.000 0.249 160 N C 0.928 176.547 175.510 0.183 0.000 1.047 160 N CA 1.905 55.089 53.050 0.223 0.000 0.707 160 N CB -1.120 37.473 38.487 0.177 0.000 0.937 160 N HN 0.711 nan 8.380 nan 0.000 0.545 161 G N -2.445 106.483 108.800 0.213 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 0.267 175.343 174.900 0.294 0.000 1.032 161 G CA 0.283 45.495 45.100 0.186 0.000 0.623 161 G HN 0.740 nan 8.290 nan 0.000 0.506 162 T N 2.516 117.218 114.554 0.246 0.000 2.780 162 T HA 0.533 4.883 4.350 -0.000 0.000 0.294 162 T C 0.168 174.942 174.700 0.124 0.000 0.949 162 T CA -0.169 62.037 62.100 0.177 0.000 1.074 162 T CB 1.911 70.842 68.868 0.104 0.000 0.910 162 T HN 0.636 nan 8.240 nan 0.000 0.501 163 L N 4.791 126.016 121.223 0.003 0.000 2.410 163 L HA 0.260 4.600 4.340 -0.000 0.000 0.273 163 L C 0.555 177.291 176.870 -0.223 0.000 1.152 163 L CA 0.365 54.995 54.840 -0.349 0.000 0.855 163 L CB 0.047 41.898 42.059 -0.346 0.000 1.129 163 L HN 0.714 nan 8.230 nan 0.000 0.463 164 L N 4.155 125.214 121.223 -0.273 0.000 2.388 164 L HA 0.517 4.857 4.340 -0.000 0.000 0.209 164 L C 0.920 177.712 176.870 -0.130 0.000 1.061 164 L CA 0.430 55.159 54.840 -0.184 0.000 0.834 164 L CB -0.053 41.861 42.059 -0.242 0.000 1.029 164 L HN 0.837 nan 8.230 nan 0.000 0.473 165 G N -1.150 107.581 108.800 -0.115 0.000 2.340 165 G HA2 0.433 4.393 3.960 -0.000 0.000 0.298 165 G HA3 0.433 4.393 3.960 -0.000 0.000 0.298 165 G C -1.481 173.495 174.900 0.127 0.000 1.498 165 G CA -0.117 44.992 45.100 0.016 0.000 0.847 165 G HN 0.098 nan 8.290 nan 0.000 0.594 166 G N -1.582 107.286 108.800 0.114 0.000 2.644 166 G HA2 0.512 4.472 3.960 -0.000 0.000 0.307 166 G HA3 0.512 4.472 3.960 -0.000 0.000 0.307 166 G C 0.250 175.105 174.900 -0.075 0.000 1.250 166 G CA -0.369 44.751 45.100 0.033 0.000 0.996 166 G HN 0.733 nan 8.290 nan 0.000 0.489 167 Y N 0.174 120.201 120.300 -0.455 0.000 2.314 167 Y HA 0.112 4.662 4.550 -0.000 0.000 0.293 167 Y C 1.715 177.554 175.900 -0.102 0.000 1.129 167 Y CA 1.168 58.965 58.100 -0.505 0.000 1.201 167 Y CB 0.048 38.196 38.460 -0.521 0.000 0.999 167 Y HN 0.303 nan 8.280 nan 0.000 0.541 168 T N 1.777 116.281 114.554 -0.082 0.000 2.817 168 T HA 0.086 4.436 4.350 -0.000 0.000 0.293 168 T C 0.127 174.765 174.700 -0.104 0.000 0.964 168 T CA -0.045 61.990 62.100 -0.108 0.000 1.085 168 T CB 0.277 69.126 68.868 -0.030 0.000 0.921 168 T HN 0.469 nan 8.240 nan 0.000 0.502 169 N N 2.000 120.613 118.700 -0.146 0.000 2.783 169 N HA -0.176 4.564 4.740 -0.000 0.000 0.247 169 N C -0.883 174.574 175.510 -0.088 0.000 1.089 169 N CA 0.026 53.007 53.050 -0.116 0.000 0.690 169 N CB -0.435 38.009 38.487 -0.071 0.000 0.991 169 N HN 0.645 nan 8.380 nan 0.000 0.552 170 D N 0.306 120.640 120.400 -0.109 0.000 2.600 170 D HA 0.096 4.736 4.640 -0.000 0.000 0.226 170 D C 1.691 177.978 176.300 -0.022 0.000 1.119 170 D CA 0.552 54.562 54.000 0.017 0.000 1.051 170 D CB 0.260 41.191 40.800 0.217 0.000 1.106 170 D HN 0.387 nan 8.370 nan 0.000 0.491 171 T N -0.596 113.937 114.554 -0.035 0.000 2.951 171 T HA -0.171 4.178 4.350 -0.000 0.000 0.268 171 T C 1.635 176.322 174.700 -0.020 0.000 1.073 171 T CA 0.667 62.741 62.100 -0.043 0.000 1.134 171 T CB -0.137 68.705 68.868 -0.043 0.000 0.884 171 T HN 0.360 nan 8.240 nan 0.000 0.479 172 Q N 1.022 120.819 119.800 -0.005 0.000 2.378 172 Q HA 0.033 4.373 4.340 -0.000 0.000 0.205 172 Q C 0.079 176.073 176.000 -0.010 0.000 0.954 172 Q CA 0.345 56.140 55.803 -0.012 0.000 0.901 172 Q CB -0.134 28.591 28.738 -0.022 0.000 0.981 172 Q HN 0.550 nan 8.270 nan 0.000 0.483 173 N N -1.046 117.672 118.700 0.030 0.000 2.783 173 N HA -0.177 4.563 4.740 -0.000 0.000 0.247 173 N C -0.056 175.433 175.510 -0.036 0.000 1.089 173 N CA 0.310 53.392 53.050 0.053 0.000 0.690 173 N CB -1.175 37.328 38.487 0.027 0.000 0.991 173 N HN 0.293 nan 8.380 nan 0.000 0.552 174 L N -1.646 119.524 121.223 -0.088 0.000 2.156 174 L HA 0.081 4.421 4.340 -0.000 0.000 0.208 174 L C 0.657 177.132 176.870 -0.660 0.000 1.095 174 L CA 0.932 55.514 54.840 -0.429 0.000 0.770 174 L CB -0.147 41.538 42.059 -0.624 0.000 0.914 174 L HN 0.130 nan 8.230 nan 0.000 0.439 175 F N -2.412 117.464 119.950 -0.124 0.000 2.572 175 F HA 0.383 4.910 4.527 -0.000 0.000 0.342 175 F C 0.438 176.077 175.800 -0.268 0.000 1.064 175 F CA -1.030 56.849 58.000 -0.202 0.000 1.008 175 F CB 0.475 39.463 39.000 -0.021 0.000 1.303 175 F HN -0.233 nan 8.300 nan 0.000 0.492 176 H N -0.405 118.658 119.070 -0.012 0.000 2.481 176 H HA 0.332 4.888 4.556 -0.000 0.000 0.339 176 H C -0.665 174.488 175.328 -0.291 0.000 1.131 176 H CA -0.498 55.496 56.048 -0.089 0.000 1.301 176 H CB 0.811 30.570 29.762 -0.005 0.000 1.476 176 H HN 0.444 nan 8.280 nan 0.000 0.529 177 H N 2.567 121.769 119.070 0.220 0.000 2.624 177 H HA 0.127 4.683 4.556 -0.000 0.000 0.233 177 H C -0.143 175.206 175.328 0.035 0.000 1.376 177 H CA -0.247 55.866 56.048 0.109 0.000 1.137 177 H CB 0.244 29.994 29.762 -0.019 0.000 1.867 177 H HN 0.676 nan 8.280 nan 0.000 0.547 178 N N 0.653 119.395 118.700 0.070 0.000 2.184 178 N HA 0.159 4.899 4.740 -0.000 0.000 0.206 178 N C 1.203 176.697 175.510 -0.027 0.000 1.151 178 N CA 0.680 53.721 53.050 -0.016 0.000 0.878 178 N CB 2.322 40.752 38.487 -0.094 0.000 1.014 178 N HN 0.640 nan 8.380 nan 0.000 0.512 179 G N -0.099 108.705 108.800 0.007 0.000 2.512 179 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.210 179 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.210 179 G C -0.356 174.500 174.900 -0.074 0.000 1.295 179 G CA -0.542 44.544 45.100 -0.025 0.000 0.934 179 G HN 0.394 nan 8.290 nan 0.000 0.554 180 G N -1.012 107.721 108.800 -0.112 0.000 2.420 180 G HA2 0.718 4.678 3.960 -0.000 0.000 0.331 180 G HA3 0.718 4.678 3.960 -0.000 0.000 0.331 180 G C -0.003 174.749 174.900 -0.246 0.000 1.168 180 G CA 0.963 45.954 45.100 -0.183 0.000 0.936 180 G HN 1.277 nan 8.290 nan 0.000 0.479 181 T N -0.778 113.546 114.554 -0.384 0.000 2.904 181 T HA 0.307 4.657 4.350 -0.000 0.000 0.290 181 T C 0.619 174.974 174.700 -0.576 0.000 1.018 181 T CA -0.024 61.787 62.100 -0.483 0.000 1.075 181 T CB 0.943 69.424 68.868 -0.645 0.000 0.986 181 T HN 0.594 nan 8.240 nan 0.000 0.523 182 D N 1.944 122.089 120.400 -0.426 0.000 2.479 182 D HA 0.076 4.716 4.640 -0.000 0.000 0.218 182 D C 0.460 176.701 176.300 -0.099 0.000 1.177 182 D CA -0.376 53.473 54.000 -0.252 0.000 0.830 182 D CB -0.566 40.175 40.800 -0.100 0.000 1.014 182 D HN 0.572 nan 8.370 nan 0.000 0.503 183 F N 0.549 120.442 119.950 -0.095 0.000 2.973 183 F HA -0.330 4.196 4.527 -0.000 0.000 0.299 183 F C 2.029 177.800 175.800 -0.048 0.000 0.737 183 F CA 0.705 58.662 58.000 -0.072 0.000 1.151 183 F CB -2.559 36.394 39.000 -0.078 0.000 1.440 183 F HN 0.167 nan 8.300 nan 0.000 0.367 184 S N -1.075 114.656 115.700 0.051 0.000 2.356 184 S HA -0.039 4.431 4.470 -0.000 0.000 0.223 184 S C 1.059 175.681 174.600 0.036 0.000 1.032 184 S CA 1.451 59.673 58.200 0.036 0.000 1.005 184 S CB -0.323 62.873 63.200 -0.006 0.000 0.867 184 S HN 0.727 nan 8.310 nan 0.000 0.449 185 T N -3.575 110.985 114.554 0.010 0.000 2.864 185 T HA 0.546 4.896 4.350 -0.000 0.000 0.289 185 T C 0.715 175.416 174.700 0.001 0.000 1.082 185 T CA -0.191 61.920 62.100 0.018 0.000 1.009 185 T CB 1.228 70.092 68.868 -0.008 0.000 1.234 185 T HN -0.028 nan 8.240 nan 0.000 0.526 186 T N 0.325 114.898 114.554 0.032 0.000 2.737 186 T HA -0.073 4.277 4.350 -0.000 0.000 0.265 186 T C 1.708 176.305 174.700 -0.172 0.000 1.038 186 T CA 1.782 63.890 62.100 0.013 0.000 1.144 186 T CB -0.469 68.526 68.868 0.212 0.000 0.866 186 T HN 0.845 nan 8.240 nan 0.000 0.434 187 E N 1.340 121.352 120.200 -0.313 0.000 2.085 187 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 187 E C 2.277 178.727 176.600 -0.250 0.000 0.994 187 E CA 1.143 57.191 56.400 -0.587 0.000 0.801 187 E CB -0.191 29.039 29.700 -0.784 0.000 0.743 187 E HN 0.344 nan 8.360 nan 0.000 0.453 188 N N 0.159 118.754 118.700 -0.175 0.000 2.166 188 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 188 N C 1.848 177.251 175.510 -0.179 0.000 1.019 188 N CA 1.496 54.460 53.050 -0.143 0.000 0.856 188 N CB -0.284 38.129 38.487 -0.124 0.000 0.993 188 N HN 0.274 nan 8.380 nan 0.000 0.426 189 G N 0.034 108.736 108.800 -0.163 0.000 2.650 189 G HA2 0.042 4.002 3.960 -0.000 0.000 0.214 189 G HA3 0.042 4.002 3.960 -0.000 0.000 0.214 189 G C 1.649 176.507 174.900 -0.069 0.000 1.136 189 G CA -0.008 45.026 45.100 -0.111 0.000 0.789 189 G HN 0.303 nan 8.290 nan 0.000 0.536 190 I N -1.361 119.064 120.570 -0.242 0.000 2.729 190 I HA 0.099 4.269 4.170 -0.000 0.000 0.256 190 I C 1.556 177.376 176.117 -0.495 0.000 1.115 190 I CA 0.465 61.517 61.300 -0.414 0.000 1.446 190 I CB 0.188 37.771 38.000 -0.695 0.000 1.176 190 I HN 0.061 nan 8.210 nan 0.000 0.446 191 Y N 1.296 121.482 120.300 -0.190 0.000 2.466 191 Y HA 0.229 4.779 4.550 -0.000 0.000 0.272 191 Y C 0.543 176.231 175.900 -0.354 0.000 1.169 191 Y CA 0.045 57.950 58.100 -0.324 0.000 1.285 191 Y CB -0.051 38.228 38.460 -0.301 0.000 1.078 191 Y HN -0.073 nan 8.280 nan 0.000 0.523 192 K N -0.294 120.019 120.400 -0.146 0.000 2.259 192 K HA 0.499 4.819 4.320 -0.000 0.000 0.249 192 K C 0.309 176.804 176.600 -0.174 0.000 0.942 192 K CA -0.890 55.307 56.287 -0.149 0.000 0.816 192 K CB 1.730 34.126 32.500 -0.173 0.000 1.155 192 K HN 0.113 nan 8.250 nan 0.000 0.428 193 G N 1.324 110.035 108.800 -0.148 0.000 2.414 193 G HA2 0.086 4.046 3.960 -0.000 0.000 0.236 193 G HA3 0.086 4.046 3.960 -0.000 0.000 0.236 193 G C -0.587 174.105 174.900 -0.347 0.000 1.293 193 G CA -0.263 44.721 45.100 -0.193 0.000 0.869 193 G HN 0.395 nan 8.290 nan 0.000 0.556 194 L N 3.761 124.738 121.223 -0.410 0.000 2.295 194 L HA 0.453 4.792 4.340 -0.000 0.000 0.288 194 L C 0.410 176.997 176.870 -0.471 0.000 1.079 194 L CA -0.077 54.368 54.840 -0.658 0.000 0.830 194 L CB -1.282 40.348 42.059 -0.715 0.000 1.200 194 L HN 0.875 nan 8.230 nan 0.000 0.438 195 Y N 1.655 121.792 120.300 -0.271 0.000 2.887 195 Y HA -0.411 4.139 4.550 -0.000 0.000 0.467 195 Y C 1.012 176.799 175.900 -0.188 0.000 1.191 195 Y CA 1.215 59.198 58.100 -0.194 0.000 2.537 195 Y CB -0.901 37.463 38.460 -0.160 0.000 1.225 195 Y HN 0.727 nan 8.280 nan 0.000 0.630 196 D N 1.236 121.668 120.400 0.053 0.000 2.424 196 D HA 0.211 4.851 4.640 -0.000 0.000 0.220 196 D C -0.454 175.772 176.300 -0.122 0.000 1.150 196 D CA 0.176 54.150 54.000 -0.044 0.000 0.831 196 D CB -0.345 40.475 40.800 0.032 0.000 0.981 196 D HN 0.337 nan 8.370 nan 0.000 0.500 197 L N 1.226 122.364 121.223 -0.142 0.000 2.331 197 L HA 0.407 4.747 4.340 -0.000 0.000 0.278 197 L C 0.776 177.519 176.870 -0.212 0.000 1.106 197 L CA -0.918 53.814 54.840 -0.181 0.000 0.824 197 L CB 1.122 43.016 42.059 -0.276 0.000 1.142 197 L HN -0.018 nan 8.230 nan 0.000 0.443 198 A N 2.562 125.245 122.820 -0.227 0.000 2.505 198 A HA 0.020 4.340 4.320 -0.000 0.000 0.271 198 A C -0.086 177.555 177.584 0.094 0.000 1.112 198 A CA -0.189 51.673 52.037 -0.291 0.000 0.781 198 A CB -0.389 18.385 19.000 -0.377 0.000 1.059 198 A HN 0.740 nan 8.150 nan 0.000 0.508 199 D N 2.682 123.118 120.400 0.059 0.000 2.339 199 D HA 0.361 5.001 4.640 -0.000 0.000 0.256 199 D C 0.068 176.389 176.300 0.035 0.000 1.214 199 D CA 0.138 54.196 54.000 0.096 0.000 0.877 199 D CB 0.323 41.182 40.800 0.097 0.000 1.111 199 D HN 0.487 nan 8.370 nan 0.000 0.478 200 L N 3.450 124.593 121.223 -0.134 0.000 2.439 200 L HA 0.153 4.493 4.340 -0.000 0.000 0.269 200 L C 0.578 176.943 176.870 -0.842 0.000 1.179 200 L CA -0.325 54.196 54.840 -0.531 0.000 0.828 200 L CB 0.458 42.125 42.059 -0.654 0.000 1.106 200 L HN 0.444 nan 8.230 nan 0.000 0.467 201 N N 0.588 118.757 118.700 -0.886 0.000 2.527 201 N HA 0.138 4.878 4.740 -0.000 0.000 0.236 201 N C 0.309 175.425 175.510 -0.655 0.000 0.999 201 N CA -0.311 52.243 53.050 -0.828 0.000 0.935 201 N CB 0.458 38.605 38.487 -0.567 0.000 1.132 201 N HN 0.412 nan 8.380 nan 0.000 0.511 202 H N 1.131 119.904 119.070 -0.495 0.000 2.556 202 H HA 0.058 4.614 4.556 -0.000 0.000 0.268 202 H C 1.046 176.214 175.328 -0.266 0.000 0.996 202 H CA 0.432 56.105 56.048 -0.624 0.000 1.157 202 H CB 0.182 29.120 29.762 -1.373 0.000 1.355 202 H HN 0.560 nan 8.280 nan 0.000 0.597 203 N N 0.513 119.196 118.700 -0.028 0.000 2.463 203 N HA -0.108 4.632 4.740 -0.000 0.000 0.181 203 N C 0.164 175.693 175.510 0.032 0.000 1.078 203 N CA -0.014 53.083 53.050 0.079 0.000 0.902 203 N CB 0.146 38.715 38.487 0.136 0.000 0.970 203 N HN 0.155 nan 8.380 nan 0.000 0.451 204 N N 0.179 118.848 118.700 -0.052 0.000 2.458 204 N HA 0.044 4.784 4.740 -0.000 0.000 0.270 204 N C 0.174 175.677 175.510 -0.012 0.000 1.102 204 N CA 0.175 53.193 53.050 -0.055 0.000 0.967 204 N CB 1.163 39.567 38.487 -0.138 0.000 1.078 204 N HN 0.045 nan 8.380 nan 0.000 0.471 205 S N 2.299 118.014 115.700 0.025 0.000 2.399 205 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 205 S C 1.630 176.264 174.600 0.058 0.000 1.022 205 S CA 1.440 59.677 58.200 0.062 0.000 0.983 205 S CB -0.073 63.161 63.200 0.058 0.000 0.803 205 S HN 0.706 nan 8.310 nan 0.000 0.480 206 T N 2.006 116.568 114.554 0.014 0.000 2.746 206 T HA -0.049 4.301 4.350 -0.000 0.000 0.267 206 T C 1.948 176.667 174.700 0.032 0.000 1.039 206 T CA 1.230 63.337 62.100 0.011 0.000 1.142 206 T CB -0.379 68.461 68.868 -0.047 0.000 0.866 206 T HN 0.206 nan 8.240 nan 0.000 0.444 207 V N 1.667 121.553 119.914 -0.047 0.000 2.307 207 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 207 V C 2.380 178.531 176.094 0.096 0.000 1.045 207 V CA 1.955 64.213 62.300 -0.069 0.000 1.024 207 V CB -0.653 30.980 31.823 -0.317 0.000 0.651 207 V HN 0.487 nan 8.190 nan 0.000 0.449 208 D N 0.309 120.791 120.400 0.137 0.000 2.103 208 D HA -0.181 4.459 4.640 -0.000 0.000 0.190 208 D C 1.973 178.489 176.300 0.361 0.000 0.997 208 D CA 1.977 56.203 54.000 0.378 0.000 0.833 208 D CB -0.155 40.866 40.800 0.369 0.000 0.961 208 D HN 0.196 nan 8.370 nan 0.000 0.447 209 V N -0.174 119.881 119.914 0.235 0.000 2.427 209 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 209 V C 2.134 178.344 176.094 0.193 0.000 1.051 209 V CA 1.785 64.194 62.300 0.182 0.000 1.048 209 V CB -0.939 30.963 31.823 0.131 0.000 0.666 209 V HN 0.335 nan 8.190 nan 0.000 0.456 210 Y N 0.790 121.149 120.300 0.099 0.000 2.128 210 Y HA -0.224 4.326 4.550 -0.000 0.000 0.284 210 Y C 2.177 178.163 175.900 0.145 0.000 1.154 210 Y CA 1.720 59.876 58.100 0.094 0.000 1.149 210 Y CB -0.310 38.178 38.460 0.046 0.000 0.976 210 Y HN 0.149 nan 8.280 nan 0.000 0.505 211 L N -0.015 121.273 121.223 0.108 0.000 2.141 211 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 211 L C 2.291 179.340 176.870 0.297 0.000 1.094 211 L CA 1.492 56.416 54.840 0.140 0.000 0.763 211 L CB -0.443 41.842 42.059 0.377 0.000 0.908 211 L HN 0.164 nan 8.230 nan 0.000 0.437 212 K N -0.491 120.060 120.400 0.251 0.000 2.228 212 K HA -0.091 4.229 4.320 -0.000 0.000 0.202 212 K C 1.381 177.953 176.600 -0.047 0.000 1.051 212 K CA 0.770 57.104 56.287 0.078 0.000 0.960 212 K CB 0.049 32.569 32.500 0.034 0.000 0.743 212 K HN 0.230 nan 8.250 nan 0.000 0.458 213 D N 0.693 121.072 120.400 -0.036 0.000 2.213 213 D HA -0.010 4.630 4.640 -0.000 0.000 0.205 213 D C 1.823 178.080 176.300 -0.071 0.000 0.961 213 D CA 0.707 54.659 54.000 -0.080 0.000 0.853 213 D CB 0.099 40.873 40.800 -0.044 0.000 0.967 213 D HN 0.121 nan 8.370 nan 0.000 0.496 214 A N 1.083 123.862 122.820 -0.069 0.000 1.877 214 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 214 A C 2.191 179.910 177.584 0.225 0.000 1.186 214 A CA 0.891 52.961 52.037 0.055 0.000 0.620 214 A CB -0.632 18.390 19.000 0.037 0.000 0.822 214 A HN 0.197 nan 8.150 nan 0.000 0.443 215 I N -0.156 120.510 120.570 0.160 0.000 2.361 215 I HA -0.180 3.990 4.170 -0.000 0.000 0.251 215 I C 2.029 178.171 176.117 0.042 0.000 1.133 215 I CA 1.553 62.868 61.300 0.025 0.000 1.413 215 I CB -0.246 37.664 38.000 -0.150 0.000 1.073 215 I HN 0.252 nan 8.210 nan 0.000 0.424 216 K N -0.404 119.973 120.400 -0.039 0.000 2.211 216 K HA -0.171 4.149 4.320 -0.000 0.000 0.203 216 K C 2.110 178.723 176.600 0.022 0.000 1.050 216 K CA 1.595 57.849 56.287 -0.055 0.000 0.945 216 K CB -0.260 32.046 32.500 -0.323 0.000 0.732 216 K HN 0.432 nan 8.250 nan 0.000 0.451 217 M N -0.313 119.254 119.600 -0.055 0.000 2.086 217 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 217 M C 1.238 177.399 176.300 -0.231 0.000 1.067 217 M CA 1.804 56.989 55.300 -0.191 0.000 1.116 217 M CB -0.129 32.251 32.600 -0.367 0.000 1.348 217 M HN 0.178 nan 8.290 nan 0.000 0.407 218 W N 0.647 121.956 121.300 0.014 0.000 2.425 218 W HA -0.044 4.616 4.660 0.000 0.000 0.277 218 W C 2.013 178.580 176.519 0.081 0.000 1.231 218 W CA 0.573 57.934 57.345 0.027 0.000 1.248 218 W CB -0.490 28.950 29.460 -0.033 0.000 1.117 218 W HN 0.201 nan 8.180 nan 0.000 0.568 219 L N -0.065 121.303 121.223 0.241 0.000 2.093 219 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 219 L C 1.806 178.773 176.870 0.162 0.000 1.085 219 L CA 1.128 56.088 54.840 0.200 0.000 0.755 219 L CB -0.660 41.530 42.059 0.219 0.000 0.904 219 L HN -0.081 nan 8.230 nan 0.000 0.435 220 D N 0.028 120.518 120.400 0.150 0.000 2.269 220 D HA -0.080 4.560 4.640 -0.000 0.000 0.208 220 D C 2.211 178.559 176.300 0.079 0.000 0.963 220 D CA 0.904 54.964 54.000 0.101 0.000 0.864 220 D CB 0.099 40.953 40.800 0.090 0.000 0.936 220 D HN 0.317 nan 8.370 nan 0.000 0.505 221 L N -0.413 120.874 121.223 0.107 0.000 2.552 221 L HA 0.100 4.440 4.340 -0.000 0.000 0.227 221 L C 1.338 178.307 176.870 0.165 0.000 1.146 221 L CA 0.504 55.434 54.840 0.152 0.000 0.858 221 L CB -0.054 42.163 42.059 0.263 0.000 0.969 221 L HN 0.120 nan 8.230 nan 0.000 0.451 222 G N 1.038 109.936 108.800 0.163 0.000 2.131 222 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.201 222 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.201 222 G C 0.344 175.360 174.900 0.194 0.000 1.000 222 G CA 0.085 45.277 45.100 0.152 0.000 0.680 222 G HN 0.400 nan 8.290 nan 0.000 0.514 223 I N -2.604 118.108 120.570 0.238 0.000 2.938 223 I HA 0.443 4.613 4.170 -0.000 0.000 0.285 223 I C 0.632 176.894 176.117 0.241 0.000 1.182 223 I CA -0.101 61.346 61.300 0.245 0.000 1.388 223 I CB 0.593 38.765 38.000 0.286 0.000 1.390 223 I HN -0.079 nan 8.210 nan 0.000 0.600 224 D N 2.957 123.526 120.400 0.283 0.000 2.392 224 D HA 0.246 4.886 4.640 -0.000 0.000 0.206 224 D C 0.659 177.199 176.300 0.400 0.000 1.046 224 D CA 0.417 54.620 54.000 0.339 0.000 0.865 224 D CB 1.197 42.229 40.800 0.387 0.000 0.969 224 D HN 0.840 nan 8.370 nan 0.000 0.509 225 G N 0.235 109.199 108.800 0.274 0.000 2.649 225 G HA2 0.634 4.594 3.960 -0.000 0.000 0.290 225 G HA3 0.634 4.594 3.960 -0.000 0.000 0.290 225 G C -1.686 173.231 174.900 0.029 0.000 1.426 225 G CA -0.613 44.567 45.100 0.133 0.000 0.794 225 G HN -0.007 nan 8.290 nan 0.000 0.483 226 I N 0.254 120.765 120.570 -0.098 0.000 2.571 226 I HA 0.432 4.602 4.170 -0.000 0.000 0.289 226 I C -0.387 175.395 176.117 -0.558 0.000 1.115 226 I CA -0.740 60.435 61.300 -0.207 0.000 1.045 226 I CB 2.581 40.514 38.000 -0.111 0.000 1.238 226 I HN 0.305 nan 8.210 nan 0.000 0.424 227 R N 7.007 127.090 120.500 -0.695 0.000 2.215 227 R HA 0.474 4.814 4.340 -0.000 0.000 0.336 227 R C -0.895 175.134 176.300 -0.452 0.000 0.996 227 R CA -0.753 54.666 56.100 -1.134 0.000 0.847 227 R CB 0.948 30.382 30.300 -1.443 0.000 1.127 227 R HN 0.538 nan 8.270 nan 0.000 0.465 228 M N 3.140 122.542 119.600 -0.330 0.000 2.184 228 M HA 0.060 4.540 4.480 -0.000 0.000 0.351 228 M C -0.179 176.118 176.300 -0.005 0.000 1.395 228 M CA -0.150 55.115 55.300 -0.058 0.000 1.117 228 M CB 0.647 33.248 32.600 0.001 0.000 1.708 228 M HN 0.480 nan 8.290 nan 0.000 0.468 229 D N 2.670 123.117 120.400 0.079 0.000 2.302 229 D HA 0.456 5.096 4.640 -0.000 0.000 0.248 229 D C 0.296 176.657 176.300 0.101 0.000 1.094 229 D CA 0.266 54.343 54.000 0.128 0.000 0.897 229 D CB 0.822 41.747 40.800 0.209 0.000 1.200 229 D HN 0.824 nan 8.370 nan 0.000 0.429 230 A N 2.662 125.547 122.820 0.107 0.000 2.511 230 A HA -0.174 4.146 4.320 -0.000 0.000 0.297 230 A C 1.479 179.060 177.584 -0.005 0.000 1.476 230 A CA 0.986 53.089 52.037 0.111 0.000 0.757 230 A CB -2.258 16.889 19.000 0.245 0.000 1.072 230 A HN 1.097 nan 8.150 nan 0.000 0.413 231 V N -1.685 118.181 119.914 -0.080 0.000 2.913 231 V HA -0.120 4.000 4.120 -0.000 0.000 0.260 231 V C 1.881 177.759 176.094 -0.361 0.000 1.098 231 V CA 2.405 64.629 62.300 -0.126 0.000 1.121 231 V CB -0.597 31.173 31.823 -0.088 0.000 0.714 231 V HN 0.731 nan 8.190 nan 0.000 0.487 232 K N -0.590 119.405 120.400 -0.676 0.000 2.432 232 K HA -0.085 4.235 4.320 -0.000 0.000 0.196 232 K C 1.413 177.469 176.600 -0.907 0.000 1.038 232 K CA 0.962 56.503 56.287 -1.243 0.000 0.986 232 K CB -0.106 31.359 32.500 -1.725 0.000 0.782 232 K HN 0.690 nan 8.250 nan 0.000 0.485 233 H N -0.580 118.310 119.070 -0.300 0.000 2.592 233 H HA 0.256 4.812 4.556 -0.000 0.000 0.279 233 H C -0.153 175.037 175.328 -0.230 0.000 1.089 233 H CA 0.014 55.911 56.048 -0.251 0.000 1.150 233 H CB 0.279 29.928 29.762 -0.188 0.000 1.575 233 H HN 0.135 nan 8.280 nan 0.000 0.547 234 M N 0.750 120.271 119.600 -0.132 0.000 2.602 234 M HA 0.372 4.852 4.480 -0.000 0.000 0.312 234 M C -2.605 173.582 176.300 -0.189 0.000 1.181 234 M CA -1.972 53.237 55.300 -0.151 0.000 0.910 234 M CB 2.552 35.090 32.600 -0.102 0.000 1.723 234 M HN -0.234 nan 8.290 nan 0.000 0.459 235 P HA -0.000 nan 4.420 nan 0.000 0.264 235 P C -0.191 177.178 177.300 0.116 0.000 1.193 235 P CA 0.126 63.125 63.100 -0.170 0.000 0.763 235 P CB 0.154 31.874 31.700 0.034 0.000 0.810 236 F N 2.199 122.273 119.950 0.207 0.000 2.234 236 F HA -0.030 4.497 4.527 -0.000 0.000 0.299 236 F C 2.451 178.377 175.800 0.210 0.000 1.087 236 F CA 1.402 59.608 58.000 0.344 0.000 1.340 236 F CB -2.032 37.236 39.000 0.446 0.000 1.031 236 F HN 0.356 nan 8.300 nan 0.000 0.500 237 G N -0.961 107.998 108.800 0.264 0.000 2.418 237 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.217 237 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.217 237 G C 1.582 176.613 174.900 0.218 0.000 1.158 237 G CA 0.671 45.892 45.100 0.200 0.000 0.771 237 G HN 0.483 nan 8.290 nan 0.000 0.545 238 W N 1.376 122.734 121.300 0.098 0.000 2.381 238 W HA -0.040 4.620 4.660 -0.000 0.000 0.301 238 W C 2.823 179.416 176.519 0.124 0.000 1.205 238 W CA 1.608 59.010 57.345 0.094 0.000 1.285 238 W CB -0.084 29.392 29.460 0.026 0.000 1.133 238 W HN 0.286 nan 8.180 nan 0.000 0.521 239 Q N 0.210 120.108 119.800 0.164 0.000 2.170 239 Q HA -0.253 4.087 4.340 -0.000 0.000 0.203 239 Q C 2.172 178.155 176.000 -0.029 0.000 0.976 239 Q CA 1.764 57.580 55.803 0.021 0.000 0.858 239 Q CB -0.458 28.482 28.738 0.336 0.000 0.907 239 Q HN 0.359 nan 8.270 nan 0.000 0.433 240 K N 0.812 121.213 120.400 0.002 0.000 2.097 240 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 240 K C 2.258 178.808 176.600 -0.083 0.000 1.050 240 K CA 1.494 57.754 56.287 -0.045 0.000 0.938 240 K CB -0.007 32.486 32.500 -0.013 0.000 0.718 240 K HN 0.186 nan 8.250 nan 0.000 0.442 241 S N -0.192 115.434 115.700 -0.124 0.000 2.428 241 S HA -0.130 4.340 4.470 -0.000 0.000 0.230 241 S C 1.808 176.257 174.600 -0.251 0.000 1.014 241 S CA 0.447 58.553 58.200 -0.156 0.000 0.957 241 S CB -0.466 62.656 63.200 -0.131 0.000 0.784 241 S HN 0.433 nan 8.310 nan 0.000 0.499 242 F N 1.810 121.425 119.950 -0.559 0.000 2.234 242 F HA 0.222 4.749 4.527 -0.000 0.000 0.296 242 F C 2.180 177.806 175.800 -0.289 0.000 1.089 242 F CA 1.015 58.674 58.000 -0.569 0.000 1.343 242 F CB -0.200 38.236 39.000 -0.941 0.000 1.040 242 F HN 0.098 nan 8.300 nan 0.000 0.498 243 M N 0.312 119.879 119.600 -0.055 0.000 2.296 243 M HA -0.018 4.462 4.480 -0.000 0.000 0.265 243 M C 2.388 178.603 176.300 -0.142 0.000 1.064 243 M CA 1.266 56.523 55.300 -0.071 0.000 1.109 243 M CB -1.800 30.789 32.600 -0.018 0.000 1.396 243 M HN 0.326 nan 8.290 nan 0.000 0.430 244 A N -0.173 122.560 122.820 -0.146 0.000 1.968 244 A HA 0.127 4.447 4.320 -0.000 0.000 0.217 244 A C 2.397 179.897 177.584 -0.139 0.000 1.169 244 A CA 1.570 53.537 52.037 -0.117 0.000 0.638 244 A CB -0.669 18.276 19.000 -0.092 0.000 0.812 244 A HN 0.433 nan 8.150 nan 0.000 0.446 245 A N -0.438 122.243 122.820 -0.231 0.000 1.902 245 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 245 A C 2.212 179.666 177.584 -0.217 0.000 1.181 245 A CA 1.781 53.668 52.037 -0.249 0.000 0.623 245 A CB -0.815 17.956 19.000 -0.380 0.000 0.818 245 A HN 0.339 nan 8.150 nan 0.000 0.443 246 V N 0.911 120.643 119.914 -0.302 0.000 2.270 246 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 246 V C 2.164 178.233 176.094 -0.041 0.000 1.043 246 V CA 2.076 64.269 62.300 -0.178 0.000 1.014 246 V CB -0.923 30.761 31.823 -0.233 0.000 0.645 246 V HN 0.539 nan 8.190 nan 0.000 0.447 247 N N 0.850 119.518 118.700 -0.052 0.000 2.309 247 N HA -0.090 4.650 4.740 -0.000 0.000 0.182 247 N C 1.382 176.899 175.510 0.012 0.000 1.018 247 N CA 0.917 53.963 53.050 -0.007 0.000 0.876 247 N CB -0.437 38.042 38.487 -0.012 0.000 0.972 247 N HN 0.463 nan 8.380 nan 0.000 0.434 248 N N -0.481 118.225 118.700 0.010 0.000 2.398 248 N HA -0.044 4.696 4.740 -0.000 0.000 0.188 248 N C 0.722 176.288 175.510 0.094 0.000 1.122 248 N CA 0.149 53.218 53.050 0.031 0.000 0.866 248 N CB 0.278 38.770 38.487 0.009 0.000 0.970 248 N HN 0.352 nan 8.380 nan 0.000 0.462 249 Y N 0.819 121.085 120.300 -0.057 0.000 2.763 249 Y HA 0.350 4.900 4.550 -0.000 0.000 0.230 249 Y C -0.324 175.559 175.900 -0.029 0.000 1.030 249 Y CA 0.552 58.623 58.100 -0.049 0.000 1.462 249 Y CB 0.607 39.024 38.460 -0.072 0.000 1.299 249 Y HN -0.338 nan 8.280 nan 0.000 0.491 250 K N 1.730 122.043 120.400 -0.144 0.000 2.675 250 K HA 0.331 4.651 4.320 -0.000 0.000 0.224 250 K C -2.898 173.686 176.600 -0.026 0.000 1.003 250 K CA -2.053 54.117 56.287 -0.195 0.000 1.034 250 K CB 1.801 34.125 32.500 -0.294 0.000 1.218 250 K HN 0.038 nan 8.250 nan 0.000 0.507 251 P HA -0.058 nan 4.420 nan 0.000 0.264 251 P C -0.802 176.550 177.300 0.086 0.000 1.193 251 P CA -0.249 62.880 63.100 0.048 0.000 0.763 251 P CB 0.648 32.386 31.700 0.062 0.000 0.810 252 V N 1.067 121.048 119.914 0.112 0.000 2.888 252 V HA 0.497 4.617 4.120 -0.000 0.000 0.309 252 V C -0.629 175.592 176.094 0.211 0.000 1.114 252 V CA -1.327 61.081 62.300 0.180 0.000 0.940 252 V CB 1.666 33.581 31.823 0.154 0.000 1.021 252 V HN 0.283 nan 8.190 nan 0.000 0.426 253 F N 3.002 123.039 119.950 0.146 0.000 2.590 253 F HA 0.525 5.052 4.527 -0.000 0.000 0.389 253 F C 0.467 176.288 175.800 0.035 0.000 1.049 253 F CA 1.080 59.135 58.000 0.091 0.000 1.199 253 F CB 0.180 39.199 39.000 0.031 0.000 1.058 253 F HN 0.789 nan 8.300 nan 0.000 0.556 254 T N 8.181 122.454 114.554 -0.468 0.000 2.861 254 T HA 0.606 4.956 4.350 -0.000 0.000 0.287 254 T C -1.207 173.259 174.700 -0.390 0.000 1.003 254 T CA -0.313 61.574 62.100 -0.355 0.000 0.977 254 T CB 1.030 69.817 68.868 -0.135 0.000 0.996 254 T HN 0.402 nan 8.240 nan 0.000 0.448 255 F N -0.380 119.287 119.950 -0.472 0.000 2.591 255 F HA 0.879 5.406 4.527 -0.000 0.000 0.309 255 F C -0.069 175.660 175.800 -0.117 0.000 1.098 255 F CA -1.442 56.376 58.000 -0.303 0.000 0.937 255 F CB 0.949 39.740 39.000 -0.348 0.000 1.250 255 F HN 0.709 nan 8.300 nan 0.000 0.447 256 G N 0.666 109.523 108.800 0.094 0.000 2.509 256 G HA2 0.474 4.434 3.960 -0.000 0.000 0.328 256 G HA3 0.474 4.434 3.960 -0.000 0.000 0.328 256 G C -1.727 173.280 174.900 0.179 0.000 1.194 256 G CA -0.845 44.298 45.100 0.073 0.000 0.967 256 G HN 0.894 nan 8.290 nan 0.000 0.488 257 E N 0.585 120.874 120.200 0.149 0.000 2.081 257 E HA 0.111 4.461 4.350 -0.000 0.000 0.281 257 E C -1.262 175.434 176.600 0.160 0.000 0.986 257 E CA -0.764 55.788 56.400 0.253 0.000 0.796 257 E CB 0.797 30.651 29.700 0.257 0.000 1.085 257 E HN 0.462 nan 8.360 nan 0.000 0.398 258 W N 8.004 129.290 121.300 -0.022 0.000 2.394 258 W HA 0.250 4.910 4.660 -0.000 0.000 0.312 258 W C -1.509 174.759 176.519 -0.418 0.000 0.981 258 W CA -1.422 55.817 57.345 -0.177 0.000 1.519 258 W CB 0.107 29.479 29.460 -0.146 0.000 1.304 258 W HN 0.464 nan 8.180 nan 0.000 0.412 259 F N 5.479 125.115 119.950 -0.523 0.000 2.602 259 F HA 0.174 4.701 4.527 -0.000 0.000 0.385 259 F C -0.248 175.340 175.800 -0.353 0.000 1.063 259 F CA 0.857 58.292 58.000 -0.942 0.000 1.233 259 F CB 0.513 39.175 39.000 -0.564 0.000 1.067 259 F HN 0.125 nan 8.300 nan 0.000 0.564 260 L N 5.415 126.510 121.223 -0.213 0.000 2.386 260 L HA 0.560 4.900 4.340 -0.000 0.000 0.271 260 L C 0.514 177.556 176.870 0.286 0.000 0.993 260 L CA -0.853 54.102 54.840 0.192 0.000 0.819 260 L CB 1.766 43.955 42.059 0.215 0.000 1.294 260 L HN 0.707 nan 8.230 nan 0.000 0.414 261 G N 1.378 110.352 108.800 0.288 0.000 2.543 261 G HA2 0.469 4.429 3.960 -0.000 0.000 0.290 261 G HA3 0.469 4.429 3.960 -0.000 0.000 0.290 261 G C -0.248 174.763 174.900 0.186 0.000 1.310 261 G CA -0.562 44.701 45.100 0.272 0.000 1.025 261 G HN 0.279 nan 8.290 nan 0.000 0.502 262 V N 1.699 121.700 119.914 0.146 0.000 2.673 262 V HA 0.023 4.143 4.120 -0.000 0.000 0.303 262 V C 0.837 176.980 176.094 0.081 0.000 1.046 262 V CA 0.206 62.566 62.300 0.100 0.000 1.126 262 V CB 0.757 32.623 31.823 0.072 0.000 0.934 262 V HN 0.901 nan 8.190 nan 0.000 0.487 263 N N 1.685 120.427 118.700 0.069 0.000 2.753 263 N HA -0.193 4.547 4.740 -0.000 0.000 0.251 263 N C 0.304 175.854 175.510 0.067 0.000 1.097 263 N CA 1.359 54.444 53.050 0.058 0.000 0.786 263 N CB -0.510 38.002 38.487 0.042 0.000 1.137 263 N HN 0.940 nan 8.380 nan 0.000 0.566 264 E N 0.887 121.139 120.200 0.088 0.000 2.146 264 E HA 0.392 4.742 4.350 -0.000 0.000 0.282 264 E C -0.846 175.803 176.600 0.081 0.000 0.989 264 E CA -0.424 56.028 56.400 0.086 0.000 0.799 264 E CB 1.061 30.828 29.700 0.111 0.000 1.088 264 E HN -0.029 nan 8.360 nan 0.000 0.397 265 V N 3.917 123.858 119.914 0.044 0.000 2.349 265 V HA 0.196 4.316 4.120 -0.000 0.000 0.284 265 V C -0.190 175.840 176.094 -0.107 0.000 1.014 265 V CA -0.688 61.617 62.300 0.008 0.000 0.826 265 V CB 1.412 33.264 31.823 0.048 0.000 1.009 265 V HN 0.565 nan 8.190 nan 0.000 0.431 266 S N 6.113 121.670 115.700 -0.239 0.000 2.429 266 S HA 0.494 4.964 4.470 -0.000 0.000 0.302 266 S C -1.616 172.606 174.600 -0.629 0.000 1.115 266 S CA -1.481 56.539 58.200 -0.300 0.000 1.095 266 S CB 1.802 64.894 63.200 -0.180 0.000 0.987 266 S HN 0.512 nan 8.310 nan 0.000 0.474 267 P HA -0.030 nan 4.420 nan 0.000 0.220 267 P C 0.808 177.937 177.300 -0.285 0.000 1.148 267 P CA 0.915 63.797 63.100 -0.364 0.000 0.803 267 P CB 0.211 31.840 31.700 -0.119 0.000 0.782 268 E N -0.682 119.384 120.200 -0.222 0.000 2.107 268 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 268 E C 2.009 178.272 176.600 -0.561 0.000 0.982 268 E CA 0.629 56.931 56.400 -0.164 0.000 0.809 268 E CB -0.555 29.224 29.700 0.132 0.000 0.756 268 E HN 0.241 nan 8.360 nan 0.000 0.459 269 N N 1.094 119.225 118.700 -0.948 0.000 2.104 269 N HA -0.212 4.528 4.740 -0.000 0.000 0.190 269 N C 1.532 176.788 175.510 -0.424 0.000 1.024 269 N CA 1.503 53.772 53.050 -1.301 0.000 0.853 269 N CB -0.125 37.683 38.487 -1.132 0.000 1.008 269 N HN 0.423 nan 8.380 nan 0.000 0.424 270 H N 0.063 118.922 119.070 -0.351 0.000 2.326 270 H HA -0.046 4.510 4.556 -0.000 0.000 0.301 270 H C 2.169 177.414 175.328 -0.140 0.000 1.081 270 H CA 1.155 57.028 56.048 -0.292 0.000 1.334 270 H CB 0.080 29.618 29.762 -0.373 0.000 1.385 270 H HN 0.222 nan 8.280 nan 0.000 0.504 271 K N 0.715 121.111 120.400 -0.006 0.000 2.147 271 K HA -0.181 4.139 4.320 -0.000 0.000 0.205 271 K C 1.932 178.534 176.600 0.003 0.000 1.049 271 K CA 1.166 57.456 56.287 0.005 0.000 0.936 271 K CB -0.109 32.401 32.500 0.017 0.000 0.722 271 K HN 0.166 nan 8.250 nan 0.000 0.446 272 F N 0.821 120.653 119.950 -0.197 0.000 2.186 272 F HA -0.053 4.474 4.527 -0.000 0.000 0.299 272 F C 1.922 177.697 175.800 -0.042 0.000 1.090 272 F CA 1.310 59.200 58.000 -0.184 0.000 1.307 272 F CB -0.181 38.622 39.000 -0.328 0.000 1.019 272 F HN 0.050 nan 8.300 nan 0.000 0.489 273 A N 0.031 122.964 122.820 0.189 0.000 2.014 273 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 273 A C 1.846 179.482 177.584 0.086 0.000 1.163 273 A CA 1.534 53.689 52.037 0.197 0.000 0.652 273 A CB -0.622 18.613 19.000 0.392 0.000 0.808 273 A HN 0.470 nan 8.150 nan 0.000 0.449 274 N N 0.134 118.866 118.700 0.054 0.000 2.415 274 N HA -0.041 4.699 4.740 -0.000 0.000 0.176 274 N C 0.794 176.286 175.510 -0.029 0.000 1.042 274 N CA 1.334 54.400 53.050 0.025 0.000 0.902 274 N CB 0.070 38.571 38.487 0.023 0.000 0.986 274 N HN 0.866 nan 8.380 nan 0.000 0.447 275 E N -0.924 119.226 120.200 -0.083 0.000 2.846 275 E HA 0.150 4.500 4.350 -0.000 0.000 0.211 275 E C 0.475 176.971 176.600 -0.172 0.000 0.975 275 E CA -0.030 56.311 56.400 -0.099 0.000 1.211 275 E CB 0.037 29.707 29.700 -0.050 0.000 1.052 275 E HN 0.091 nan 8.360 nan 0.000 0.487 276 S N 0.136 115.643 115.700 -0.322 0.000 2.470 276 S HA 0.322 4.792 4.470 -0.000 0.000 0.222 276 S C 1.750 176.185 174.600 -0.276 0.000 1.024 276 S CA 0.799 58.727 58.200 -0.454 0.000 0.931 276 S CB 0.339 62.820 63.200 -1.199 0.000 0.791 276 S HN 0.556 nan 8.310 nan 0.000 0.513 277 G N 1.257 109.934 108.800 -0.205 0.000 2.211 277 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.201 277 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.201 277 G C -0.068 174.780 174.900 -0.086 0.000 0.997 277 G CA 0.031 45.058 45.100 -0.122 0.000 0.652 277 G HN 0.895 nan 8.290 nan 0.000 0.500 278 M N 0.202 119.739 119.600 -0.106 0.000 2.690 278 M HA 0.853 5.333 4.480 -0.000 0.000 0.302 278 M C 0.377 176.678 176.300 0.002 0.000 1.234 278 M CA -0.284 54.986 55.300 -0.050 0.000 0.853 278 M CB 1.976 34.583 32.600 0.011 0.000 1.748 278 M HN 0.509 nan 8.290 nan 0.000 0.469 279 S N 1.143 116.844 115.700 0.002 0.000 2.647 279 S HA 0.877 5.347 4.470 -0.000 0.000 0.284 279 S C -0.391 174.317 174.600 0.181 0.000 1.134 279 S CA -0.841 57.403 58.200 0.073 0.000 1.027 279 S CB 0.927 64.150 63.200 0.038 0.000 1.180 279 S HN 0.749 nan 8.310 nan 0.000 0.521 280 L N -0.366 120.961 121.223 0.173 0.000 2.359 280 L HA 0.497 4.837 4.340 -0.000 0.000 0.256 280 L C -1.015 176.003 176.870 0.248 0.000 1.026 280 L CA -1.009 53.991 54.840 0.267 0.000 0.828 280 L CB 1.716 43.952 42.059 0.295 0.000 1.406 280 L HN 0.563 nan 8.230 nan 0.000 0.413 281 L N 1.376 122.832 121.223 0.387 0.000 2.410 281 L HA 0.097 4.437 4.340 -0.000 0.000 0.273 281 L C 0.143 177.284 176.870 0.453 0.000 1.152 281 L CA 0.030 55.105 54.840 0.393 0.000 0.855 281 L CB 0.290 42.594 42.059 0.408 0.000 1.129 281 L HN 0.490 nan 8.230 nan 0.000 0.463 282 D N 3.115 123.704 120.400 0.314 0.000 2.508 282 D HA 0.019 4.659 4.640 -0.000 0.000 0.224 282 D C 0.787 177.192 176.300 0.175 0.000 1.171 282 D CA 0.139 54.251 54.000 0.188 0.000 1.006 282 D CB 0.291 41.074 40.800 -0.029 0.000 1.073 282 D HN 0.290 nan 8.370 nan 0.000 0.513 283 F N 1.239 121.324 119.950 0.226 0.000 2.325 283 F HA 0.013 4.540 4.527 -0.000 0.000 0.299 283 F C 2.514 178.348 175.800 0.056 0.000 1.090 283 F CA 0.459 58.527 58.000 0.114 0.000 1.392 283 F CB 0.001 39.062 39.000 0.102 0.000 1.053 283 F HN 0.274 nan 8.300 nan 0.000 0.521 284 R N -0.452 120.231 120.500 0.304 0.000 2.092 284 R HA -0.199 4.141 4.340 -0.000 0.000 0.231 284 R C 2.256 178.664 176.300 0.179 0.000 1.119 284 R CA 1.511 57.755 56.100 0.240 0.000 0.970 284 R CB -0.559 29.921 30.300 0.301 0.000 0.864 284 R HN 0.299 nan 8.270 nan 0.000 0.440 285 F N 0.855 120.810 119.950 0.008 0.000 2.128 285 F HA 0.034 4.561 4.527 -0.000 0.000 0.295 285 F C 2.077 177.807 175.800 -0.116 0.000 1.100 285 F CA 1.321 59.304 58.000 -0.027 0.000 1.260 285 F CB -0.546 38.423 39.000 -0.052 0.000 1.009 285 F HN 0.078 nan 8.300 nan 0.000 0.476 286 A N 0.330 123.128 122.820 -0.036 0.000 1.883 286 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 286 A C 2.149 179.645 177.584 -0.148 0.000 1.186 286 A CA 1.784 53.623 52.037 -0.329 0.000 0.624 286 A CB -0.846 17.418 19.000 -1.228 0.000 0.822 286 A HN 0.533 nan 8.150 nan 0.000 0.444 287 Q N -0.593 119.164 119.800 -0.071 0.000 2.119 287 Q HA -0.177 4.163 4.340 -0.000 0.000 0.201 287 Q C 2.062 178.055 176.000 -0.011 0.000 0.972 287 Q CA 1.802 57.611 55.803 0.010 0.000 0.847 287 Q CB -0.349 28.437 28.738 0.079 0.000 0.903 287 Q HN 0.625 nan 8.270 nan 0.000 0.433 288 K N 0.795 121.166 120.400 -0.049 0.000 2.057 288 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 288 K C 1.980 178.503 176.600 -0.129 0.000 1.050 288 K CA 0.746 56.981 56.287 -0.088 0.000 0.935 288 K CB -0.352 32.083 32.500 -0.107 0.000 0.715 288 K HN -0.021 nan 8.250 nan 0.000 0.439 289 V N 1.072 120.892 119.914 -0.157 0.000 2.407 289 V HA -0.231 3.888 4.120 -0.000 0.000 0.248 289 V C 2.354 178.549 176.094 0.168 0.000 1.055 289 V CA 2.034 64.311 62.300 -0.037 0.000 1.049 289 V CB -0.449 31.348 31.823 -0.043 0.000 0.662 289 V HN 0.313 nan 8.190 nan 0.000 0.455 290 R N -0.495 120.085 120.500 0.133 0.000 2.081 290 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 290 R C 2.444 178.749 176.300 0.007 0.000 1.131 290 R CA 1.572 57.741 56.100 0.114 0.000 0.960 290 R CB -0.293 30.036 30.300 0.049 0.000 0.856 290 R HN 0.610 nan 8.270 nan 0.000 0.436 291 Q N -0.217 119.568 119.800 -0.025 0.000 2.124 291 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 291 Q C 2.085 178.023 176.000 -0.104 0.000 0.977 291 Q CA 1.463 57.231 55.803 -0.059 0.000 0.850 291 Q CB 0.162 28.866 28.738 -0.057 0.000 0.901 291 Q HN 0.201 nan 8.270 nan 0.000 0.429 292 V N -0.798 119.012 119.914 -0.172 0.000 2.599 292 V HA -0.107 4.013 4.120 -0.000 0.000 0.245 292 V C 1.353 177.207 176.094 -0.401 0.000 1.046 292 V CA 1.363 63.448 62.300 -0.358 0.000 1.065 292 V CB -0.222 31.234 31.823 -0.611 0.000 0.703 292 V HN 0.225 nan 8.190 nan 0.000 0.464 293 F N -0.504 119.436 119.950 -0.018 0.000 2.678 293 F HA 0.283 4.810 4.527 -0.000 0.000 0.291 293 F C 2.294 178.162 175.800 0.114 0.000 1.123 293 F CA 0.564 58.616 58.000 0.086 0.000 1.395 293 F CB 0.026 39.134 39.000 0.181 0.000 1.121 293 F HN -0.086 nan 8.300 nan 0.000 0.592 294 R N 0.198 120.771 120.500 0.121 0.000 2.064 294 R HA 0.040 4.380 4.340 -0.000 0.000 0.210 294 R C 1.210 177.429 176.300 -0.136 0.000 1.221 294 R CA 1.002 56.982 56.100 -0.201 0.000 1.055 294 R CB -0.033 29.833 30.300 -0.723 0.000 0.946 294 R HN -0.010 nan 8.270 nan 0.000 0.459 295 D N 0.362 120.693 120.400 -0.115 0.000 2.333 295 D HA 0.018 4.658 4.640 -0.000 0.000 0.208 295 D C -0.353 175.912 176.300 -0.058 0.000 0.984 295 D CA 0.371 54.321 54.000 -0.083 0.000 0.873 295 D CB -0.014 40.742 40.800 -0.073 0.000 0.935 295 D HN 0.348 nan 8.370 nan 0.000 0.521 296 N N 0.223 118.887 118.700 -0.060 0.000 2.740 296 N HA -0.160 4.580 4.740 -0.000 0.000 0.248 296 N C 0.162 175.640 175.510 -0.053 0.000 1.062 296 N CA 0.636 53.649 53.050 -0.062 0.000 0.704 296 N CB -1.262 37.199 38.487 -0.043 0.000 0.968 296 N HN 0.254 nan 8.380 nan 0.000 0.547 297 T N -4.135 110.387 114.554 -0.054 0.000 3.145 297 T HA 0.214 4.564 4.350 -0.000 0.000 0.255 297 T C -0.067 174.608 174.700 -0.041 0.000 1.039 297 T CA -0.078 61.998 62.100 -0.039 0.000 0.928 297 T CB 0.734 69.584 68.868 -0.029 0.000 1.029 297 T HN 0.259 nan 8.240 nan 0.000 0.554 298 D N 0.800 121.163 120.400 -0.061 0.000 2.683 298 D HA 0.293 4.933 4.640 -0.000 0.000 0.246 298 D C -1.368 174.874 176.300 -0.097 0.000 1.238 298 D CA -0.517 53.447 54.000 -0.061 0.000 0.759 298 D CB 1.786 42.549 40.800 -0.062 0.000 1.349 298 D HN 0.314 nan 8.370 nan 0.000 0.426 299 N N 0.371 119.029 118.700 -0.070 0.000 2.725 299 N HA 0.278 5.018 4.740 -0.000 0.000 0.312 299 N C 1.076 176.484 175.510 -0.170 0.000 1.295 299 N CA -0.496 52.489 53.050 -0.107 0.000 0.914 299 N CB 0.278 38.757 38.487 -0.014 0.000 1.177 299 N HN 0.187 nan 8.380 nan 0.000 0.601 300 M N -1.031 118.422 119.600 -0.245 0.000 2.358 300 M HA -0.029 4.451 4.480 -0.000 0.000 0.264 300 M C 0.899 177.039 176.300 -0.266 0.000 1.064 300 M CA 1.280 56.394 55.300 -0.309 0.000 1.093 300 M CB -1.264 31.133 32.600 -0.339 0.000 1.401 300 M HN 0.515 nan 8.290 nan 0.000 0.440 301 Y N -0.109 120.148 120.300 -0.072 0.000 2.314 301 Y HA 0.003 4.553 4.550 -0.000 0.000 0.293 301 Y C 2.560 178.429 175.900 -0.052 0.000 1.129 301 Y CA 1.311 59.380 58.100 -0.051 0.000 1.201 301 Y CB -1.085 37.347 38.460 -0.047 0.000 0.999 301 Y HN 0.281 nan 8.280 nan 0.000 0.541 302 G N -0.791 108.046 108.800 0.062 0.000 2.430 302 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.216 302 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.216 302 G C 1.585 176.465 174.900 -0.033 0.000 1.146 302 G CA 0.541 45.648 45.100 0.012 0.000 0.793 302 G HN 0.326 nan 8.290 nan 0.000 0.537 303 L N 0.728 121.893 121.223 -0.096 0.000 2.109 303 L HA 0.171 4.511 4.340 -0.000 0.000 0.207 303 L C 2.630 179.475 176.870 -0.043 0.000 1.086 303 L CA 2.074 56.834 54.840 -0.133 0.000 0.760 303 L CB -0.345 41.552 42.059 -0.269 0.000 0.910 303 L HN 0.227 nan 8.230 nan 0.000 0.437 304 K N -0.571 119.818 120.400 -0.018 0.000 2.057 304 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 304 K C 1.971 178.601 176.600 0.050 0.000 1.049 304 K CA 1.317 57.623 56.287 0.031 0.000 0.931 304 K CB -0.228 32.301 32.500 0.048 0.000 0.714 304 K HN 0.388 nan 8.250 nan 0.000 0.440 305 A N 1.772 124.622 122.820 0.051 0.000 1.933 305 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 305 A C 2.151 179.765 177.584 0.050 0.000 1.175 305 A CA 1.558 53.626 52.037 0.051 0.000 0.628 305 A CB -0.566 18.463 19.000 0.047 0.000 0.814 305 A HN 0.483 nan 8.150 nan 0.000 0.444 306 M N -0.199 119.428 119.600 0.045 0.000 2.132 306 M HA -0.068 4.412 4.480 -0.000 0.000 0.263 306 M C 1.965 178.323 176.300 0.097 0.000 1.065 306 M CA 1.691 57.030 55.300 0.066 0.000 1.122 306 M CB -0.844 31.778 32.600 0.037 0.000 1.365 306 M HN 0.424 nan 8.290 nan 0.000 0.411 307 L N 0.057 121.334 121.223 0.090 0.000 2.017 307 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 307 L C 2.358 179.281 176.870 0.088 0.000 1.073 307 L CA 1.519 56.423 54.840 0.106 0.000 0.745 307 L CB -0.677 41.431 42.059 0.081 0.000 0.894 307 L HN 0.349 nan 8.230 nan 0.000 0.432 308 E N -0.204 120.038 120.200 0.070 0.000 2.072 308 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 308 E C 2.205 178.832 176.600 0.045 0.000 0.985 308 E CA 0.964 57.398 56.400 0.057 0.000 0.801 308 E CB -0.265 29.466 29.700 0.053 0.000 0.750 308 E HN 0.555 nan 8.360 nan 0.000 0.452 309 G N 1.521 110.348 108.800 0.044 0.000 2.414 309 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.215 309 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.215 309 G C 1.780 176.677 174.900 -0.004 0.000 1.188 309 G CA 1.239 46.351 45.100 0.020 0.000 0.783 309 G HN 0.384 nan 8.290 nan 0.000 0.537 310 S N 1.362 117.098 115.700 0.059 0.000 2.383 310 S HA 0.063 4.533 4.470 -0.000 0.000 0.229 310 S C 2.535 177.215 174.600 0.134 0.000 1.030 310 S CA 1.551 59.826 58.200 0.126 0.000 1.002 310 S CB -0.523 62.851 63.200 0.290 0.000 0.829 310 S HN 0.638 nan 8.310 nan 0.000 0.467 311 A N 1.166 124.043 122.820 0.095 0.000 2.121 311 A HA 0.461 4.781 4.320 -0.000 0.000 0.218 311 A C 2.276 179.876 177.584 0.028 0.000 1.154 311 A CA 1.369 53.452 52.037 0.076 0.000 0.679 311 A CB -0.921 18.117 19.000 0.064 0.000 0.795 311 A HN 0.863 nan 8.150 nan 0.000 0.458 312 A N -0.827 121.984 122.820 -0.015 0.000 2.014 312 A HA 0.084 4.404 4.320 -0.000 0.000 0.210 312 A C 1.626 179.136 177.584 -0.122 0.000 1.188 312 A CA 1.018 53.025 52.037 -0.049 0.000 0.731 312 A CB 0.005 18.982 19.000 -0.038 0.000 0.858 312 A HN 0.369 nan 8.150 nan 0.000 0.464 313 D N -1.181 119.066 120.400 -0.255 0.000 2.213 313 D HA 0.019 4.659 4.640 -0.000 0.000 0.205 313 D C -0.450 175.522 176.300 -0.546 0.000 0.961 313 D CA 0.819 54.505 54.000 -0.523 0.000 0.853 313 D CB -0.061 40.074 40.800 -1.109 0.000 0.967 313 D HN 0.442 nan 8.370 nan 0.000 0.496 314 Y N 0.571 120.753 120.300 -0.197 0.000 2.383 314 Y HA 0.386 4.936 4.550 -0.000 0.000 0.344 314 Y C 1.259 177.121 175.900 -0.063 0.000 0.986 314 Y CA -0.787 57.248 58.100 -0.107 0.000 1.175 314 Y CB 1.477 39.897 38.460 -0.067 0.000 1.152 314 Y HN -0.159 nan 8.280 nan 0.000 0.511 315 A N 2.906 125.781 122.820 0.091 0.000 1.940 315 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 315 A C 0.824 178.422 177.584 0.024 0.000 1.176 315 A CA 1.364 53.420 52.037 0.031 0.000 0.631 315 A CB -0.219 18.796 19.000 0.025 0.000 0.814 315 A HN 0.771 nan 8.150 nan 0.000 0.446 316 Q N -1.167 118.685 119.800 0.088 0.000 2.965 316 Q HA 0.394 4.734 4.340 -0.000 0.000 0.288 316 Q C 0.397 176.456 176.000 0.099 0.000 0.974 316 Q CA -0.109 55.745 55.803 0.085 0.000 0.849 316 Q CB 1.148 29.964 28.738 0.130 0.000 1.280 316 Q HN 0.149 nan 8.270 nan 0.000 0.441 317 V N 1.057 121.026 119.914 0.092 0.000 2.720 317 V HA -0.225 3.895 4.120 -0.000 0.000 0.256 317 V C 0.787 176.886 176.094 0.007 0.000 1.082 317 V CA 2.008 64.334 62.300 0.044 0.000 1.101 317 V CB 0.164 32.039 31.823 0.087 0.000 0.693 317 V HN 0.677 nan 8.190 nan 0.000 0.479 318 D N -0.275 120.170 120.400 0.075 0.000 2.378 318 D HA -0.069 4.571 4.640 -0.000 0.000 0.227 318 D C 1.135 177.516 176.300 0.136 0.000 1.012 318 D CA 0.768 54.829 54.000 0.101 0.000 0.905 318 D CB 0.064 40.982 40.800 0.197 0.000 0.895 318 D HN 0.539 nan 8.370 nan 0.000 0.532 319 D N 0.233 120.728 120.400 0.157 0.000 2.379 319 D HA -0.008 4.632 4.640 -0.000 0.000 0.208 319 D C 0.516 176.910 176.300 0.157 0.000 1.065 319 D CA 0.158 54.323 54.000 0.275 0.000 0.848 319 D CB 0.544 41.566 40.800 0.370 0.000 0.949 319 D HN 0.081 nan 8.370 nan 0.000 0.509 320 Q N 0.967 120.748 119.800 -0.032 0.000 2.313 320 Q HA 0.171 4.511 4.340 -0.000 0.000 0.266 320 Q C 0.032 175.950 176.000 -0.136 0.000 0.989 320 Q CA -0.114 55.608 55.803 -0.134 0.000 0.890 320 Q CB 1.639 30.174 28.738 -0.338 0.000 1.200 320 Q HN -0.094 nan 8.270 nan 0.000 0.396 321 V N 3.601 123.437 119.914 -0.131 0.000 2.408 321 V HA 0.181 4.301 4.120 -0.000 0.000 0.267 321 V C 0.722 176.802 176.094 -0.023 0.000 1.047 321 V CA -0.445 61.748 62.300 -0.180 0.000 0.937 321 V CB 0.530 32.083 31.823 -0.450 0.000 0.999 321 V HN 0.869 nan 8.190 nan 0.000 0.472 322 T N 2.963 117.427 114.554 -0.151 0.000 2.899 322 T HA 0.836 5.186 4.350 -0.000 0.000 0.284 322 T C -0.604 174.181 174.700 0.142 0.000 1.004 322 T CA -0.431 61.513 62.100 -0.259 0.000 1.043 322 T CB 1.500 69.811 68.868 -0.928 0.000 1.013 322 T HN 0.730 nan 8.240 nan 0.000 0.518 323 F N -0.931 118.993 119.950 -0.043 0.000 2.900 323 F HA 0.534 5.061 4.527 -0.000 0.000 0.321 323 F C -0.169 175.717 175.800 0.144 0.000 1.160 323 F CA -1.434 56.593 58.000 0.046 0.000 0.890 323 F CB 0.620 39.632 39.000 0.020 0.000 1.334 323 F HN 0.583 nan 8.300 nan 0.000 0.459 324 I N -1.569 119.111 120.570 0.183 0.000 4.227 324 I HA 0.490 4.660 4.170 -0.000 0.000 0.334 324 I C -0.969 175.329 176.117 0.301 0.000 1.341 324 I CA 0.070 61.456 61.300 0.144 0.000 1.123 324 I CB 0.703 38.706 38.000 0.007 0.000 1.097 324 I HN 0.665 nan 8.210 nan 0.000 0.399 325 D N 0.737 121.374 120.400 0.395 0.000 2.808 325 D HA 0.323 4.963 4.640 -0.000 0.000 0.294 325 D C -1.212 175.155 176.300 0.112 0.000 1.278 325 D CA -0.550 53.629 54.000 0.298 0.000 0.756 325 D CB 0.582 41.541 40.800 0.265 0.000 1.271 325 D HN 0.307 nan 8.370 nan 0.000 0.425 326 N N -2.721 115.853 118.700 -0.209 0.000 3.441 326 N HA 0.173 4.913 4.740 -0.000 0.000 0.313 326 N C 0.595 175.638 175.510 -0.779 0.000 1.526 326 N CA -0.413 52.216 53.050 -0.703 0.000 0.871 326 N CB -0.214 38.090 38.487 -0.305 0.000 1.779 326 N HN 0.552 nan 8.380 nan 0.000 0.529 327 H N -1.702 116.937 119.070 -0.719 0.000 2.561 327 H HA 0.161 4.717 4.556 -0.000 0.000 0.278 327 H C -0.708 174.603 175.328 -0.028 0.000 1.014 327 H CA 0.909 56.803 56.048 -0.258 0.000 1.211 327 H CB -0.325 29.480 29.762 0.071 0.000 1.365 327 H HN 0.534 nan 8.280 nan 0.000 0.594 328 D N 0.189 120.393 120.400 -0.327 0.000 2.431 328 D HA 0.243 4.883 4.640 -0.000 0.000 0.213 328 D C 0.286 176.633 176.300 0.079 0.000 1.130 328 D CA 0.058 54.001 54.000 -0.095 0.000 0.834 328 D CB 0.817 41.619 40.800 0.003 0.000 0.985 328 D HN 0.350 nan 8.370 nan 0.000 0.504 329 M N 0.162 119.786 119.600 0.040 0.000 2.658 329 M HA 0.264 4.744 4.480 -0.000 0.000 0.295 329 M C -0.295 176.043 176.300 0.065 0.000 1.248 329 M CA -0.783 54.576 55.300 0.099 0.000 0.843 329 M CB 2.897 35.582 32.600 0.141 0.000 1.749 329 M HN -0.314 nan 8.290 nan 0.000 0.464 330 E N 1.647 121.889 120.200 0.071 0.000 2.392 330 E HA 0.114 4.464 4.350 -0.000 0.000 0.264 330 E C -0.508 176.146 176.600 0.090 0.000 1.024 330 E CA -0.243 56.193 56.400 0.060 0.000 0.903 330 E CB 0.585 30.304 29.700 0.031 0.000 0.963 330 E HN 0.269 nan 8.360 nan 0.000 0.432 331 R N 1.834 122.400 120.500 0.110 0.000 2.640 331 R HA -0.088 4.252 4.340 -0.000 0.000 0.270 331 R C 0.915 177.334 176.300 0.198 0.000 1.024 331 R CA 0.252 56.460 56.100 0.179 0.000 1.085 331 R CB -0.007 30.392 30.300 0.165 0.000 0.963 331 R HN 0.624 nan 8.270 nan 0.000 0.426 332 F N 2.116 122.145 119.950 0.132 0.000 2.126 332 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 332 F C 1.223 177.117 175.800 0.157 0.000 1.096 332 F CA 1.554 59.632 58.000 0.131 0.000 1.255 332 F CB -0.279 38.802 39.000 0.135 0.000 0.997 332 F HN 0.561 nan 8.300 nan 0.000 0.479 333 H N 0.812 120.095 119.070 0.355 0.000 2.878 333 H HA 0.488 5.043 4.556 -0.000 0.000 0.290 333 H C -0.379 175.023 175.328 0.122 0.000 1.065 333 H CA -0.559 55.649 56.048 0.267 0.000 1.477 333 H CB 0.323 30.267 29.762 0.304 0.000 1.484 333 H HN 0.235 nan 8.280 nan 0.000 0.504 334 A N 3.676 126.280 122.820 -0.359 0.000 2.328 334 A HA 0.260 4.580 4.320 -0.000 0.000 0.284 334 A C 1.502 178.780 177.584 -0.510 0.000 1.160 334 A CA 0.008 51.857 52.037 -0.313 0.000 0.818 334 A CB 0.053 18.933 19.000 -0.200 0.000 1.087 334 A HN 0.988 nan 8.150 nan 0.000 0.504 335 S N 2.156 117.696 115.700 -0.267 0.000 2.423 335 S HA -0.250 4.220 4.470 -0.000 0.000 0.238 335 S C 1.139 175.661 174.600 -0.129 0.000 1.028 335 S CA 1.723 59.826 58.200 -0.162 0.000 1.000 335 S CB -0.481 62.688 63.200 -0.052 0.000 0.797 335 S HN 0.914 nan 8.310 nan 0.000 0.487 336 N N 1.801 120.421 118.700 -0.134 0.000 2.220 336 N HA 0.304 5.044 4.740 -0.000 0.000 0.195 336 N C 0.445 175.918 175.510 -0.062 0.000 1.123 336 N CA 0.413 53.421 53.050 -0.071 0.000 0.874 336 N CB -0.160 38.298 38.487 -0.049 0.000 0.995 336 N HN 0.516 nan 8.380 nan 0.000 0.498 337 A N 1.189 123.939 122.820 -0.117 0.000 2.346 337 A HA 0.183 4.503 4.320 -0.000 0.000 0.252 337 A C 0.371 178.001 177.584 0.076 0.000 1.089 337 A CA -0.443 51.572 52.037 -0.037 0.000 0.797 337 A CB 0.117 19.081 19.000 -0.059 0.000 1.047 337 A HN 0.312 nan 8.150 nan 0.000 0.494 338 N N -0.188 118.575 118.700 0.106 0.000 2.513 338 N HA 0.050 4.790 4.740 -0.000 0.000 0.268 338 N C 0.979 176.617 175.510 0.213 0.000 1.180 338 N CA 0.013 53.139 53.050 0.127 0.000 0.948 338 N CB 0.615 39.159 38.487 0.095 0.000 1.083 338 N HN 0.594 nan 8.380 nan 0.000 0.455 339 R N 1.936 122.528 120.500 0.153 0.000 2.189 339 R HA -0.082 4.257 4.340 -0.000 0.000 0.223 339 R C 1.469 177.869 176.300 0.167 0.000 1.092 339 R CA 0.651 56.821 56.100 0.116 0.000 0.989 339 R CB 0.007 30.176 30.300 -0.219 0.000 0.876 339 R HN 0.448 nan 8.270 nan 0.000 0.457 340 R N 1.916 122.492 120.500 0.126 0.000 2.200 340 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 340 R C 1.412 177.798 176.300 0.144 0.000 1.127 340 R CA 1.524 57.694 56.100 0.116 0.000 0.989 340 R CB -0.107 30.249 30.300 0.092 0.000 0.869 340 R HN 0.124 nan 8.270 nan 0.000 0.459 341 K N -0.217 120.314 120.400 0.217 0.000 2.062 341 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 341 K C 2.024 178.797 176.600 0.288 0.000 1.051 341 K CA 1.422 57.887 56.287 0.297 0.000 0.941 341 K CB -0.273 32.445 32.500 0.364 0.000 0.719 341 K HN 0.239 nan 8.250 nan 0.000 0.440 342 L N 1.558 122.970 121.223 0.315 0.000 2.056 342 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 342 L C 1.982 178.775 176.870 -0.128 0.000 1.078 342 L CA 1.494 56.365 54.840 0.052 0.000 0.749 342 L CB -0.049 42.147 42.059 0.228 0.000 0.901 342 L HN 0.144 nan 8.230 nan 0.000 0.433 343 E N -0.448 119.755 120.200 0.005 0.000 2.051 343 E HA -0.283 4.067 4.350 -0.000 0.000 0.192 343 E C 2.221 178.752 176.600 -0.115 0.000 0.991 343 E CA 1.691 58.071 56.400 -0.033 0.000 0.799 343 E CB -0.086 29.643 29.700 0.049 0.000 0.748 343 E HN 0.611 nan 8.360 nan 0.000 0.449 344 Q N -0.037 119.680 119.800 -0.139 0.000 2.084 344 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 344 Q C 2.290 177.972 176.000 -0.530 0.000 0.978 344 Q CA 1.166 56.813 55.803 -0.260 0.000 0.844 344 Q CB -0.155 28.454 28.738 -0.216 0.000 0.898 344 Q HN 0.252 nan 8.270 nan 0.000 0.426 345 A N 1.000 123.426 122.820 -0.656 0.000 1.933 345 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 345 A C 2.073 179.468 177.584 -0.315 0.000 1.175 345 A CA 1.088 52.715 52.037 -0.685 0.000 0.628 345 A CB -0.634 17.878 19.000 -0.813 0.000 0.814 345 A HN 0.272 nan 8.150 nan 0.000 0.444 346 L N -0.972 120.087 121.223 -0.274 0.000 2.027 346 L HA -0.178 4.162 4.340 -0.000 0.000 0.206 346 L C 3.138 179.957 176.870 -0.086 0.000 1.074 346 L CA 1.073 55.821 54.840 -0.154 0.000 0.745 346 L CB -0.548 41.420 42.059 -0.151 0.000 0.898 346 L HN 0.441 nan 8.230 nan 0.000 0.433 347 A N -0.298 122.470 122.820 -0.087 0.000 1.902 347 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 347 A C 2.157 179.764 177.584 0.039 0.000 1.181 347 A CA 1.614 53.625 52.037 -0.043 0.000 0.623 347 A CB -0.827 18.143 19.000 -0.050 0.000 0.818 347 A HN 0.410 nan 8.150 nan 0.000 0.443 348 F N 1.328 121.222 119.950 -0.094 0.000 2.102 348 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 348 F C 2.487 178.356 175.800 0.115 0.000 1.105 348 F CA 2.321 60.344 58.000 0.039 0.000 1.239 348 F CB -0.718 38.230 39.000 -0.088 0.000 0.991 348 F HN 0.203 nan 8.300 nan 0.000 0.474 349 T N 1.521 116.138 114.554 0.106 0.000 2.746 349 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 349 T C 2.149 176.797 174.700 -0.087 0.000 1.039 349 T CA 1.719 63.860 62.100 0.068 0.000 1.142 349 T CB -0.567 68.383 68.868 0.137 0.000 0.866 349 T HN 0.240 nan 8.240 nan 0.000 0.444 350 L N 1.349 122.531 121.223 -0.070 0.000 2.265 350 L HA -0.047 4.293 4.340 -0.000 0.000 0.215 350 L C 2.518 179.325 176.870 -0.105 0.000 1.117 350 L CA 1.313 56.098 54.840 -0.092 0.000 0.782 350 L CB -0.752 41.257 42.059 -0.083 0.000 0.914 350 L HN 0.438 nan 8.230 nan 0.000 0.441 351 T N -5.680 108.821 114.554 -0.089 0.000 3.092 351 T HA 0.205 4.555 4.350 -0.000 0.000 0.258 351 T C 0.692 175.370 174.700 -0.038 0.000 1.031 351 T CA -0.323 61.745 62.100 -0.055 0.000 0.925 351 T CB 0.338 69.199 68.868 -0.012 0.000 1.036 351 T HN -0.024 nan 8.240 nan 0.000 0.544 352 S N 2.261 117.859 115.700 -0.170 0.000 2.713 352 S HA 0.602 5.072 4.470 -0.000 0.000 0.283 352 S C 0.373 174.862 174.600 -0.184 0.000 1.161 352 S CA -1.067 56.994 58.200 -0.232 0.000 0.999 352 S CB 0.961 63.913 63.200 -0.413 0.000 1.039 352 S HN 0.617 nan 8.310 nan 0.000 0.548 353 R N 0.762 121.177 120.500 -0.143 0.000 2.694 353 R HA 0.535 4.875 4.340 -0.000 0.000 0.268 353 R C 0.546 176.731 176.300 -0.193 0.000 1.061 353 R CA 0.607 56.636 56.100 -0.117 0.000 1.133 353 R CB -1.252 29.022 30.300 -0.043 0.000 1.020 353 R HN 0.948 nan 8.270 nan 0.000 0.475 354 G N -0.016 108.695 108.800 -0.147 0.000 2.472 354 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.205 354 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.205 354 G C -1.484 173.310 174.900 -0.178 0.000 1.270 354 G CA -0.343 44.657 45.100 -0.167 0.000 0.974 354 G HN 0.677 nan 8.290 nan 0.000 0.542 355 V N 2.158 121.961 119.914 -0.186 0.000 2.326 355 V HA 0.499 4.619 4.120 -0.000 0.000 0.281 355 V C -2.087 173.911 176.094 -0.161 0.000 1.015 355 V CA -1.152 61.042 62.300 -0.177 0.000 0.823 355 V CB 1.650 33.356 31.823 -0.194 0.000 1.009 355 V HN 0.584 nan 8.190 nan 0.000 0.436 356 P HA 0.321 nan 4.420 nan 0.000 0.268 356 P C -0.605 176.704 177.300 0.014 0.000 1.204 356 P CA 0.253 63.304 63.100 -0.082 0.000 0.768 356 P CB 0.765 32.414 31.700 -0.084 0.000 0.842 357 A N 4.479 127.355 122.820 0.092 0.000 2.353 357 A HA 0.620 4.940 4.320 -0.000 0.000 0.299 357 A C -0.857 176.845 177.584 0.197 0.000 1.089 357 A CA -0.550 51.603 52.037 0.193 0.000 0.736 357 A CB 0.695 19.867 19.000 0.288 0.000 1.195 357 A HN 0.336 nan 8.150 nan 0.000 0.447 358 I N 2.536 123.206 120.570 0.167 0.000 2.354 358 I HA 0.189 4.359 4.170 -0.000 0.000 0.292 358 I C -0.553 175.585 176.117 0.035 0.000 0.989 358 I CA -0.534 60.841 61.300 0.125 0.000 1.188 358 I CB 1.112 39.205 38.000 0.154 0.000 1.342 358 I HN 0.716 nan 8.210 nan 0.000 0.457 359 Y N 8.312 128.556 120.300 -0.093 0.000 2.377 359 Y HA 0.155 4.705 4.550 -0.000 0.000 0.330 359 Y C 0.191 175.922 175.900 -0.281 0.000 1.108 359 Y CA -0.924 57.074 58.100 -0.171 0.000 1.308 359 Y CB 0.281 38.696 38.460 -0.075 0.000 1.216 359 Y HN 0.475 nan 8.280 nan 0.000 0.518 360 Y N 4.008 123.818 120.300 -0.816 0.000 2.903 360 Y HA 0.310 4.860 4.550 -0.000 0.000 0.338 360 Y C 1.104 176.801 175.900 -0.338 0.000 1.265 360 Y CA -0.214 57.483 58.100 -0.672 0.000 1.532 360 Y CB -0.016 38.152 38.460 -0.486 0.000 1.293 360 Y HN 0.926 nan 8.280 nan 0.000 0.609 361 G N 1.995 110.740 108.800 -0.091 0.000 2.241 361 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.244 361 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.244 361 G C 0.904 175.728 174.900 -0.126 0.000 0.998 361 G CA 0.470 45.475 45.100 -0.158 0.000 0.621 361 G HN 0.862 nan 8.290 nan 0.000 0.519 362 T N 1.784 116.264 114.554 -0.124 0.000 2.684 362 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 362 T C 2.154 176.743 174.700 -0.185 0.000 1.036 362 T CA 1.978 64.023 62.100 -0.091 0.000 1.148 362 T CB -0.289 68.559 68.868 -0.034 0.000 0.863 362 T HN 0.801 nan 8.240 nan 0.000 0.436 363 E N 1.015 121.162 120.200 -0.088 0.000 2.409 363 E HA -0.158 4.192 4.350 -0.000 0.000 0.198 363 E C 1.311 177.787 176.600 -0.206 0.000 1.024 363 E CA 0.888 57.201 56.400 -0.144 0.000 0.861 363 E CB -0.144 29.589 29.700 0.054 0.000 0.788 363 E HN 0.401 nan 8.360 nan 0.000 0.521 364 Q N -0.326 119.403 119.800 -0.118 0.000 2.219 364 Q HA 0.069 4.409 4.340 -0.000 0.000 0.209 364 Q C -0.518 175.503 176.000 0.034 0.000 0.854 364 Q CA -0.366 55.429 55.803 -0.013 0.000 0.960 364 Q CB -0.145 28.628 28.738 0.058 0.000 1.116 364 Q HN 0.331 nan 8.270 nan 0.000 0.500 365 Y N -1.332 118.953 120.300 -0.025 0.000 3.689 365 Y HA -0.271 4.279 4.550 -0.000 0.000 0.221 365 Y C 0.295 176.226 175.900 0.052 0.000 1.247 365 Y CA 0.200 58.239 58.100 -0.102 0.000 1.671 365 Y CB -2.563 35.760 38.460 -0.229 0.000 1.521 365 Y HN 0.192 nan 8.280 nan 0.000 0.632 366 M N 0.142 119.812 119.600 0.118 0.000 2.239 366 M HA 0.217 4.697 4.480 -0.000 0.000 0.348 366 M C 0.726 177.130 176.300 0.173 0.000 1.239 366 M CA 0.855 56.213 55.300 0.097 0.000 1.114 366 M CB 0.580 33.153 32.600 -0.045 0.000 1.641 366 M HN 0.251 nan 8.290 nan 0.000 0.453 367 S N 0.738 116.527 115.700 0.148 0.000 2.704 367 S HA 0.950 5.420 4.470 -0.000 0.000 0.305 367 S C -0.148 174.492 174.600 0.067 0.000 1.107 367 S CA -0.709 57.564 58.200 0.122 0.000 0.993 367 S CB 2.156 65.406 63.200 0.083 0.000 1.110 367 S HN 0.945 nan 8.310 nan 0.000 0.534 368 G N -0.395 108.437 108.800 0.053 0.000 2.378 368 G HA2 0.469 4.429 3.960 -0.000 0.000 0.302 368 G HA3 0.469 4.429 3.960 -0.000 0.000 0.302 368 G C -0.299 174.624 174.900 0.038 0.000 1.669 368 G CA -0.332 44.792 45.100 0.040 0.000 0.920 368 G HN 0.881 nan 8.290 nan 0.000 0.697 369 G N -0.223 108.592 108.800 0.026 0.000 2.485 369 G HA2 0.684 4.644 3.960 -0.000 0.000 0.260 369 G HA3 0.684 4.644 3.960 -0.000 0.000 0.260 369 G C 1.021 175.940 174.900 0.031 0.000 1.459 369 G CA 0.723 45.836 45.100 0.022 0.000 1.060 369 G HN 1.693 nan 8.290 nan 0.000 0.546 370 T N -1.795 112.773 114.554 0.025 0.000 2.701 370 T HA 0.227 4.577 4.350 -0.000 0.000 0.303 370 T C 0.309 175.026 174.700 0.029 0.000 1.030 370 T CA 0.148 62.264 62.100 0.026 0.000 1.010 370 T CB 0.668 69.544 68.868 0.013 0.000 1.007 370 T HN 0.542 nan 8.240 nan 0.000 0.532 371 D N 1.722 122.140 120.400 0.030 0.000 2.648 371 D HA 0.014 4.653 4.640 -0.000 0.000 0.229 371 D C -0.984 175.347 176.300 0.052 0.000 1.119 371 D CA -1.239 52.791 54.000 0.050 0.000 0.850 371 D CB 0.582 41.408 40.800 0.044 0.000 1.169 371 D HN 0.419 nan 8.370 nan 0.000 0.489 372 P HA 0.104 nan 4.420 nan 0.000 0.267 372 P C 0.162 177.490 177.300 0.045 0.000 1.289 372 P CA -0.110 63.044 63.100 0.090 0.000 0.866 372 P CB 0.509 32.278 31.700 0.114 0.000 1.309 373 D N 1.637 122.057 120.400 0.034 0.000 2.265 373 D HA -0.115 4.525 4.640 -0.000 0.000 0.208 373 D C 1.076 177.396 176.300 0.034 0.000 0.977 373 D CA 0.992 55.007 54.000 0.025 0.000 0.871 373 D CB -0.187 40.625 40.800 0.021 0.000 0.925 373 D HN 0.382 nan 8.370 nan 0.000 0.485 374 N N 0.026 118.757 118.700 0.051 0.000 2.314 374 N HA -0.043 4.697 4.740 -0.000 0.000 0.200 374 N C 0.380 175.952 175.510 0.104 0.000 1.135 374 N CA 0.008 53.111 53.050 0.087 0.000 0.835 374 N CB -0.016 38.533 38.487 0.102 0.000 0.989 374 N HN 0.066 nan 8.380 nan 0.000 0.478 375 R N -0.089 120.436 120.500 0.042 0.000 2.727 375 R HA 0.435 4.775 4.340 -0.000 0.000 0.410 375 R C -0.297 176.041 176.300 0.064 0.000 1.101 375 R CA -0.366 55.742 56.100 0.013 0.000 1.045 375 R CB 0.881 31.095 30.300 -0.143 0.000 1.380 375 R HN 0.134 nan 8.270 nan 0.000 0.587 376 A N 1.422 124.275 122.820 0.054 0.000 2.313 376 A HA 0.254 4.574 4.320 -0.000 0.000 0.261 376 A C 0.151 177.808 177.584 0.121 0.000 1.090 376 A CA -0.401 51.662 52.037 0.043 0.000 0.807 376 A CB 0.352 19.357 19.000 0.008 0.000 1.055 376 A HN 0.426 nan 8.150 nan 0.000 0.492 377 R N 0.979 121.521 120.500 0.070 0.000 2.537 377 R HA 0.204 4.544 4.340 -0.000 0.000 0.280 377 R C -0.059 176.283 176.300 0.069 0.000 1.058 377 R CA -0.237 55.917 56.100 0.089 0.000 1.057 377 R CB 0.135 30.443 30.300 0.013 0.000 0.973 377 R HN 0.706 nan 8.270 nan 0.000 0.438 378 I N 7.939 128.583 120.570 0.123 0.000 2.742 378 I HA -0.006 4.164 4.170 -0.000 0.000 0.287 378 I C -1.165 174.821 176.117 -0.219 0.000 1.186 378 I CA -1.469 59.824 61.300 -0.011 0.000 1.417 378 I CB 1.167 39.188 38.000 0.035 0.000 1.377 378 I HN 0.747 nan 8.210 nan 0.000 0.556 379 P HA -0.077 nan 4.420 nan 0.000 0.218 379 P C -0.135 177.000 177.300 -0.276 0.000 1.149 379 P CA 0.922 63.916 63.100 -0.177 0.000 0.817 379 P CB 0.109 31.757 31.700 -0.088 0.000 0.785 380 S N -2.200 113.260 115.700 -0.400 0.000 2.587 380 S HA 0.487 4.957 4.470 -0.000 0.000 0.269 380 S C -0.994 173.222 174.600 -0.640 0.000 1.154 380 S CA -0.777 57.152 58.200 -0.452 0.000 0.824 380 S CB 0.287 63.382 63.200 -0.175 0.000 1.118 380 S HN -0.161 nan 8.310 nan 0.000 0.462 381 F N 1.622 121.439 119.950 -0.223 0.000 2.893 381 F HA 0.526 5.053 4.527 0.000 0.000 0.340 381 F C 1.026 176.795 175.800 -0.050 0.000 1.300 381 F CA -0.617 57.119 58.000 -0.439 0.000 1.227 381 F CB 0.710 39.311 39.000 -0.665 0.000 1.044 381 F HN 0.648 nan 8.300 nan 0.000 0.512 382 S N 0.243 116.029 115.700 0.143 0.000 2.545 382 S HA 0.264 4.734 4.470 -0.000 0.000 0.275 382 S C 1.228 175.791 174.600 -0.061 0.000 1.299 382 S CA 0.021 58.257 58.200 0.061 0.000 1.048 382 S CB 0.689 63.904 63.200 0.026 0.000 0.938 382 S HN 0.504 nan 8.310 nan 0.000 0.496 383 T N 1.072 115.436 114.554 -0.316 0.000 3.092 383 T HA 0.213 4.563 4.350 -0.000 0.000 0.258 383 T C 0.968 175.371 174.700 -0.495 0.000 1.031 383 T CA -0.105 61.405 62.100 -0.983 0.000 0.925 383 T CB 0.014 68.378 68.868 -0.839 0.000 1.036 383 T HN 0.387 nan 8.240 nan 0.000 0.544 384 S N 2.134 117.719 115.700 -0.192 0.000 2.575 384 S HA 0.140 4.610 4.470 -0.000 0.000 0.215 384 S C 1.136 175.752 174.600 0.026 0.000 0.966 384 S CA -0.007 58.157 58.200 -0.060 0.000 0.911 384 S CB -0.098 63.084 63.200 -0.030 0.000 0.780 384 S HN 0.879 nan 8.310 nan 0.000 0.514 385 T N -0.197 114.401 114.554 0.072 0.000 2.898 385 T HA 0.164 4.513 4.350 -0.000 0.000 0.301 385 T C 1.297 176.114 174.700 0.197 0.000 1.049 385 T CA -0.177 62.039 62.100 0.193 0.000 1.095 385 T CB 0.837 69.865 68.868 0.267 0.000 0.976 385 T HN -0.015 nan 8.240 nan 0.000 0.539 386 T N 1.780 116.476 114.554 0.236 0.000 2.821 386 T HA 0.010 4.360 4.350 -0.000 0.000 0.267 386 T C 2.376 177.161 174.700 0.142 0.000 1.046 386 T CA 1.202 63.407 62.100 0.174 0.000 1.139 386 T CB -0.701 68.267 68.868 0.166 0.000 0.871 386 T HN 0.819 nan 8.240 nan 0.000 0.454 387 A N 0.423 123.318 122.820 0.124 0.000 1.930 387 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 387 A C 2.062 179.633 177.584 -0.022 0.000 1.175 387 A CA 1.321 53.327 52.037 -0.051 0.000 0.627 387 A CB -0.944 17.829 19.000 -0.378 0.000 0.815 387 A HN 0.570 nan 8.150 nan 0.000 0.443 388 Y N 0.695 120.947 120.300 -0.080 0.000 2.181 388 Y HA -0.239 4.311 4.550 -0.000 0.000 0.288 388 Y C 2.505 178.366 175.900 -0.065 0.000 1.146 388 Y CA 2.305 60.361 58.100 -0.073 0.000 1.164 388 Y CB -0.328 38.109 38.460 -0.039 0.000 0.982 388 Y HN 0.450 nan 8.280 nan 0.000 0.515 389 Q N -1.108 118.823 119.800 0.219 0.000 2.167 389 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 389 Q C 2.331 178.339 176.000 0.012 0.000 0.970 389 Q CA 1.572 57.450 55.803 0.127 0.000 0.855 389 Q CB -0.224 28.579 28.738 0.109 0.000 0.911 389 Q HN 0.372 nan 8.270 nan 0.000 0.438 390 V N 1.242 121.151 119.914 -0.008 0.000 2.295 390 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 390 V C 2.118 178.161 176.094 -0.086 0.000 1.049 390 V CA 1.634 63.907 62.300 -0.045 0.000 1.024 390 V CB -0.404 31.392 31.823 -0.046 0.000 0.648 390 V HN 0.350 nan 8.190 nan 0.000 0.447 391 I N -0.383 120.111 120.570 -0.125 0.000 2.315 391 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 391 I C 2.613 178.621 176.117 -0.182 0.000 1.117 391 I CA 1.678 62.877 61.300 -0.168 0.000 1.404 391 I CB -0.394 37.465 38.000 -0.236 0.000 1.071 391 I HN 0.386 nan 8.210 nan 0.000 0.419 392 Q N 1.093 120.778 119.800 -0.191 0.000 2.124 392 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 392 Q C 2.057 178.002 176.000 -0.092 0.000 0.977 392 Q CA 1.324 57.038 55.803 -0.149 0.000 0.850 392 Q CB 0.224 28.922 28.738 -0.068 0.000 0.901 392 Q HN 0.332 nan 8.270 nan 0.000 0.429 393 K N -0.021 120.334 120.400 -0.074 0.000 2.137 393 K HA 0.011 4.331 4.320 -0.000 0.000 0.202 393 K C 2.034 178.587 176.600 -0.079 0.000 1.052 393 K CA 0.688 56.936 56.287 -0.064 0.000 0.961 393 K CB 0.094 32.563 32.500 -0.053 0.000 0.741 393 K HN 0.302 nan 8.250 nan 0.000 0.452 394 L N 0.163 121.332 121.223 -0.091 0.000 2.298 394 L HA 0.103 4.443 4.340 -0.000 0.000 0.209 394 L C 2.479 179.286 176.870 -0.105 0.000 1.084 394 L CA 0.432 55.214 54.840 -0.096 0.000 0.816 394 L CB -0.494 41.508 42.059 -0.095 0.000 0.967 394 L HN -0.011 nan 8.230 nan 0.000 0.460 395 A N 1.429 124.180 122.820 -0.114 0.000 1.873 395 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 395 A C -0.072 177.440 177.584 -0.120 0.000 1.193 395 A CA 1.867 53.832 52.037 -0.120 0.000 0.629 395 A CB -1.871 17.049 19.000 -0.134 0.000 0.826 395 A HN 0.251 nan 8.150 nan 0.000 0.447 396 P HA -0.117 nan 4.420 nan 0.000 0.221 396 P C 1.235 178.470 177.300 -0.109 0.000 1.145 396 P CA 0.731 63.768 63.100 -0.106 0.000 0.795 396 P CB -0.153 31.494 31.700 -0.088 0.000 0.775 397 L N -1.088 120.070 121.223 -0.107 0.000 2.265 397 L HA -0.137 4.203 4.340 -0.000 0.000 0.215 397 L C 2.356 179.144 176.870 -0.137 0.000 1.117 397 L CA 1.290 56.066 54.840 -0.107 0.000 0.782 397 L CB -0.532 41.469 42.059 -0.096 0.000 0.914 397 L HN -0.001 nan 8.230 nan 0.000 0.441 398 R N -0.357 120.048 120.500 -0.160 0.000 2.235 398 R HA -0.063 4.277 4.340 -0.000 0.000 0.213 398 R C 1.963 178.119 176.300 -0.240 0.000 1.059 398 R CA 0.506 56.477 56.100 -0.214 0.000 0.997 398 R CB 0.016 30.187 30.300 -0.215 0.000 0.884 398 R HN 0.257 nan 8.270 nan 0.000 0.462 399 K N 0.145 120.433 120.400 -0.187 0.000 2.242 399 K HA 0.004 4.324 4.320 -0.000 0.000 0.200 399 K C 2.082 178.596 176.600 -0.143 0.000 1.050 399 K CA 1.014 57.197 56.287 -0.173 0.000 0.981 399 K CB 0.188 32.602 32.500 -0.143 0.000 0.795 399 K HN 0.315 nan 8.250 nan 0.000 0.477 400 C N -0.074 119.153 119.300 -0.122 0.000 2.865 400 C HA 0.311 4.770 4.460 -0.000 0.000 0.280 400 C C 0.713 175.649 174.990 -0.089 0.000 1.255 400 C CA -0.654 58.308 59.018 -0.095 0.000 1.705 400 C CB -0.603 27.090 27.740 -0.077 0.000 2.080 400 C HN 0.118 nan 8.230 nan 0.000 0.591 401 N N 2.095 120.730 118.700 -0.108 0.000 2.696 401 N HA 0.306 5.046 4.740 -0.000 0.000 0.246 401 N C -1.871 173.564 175.510 -0.124 0.000 1.057 401 N CA -1.625 51.374 53.050 -0.086 0.000 0.867 401 N CB 1.585 40.031 38.487 -0.068 0.000 1.141 401 N HN 0.212 nan 8.380 nan 0.000 0.517 402 P HA -0.081 nan 4.420 nan 0.000 0.228 402 P C 0.873 178.078 177.300 -0.158 0.000 1.151 402 P CA 0.546 63.529 63.100 -0.194 0.000 0.770 402 P CB 0.381 32.110 31.700 0.048 0.000 0.786 403 A N -0.058 122.777 122.820 0.024 0.000 1.969 403 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 403 A C 2.244 179.824 177.584 -0.007 0.000 1.169 403 A CA 0.924 53.023 52.037 0.104 0.000 0.635 403 A CB -1.178 17.893 19.000 0.119 0.000 0.810 403 A HN 0.162 nan 8.150 nan 0.000 0.445 404 I N -0.966 119.548 120.570 -0.094 0.000 2.480 404 I HA -0.096 4.074 4.170 -0.000 0.000 0.251 404 I C 2.806 178.793 176.117 -0.216 0.000 1.124 404 I CA 0.803 62.032 61.300 -0.119 0.000 1.444 404 I CB -0.148 37.779 38.000 -0.121 0.000 1.098 404 I HN 0.329 nan 8.210 nan 0.000 0.428 405 A N 0.253 122.838 122.820 -0.391 0.000 1.898 405 A HA -0.120 4.200 4.320 -0.000 0.000 0.214 405 A C 1.588 178.817 177.584 -0.591 0.000 1.183 405 A CA 1.467 53.130 52.037 -0.623 0.000 0.622 405 A CB -0.394 17.988 19.000 -1.031 0.000 0.824 405 A HN 0.463 nan 8.150 nan 0.000 0.444 406 Y N -0.749 119.352 120.300 -0.332 0.000 2.527 406 Y HA 0.368 4.918 4.550 -0.000 0.000 0.247 406 Y C 1.508 177.312 175.900 -0.159 0.000 1.138 406 Y CA -0.958 56.925 58.100 -0.362 0.000 1.228 406 Y CB -0.654 37.285 38.460 -0.868 0.000 1.252 406 Y HN 0.218 nan 8.280 nan 0.000 0.531 407 G N 1.077 109.908 108.800 0.052 0.000 2.594 407 G HA2 0.331 4.291 3.960 -0.000 0.000 0.243 407 G HA3 0.331 4.291 3.960 -0.000 0.000 0.243 407 G C 0.330 175.328 174.900 0.164 0.000 1.229 407 G CA -0.088 45.134 45.100 0.203 0.000 0.843 407 G HN 0.254 nan 8.290 nan 0.000 0.578 408 S N -0.276 115.533 115.700 0.182 0.000 2.624 408 S HA 0.588 5.058 4.470 -0.000 0.000 0.263 408 S C 0.114 174.793 174.600 0.131 0.000 1.287 408 S CA -0.420 57.862 58.200 0.137 0.000 0.990 408 S CB 1.400 64.676 63.200 0.126 0.000 0.950 408 S HN 0.585 nan 8.310 nan 0.000 0.561 409 T N 1.506 116.131 114.554 0.118 0.000 2.841 409 T HA 0.577 4.927 4.350 -0.000 0.000 0.283 409 T C -0.889 173.895 174.700 0.139 0.000 1.000 409 T CA -0.569 61.614 62.100 0.139 0.000 0.977 409 T CB 1.373 70.299 68.868 0.097 0.000 0.979 409 T HN 0.702 nan 8.240 nan 0.000 0.446 410 Q N 1.831 121.738 119.800 0.180 0.000 2.284 410 Q HA 0.258 4.598 4.340 -0.000 0.000 0.269 410 Q C -1.276 174.846 176.000 0.203 0.000 1.026 410 Q CA -0.688 55.211 55.803 0.159 0.000 0.831 410 Q CB 1.827 30.643 28.738 0.130 0.000 1.322 410 Q HN 0.597 nan 8.270 nan 0.000 0.419 411 E N 3.721 124.025 120.200 0.173 0.000 2.290 411 E HA 0.093 4.443 4.350 -0.000 0.000 0.277 411 E C -0.301 176.402 176.600 0.173 0.000 1.035 411 E CA 0.276 56.791 56.400 0.191 0.000 0.873 411 E CB 0.647 30.429 29.700 0.137 0.000 1.029 411 E HN 0.701 nan 8.360 nan 0.000 0.419 412 R N 3.325 123.957 120.500 0.220 0.000 2.394 412 R HA 0.140 4.480 4.340 -0.000 0.000 0.220 412 R C -0.155 176.321 176.300 0.293 0.000 0.887 412 R CA -0.085 56.144 56.100 0.216 0.000 1.034 412 R CB 0.926 31.354 30.300 0.214 0.000 1.179 412 R HN 0.500 nan 8.270 nan 0.000 0.561 413 W N 0.657 122.016 121.300 0.099 0.000 3.707 413 W HA 0.569 5.229 4.660 -0.000 0.000 0.294 413 W C -1.751 174.799 176.519 0.052 0.000 1.248 413 W CA -0.584 56.804 57.345 0.071 0.000 1.217 413 W CB 1.344 30.849 29.460 0.073 0.000 1.306 413 W HN -0.157 nan 8.180 nan 0.000 0.532 414 I N 5.707 126.176 120.570 -0.167 0.000 2.842 414 I HA 0.466 4.636 4.170 -0.000 0.000 0.296 414 I C -1.655 174.242 176.117 -0.366 0.000 1.538 414 I CA -0.482 60.740 61.300 -0.131 0.000 0.994 414 I CB 1.661 39.559 38.000 -0.169 0.000 1.372 414 I HN 0.658 nan 8.210 nan 0.000 0.478 415 N N 3.263 121.782 118.700 -0.301 0.000 3.449 415 N HA 0.274 5.014 4.740 -0.000 0.000 0.312 415 N C -0.561 174.746 175.510 -0.339 0.000 1.557 415 N CA -0.571 52.340 53.050 -0.231 0.000 0.864 415 N CB 0.241 38.724 38.487 -0.007 0.000 1.799 415 N HN 0.621 nan 8.380 nan 0.000 0.554 416 N N -0.885 117.786 118.700 -0.048 0.000 2.061 416 N HA -0.141 4.599 4.740 -0.000 0.000 0.193 416 N C -0.323 175.129 175.510 -0.098 0.000 1.030 416 N CA 1.720 54.753 53.050 -0.028 0.000 0.856 416 N CB -0.128 38.398 38.487 0.064 0.000 1.023 416 N HN 0.508 nan 8.380 nan 0.000 0.424 417 D N -0.303 120.071 120.400 -0.044 0.000 2.417 417 D HA 0.116 4.756 4.640 -0.000 0.000 0.207 417 D C -0.170 176.126 176.300 -0.007 0.000 1.075 417 D CA 0.198 54.173 54.000 -0.041 0.000 0.851 417 D CB 1.047 41.849 40.800 0.004 0.000 0.976 417 D HN -0.039 nan 8.370 nan 0.000 0.505 418 V N 1.781 121.724 119.914 0.047 0.000 2.581 418 V HA 0.460 4.580 4.120 -0.000 0.000 0.303 418 V C -0.605 175.579 176.094 0.150 0.000 1.041 418 V CA -0.849 61.536 62.300 0.142 0.000 0.907 418 V CB 2.488 34.476 31.823 0.274 0.000 0.994 418 V HN -0.061 nan 8.190 nan 0.000 0.442 419 L N 6.043 127.386 121.223 0.200 0.000 2.476 419 L HA 0.658 4.998 4.340 -0.000 0.000 0.269 419 L C -1.091 175.999 176.870 0.368 0.000 0.965 419 L CA 0.085 55.077 54.840 0.254 0.000 0.845 419 L CB 1.604 43.783 42.059 0.200 0.000 1.259 419 L HN 0.580 nan 8.230 nan 0.000 0.403 420 I N 6.325 127.130 120.570 0.392 0.000 2.411 420 I HA 0.377 4.547 4.170 -0.000 0.000 0.284 420 I C -1.113 175.219 176.117 0.358 0.000 1.012 420 I CA -0.725 60.775 61.300 0.334 0.000 1.119 420 I CB 1.145 39.352 38.000 0.345 0.000 1.261 420 I HN 0.599 nan 8.210 nan 0.000 0.448 421 Y N 3.289 123.715 120.300 0.209 0.000 2.549 421 Y HA 0.753 5.303 4.550 -0.000 0.000 0.339 421 Y C -0.555 175.431 175.900 0.144 0.000 1.053 421 Y CA -1.525 56.678 58.100 0.171 0.000 1.105 421 Y CB 0.995 39.555 38.460 0.166 0.000 1.258 421 Y HN 0.480 nan 8.280 nan 0.000 0.478 422 E N 2.107 122.450 120.200 0.237 0.000 2.210 422 E HA 0.450 4.800 4.350 -0.000 0.000 0.266 422 E C -1.177 175.528 176.600 0.175 0.000 0.883 422 E CA -1.117 55.365 56.400 0.136 0.000 0.761 422 E CB 0.991 30.762 29.700 0.118 0.000 1.156 422 E HN 0.612 nan 8.360 nan 0.000 0.412 423 R N 3.528 124.107 120.500 0.132 0.000 2.346 423 R HA 0.443 4.783 4.340 -0.000 0.000 0.311 423 R C -0.639 175.738 176.300 0.128 0.000 0.983 423 R CA -0.563 55.620 56.100 0.138 0.000 0.880 423 R CB 1.381 31.746 30.300 0.107 0.000 1.100 423 R HN 0.499 nan 8.270 nan 0.000 0.453 424 K N 2.250 122.743 120.400 0.155 0.000 2.468 424 K HA 0.477 4.797 4.320 -0.000 0.000 0.252 424 K C -1.809 174.944 176.600 0.257 0.000 0.932 424 K CA -0.629 55.758 56.287 0.168 0.000 0.794 424 K CB 1.486 34.060 32.500 0.124 0.000 1.241 424 K HN 0.419 nan 8.250 nan 0.000 0.428 425 F N 3.914 123.903 119.950 0.065 0.000 3.152 425 F HA 0.373 4.900 4.527 -0.000 0.000 0.367 425 F C 0.092 175.920 175.800 0.048 0.000 1.272 425 F CA 0.710 58.752 58.000 0.069 0.000 1.172 425 F CB 0.969 40.030 39.000 0.101 0.000 1.552 425 F HN 0.838 nan 8.300 nan 0.000 0.616 426 G N 3.280 111.833 108.800 -0.413 0.000 2.556 426 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.283 426 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.283 426 G C 0.412 175.261 174.900 -0.084 0.000 1.177 426 G CA 0.073 44.977 45.100 -0.326 0.000 0.978 426 G HN 0.943 nan 8.290 nan 0.000 0.554 427 S N 2.487 118.161 115.700 -0.043 0.000 2.677 427 S HA 0.306 4.776 4.470 -0.000 0.000 0.246 427 S C 0.235 174.860 174.600 0.040 0.000 1.005 427 S CA -0.115 58.114 58.200 0.047 0.000 1.062 427 S CB -0.414 62.803 63.200 0.028 0.000 0.778 427 S HN 0.512 nan 8.310 nan 0.000 0.461 428 N N 1.076 119.820 118.700 0.075 0.000 2.296 428 N HA 0.521 5.261 4.740 -0.000 0.000 0.294 428 N C -1.192 174.404 175.510 0.144 0.000 1.033 428 N CA -0.281 52.814 53.050 0.076 0.000 0.839 428 N CB 2.359 40.907 38.487 0.102 0.000 1.395 428 N HN -0.059 nan 8.380 nan 0.000 0.479 429 V N 0.363 120.372 119.914 0.158 0.000 2.925 429 V HA 0.856 4.976 4.120 -0.000 0.000 0.311 429 V C -0.786 175.366 176.094 0.095 0.000 1.104 429 V CA -0.849 61.536 62.300 0.142 0.000 0.954 429 V CB 1.942 33.860 31.823 0.159 0.000 1.022 429 V HN 0.828 nan 8.190 nan 0.000 0.427 430 A N 3.226 126.082 122.820 0.060 0.000 2.408 430 A HA 0.866 5.186 4.320 -0.000 0.000 0.295 430 A C -1.387 176.192 177.584 -0.008 0.000 1.040 430 A CA -0.494 51.554 52.037 0.019 0.000 0.707 430 A CB 1.848 20.846 19.000 -0.005 0.000 1.235 430 A HN 0.728 nan 8.150 nan 0.000 0.418 431 V N 2.696 122.608 119.914 -0.003 0.000 2.448 431 V HA 0.582 4.701 4.120 -0.000 0.000 0.295 431 V C -0.428 175.587 176.094 -0.132 0.000 1.025 431 V CA -0.557 61.745 62.300 0.003 0.000 0.859 431 V CB 1.577 33.510 31.823 0.183 0.000 0.988 431 V HN 0.686 nan 8.190 nan 0.000 0.431 432 V N 3.633 123.306 119.914 -0.401 0.000 2.540 432 V HA 0.845 4.965 4.120 -0.000 0.000 0.302 432 V C 0.187 176.074 176.094 -0.344 0.000 1.035 432 V CA -0.540 61.440 62.300 -0.533 0.000 0.873 432 V CB 1.812 33.161 31.823 -0.790 0.000 0.992 432 V HN 0.991 nan 8.190 nan 0.000 0.428 433 A N 4.632 127.314 122.820 -0.230 0.000 2.318 433 A HA 0.907 5.227 4.320 -0.000 0.000 0.317 433 A C -0.941 176.675 177.584 0.054 0.000 1.159 433 A CA -0.532 51.518 52.037 0.021 0.000 0.799 433 A CB 1.511 20.611 19.000 0.166 0.000 1.194 433 A HN 0.712 nan 8.150 nan 0.000 0.479 434 V N 2.535 122.554 119.914 0.175 0.000 2.638 434 V HA 0.466 4.586 4.120 -0.000 0.000 0.306 434 V C -0.721 175.485 176.094 0.186 0.000 1.052 434 V CA -0.791 61.631 62.300 0.204 0.000 0.885 434 V CB 2.108 34.137 31.823 0.343 0.000 0.999 434 V HN 0.897 nan 8.190 nan 0.000 0.424 435 N N 2.809 121.603 118.700 0.158 0.000 2.623 435 N HA 0.306 5.046 4.740 -0.000 0.000 0.256 435 N C 0.949 176.540 175.510 0.135 0.000 1.045 435 N CA -0.823 52.301 53.050 0.122 0.000 0.863 435 N CB 1.341 39.882 38.487 0.091 0.000 1.182 435 N HN 0.650 nan 8.380 nan 0.000 0.523 436 R N 1.927 122.500 120.500 0.122 0.000 2.148 436 R HA 0.025 4.365 4.340 -0.000 0.000 0.227 436 R C 0.501 176.853 176.300 0.086 0.000 1.103 436 R CA 0.620 56.797 56.100 0.128 0.000 0.983 436 R CB -0.394 29.884 30.300 -0.037 0.000 0.874 436 R HN 0.283 nan 8.270 nan 0.000 0.451 437 N N 1.582 120.315 118.700 0.056 0.000 2.434 437 N HA -0.030 4.710 4.740 -0.000 0.000 0.268 437 N C 0.250 175.796 175.510 0.058 0.000 1.256 437 N CA 0.210 53.288 53.050 0.047 0.000 0.914 437 N CB 0.679 39.189 38.487 0.038 0.000 1.088 437 N HN 0.309 nan 8.380 nan 0.000 0.478 438 L N 3.041 124.299 121.223 0.058 0.000 2.554 438 L HA 0.054 4.394 4.340 -0.000 0.000 0.226 438 L C 0.653 177.550 176.870 0.045 0.000 1.137 438 L CA 0.473 55.348 54.840 0.059 0.000 0.863 438 L CB -0.014 42.083 42.059 0.063 0.000 0.985 438 L HN 0.469 nan 8.230 nan 0.000 0.451 439 N N -0.469 118.254 118.700 0.038 0.000 2.210 439 N HA 0.223 4.963 4.740 -0.000 0.000 0.203 439 N C 0.075 175.603 175.510 0.030 0.000 1.175 439 N CA 0.066 53.134 53.050 0.031 0.000 0.894 439 N CB 1.031 39.534 38.487 0.026 0.000 1.041 439 N HN 0.118 nan 8.380 nan 0.000 0.506 440 A N 1.050 123.890 122.820 0.033 0.000 2.343 440 A HA 0.683 5.003 4.320 -0.000 0.000 0.308 440 A C -2.710 174.893 177.584 0.033 0.000 1.092 440 A CA -1.429 50.627 52.037 0.031 0.000 0.751 440 A CB 1.276 20.294 19.000 0.031 0.000 1.203 440 A HN -0.134 nan 8.150 nan 0.000 0.452 441 P HA 0.546 nan 4.420 nan 0.000 0.276 441 P C -0.552 176.755 177.300 0.011 0.000 1.261 441 P CA -0.207 62.907 63.100 0.023 0.000 0.800 441 P CB 1.087 32.799 31.700 0.021 0.000 1.066 442 A N 0.274 123.083 122.820 -0.018 0.000 2.374 442 A HA 0.526 4.846 4.320 -0.000 0.000 0.305 442 A C -0.409 177.082 177.584 -0.155 0.000 1.053 442 A CA -0.462 51.543 52.037 -0.053 0.000 0.726 442 A CB 1.009 19.977 19.000 -0.053 0.000 1.229 442 A HN 0.330 nan 8.150 nan 0.000 0.431 443 S N 2.273 117.895 115.700 -0.130 0.000 2.411 443 S HA 0.435 4.905 4.470 -0.000 0.000 0.304 443 S C -0.471 173.916 174.600 -0.355 0.000 1.098 443 S CA -0.349 57.735 58.200 -0.193 0.000 1.068 443 S CB -1.024 62.133 63.200 -0.071 0.000 1.032 443 S HN 0.424 nan 8.310 nan 0.000 0.511 444 I N 5.440 125.571 120.570 -0.732 0.000 2.301 444 I HA 0.294 4.464 4.170 -0.000 0.000 0.292 444 I C 0.249 175.939 176.117 -0.712 0.000 1.046 444 I CA 0.436 61.053 61.300 -1.139 0.000 1.282 444 I CB 1.032 37.978 38.000 -1.757 0.000 1.409 444 I HN 0.630 nan 8.210 nan 0.000 0.484 445 S N 3.306 118.853 115.700 -0.255 0.000 2.541 445 S HA 0.805 5.275 4.470 -0.000 0.000 0.280 445 S C 0.288 175.010 174.600 0.202 0.000 1.112 445 S CA -0.203 57.976 58.200 -0.035 0.000 0.925 445 S CB 1.880 65.085 63.200 0.009 0.000 1.067 445 S HN 1.222 nan 8.310 nan 0.000 0.479 446 G N 0.334 109.222 108.800 0.147 0.000 2.131 446 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.223 446 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.223 446 G C -0.366 174.689 174.900 0.258 0.000 0.990 446 G CA -0.031 45.186 45.100 0.195 0.000 0.671 446 G HN 1.218 nan 8.290 nan 0.000 0.521 447 L N 1.351 122.702 121.223 0.213 0.000 2.319 447 L HA 0.704 5.044 4.340 -0.000 0.000 0.280 447 L C 0.166 177.119 176.870 0.137 0.000 1.099 447 L CA -0.558 54.420 54.840 0.230 0.000 0.828 447 L CB 1.488 43.628 42.059 0.135 0.000 1.150 447 L HN 0.101 nan 8.230 nan 0.000 0.442 448 V N 4.589 124.585 119.914 0.136 0.000 2.555 448 V HA 0.780 4.900 4.120 -0.000 0.000 0.302 448 V C 0.221 176.354 176.094 0.064 0.000 1.038 448 V CA -0.026 62.320 62.300 0.077 0.000 0.887 448 V CB 1.814 33.680 31.823 0.071 0.000 0.991 448 V HN 0.987 nan 8.190 nan 0.000 0.434 449 T N 0.138 114.704 114.554 0.020 0.000 2.804 449 T HA 0.388 4.738 4.350 -0.000 0.000 0.290 449 T C 0.328 175.020 174.700 -0.013 0.000 1.099 449 T CA -0.407 61.696 62.100 0.004 0.000 1.011 449 T CB 1.897 70.738 68.868 -0.046 0.000 1.291 449 T HN 0.296 nan 8.240 nan 0.000 0.523 450 S N -0.033 115.659 115.700 -0.014 0.000 2.577 450 S HA 0.330 4.800 4.470 -0.000 0.000 0.219 450 S C 0.554 175.118 174.600 -0.060 0.000 0.962 450 S CA -0.489 57.703 58.200 -0.014 0.000 0.921 450 S CB -0.620 62.595 63.200 0.024 0.000 0.789 450 S HN 0.457 nan 8.310 nan 0.000 0.497 451 L N 2.854 124.006 121.223 -0.119 0.000 2.416 451 L HA 0.259 4.599 4.340 -0.000 0.000 0.272 451 L C -2.368 174.407 176.870 -0.158 0.000 1.161 451 L CA -1.848 52.864 54.840 -0.214 0.000 0.845 451 L CB 0.087 41.873 42.059 -0.456 0.000 1.119 451 L HN -0.064 nan 8.230 nan 0.000 0.464 452 P HA 0.022 nan 4.420 nan 0.000 0.274 452 P C -0.879 176.416 177.300 -0.008 0.000 1.231 452 P CA -0.512 62.485 63.100 -0.173 0.000 0.790 452 P CB 0.460 31.923 31.700 -0.394 0.000 0.951 453 Q N 1.147 120.928 119.800 -0.032 0.000 2.304 453 Q HA 0.319 4.659 4.340 -0.000 0.000 0.315 453 Q C 0.271 176.254 176.000 -0.029 0.000 1.075 453 Q CA 1.069 56.865 55.803 -0.012 0.000 0.988 453 Q CB -0.388 28.331 28.738 -0.031 0.000 1.146 453 Q HN 0.732 nan 8.270 nan 0.000 0.383 454 G N 1.900 110.684 108.800 -0.026 0.000 2.352 454 G HA2 0.102 4.062 3.960 -0.000 0.000 0.283 454 G HA3 0.102 4.062 3.960 -0.000 0.000 0.283 454 G C -1.558 173.236 174.900 -0.177 0.000 1.308 454 G CA -0.512 44.501 45.100 -0.145 0.000 0.892 454 G HN 0.550 nan 8.290 nan 0.000 0.504 455 S N -0.510 114.994 115.700 -0.328 0.000 2.482 455 S HA 0.759 5.229 4.470 -0.000 0.000 0.303 455 S C -1.549 172.788 174.600 -0.438 0.000 1.091 455 S CA -0.315 57.736 58.200 -0.250 0.000 1.057 455 S CB 1.208 64.317 63.200 -0.152 0.000 1.031 455 S HN 0.484 nan 8.310 nan 0.000 0.485 456 Y N 1.598 121.832 120.300 -0.110 0.000 2.350 456 Y HA 0.412 4.962 4.550 -0.000 0.000 0.338 456 Y C 0.456 176.416 175.900 0.101 0.000 0.961 456 Y CA -1.052 57.045 58.100 -0.005 0.000 1.100 456 Y CB 1.071 39.527 38.460 -0.007 0.000 1.179 456 Y HN 0.506 nan 8.280 nan 0.000 0.454 457 N N 1.760 120.609 118.700 0.249 0.000 2.524 457 N HA 0.037 4.777 4.740 -0.000 0.000 0.283 457 N C -0.891 174.790 175.510 0.285 0.000 1.142 457 N CA -0.441 52.739 53.050 0.217 0.000 0.984 457 N CB 1.040 39.588 38.487 0.102 0.000 1.155 457 N HN 0.712 nan 8.380 nan 0.000 0.467 458 D N 0.873 121.393 120.400 0.199 0.000 2.401 458 D HA -0.011 4.629 4.640 -0.000 0.000 0.254 458 D C 1.074 177.348 176.300 -0.044 0.000 1.192 458 D CA -0.150 53.836 54.000 -0.025 0.000 0.885 458 D CB 0.785 41.545 40.800 -0.067 0.000 1.147 458 D HN 0.134 nan 8.370 nan 0.000 0.478 459 V N 4.416 124.272 119.914 -0.096 0.000 2.490 459 V HA -0.214 3.906 4.120 -0.000 0.000 0.250 459 V C 2.215 178.267 176.094 -0.070 0.000 1.061 459 V CA 1.290 63.553 62.300 -0.062 0.000 1.064 459 V CB -0.533 31.243 31.823 -0.078 0.000 0.670 459 V HN 0.662 nan 8.190 nan 0.000 0.461 460 L N 0.505 121.665 121.223 -0.104 0.000 2.622 460 L HA 0.157 4.497 4.340 -0.000 0.000 0.233 460 L C 1.813 178.656 176.870 -0.045 0.000 1.156 460 L CA 0.815 55.608 54.840 -0.078 0.000 0.866 460 L CB -0.812 41.187 42.059 -0.100 0.000 0.980 460 L HN 0.554 nan 8.230 nan 0.000 0.448 461 G N 0.061 108.840 108.800 -0.035 0.000 2.203 461 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.263 461 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.263 461 G C 0.975 175.872 174.900 -0.005 0.000 1.012 461 G CA 0.377 45.471 45.100 -0.010 0.000 0.749 461 G HN 0.700 nan 8.290 nan 0.000 0.512 462 G N -1.840 106.951 108.800 -0.015 0.000 2.159 462 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.256 462 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.256 462 G C 1.161 176.060 174.900 -0.002 0.000 0.977 462 G CA 0.974 46.072 45.100 -0.003 0.000 0.652 462 G HN 1.535 nan 8.290 nan 0.000 0.531 463 L N -0.036 121.182 121.223 -0.009 0.000 2.042 463 L HA 0.180 4.520 4.340 -0.000 0.000 0.210 463 L C 1.932 178.805 176.870 0.004 0.000 1.076 463 L CA 2.197 57.038 54.840 0.001 0.000 0.749 463 L CB -0.101 41.957 42.059 -0.002 0.000 0.893 463 L HN 0.416 nan 8.230 nan 0.000 0.432 464 L N 0.063 121.281 121.223 -0.008 0.000 3.108 464 L HA 0.261 4.601 4.340 -0.000 0.000 0.251 464 L C 0.128 177.001 176.870 0.005 0.000 1.315 464 L CA -0.267 54.573 54.840 0.000 0.000 1.048 464 L CB -0.663 41.389 42.059 -0.012 0.000 1.432 464 L HN 0.298 nan 8.230 nan 0.000 0.543 465 N N -0.163 118.545 118.700 0.013 0.000 2.721 465 N HA -0.179 4.561 4.740 -0.000 0.000 0.249 465 N C 0.627 176.155 175.510 0.030 0.000 1.072 465 N CA 0.812 53.878 53.050 0.026 0.000 0.710 465 N CB -0.934 37.575 38.487 0.037 0.000 0.993 465 N HN 0.643 nan 8.380 nan 0.000 0.547 466 G N -0.110 108.691 108.800 0.002 0.000 2.599 466 G HA2 0.470 4.430 3.960 -0.000 0.000 0.264 466 G HA3 0.470 4.430 3.960 -0.000 0.000 0.264 466 G C 0.225 175.159 174.900 0.057 0.000 1.200 466 G CA -0.247 44.848 45.100 -0.008 0.000 0.896 466 G HN 0.418 nan 8.290 nan 0.000 0.536 467 N N -1.509 117.271 118.700 0.134 0.000 2.761 467 N HA 0.359 5.099 4.740 -0.000 0.000 0.283 467 N C -0.885 174.780 175.510 0.259 0.000 1.377 467 N CA -0.594 52.547 53.050 0.151 0.000 0.791 467 N CB 1.132 39.691 38.487 0.121 0.000 1.540 467 N HN 0.307 nan 8.380 nan 0.000 0.539 468 T N 0.776 115.400 114.554 0.116 0.000 2.910 468 T HA 0.350 4.700 4.350 -0.000 0.000 0.293 468 T C -0.208 174.360 174.700 -0.221 0.000 1.015 468 T CA -0.313 61.828 62.100 0.069 0.000 1.094 468 T CB 0.446 69.320 68.868 0.010 0.000 0.968 468 T HN 0.369 nan 8.240 nan 0.000 0.521 469 L N 2.703 123.646 121.223 -0.467 0.000 2.313 469 L HA 0.582 4.922 4.340 -0.000 0.000 0.283 469 L C -0.063 176.576 176.870 -0.385 0.000 1.013 469 L CA -0.099 54.227 54.840 -0.857 0.000 0.816 469 L CB 1.815 42.794 42.059 -1.800 0.000 1.236 469 L HN 0.572 nan 8.230 nan 0.000 0.419 470 S N 4.344 119.866 115.700 -0.298 0.000 2.448 470 S HA 0.677 5.147 4.470 -0.000 0.000 0.320 470 S C -0.802 173.734 174.600 -0.107 0.000 1.071 470 S CA -0.547 57.570 58.200 -0.138 0.000 1.113 470 S CB 0.461 63.603 63.200 -0.097 0.000 0.972 470 S HN 0.427 nan 8.310 nan 0.000 0.465 471 V N 5.126 125.016 119.914 -0.040 0.000 2.435 471 V HA 0.711 4.831 4.120 -0.000 0.000 0.290 471 V C 1.130 177.216 176.094 -0.013 0.000 1.030 471 V CA -0.326 61.958 62.300 -0.027 0.000 0.881 471 V CB 1.391 33.220 31.823 0.010 0.000 0.983 471 V HN 0.920 nan 8.190 nan 0.000 0.445 472 G N 2.662 111.451 108.800 -0.018 0.000 2.849 472 G HA2 0.429 4.389 3.960 -0.000 0.000 0.174 472 G HA3 0.429 4.389 3.960 -0.000 0.000 0.174 472 G C -0.036 174.855 174.900 -0.015 0.000 1.370 472 G CA -0.452 44.639 45.100 -0.015 0.000 1.040 472 G HN 0.613 nan 8.290 nan 0.000 0.582 473 S N -0.804 114.889 115.700 -0.012 0.000 2.576 473 S HA 0.429 4.899 4.470 -0.000 0.000 0.276 473 S C 1.257 175.851 174.600 -0.009 0.000 1.339 473 S CA 0.796 58.989 58.200 -0.012 0.000 1.039 473 S CB 0.918 64.113 63.200 -0.009 0.000 0.902 473 S HN 1.909 nan 8.310 nan 0.000 0.516 474 G N 1.094 109.888 108.800 -0.011 0.000 2.166 474 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.260 474 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.260 474 G C 1.037 175.933 174.900 -0.008 0.000 0.986 474 G CA 0.514 45.611 45.100 -0.006 0.000 0.683 474 G HN 1.963 nan 8.290 nan 0.000 0.527 475 G N -1.385 107.404 108.800 -0.018 0.000 2.189 475 G HA2 0.129 4.089 3.960 -0.000 0.000 0.267 475 G HA3 0.129 4.089 3.960 -0.000 0.000 0.267 475 G C 0.846 175.735 174.900 -0.019 0.000 0.975 475 G CA 1.243 46.326 45.100 -0.027 0.000 0.644 475 G HN 2.348 nan 8.290 nan 0.000 0.537 476 A N 0.216 123.034 122.820 -0.005 0.000 2.484 476 A HA 0.702 5.022 4.320 -0.000 0.000 0.268 476 A C 0.968 178.550 177.584 -0.003 0.000 1.114 476 A CA 1.107 53.149 52.037 0.009 0.000 0.780 476 A CB 0.170 19.179 19.000 0.015 0.000 1.061 476 A HN 2.067 nan 8.150 nan 0.000 0.505 477 A N 3.151 125.972 122.820 0.001 0.000 2.354 477 A HA 0.550 4.870 4.320 -0.000 0.000 0.269 477 A C 0.836 178.437 177.584 0.029 0.000 1.109 477 A CA 0.130 52.157 52.037 -0.017 0.000 0.800 477 A CB 0.253 19.238 19.000 -0.025 0.000 1.045 477 A HN 1.238 nan 8.150 nan 0.000 0.489 478 S N 1.906 117.616 115.700 0.017 0.000 2.564 478 S HA 0.092 4.562 4.470 -0.000 0.000 0.278 478 S C 0.475 175.149 174.600 0.123 0.000 1.333 478 S CA -0.517 57.708 58.200 0.043 0.000 1.048 478 S CB -0.310 62.897 63.200 0.012 0.000 0.900 478 S HN 0.765 nan 8.310 nan 0.000 0.505 479 N N 2.358 121.100 118.700 0.069 0.000 2.294 479 N HA 0.286 5.026 4.740 -0.000 0.000 0.248 479 N C -0.535 175.050 175.510 0.125 0.000 1.242 479 N CA 0.781 53.845 53.050 0.024 0.000 0.848 479 N CB 0.093 38.572 38.487 -0.012 0.000 1.084 479 N HN 0.559 nan 8.380 nan 0.000 0.457 480 F N -2.004 117.887 119.950 -0.098 0.000 2.713 480 F HA 0.463 4.990 4.527 -0.000 0.000 0.311 480 F C -1.082 174.668 175.800 -0.083 0.000 1.141 480 F CA -1.115 56.836 58.000 -0.081 0.000 0.939 480 F CB 1.040 39.986 39.000 -0.091 0.000 1.325 480 F HN 0.051 nan 8.300 nan 0.000 0.453 481 T N 2.990 117.612 114.554 0.112 0.000 2.794 481 T HA 0.538 4.888 4.350 -0.000 0.000 0.280 481 T C -1.241 173.551 174.700 0.154 0.000 0.987 481 T CA -0.358 61.744 62.100 0.003 0.000 0.993 481 T CB 1.360 70.246 68.868 0.030 0.000 0.939 481 T HN 0.674 nan 8.240 nan 0.000 0.449 482 L N 4.325 125.569 121.223 0.034 0.000 2.264 482 L HA 0.672 5.012 4.340 -0.000 0.000 0.287 482 L C 0.512 177.428 176.870 0.078 0.000 1.039 482 L CA -0.523 54.397 54.840 0.133 0.000 0.829 482 L CB -0.260 41.843 42.059 0.075 0.000 1.211 482 L HN 0.803 nan 8.230 nan 0.000 0.427 483 A N 4.332 127.209 122.820 0.095 0.000 2.536 483 A HA 0.491 4.811 4.320 -0.000 0.000 0.234 483 A C 0.638 178.258 177.584 0.060 0.000 1.076 483 A CA 0.285 52.362 52.037 0.067 0.000 0.769 483 A CB -0.166 18.874 19.000 0.066 0.000 1.020 483 A HN 1.135 nan 8.150 nan 0.000 0.508 484 A N 0.318 123.168 122.820 0.050 0.000 2.511 484 A HA 0.481 4.801 4.320 -0.000 0.000 0.242 484 A C 1.675 179.295 177.584 0.059 0.000 1.069 484 A CA 0.716 52.784 52.037 0.052 0.000 0.763 484 A CB -0.900 18.127 19.000 0.044 0.000 1.001 484 A HN 2.784 nan 8.150 nan 0.000 0.498 485 G N 1.690 110.533 108.800 0.071 0.000 2.187 485 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.261 485 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.261 485 G C 0.833 175.777 174.900 0.073 0.000 1.000 485 G CA 0.844 45.993 45.100 0.082 0.000 0.718 485 G HN 1.932 nan 8.290 nan 0.000 0.519 486 G N -0.927 107.916 108.800 0.072 0.000 2.442 486 G HA2 0.564 4.524 3.960 -0.000 0.000 0.249 486 G HA3 0.564 4.524 3.960 -0.000 0.000 0.249 486 G C -0.139 174.792 174.900 0.052 0.000 1.263 486 G CA 0.805 45.942 45.100 0.062 0.000 0.846 486 G HN 0.745 nan 8.290 nan 0.000 0.555 487 T N 0.264 114.821 114.554 0.004 0.000 3.109 487 T HA 0.631 4.981 4.350 -0.000 0.000 0.311 487 T C -0.369 174.235 174.700 -0.160 0.000 1.011 487 T CA -0.030 62.042 62.100 -0.046 0.000 1.026 487 T CB 1.590 70.440 68.868 -0.030 0.000 1.047 487 T HN 1.095 nan 8.240 nan 0.000 0.448 488 A N 2.502 125.124 122.820 -0.329 0.000 2.475 488 A HA 0.908 5.228 4.320 -0.000 0.000 0.301 488 A C -1.212 175.803 177.584 -0.949 0.000 1.059 488 A CA -0.734 50.909 52.037 -0.656 0.000 0.710 488 A CB 1.612 20.112 19.000 -0.834 0.000 1.288 488 A HN 0.659 nan 8.150 nan 0.000 0.408 489 V N 2.280 121.646 119.914 -0.912 0.000 2.483 489 V HA 0.530 4.650 4.120 -0.000 0.000 0.297 489 V C -1.022 174.671 176.094 -0.668 0.000 1.027 489 V CA -0.541 61.343 62.300 -0.693 0.000 0.855 489 V CB 1.240 32.858 31.823 -0.342 0.000 0.995 489 V HN 0.834 nan 8.190 nan 0.000 0.424 490 W N 3.679 124.922 121.300 -0.096 0.000 2.781 490 W HA 0.793 5.453 4.660 -0.000 0.000 0.345 490 W C -0.219 176.247 176.519 -0.087 0.000 1.085 490 W CA -0.647 56.650 57.345 -0.080 0.000 1.198 490 W CB 2.143 31.503 29.460 -0.168 0.000 1.423 490 W HN 0.729 nan 8.180 nan 0.000 0.532 491 Q N 0.916 120.845 119.800 0.214 0.000 2.575 491 Q HA 0.636 4.976 4.340 -0.000 0.000 0.290 491 Q C -2.217 173.968 176.000 0.309 0.000 0.963 491 Q CA -1.102 54.796 55.803 0.158 0.000 0.783 491 Q CB 3.226 32.020 28.738 0.094 0.000 1.467 491 Q HN 0.356 nan 8.270 nan 0.000 0.402 492 Y N 0.497 120.863 120.300 0.109 0.000 2.441 492 Y HA 0.642 5.192 4.550 -0.000 0.000 0.334 492 Y C -1.793 174.161 175.900 0.090 0.000 1.061 492 Y CA -0.070 58.125 58.100 0.158 0.000 1.032 492 Y CB 2.368 40.935 38.460 0.178 0.000 1.266 492 Y HN 0.938 nan 8.280 nan 0.000 0.441 493 T N 2.565 116.775 114.554 -0.573 0.000 2.893 493 T HA 1.010 5.360 4.350 -0.000 0.000 0.291 493 T C -0.838 173.455 174.700 -0.677 0.000 1.028 493 T CA -0.338 61.456 62.100 -0.510 0.000 0.995 493 T CB 1.758 70.501 68.868 -0.208 0.000 1.051 493 T HN 1.391 nan 8.240 nan 0.000 0.470 494 A N 1.165 123.717 122.820 -0.447 0.000 2.608 494 A HA 0.887 5.207 4.320 -0.000 0.000 0.292 494 A C -0.227 177.281 177.584 -0.126 0.000 1.066 494 A CA -0.713 51.162 52.037 -0.271 0.000 0.676 494 A CB 0.672 19.522 19.000 -0.250 0.000 1.277 494 A HN 1.724 nan 8.150 nan 0.000 0.413 495 A N 0.586 123.364 122.820 -0.070 0.000 2.498 495 A HA 0.548 4.868 4.320 -0.000 0.000 0.239 495 A C 0.462 178.023 177.584 -0.040 0.000 1.068 495 A CA 0.761 52.771 52.037 -0.045 0.000 0.766 495 A CB -0.394 18.590 19.000 -0.026 0.000 1.003 495 A HN 1.031 nan 8.150 nan 0.000 0.497 496 T N 2.104 116.628 114.554 -0.051 0.000 2.767 496 T HA 0.481 4.831 4.350 -0.000 0.000 0.284 496 T C 1.210 175.877 174.700 -0.055 0.000 0.973 496 T CA 0.256 62.314 62.100 -0.069 0.000 0.996 496 T CB 1.615 70.409 68.868 -0.123 0.000 0.927 496 T HN 0.861 nan 8.240 nan 0.000 0.456 497 A N 3.117 125.915 122.820 -0.037 0.000 1.984 497 A HA 0.223 4.543 4.320 -0.000 0.000 0.214 497 A C 1.329 178.908 177.584 -0.009 0.000 1.173 497 A CA 0.418 52.447 52.037 -0.013 0.000 0.673 497 A CB 0.002 19.001 19.000 -0.000 0.000 0.830 497 A HN 0.656 nan 8.150 nan 0.000 0.453 498 T N 2.323 116.858 114.554 -0.031 0.000 2.882 498 T HA 0.451 4.801 4.350 -0.000 0.000 0.287 498 T C -2.770 171.908 174.700 -0.037 0.000 0.992 498 T CA -1.007 61.082 62.100 -0.018 0.000 1.076 498 T CB 1.247 70.097 68.868 -0.031 0.000 0.961 498 T HN -0.011 nan 8.240 nan 0.000 0.490 499 P HA 0.202 nan 4.420 nan 0.000 0.267 499 P C -0.803 176.504 177.300 0.011 0.000 1.209 499 P CA -0.004 63.148 63.100 0.087 0.000 0.763 499 P CB 0.316 32.187 31.700 0.284 0.000 0.816 500 T N 4.732 119.204 114.554 -0.138 0.000 2.965 500 T HA 0.421 4.771 4.350 -0.000 0.000 0.306 500 T C 0.147 174.870 174.700 0.038 0.000 0.991 500 T CA -0.399 61.630 62.100 -0.118 0.000 1.001 500 T CB 0.322 68.943 68.868 -0.413 0.000 0.984 500 T HN 0.171 nan 8.240 nan 0.000 0.446 501 I N 2.625 123.324 120.570 0.216 0.000 2.396 501 I HA 0.334 4.504 4.170 -0.000 0.000 0.289 501 I C 1.383 177.669 176.117 0.282 0.000 1.056 501 I CA 0.050 61.514 61.300 0.273 0.000 1.365 501 I CB 1.115 39.246 38.000 0.218 0.000 1.407 501 I HN 0.866 nan 8.210 nan 0.000 0.509 502 G N 5.112 113.921 108.800 0.015 0.000 2.850 502 G HA2 0.041 4.001 3.960 -0.000 0.000 0.211 502 G HA3 0.041 4.001 3.960 -0.000 0.000 0.211 502 G C 0.305 175.030 174.900 -0.292 0.000 1.124 502 G CA 0.289 45.189 45.100 -0.332 0.000 0.769 502 G HN 0.635 nan 8.290 nan 0.000 0.535 503 H N -1.183 117.631 119.070 -0.427 0.000 3.060 503 H HA 0.498 5.054 4.556 -0.000 0.000 0.330 503 H C -2.163 172.838 175.328 -0.546 0.000 1.305 503 H CA -0.264 55.581 56.048 -0.338 0.000 1.209 503 H CB 2.005 31.646 29.762 -0.203 0.000 1.913 503 H HN -0.087 nan 8.280 nan 0.000 0.534 504 V N 1.606 120.935 119.914 -0.974 0.000 2.888 504 V HA 0.724 4.844 4.120 -0.000 0.000 0.309 504 V C -0.058 175.881 176.094 -0.258 0.000 1.114 504 V CA -0.110 61.854 62.300 -0.559 0.000 0.940 504 V CB 1.981 33.344 31.823 -0.766 0.000 1.021 504 V HN 0.979 nan 8.190 nan 0.000 0.426 505 G N 3.714 112.546 108.800 0.053 0.000 2.733 505 G HA2 0.673 4.633 3.960 -0.000 0.000 0.297 505 G HA3 0.673 4.633 3.960 -0.000 0.000 0.297 505 G C -3.430 171.588 174.900 0.197 0.000 1.452 505 G CA -0.891 44.333 45.100 0.205 0.000 0.940 505 G HN 0.503 nan 8.290 nan 0.000 0.547 506 P HA 0.214 nan 4.420 nan 0.000 0.273 506 P C 0.328 177.779 177.300 0.253 0.000 1.250 506 P CA -0.328 62.892 63.100 0.199 0.000 0.793 506 P CB 1.117 32.897 31.700 0.132 0.000 1.011 507 M N -0.457 119.209 119.600 0.110 0.000 2.371 507 M HA 0.279 4.759 4.480 -0.000 0.000 0.246 507 M C 0.587 176.620 176.300 -0.445 0.000 1.103 507 M CA 0.370 55.669 55.300 -0.002 0.000 1.010 507 M CB -0.640 31.991 32.600 0.051 0.000 1.457 507 M HN 0.452 nan 8.290 nan 0.000 0.486 508 M N 0.748 120.149 119.600 -0.332 0.000 2.255 508 M HA 0.609 5.088 4.480 -0.000 0.000 0.275 508 M C -2.150 174.043 176.300 -0.178 0.000 1.050 508 M CA -0.222 54.861 55.300 -0.362 0.000 0.978 508 M CB 2.181 34.656 32.600 -0.207 0.000 1.761 508 M HN 0.020 nan 8.290 nan 0.000 0.479 509 A N 3.671 126.402 122.820 -0.149 0.000 2.567 509 A HA 0.604 4.924 4.320 -0.000 0.000 0.291 509 A C -1.847 175.743 177.584 0.011 0.000 1.048 509 A CA -0.984 51.046 52.037 -0.013 0.000 0.661 509 A CB 1.579 20.627 19.000 0.081 0.000 1.288 509 A HN 0.896 nan 8.150 nan 0.000 0.424 510 K N 0.334 120.739 120.400 0.009 0.000 2.090 510 K HA 0.664 4.984 4.320 -0.000 0.000 0.250 510 K C -2.705 173.892 176.600 -0.005 0.000 1.004 510 K CA -1.553 54.736 56.287 0.002 0.000 0.919 510 K CB 0.299 32.796 32.500 -0.005 0.000 1.045 510 K HN 0.266 nan 8.250 nan 0.000 0.471 511 P HA -0.018 nan 4.420 nan 0.000 0.266 511 P C 0.418 177.682 177.300 -0.059 0.000 1.195 511 P CA 1.193 64.248 63.100 -0.075 0.000 0.768 511 P CB 0.654 32.304 31.700 -0.083 0.000 0.838 512 G N 0.724 109.477 108.800 -0.078 0.000 2.254 512 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.225 512 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.225 512 G C 0.096 174.975 174.900 -0.035 0.000 1.003 512 G CA -0.151 44.917 45.100 -0.054 0.000 0.622 512 G HN 0.529 nan 8.290 nan 0.000 0.507 513 V N 2.143 122.047 119.914 -0.017 0.000 2.775 513 V HA 0.513 4.633 4.120 -0.000 0.000 0.299 513 V C 0.940 177.041 176.094 0.011 0.000 1.062 513 V CA 0.561 62.865 62.300 0.007 0.000 1.063 513 V CB 1.484 33.330 31.823 0.037 0.000 0.994 513 V HN 0.310 nan 8.190 nan 0.000 0.483 514 T N 5.944 120.506 114.554 0.012 0.000 2.806 514 T HA 0.591 4.941 4.350 -0.000 0.000 0.290 514 T C -0.086 174.639 174.700 0.041 0.000 0.966 514 T CA -0.061 62.047 62.100 0.013 0.000 1.060 514 T CB 0.542 69.408 68.868 -0.004 0.000 0.927 514 T HN 0.611 nan 8.240 nan 0.000 0.485 515 I N -0.177 120.420 120.570 0.045 0.000 2.863 515 I HA 0.749 4.919 4.170 -0.000 0.000 0.311 515 I C -0.464 175.649 176.117 -0.007 0.000 1.026 515 I CA -0.820 60.513 61.300 0.054 0.000 1.077 515 I CB 2.169 40.207 38.000 0.063 0.000 1.262 515 I HN 0.323 nan 8.210 nan 0.000 0.461 516 T N 5.282 119.834 114.554 -0.003 0.000 2.786 516 T HA 0.576 4.926 4.350 -0.000 0.000 0.283 516 T C -0.217 174.432 174.700 -0.085 0.000 0.992 516 T CA -0.194 61.881 62.100 -0.041 0.000 0.954 516 T CB 0.893 69.761 68.868 0.000 0.000 0.934 516 T HN 0.373 nan 8.240 nan 0.000 0.440 517 I N 3.777 124.243 120.570 -0.174 0.000 2.328 517 I HA 0.336 4.505 4.170 -0.000 0.000 0.287 517 I C -0.307 175.737 176.117 -0.122 0.000 1.012 517 I CA -0.734 60.424 61.300 -0.236 0.000 1.195 517 I CB 1.087 38.842 38.000 -0.409 0.000 1.350 517 I HN 0.473 nan 8.210 nan 0.000 0.464 518 D N 4.772 125.144 120.400 -0.046 0.000 2.228 518 D HA 0.775 5.415 4.640 -0.000 0.000 0.247 518 D C 0.289 176.567 176.300 -0.037 0.000 0.995 518 D CA -0.036 53.969 54.000 0.007 0.000 0.903 518 D CB 2.603 43.358 40.800 -0.074 0.000 1.205 518 D HN 0.754 nan 8.370 nan 0.000 0.459 519 G N 0.339 109.091 108.800 -0.080 0.000 2.452 519 G HA2 0.272 4.232 3.960 -0.000 0.000 0.224 519 G HA3 0.272 4.232 3.960 -0.000 0.000 0.224 519 G C -1.364 173.312 174.900 -0.372 0.000 1.208 519 G CA -0.633 44.323 45.100 -0.240 0.000 0.946 519 G HN 0.302 nan 8.290 nan 0.000 0.481 520 R N -0.852 119.320 120.500 -0.547 0.000 2.740 520 R HA 0.617 4.957 4.340 -0.000 0.000 0.273 520 R C 0.448 176.397 176.300 -0.584 0.000 0.998 520 R CA -0.063 55.779 56.100 -0.431 0.000 0.900 520 R CB 1.304 31.568 30.300 -0.060 0.000 1.223 520 R HN 2.259 nan 8.270 nan 0.000 0.466 521 G N 1.320 109.912 108.800 -0.347 0.000 2.198 521 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.257 521 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.257 521 G C 0.136 175.007 174.900 -0.049 0.000 1.042 521 G CA 0.227 45.224 45.100 -0.170 0.000 0.791 521 G HN 0.450 nan 8.290 nan 0.000 0.502 522 F N 0.821 120.789 119.950 0.030 0.000 2.615 522 F HA 0.413 4.940 4.527 -0.000 0.000 0.297 522 F C 1.968 177.983 175.800 0.358 0.000 1.124 522 F CA 0.903 58.949 58.000 0.077 0.000 1.451 522 F CB -0.304 38.523 39.000 -0.288 0.000 1.103 522 F HN 1.104 nan 8.300 nan 0.000 0.569 523 G N -0.067 108.974 108.800 0.401 0.000 2.746 523 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.685 523 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.685 523 G C 0.643 175.795 174.900 0.420 0.000 1.350 523 G CA -0.166 45.144 45.100 0.349 0.000 0.837 523 G HN 0.390 nan 8.290 nan 0.000 0.564 524 S N -1.499 114.351 115.700 0.251 0.000 2.524 524 S HA 0.470 4.940 4.470 -0.000 0.000 0.216 524 S C 1.159 175.850 174.600 0.152 0.000 0.987 524 S CA 1.153 59.486 58.200 0.221 0.000 0.909 524 S CB 0.077 63.348 63.200 0.119 0.000 0.781 524 S HN 2.194 nan 8.310 nan 0.000 0.521 525 S N 0.895 116.602 115.700 0.011 0.000 2.537 525 S HA 0.537 5.007 4.470 -0.000 0.000 0.301 525 S C -0.659 173.518 174.600 -0.706 0.000 1.092 525 S CA -0.976 57.100 58.200 -0.206 0.000 1.048 525 S CB 1.104 64.214 63.200 -0.150 0.000 1.053 525 S HN 0.237 nan 8.310 nan 0.000 0.501 526 K N 1.228 121.157 120.400 -0.784 0.000 2.524 526 K HA 0.265 4.585 4.320 -0.000 0.000 0.279 526 K C 0.844 176.710 176.600 -1.222 0.000 0.993 526 K CA 0.508 56.048 56.287 -1.244 0.000 1.030 526 K CB 0.156 32.330 32.500 -0.543 0.000 0.891 526 K HN 0.808 nan 8.250 nan 0.000 0.488 527 G N 1.560 109.222 108.800 -1.897 0.000 3.341 527 G HA2 0.350 4.310 3.960 -0.000 0.000 0.177 527 G HA3 0.350 4.310 3.960 -0.000 0.000 0.177 527 G C -0.831 173.819 174.900 -0.417 0.000 1.236 527 G CA -0.224 44.357 45.100 -0.865 0.000 0.888 527 G HN 0.494 nan 8.290 nan 0.000 0.644 528 T N -0.275 114.242 114.554 -0.062 0.000 2.893 528 T HA 0.560 4.910 4.350 -0.000 0.000 0.293 528 T C -1.081 173.645 174.700 0.043 0.000 1.027 528 T CA -0.238 61.826 62.100 -0.060 0.000 0.988 528 T CB 2.141 70.904 68.868 -0.174 0.000 1.043 528 T HN 0.315 nan 8.240 nan 0.000 0.461 529 V N 3.129 122.996 119.914 -0.079 0.000 2.459 529 V HA 0.485 4.605 4.120 -0.000 0.000 0.295 529 V C -1.321 174.657 176.094 -0.194 0.000 1.029 529 V CA -0.868 61.393 62.300 -0.066 0.000 0.874 529 V CB 0.993 32.794 31.823 -0.037 0.000 0.985 529 V HN 0.811 nan 8.190 nan 0.000 0.438 530 Y N 3.818 124.070 120.300 -0.080 0.000 2.335 530 Y HA 0.585 5.135 4.550 -0.000 0.000 0.338 530 Y C -0.344 175.465 175.900 -0.150 0.000 0.977 530 Y CA -0.871 57.217 58.100 -0.021 0.000 1.114 530 Y CB 1.484 39.947 38.460 0.004 0.000 1.182 530 Y HN 0.531 nan 8.280 nan 0.000 0.463 531 F N 2.841 122.831 119.950 0.067 0.000 2.300 531 F HA 0.524 5.051 4.527 -0.000 0.000 0.364 531 F C 0.959 176.864 175.800 0.174 0.000 1.090 531 F CA -0.164 57.837 58.000 0.001 0.000 1.200 531 F CB 0.617 39.479 39.000 -0.230 0.000 1.493 531 F HN 0.814 nan 8.300 nan 0.000 0.518 532 G N 1.985 111.018 108.800 0.388 0.000 2.588 532 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.273 532 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.273 532 G C 1.074 176.148 174.900 0.289 0.000 1.211 532 G CA 0.360 45.700 45.100 0.401 0.000 0.958 532 G HN 0.666 nan 8.290 nan 0.000 0.543 533 T N -1.749 112.974 114.554 0.281 0.000 3.040 533 T HA 0.428 4.778 4.350 -0.000 0.000 0.250 533 T C 1.020 175.887 174.700 0.279 0.000 1.058 533 T CA 1.442 63.686 62.100 0.240 0.000 0.988 533 T CB 0.224 69.192 68.868 0.166 0.000 0.993 533 T HN 0.788 nan 8.240 nan 0.000 0.519 534 T N 3.345 118.050 114.554 0.252 0.000 2.814 534 T HA 0.615 4.965 4.350 -0.000 0.000 0.297 534 T C 0.206 174.977 174.700 0.119 0.000 0.956 534 T CA -0.372 61.823 62.100 0.160 0.000 1.123 534 T CB 0.755 69.678 68.868 0.092 0.000 0.902 534 T HN 0.540 nan 8.240 nan 0.000 0.528 535 A N 3.542 126.353 122.820 -0.014 0.000 2.306 535 A HA 0.694 5.014 4.320 -0.000 0.000 0.314 535 A C -0.390 177.078 177.584 -0.193 0.000 1.164 535 A CA -0.595 51.256 52.037 -0.310 0.000 0.822 535 A CB 0.692 19.488 19.000 -0.342 0.000 1.130 535 A HN 0.674 nan 8.150 nan 0.000 0.496 536 V N 2.306 122.090 119.914 -0.218 0.000 2.531 536 V HA 0.727 4.847 4.120 -0.000 0.000 0.301 536 V C -0.012 176.014 176.094 -0.112 0.000 1.034 536 V CA 0.102 62.341 62.300 -0.102 0.000 0.865 536 V CB 1.438 33.266 31.823 0.008 0.000 0.995 536 V HN 1.328 nan 8.190 nan 0.000 0.424 537 S N 2.589 118.234 115.700 -0.093 0.000 2.643 537 S HA 0.975 5.445 4.470 -0.000 0.000 0.270 537 S C 0.053 174.609 174.600 -0.073 0.000 1.166 537 S CA 0.178 58.324 58.200 -0.091 0.000 0.815 537 S CB 1.634 64.760 63.200 -0.125 0.000 1.139 537 S HN 2.250 nan 8.310 nan 0.000 0.472 538 G N 1.258 110.010 108.800 -0.080 0.000 2.498 538 G HA2 0.125 4.085 3.960 -0.000 0.000 0.251 538 G HA3 0.125 4.085 3.960 -0.000 0.000 0.251 538 G C 1.048 175.922 174.900 -0.043 0.000 1.170 538 G CA 0.904 45.966 45.100 -0.065 0.000 0.944 538 G HN 1.958 nan 8.290 nan 0.000 0.567 539 A N -0.923 121.875 122.820 -0.037 0.000 1.908 539 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 539 A C 1.961 179.532 177.584 -0.021 0.000 1.181 539 A CA 2.687 54.708 52.037 -0.027 0.000 0.627 539 A CB -0.668 18.315 19.000 -0.028 0.000 0.818 539 A HN 0.708 nan 8.150 nan 0.000 0.445 540 D N -0.332 120.051 120.400 -0.027 0.000 2.311 540 D HA -0.047 4.593 4.640 -0.000 0.000 0.212 540 D C 0.454 176.750 176.300 -0.006 0.000 0.972 540 D CA 0.661 54.644 54.000 -0.027 0.000 0.887 540 D CB -0.235 40.538 40.800 -0.046 0.000 0.915 540 D HN 0.475 nan 8.370 nan 0.000 0.497 541 I N 1.612 122.189 120.570 0.012 0.000 2.269 541 I HA -0.013 4.157 4.170 -0.000 0.000 0.293 541 I C 1.753 177.899 176.117 0.047 0.000 1.106 541 I CA -0.167 61.166 61.300 0.054 0.000 1.248 541 I CB 1.058 39.125 38.000 0.111 0.000 1.444 541 I HN -0.089 nan 8.210 nan 0.000 0.497 542 T N 1.125 115.697 114.554 0.030 0.000 2.788 542 T HA -0.074 4.276 4.350 -0.000 0.000 0.268 542 T C 0.761 175.485 174.700 0.039 0.000 1.044 542 T CA 0.921 63.033 62.100 0.021 0.000 1.139 542 T CB -0.078 68.792 68.868 0.005 0.000 0.867 542 T HN 0.583 nan 8.240 nan 0.000 0.454 543 S N -0.902 114.835 115.700 0.061 0.000 2.537 543 S HA 0.548 5.018 4.470 -0.000 0.000 0.270 543 S C -2.010 172.686 174.600 0.161 0.000 1.142 543 S CA -1.062 57.191 58.200 0.088 0.000 0.870 543 S CB 2.008 65.233 63.200 0.041 0.000 1.112 543 S HN 0.518 nan 8.310 nan 0.000 0.466 544 W N 3.475 124.758 121.300 -0.030 0.000 3.132 544 W HA 0.527 5.187 4.660 -0.000 0.000 0.337 544 W C -1.454 175.074 176.519 0.015 0.000 1.082 544 W CA -0.514 56.815 57.345 -0.027 0.000 1.242 544 W CB 1.623 31.056 29.460 -0.044 0.000 1.354 544 W HN 1.137 nan 8.180 nan 0.000 0.461 545 E N 1.634 121.901 120.200 0.110 0.000 2.458 545 E HA 0.213 4.563 4.350 -0.000 0.000 0.278 545 E C -0.243 176.436 176.600 0.131 0.000 1.004 545 E CA -0.645 55.869 56.400 0.189 0.000 0.823 545 E CB 1.657 31.422 29.700 0.108 0.000 1.396 545 E HN 0.153 nan 8.360 nan 0.000 0.463 546 D N 0.086 120.579 120.400 0.156 0.000 2.172 546 D HA -0.190 4.450 4.640 -0.000 0.000 0.196 546 D C 1.628 177.929 176.300 0.002 0.000 0.999 546 D CA 2.756 56.821 54.000 0.109 0.000 0.856 546 D CB 0.137 40.969 40.800 0.053 0.000 0.934 546 D HN 0.578 nan 8.370 nan 0.000 0.453 547 T N -3.881 110.691 114.554 0.031 0.000 3.010 547 T HA 0.147 4.497 4.350 -0.000 0.000 0.257 547 T C 0.555 175.331 174.700 0.127 0.000 1.020 547 T CA -0.498 61.594 62.100 -0.014 0.000 0.938 547 T CB 0.453 69.311 68.868 -0.017 0.000 1.049 547 T HN 0.125 nan 8.240 nan 0.000 0.522 548 Q N 0.168 120.046 119.800 0.131 0.000 2.309 548 Q HA 0.645 4.985 4.340 -0.000 0.000 0.273 548 Q C -2.100 173.788 176.000 -0.188 0.000 1.040 548 Q CA -0.877 54.936 55.803 0.016 0.000 0.834 548 Q CB 2.143 30.869 28.738 -0.021 0.000 1.345 548 Q HN 0.443 nan 8.270 nan 0.000 0.414 549 I N 2.710 123.074 120.570 -0.344 0.000 2.545 549 I HA 0.463 4.633 4.170 -0.000 0.000 0.292 549 I C -0.891 175.081 176.117 -0.241 0.000 1.040 549 I CA -0.791 60.233 61.300 -0.460 0.000 1.068 549 I CB 2.242 39.702 38.000 -0.900 0.000 1.251 549 I HN 0.397 nan 8.210 nan 0.000 0.424 550 K N 5.173 125.500 120.400 -0.123 0.000 2.450 550 K HA 0.676 4.996 4.320 -0.000 0.000 0.257 550 K C -1.434 175.151 176.600 -0.025 0.000 0.953 550 K CA -0.533 55.716 56.287 -0.064 0.000 0.844 550 K CB 2.771 35.251 32.500 -0.033 0.000 1.103 550 K HN 0.326 nan 8.250 nan 0.000 0.429 551 V N 2.928 122.830 119.914 -0.020 0.000 2.925 551 V HA 0.399 4.518 4.120 -0.000 0.000 0.311 551 V C -1.361 174.742 176.094 0.015 0.000 1.104 551 V CA -0.898 61.412 62.300 0.017 0.000 0.954 551 V CB 1.981 33.837 31.823 0.054 0.000 1.022 551 V HN 0.636 nan 8.190 nan 0.000 0.427 552 K N 5.521 125.912 120.400 -0.016 0.000 2.249 552 K HA 0.508 4.828 4.320 -0.000 0.000 0.280 552 K C -0.426 176.078 176.600 -0.159 0.000 1.033 552 K CA -0.341 55.911 56.287 -0.059 0.000 0.946 552 K CB 1.335 33.796 32.500 -0.064 0.000 1.005 552 K HN 0.599 nan 8.250 nan 0.000 0.469 553 I N 6.099 126.545 120.570 -0.207 0.000 2.587 553 I HA -0.000 4.170 4.170 -0.000 0.000 0.284 553 I C -1.562 174.271 176.117 -0.473 0.000 1.134 553 I CA -1.591 59.413 61.300 -0.492 0.000 1.410 553 I CB 0.160 38.016 38.000 -0.240 0.000 1.392 553 I HN 0.365 nan 8.210 nan 0.000 0.545 554 P HA 0.021 nan 4.420 nan 0.000 0.269 554 P C -0.582 176.535 177.300 -0.305 0.000 1.215 554 P CA -0.471 62.384 63.100 -0.409 0.000 0.780 554 P CB 0.797 32.244 31.700 -0.421 0.000 0.898 555 A N 2.902 125.612 122.820 -0.183 0.000 2.981 555 A HA 0.366 4.686 4.320 -0.000 0.000 0.280 555 A C 0.737 178.261 177.584 -0.100 0.000 1.743 555 A CA -0.338 51.627 52.037 -0.121 0.000 1.430 555 A CB -1.461 17.493 19.000 -0.077 0.000 1.085 555 A HN 0.424 nan 8.150 nan 0.000 0.597 556 V N -1.414 118.422 119.914 -0.131 0.000 3.093 556 V HA 0.895 5.015 4.120 -0.000 0.000 0.320 556 V C 0.654 176.762 176.094 0.024 0.000 1.093 556 V CA -0.828 61.431 62.300 -0.068 0.000 1.016 556 V CB 0.898 32.615 31.823 -0.177 0.000 1.096 556 V HN 0.992 nan 8.190 nan 0.000 0.452 557 A N 1.151 124.043 122.820 0.121 0.000 2.520 557 A HA 0.557 4.877 4.320 -0.000 0.000 0.235 557 A C 0.943 178.660 177.584 0.221 0.000 1.065 557 A CA 0.404 52.530 52.037 0.149 0.000 0.764 557 A CB -0.584 18.509 19.000 0.156 0.000 1.002 557 A HN 2.033 nan 8.150 nan 0.000 0.502 558 G N -0.206 108.684 108.800 0.150 0.000 2.491 558 G HA2 0.581 4.541 3.960 -0.000 0.000 0.238 558 G HA3 0.581 4.541 3.960 -0.000 0.000 0.238 558 G C 0.434 175.448 174.900 0.191 0.000 1.277 558 G CA 0.565 45.761 45.100 0.159 0.000 0.851 558 G HN 1.961 nan 8.290 nan 0.000 0.573 559 G N 0.619 109.553 108.800 0.224 0.000 2.345 559 G HA2 0.249 4.209 3.960 -0.000 0.000 0.285 559 G HA3 0.249 4.209 3.960 -0.000 0.000 0.285 559 G C -1.401 173.559 174.900 0.100 0.000 1.297 559 G CA -0.946 44.204 45.100 0.084 0.000 0.875 559 G HN 0.778 nan 8.290 nan 0.000 0.506 560 N N -0.410 118.230 118.700 -0.099 0.000 2.419 560 N HA 0.735 5.475 4.740 -0.000 0.000 0.277 560 N C -1.341 174.087 175.510 -0.137 0.000 1.006 560 N CA -0.177 52.871 53.050 -0.003 0.000 0.923 560 N CB 0.884 39.361 38.487 -0.017 0.000 1.140 560 N HN 0.438 nan 8.380 nan 0.000 0.488 561 Y N 0.374 120.809 120.300 0.225 0.000 2.602 561 Y HA 0.487 5.037 4.550 0.000 0.000 0.342 561 Y C -0.018 176.006 175.900 0.206 0.000 1.029 561 Y CA -1.065 57.175 58.100 0.233 0.000 1.080 561 Y CB 1.381 40.038 38.460 0.328 0.000 1.284 561 Y HN 0.382 nan 8.280 nan 0.000 0.485 562 N N 1.540 120.420 118.700 0.300 0.000 2.430 562 N HA 0.386 5.126 4.740 -0.000 0.000 0.292 562 N C -1.134 174.428 175.510 0.086 0.000 1.051 562 N CA -0.377 52.778 53.050 0.175 0.000 0.917 562 N CB 1.520 40.073 38.487 0.110 0.000 1.164 562 N HN 0.388 nan 8.380 nan 0.000 0.484 563 I N 1.150 121.722 120.570 0.004 0.000 2.428 563 I HA 0.376 4.546 4.170 -0.000 0.000 0.296 563 I C 0.451 176.519 176.117 -0.082 0.000 0.985 563 I CA -0.309 60.863 61.300 -0.213 0.000 1.260 563 I CB 0.785 38.566 38.000 -0.365 0.000 1.389 563 I HN 0.396 nan 8.210 nan 0.000 0.484 564 K N 4.965 125.311 120.400 -0.090 0.000 2.557 564 K HA 0.626 4.946 4.320 -0.000 0.000 0.261 564 K C -1.498 175.150 176.600 0.080 0.000 0.932 564 K CA -0.536 55.756 56.287 0.009 0.000 0.829 564 K CB 2.543 35.048 32.500 0.007 0.000 1.358 564 K HN 0.425 nan 8.250 nan 0.000 0.430 565 V N -0.663 119.300 119.914 0.082 0.000 3.113 565 V HA 1.029 5.149 4.120 -0.000 0.000 0.316 565 V C -1.145 175.095 176.094 0.244 0.000 1.125 565 V CA -0.635 61.751 62.300 0.143 0.000 1.026 565 V CB 1.648 33.417 31.823 -0.090 0.000 1.080 565 V HN 0.909 nan 8.190 nan 0.000 0.444 566 A N 1.868 124.892 122.820 0.340 0.000 2.488 566 A HA 0.780 5.100 4.320 -0.000 0.000 0.298 566 A C -0.482 177.302 177.584 0.332 0.000 1.044 566 A CA -0.592 51.623 52.037 0.296 0.000 0.693 566 A CB 1.166 20.335 19.000 0.282 0.000 1.272 566 A HN 1.399 nan 8.150 nan 0.000 0.402 567 N N 1.489 120.363 118.700 0.291 0.000 2.294 567 N HA 0.405 5.145 4.740 -0.000 0.000 0.248 567 N C 1.232 176.767 175.510 0.041 0.000 1.300 567 N CA 0.159 53.362 53.050 0.256 0.000 0.925 567 N CB 0.304 38.939 38.487 0.246 0.000 1.188 567 N HN 0.778 nan 8.380 nan 0.000 0.512 568 A N -0.877 121.907 122.820 -0.060 0.000 2.024 568 A HA -0.040 4.280 4.320 -0.000 0.000 0.220 568 A C 2.066 179.628 177.584 -0.037 0.000 1.164 568 A CA 1.960 53.931 52.037 -0.111 0.000 0.643 568 A CB -1.467 17.453 19.000 -0.132 0.000 0.806 568 A HN 0.853 nan 8.150 nan 0.000 0.451 569 A N -2.135 120.689 122.820 0.007 0.000 2.167 569 A HA 0.387 4.707 4.320 -0.000 0.000 0.214 569 A C 1.876 179.477 177.584 0.029 0.000 1.151 569 A CA 1.353 53.400 52.037 0.017 0.000 0.735 569 A CB -0.717 18.300 19.000 0.028 0.000 0.802 569 A HN 1.883 nan 8.150 nan 0.000 0.467 570 G N -1.911 106.918 108.800 0.047 0.000 2.159 570 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.227 570 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.227 570 G C 0.287 175.230 174.900 0.071 0.000 0.986 570 G CA 0.237 45.375 45.100 0.064 0.000 0.651 570 G HN 0.555 nan 8.290 nan 0.000 0.523 571 T N 1.847 116.447 114.554 0.077 0.000 2.779 571 T HA 0.595 4.945 4.350 -0.000 0.000 0.296 571 T C 0.825 175.581 174.700 0.092 0.000 0.938 571 T CA 0.645 62.787 62.100 0.070 0.000 1.119 571 T CB 1.371 70.280 68.868 0.068 0.000 0.891 571 T HN 1.239 nan 8.240 nan 0.000 0.526 572 A N 3.789 126.644 122.820 0.059 0.000 2.351 572 A HA 0.641 4.961 4.320 -0.000 0.000 0.257 572 A C 0.886 178.508 177.584 0.064 0.000 1.087 572 A CA -0.670 51.400 52.037 0.054 0.000 0.798 572 A CB 0.304 19.294 19.000 -0.017 0.000 1.033 572 A HN 0.869 nan 8.150 nan 0.000 0.488 573 S N 1.329 117.078 115.700 0.082 0.000 2.718 573 S HA 0.441 4.911 4.470 -0.000 0.000 0.292 573 S C 0.184 174.816 174.600 0.052 0.000 1.125 573 S CA -0.543 57.709 58.200 0.087 0.000 1.013 573 S CB 0.305 63.598 63.200 0.156 0.000 1.192 573 S HN 0.936 nan 8.310 nan 0.000 0.535 574 N N -0.224 118.511 118.700 0.058 0.000 2.424 574 N HA 0.225 4.965 4.740 -0.000 0.000 0.257 574 N C -0.644 174.907 175.510 0.068 0.000 1.250 574 N CA -0.502 52.577 53.050 0.048 0.000 0.946 574 N CB 0.298 38.815 38.487 0.049 0.000 1.175 574 N HN 0.427 nan 8.380 nan 0.000 0.477 575 V N 0.820 120.765 119.914 0.052 0.000 2.509 575 V HA 0.136 4.256 4.120 -0.000 0.000 0.284 575 V C -0.930 175.221 176.094 0.094 0.000 1.047 575 V CA -0.525 61.812 62.300 0.062 0.000 0.952 575 V CB 0.196 32.037 31.823 0.030 0.000 0.988 575 V HN 0.646 nan 8.190 nan 0.000 0.469 576 Y N 5.313 125.611 120.300 -0.004 0.000 2.388 576 Y HA 0.404 4.954 4.550 -0.000 0.000 0.328 576 Y C 0.187 176.102 175.900 0.025 0.000 0.963 576 Y CA -1.261 56.841 58.100 0.004 0.000 1.240 576 Y CB 0.748 39.193 38.460 -0.026 0.000 1.118 576 Y HN 0.843 nan 8.280 nan 0.000 0.484 577 D N 2.085 122.508 120.400 0.038 0.000 2.478 577 D HA 0.194 4.834 4.640 -0.000 0.000 0.263 577 D C 0.043 176.430 176.300 0.145 0.000 1.153 577 D CA -0.558 53.503 54.000 0.102 0.000 1.038 577 D CB 1.062 41.880 40.800 0.030 0.000 1.120 577 D HN 0.559 nan 8.370 nan 0.000 0.564 578 N N -2.419 116.368 118.700 0.145 0.000 2.901 578 N HA -0.224 4.516 4.740 -0.000 0.000 0.248 578 N C -1.252 174.368 175.510 0.184 0.000 1.044 578 N CA 0.224 53.349 53.050 0.126 0.000 0.847 578 N CB -2.020 36.509 38.487 0.070 0.000 1.127 578 N HN 0.419 nan 8.380 nan 0.000 0.562 579 F N 1.993 122.038 119.950 0.159 0.000 2.438 579 F HA 0.346 4.873 4.527 -0.000 0.000 0.356 579 F C 0.681 176.607 175.800 0.211 0.000 1.099 579 F CA -0.292 57.816 58.000 0.179 0.000 1.185 579 F CB 0.661 39.777 39.000 0.193 0.000 1.115 579 F HN 0.158 nan 8.300 nan 0.000 0.526 580 E N 5.663 125.556 120.200 -0.511 0.000 2.151 580 E HA 0.442 4.792 4.350 -0.000 0.000 0.275 580 E C -1.669 174.758 176.600 -0.287 0.000 0.936 580 E CA -0.790 55.472 56.400 -0.229 0.000 0.777 580 E CB 1.373 30.973 29.700 -0.167 0.000 1.108 580 E HN 0.495 nan 8.360 nan 0.000 0.401 581 V N 6.453 126.422 119.914 0.091 0.000 2.383 581 V HA 0.226 4.346 4.120 -0.000 0.000 0.275 581 V C 0.425 176.560 176.094 0.068 0.000 1.036 581 V CA -0.565 61.807 62.300 0.120 0.000 0.889 581 V CB 0.821 32.766 31.823 0.203 0.000 0.985 581 V HN 0.715 nan 8.190 nan 0.000 0.459 582 L N 3.363 124.593 121.223 0.012 0.000 2.453 582 L HA 0.261 4.601 4.340 -0.000 0.000 0.261 582 L C 1.482 178.365 176.870 0.022 0.000 1.179 582 L CA -0.066 54.778 54.840 0.007 0.000 0.813 582 L CB 0.835 42.885 42.059 -0.016 0.000 1.110 582 L HN 0.629 nan 8.230 nan 0.000 0.466 583 S N 0.051 115.762 115.700 0.019 0.000 2.561 583 S HA 0.233 4.703 4.470 -0.000 0.000 0.225 583 S C 0.517 175.122 174.600 0.009 0.000 0.977 583 S CA 0.539 58.751 58.200 0.020 0.000 0.926 583 S CB 0.123 63.334 63.200 0.018 0.000 0.769 583 S HN 0.945 nan 8.310 nan 0.000 0.533 584 G N 0.603 109.405 108.800 0.003 0.000 2.350 584 G HA2 0.110 4.070 3.960 -0.000 0.000 0.276 584 G HA3 0.110 4.070 3.960 -0.000 0.000 0.276 584 G C -2.207 172.690 174.900 -0.005 0.000 1.313 584 G CA -0.995 44.104 45.100 -0.002 0.000 0.903 584 G HN 0.070 nan 8.290 nan 0.000 0.490 585 D N 0.874 121.270 120.400 -0.006 0.000 2.419 585 D HA 0.299 4.939 4.640 -0.000 0.000 0.236 585 D C 0.134 176.430 176.300 -0.006 0.000 1.165 585 D CA 0.570 54.564 54.000 -0.011 0.000 0.882 585 D CB 0.677 41.471 40.800 -0.010 0.000 1.201 585 D HN 0.294 nan 8.370 nan 0.000 0.443 586 Q N 0.197 119.988 119.800 -0.014 0.000 2.301 586 Q HA 0.590 4.930 4.340 -0.000 0.000 0.267 586 Q C -0.291 175.717 176.000 0.014 0.000 1.035 586 Q CA -0.986 54.817 55.803 0.000 0.000 0.856 586 Q CB 2.335 31.063 28.738 -0.017 0.000 1.337 586 Q HN 0.337 nan 8.270 nan 0.000 0.450 587 V N -2.328 117.618 119.914 0.052 0.000 3.007 587 V HA 0.669 4.789 4.120 -0.000 0.000 0.311 587 V C -0.424 175.747 176.094 0.128 0.000 1.120 587 V CA -0.950 61.401 62.300 0.086 0.000 0.980 587 V CB 1.998 33.880 31.823 0.098 0.000 1.033 587 V HN 0.680 nan 8.190 nan 0.000 0.429 588 S N 1.882 117.687 115.700 0.176 0.000 2.422 588 S HA 0.725 5.195 4.470 -0.000 0.000 0.298 588 S C -0.570 174.159 174.600 0.215 0.000 1.118 588 S CA -0.333 58.007 58.200 0.234 0.000 1.083 588 S CB 0.598 64.028 63.200 0.384 0.000 0.971 588 S HN 0.849 nan 8.310 nan 0.000 0.478 589 V N 6.103 126.136 119.914 0.198 0.000 2.555 589 V HA 0.544 4.664 4.120 -0.000 0.000 0.302 589 V C 0.187 176.333 176.094 0.087 0.000 1.038 589 V CA -1.001 61.345 62.300 0.077 0.000 0.887 589 V CB 1.814 33.610 31.823 -0.046 0.000 0.991 589 V HN 0.844 nan 8.190 nan 0.000 0.434 590 R N 3.162 123.657 120.500 -0.008 0.000 2.229 590 R HA 0.514 4.854 4.340 -0.000 0.000 0.328 590 R C -1.593 174.655 176.300 -0.087 0.000 1.009 590 R CA -0.328 55.825 56.100 0.089 0.000 0.864 590 R CB 0.583 30.963 30.300 0.132 0.000 1.085 590 R HN 0.504 nan 8.270 nan 0.000 0.453 591 F N 3.769 123.738 119.950 0.032 0.000 2.421 591 F HA 0.412 4.939 4.527 -0.000 0.000 0.337 591 F C -0.221 175.614 175.800 0.058 0.000 1.105 591 F CA -0.615 57.398 58.000 0.023 0.000 1.049 591 F CB 2.045 41.094 39.000 0.082 0.000 1.139 591 F HN 0.102 nan 8.300 nan 0.000 0.479 592 V N 4.197 124.182 119.914 0.118 0.000 2.525 592 V HA 0.471 4.591 4.120 -0.000 0.000 0.299 592 V C -0.996 175.030 176.094 -0.114 0.000 1.034 592 V CA -0.867 61.376 62.300 -0.095 0.000 0.863 592 V CB 1.868 33.449 31.823 -0.403 0.000 0.999 592 V HN 0.543 nan 8.190 nan 0.000 0.423 593 V N 5.621 125.387 119.914 -0.246 0.000 2.495 593 V HA 0.623 4.743 4.120 -0.000 0.000 0.298 593 V C -0.453 175.576 176.094 -0.109 0.000 1.031 593 V CA -0.396 61.688 62.300 -0.361 0.000 0.871 593 V CB 1.901 33.104 31.823 -1.034 0.000 0.988 593 V HN 0.934 nan 8.190 nan 0.000 0.432 594 N N 4.797 123.479 118.700 -0.030 0.000 2.466 594 N HA 0.399 5.139 4.740 -0.000 0.000 0.294 594 N C -0.246 175.295 175.510 0.051 0.000 1.129 594 N CA -0.387 52.676 53.050 0.022 0.000 0.931 594 N CB 0.899 39.404 38.487 0.029 0.000 1.193 594 N HN 0.765 nan 8.380 nan 0.000 0.500 595 N N -0.553 118.148 118.700 0.002 0.000 2.714 595 N HA -0.190 4.550 4.740 -0.000 0.000 0.253 595 N C -0.971 174.477 175.510 -0.103 0.000 1.024 595 N CA 0.482 53.508 53.050 -0.040 0.000 0.726 595 N CB -1.117 37.384 38.487 0.024 0.000 0.908 595 N HN 0.642 nan 8.380 nan 0.000 0.542 596 A N 0.448 123.166 122.820 -0.169 0.000 2.801 596 A HA 0.428 4.748 4.320 -0.000 0.000 0.344 596 A C 0.906 178.294 177.584 -0.326 0.000 1.322 596 A CA -0.248 51.514 52.037 -0.457 0.000 0.913 596 A CB 0.129 18.827 19.000 -0.503 0.000 1.140 596 A HN 0.315 nan 8.150 nan 0.000 0.487 597 T N 0.257 114.618 114.554 -0.322 0.000 2.918 597 T HA 0.571 4.921 4.350 -0.000 0.000 0.302 597 T C 0.384 175.097 174.700 0.021 0.000 1.045 597 T CA 0.429 62.485 62.100 -0.073 0.000 1.114 597 T CB 0.893 69.743 68.868 -0.030 0.000 0.965 597 T HN 1.001 nan 8.240 nan 0.000 0.540 598 T N -1.444 113.300 114.554 0.315 0.000 2.787 598 T HA 0.764 5.114 4.350 -0.000 0.000 0.297 598 T C -0.646 174.140 174.700 0.143 0.000 1.221 598 T CA -0.853 61.349 62.100 0.169 0.000 1.006 598 T CB 1.332 70.331 68.868 0.219 0.000 1.328 598 T HN 1.123 nan 8.240 nan 0.000 0.509 599 A N 0.820 123.685 122.820 0.075 0.000 2.320 599 A HA 0.760 5.080 4.320 -0.000 0.000 0.334 599 A C 0.111 177.716 177.584 0.036 0.000 1.147 599 A CA -1.017 51.046 52.037 0.043 0.000 0.820 599 A CB 0.470 19.490 19.000 0.033 0.000 1.218 599 A HN 0.974 nan 8.150 nan 0.000 0.482 600 L N 1.258 122.486 121.223 0.009 0.000 2.615 600 L HA 0.177 4.517 4.340 -0.000 0.000 0.284 600 L C 1.580 178.468 176.870 0.030 0.000 1.237 600 L CA 1.823 56.666 54.840 0.006 0.000 0.905 600 L CB 0.107 42.161 42.059 -0.008 0.000 1.149 600 L HN 1.329 nan 8.230 nan 0.000 0.499 601 G N 2.335 111.162 108.800 0.046 0.000 2.241 601 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.244 601 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.244 601 G C 0.203 175.149 174.900 0.077 0.000 0.998 601 G CA 0.267 45.401 45.100 0.057 0.000 0.621 601 G HN 0.605 nan 8.290 nan 0.000 0.519 602 Q N 0.829 120.677 119.800 0.081 0.000 2.257 602 Q HA 0.584 4.924 4.340 -0.000 0.000 0.255 602 Q C -0.544 175.522 176.000 0.111 0.000 0.920 602 Q CA -0.692 55.158 55.803 0.079 0.000 0.927 602 Q CB 0.520 29.286 28.738 0.046 0.000 1.229 602 Q HN 0.386 nan 8.270 nan 0.000 0.433 603 N N 1.801 120.555 118.700 0.090 0.000 2.380 603 N HA 0.424 5.164 4.740 -0.000 0.000 0.290 603 N C -1.362 173.976 175.510 -0.287 0.000 1.236 603 N CA -0.469 52.556 53.050 -0.042 0.000 0.780 603 N CB 2.125 40.625 38.487 0.021 0.000 1.438 603 N HN 0.300 nan 8.380 nan 0.000 0.491 604 V N 1.872 121.250 119.914 -0.894 0.000 2.481 604 V HA 0.420 4.540 4.120 -0.000 0.000 0.286 604 V C -0.891 174.936 176.094 -0.445 0.000 1.042 604 V CA -0.187 61.685 62.300 -0.713 0.000 0.928 604 V CB 0.282 31.303 31.823 -1.335 0.000 0.986 604 V HN 0.516 nan 8.190 nan 0.000 0.462 605 Y N 3.536 123.737 120.300 -0.164 0.000 2.633 605 Y HA 0.756 5.306 4.550 -0.000 0.000 0.339 605 Y C -0.358 175.540 175.900 -0.004 0.000 1.045 605 Y CA -1.186 56.839 58.100 -0.125 0.000 1.098 605 Y CB 1.823 40.182 38.460 -0.168 0.000 1.296 605 Y HN 0.501 nan 8.280 nan 0.000 0.494 606 L N 0.777 122.030 121.223 0.050 0.000 2.365 606 L HA 0.841 5.181 4.340 -0.000 0.000 0.273 606 L C -0.616 176.125 176.870 -0.214 0.000 1.000 606 L CA -0.047 54.698 54.840 -0.158 0.000 0.819 606 L CB 2.021 43.882 42.059 -0.330 0.000 1.284 606 L HN 0.677 nan 8.230 nan 0.000 0.418 607 T N 2.609 117.013 114.554 -0.251 0.000 2.883 607 T HA 0.924 5.274 4.350 -0.000 0.000 0.301 607 T C -0.648 173.800 174.700 -0.420 0.000 1.158 607 T CA 0.064 62.014 62.100 -0.249 0.000 1.007 607 T CB 1.468 70.270 68.868 -0.110 0.000 1.186 607 T HN 1.082 nan 8.240 nan 0.000 0.499 608 G N 0.309 108.687 108.800 -0.703 0.000 2.682 608 G HA2 0.453 4.413 3.960 -0.000 0.000 0.303 608 G HA3 0.453 4.413 3.960 -0.000 0.000 0.303 608 G C 0.391 174.485 174.900 -1.343 0.000 1.341 608 G CA 0.084 44.555 45.100 -1.048 0.000 0.784 608 G HN 0.994 nan 8.290 nan 0.000 0.497 609 S N -1.315 113.917 115.700 -0.780 0.000 2.701 609 S HA 0.323 4.792 4.470 -0.000 0.000 0.220 609 S C 0.708 175.233 174.600 -0.126 0.000 0.954 609 S CA 0.551 58.573 58.200 -0.297 0.000 0.936 609 S CB -0.952 62.366 63.200 0.196 0.000 0.777 609 S HN 1.656 nan 8.310 nan 0.000 0.518 610 V N -1.942 117.867 119.914 -0.174 0.000 3.040 610 V HA 0.670 4.790 4.120 -0.000 0.000 0.312 610 V C 1.153 177.198 176.094 -0.082 0.000 1.115 610 V CA -0.422 61.835 62.300 -0.072 0.000 0.998 610 V CB 1.154 32.959 31.823 -0.031 0.000 1.042 610 V HN 0.204 nan 8.190 nan 0.000 0.433 611 S N 0.058 115.741 115.700 -0.029 0.000 2.399 611 S HA -0.174 4.296 4.470 -0.000 0.000 0.231 611 S C 1.267 175.847 174.600 -0.032 0.000 1.022 611 S CA 1.607 59.794 58.200 -0.022 0.000 0.983 611 S CB -0.604 62.606 63.200 0.017 0.000 0.803 611 S HN 0.896 nan 8.310 nan 0.000 0.480 612 E N 1.018 121.202 120.200 -0.027 0.000 2.409 612 E HA 0.152 4.502 4.350 -0.000 0.000 0.198 612 E C 1.334 177.903 176.600 -0.052 0.000 1.024 612 E CA 0.626 57.013 56.400 -0.022 0.000 0.861 612 E CB -0.224 29.478 29.700 0.003 0.000 0.788 612 E HN 0.574 nan 8.360 nan 0.000 0.521 613 L N -1.758 119.406 121.223 -0.100 0.000 2.858 613 L HA 0.333 4.673 4.340 -0.000 0.000 0.251 613 L C 1.091 177.862 176.870 -0.166 0.000 1.149 613 L CA 0.224 54.965 54.840 -0.165 0.000 0.955 613 L CB 0.642 42.554 42.059 -0.245 0.000 1.289 613 L HN 0.289 nan 8.230 nan 0.000 0.542 614 G N 0.038 108.770 108.800 -0.115 0.000 2.175 614 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.244 614 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.244 614 G C 0.367 175.226 174.900 -0.068 0.000 0.982 614 G CA -0.022 45.030 45.100 -0.079 0.000 0.641 614 G HN 0.349 nan 8.290 nan 0.000 0.527 615 N N -0.921 117.692 118.700 -0.146 0.000 2.714 615 N HA -0.232 4.507 4.740 -0.000 0.000 0.253 615 N C 0.893 176.446 175.510 0.072 0.000 1.024 615 N CA 1.846 54.829 53.050 -0.111 0.000 0.726 615 N CB -1.631 36.869 38.487 0.022 0.000 0.908 615 N HN 1.285 nan 8.380 nan 0.000 0.542 616 W N -2.907 118.461 121.300 0.114 0.000 2.589 616 W HA -0.266 4.394 4.660 -0.000 0.000 0.272 616 W C 0.381 177.039 176.519 0.231 0.000 1.060 616 W CA 0.528 58.000 57.345 0.212 0.000 0.533 616 W CB -1.457 28.102 29.460 0.165 0.000 2.084 616 W HN 0.296 nan 8.180 nan 0.000 1.371 617 D N 0.195 120.753 120.400 0.265 0.000 2.339 617 D HA 0.207 4.847 4.640 -0.000 0.000 0.241 617 D C -0.970 175.386 176.300 0.094 0.000 1.183 617 D CA -2.145 51.964 54.000 0.183 0.000 0.859 617 D CB 1.243 42.102 40.800 0.097 0.000 1.067 617 D HN -0.214 nan 8.370 nan 0.000 0.484 618 P HA -0.129 nan 4.420 nan 0.000 0.217 618 P C 0.861 178.085 177.300 -0.126 0.000 1.148 618 P CA 1.245 64.296 63.100 -0.082 0.000 0.828 618 P CB 0.225 31.889 31.700 -0.060 0.000 0.783 619 A N -0.570 122.215 122.820 -0.058 0.000 2.067 619 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 619 A C 1.691 179.237 177.584 -0.062 0.000 1.158 619 A CA 1.329 53.325 52.037 -0.068 0.000 0.661 619 A CB -0.674 18.309 19.000 -0.028 0.000 0.801 619 A HN 0.197 nan 8.150 nan 0.000 0.452 620 K N -0.260 120.112 120.400 -0.047 0.000 2.514 620 K HA 0.425 4.745 4.320 -0.000 0.000 0.207 620 K C 0.199 176.772 176.600 -0.044 0.000 1.035 620 K CA 0.081 56.347 56.287 -0.035 0.000 1.113 620 K CB 0.676 33.164 32.500 -0.021 0.000 0.846 620 K HN 0.375 nan 8.250 nan 0.000 0.491 621 A N 1.355 124.130 122.820 -0.074 0.000 2.425 621 A HA 0.230 4.550 4.320 -0.000 0.000 0.242 621 A C 0.188 177.794 177.584 0.037 0.000 1.077 621 A CA -0.220 51.782 52.037 -0.059 0.000 0.781 621 A CB 0.185 19.110 19.000 -0.124 0.000 1.020 621 A HN 0.151 nan 8.150 nan 0.000 0.494 622 I N 1.662 122.233 120.570 0.001 0.000 2.371 622 I HA 0.564 4.734 4.170 -0.000 0.000 0.290 622 I C 0.960 176.995 176.117 -0.137 0.000 1.028 622 I CA 1.118 62.400 61.300 -0.030 0.000 1.345 622 I CB -0.321 37.634 38.000 -0.074 0.000 1.407 622 I HN 0.977 nan 8.210 nan 0.000 0.501 623 G N 7.818 116.444 108.800 -0.290 0.000 2.352 623 G HA2 0.191 4.151 3.960 -0.000 0.000 0.283 623 G HA3 0.191 4.151 3.960 -0.000 0.000 0.283 623 G C -3.279 171.336 174.900 -0.475 0.000 1.308 623 G CA -0.857 43.787 45.100 -0.760 0.000 0.892 623 G HN 0.336 nan 8.290 nan 0.000 0.504 624 P HA 0.410 nan 4.420 nan 0.000 0.269 624 P C 0.226 177.036 177.300 -0.816 0.000 1.215 624 P CA 0.052 62.580 63.100 -0.952 0.000 0.780 624 P CB 0.388 31.838 31.700 -0.418 0.000 0.898 625 M N 1.367 120.608 119.600 -0.598 0.000 2.247 625 M HA 0.257 4.737 4.480 -0.000 0.000 0.326 625 M C -0.167 176.140 176.300 0.011 0.000 1.134 625 M CA -0.154 54.910 55.300 -0.393 0.000 1.136 625 M CB 0.290 32.860 32.600 -0.051 0.000 1.454 625 M HN 0.266 nan 8.290 nan 0.000 0.467 626 Y N 1.251 121.535 120.300 -0.027 0.000 2.316 626 Y HA 0.244 4.794 4.550 -0.000 0.000 0.324 626 Y C 0.598 176.372 175.900 -0.210 0.000 1.267 626 Y CA -1.116 56.848 58.100 -0.226 0.000 1.311 626 Y CB 0.394 38.506 38.460 -0.580 0.000 1.267 626 Y HN 0.689 nan 8.280 nan 0.000 0.516 627 N N -1.448 117.247 118.700 -0.008 0.000 2.453 627 N HA 0.094 4.834 4.740 -0.000 0.000 0.267 627 N C -0.201 175.288 175.510 -0.035 0.000 1.482 627 N CA -0.133 52.834 53.050 -0.138 0.000 0.841 627 N CB 0.251 38.233 38.487 -0.842 0.000 1.408 627 N HN 0.438 nan 8.380 nan 0.000 0.490 628 Q N -0.343 119.507 119.800 0.085 0.000 2.620 628 Q HA 0.331 4.671 4.340 -0.000 0.000 0.232 628 Q C 1.404 177.401 176.000 -0.006 0.000 0.836 628 Q CA 0.758 56.564 55.803 0.005 0.000 0.938 628 Q CB 0.404 29.120 28.738 -0.036 0.000 1.242 628 Q HN 0.175 nan 8.270 nan 0.000 0.624 629 V N 0.749 120.673 119.914 0.018 0.000 2.278 629 V HA -0.104 4.016 4.120 -0.000 0.000 0.231 629 V C 2.369 178.315 176.094 -0.247 0.000 1.048 629 V CA 1.436 63.683 62.300 -0.089 0.000 1.015 629 V CB -0.940 30.846 31.823 -0.060 0.000 0.652 629 V HN 0.016 nan 8.190 nan 0.000 0.466 630 V N -1.445 118.182 119.914 -0.478 0.000 2.332 630 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 630 V C 0.629 176.202 176.094 -0.869 0.000 1.055 630 V CA 1.680 63.511 62.300 -0.781 0.000 1.038 630 V CB -0.726 30.427 31.823 -1.117 0.000 0.651 630 V HN 0.532 nan 8.190 nan 0.000 0.450 631 Y N -0.259 119.642 120.300 -0.665 0.000 2.492 631 Y HA 0.601 5.151 4.550 -0.000 0.000 0.346 631 Y C -0.228 175.607 175.900 -0.107 0.000 0.997 631 Y CA -1.513 56.403 58.100 -0.307 0.000 1.025 631 Y CB 1.578 39.896 38.460 -0.237 0.000 1.263 631 Y HN 0.089 nan 8.280 nan 0.000 0.454 632 Q N 2.088 121.916 119.800 0.046 0.000 2.309 632 Q HA 0.271 4.611 4.340 -0.000 0.000 0.264 632 Q C -0.947 175.045 176.000 -0.013 0.000 1.008 632 Q CA -1.134 54.673 55.803 0.006 0.000 0.853 632 Q CB 2.035 30.762 28.738 -0.019 0.000 1.314 632 Q HN 0.806 nan 8.270 nan 0.000 0.448 633 Y N 4.529 124.686 120.300 -0.238 0.000 2.993 633 Y HA -0.101 4.449 4.550 -0.000 0.000 0.340 633 Y C -1.159 174.679 175.900 -0.103 0.000 1.273 633 Y CA -0.227 57.698 58.100 -0.291 0.000 1.545 633 Y CB 0.523 38.770 38.460 -0.356 0.000 1.275 633 Y HN 0.532 nan 8.280 nan 0.000 0.617 634 P HA -0.023 nan 4.420 nan 0.000 0.258 634 P C -0.982 176.170 177.300 -0.247 0.000 1.319 634 P CA 0.431 62.937 63.100 -0.989 0.000 0.785 634 P CB -0.006 31.213 31.700 -0.803 0.000 1.252 635 N N 0.603 119.218 118.700 -0.140 0.000 2.438 635 N HA 0.191 4.930 4.740 -0.000 0.000 0.282 635 N C -0.710 174.831 175.510 0.051 0.000 1.037 635 N CA 0.003 53.080 53.050 0.045 0.000 0.942 635 N CB 0.651 39.184 38.487 0.076 0.000 1.136 635 N HN 0.038 nan 8.380 nan 0.000 0.481 636 W N 2.076 123.356 121.300 -0.034 0.000 2.761 636 W HA 0.437 5.097 4.660 -0.000 0.000 0.340 636 W C -0.223 176.332 176.519 0.060 0.000 1.072 636 W CA -0.702 56.668 57.345 0.041 0.000 1.215 636 W CB 0.598 30.019 29.460 -0.065 0.000 1.420 636 W HN 0.399 nan 8.180 nan 0.000 0.519 637 Y N 0.030 120.441 120.300 0.184 0.000 2.588 637 Y HA 0.819 5.369 4.550 -0.000 0.000 0.343 637 Y C -1.994 174.097 175.900 0.319 0.000 1.065 637 Y CA -2.775 55.396 58.100 0.118 0.000 1.038 637 Y CB 1.613 40.044 38.460 -0.048 0.000 1.297 637 Y HN 0.467 nan 8.280 nan 0.000 0.467 638 Y N 0.764 121.125 120.300 0.102 0.000 2.465 638 Y HA 0.314 4.864 4.550 -0.000 0.000 0.323 638 Y C -1.862 174.172 175.900 0.224 0.000 1.191 638 Y CA -1.419 56.687 58.100 0.010 0.000 1.082 638 Y CB 1.625 40.017 38.460 -0.113 0.000 1.334 638 Y HN 0.796 nan 8.280 nan 0.000 0.449 639 D N 4.163 124.526 120.400 -0.061 0.000 2.295 639 D HA 0.508 5.148 4.640 -0.000 0.000 0.248 639 D C -0.776 175.596 176.300 0.121 0.000 1.154 639 D CA 0.238 54.314 54.000 0.127 0.000 0.857 639 D CB 1.703 42.608 40.800 0.174 0.000 1.117 639 D HN 0.207 nan 8.370 nan 0.000 0.468 640 V N 1.237 121.320 119.914 0.281 0.000 2.769 640 V HA 0.353 4.473 4.120 -0.000 0.000 0.312 640 V C 0.263 176.498 176.094 0.236 0.000 1.061 640 V CA -0.907 61.544 62.300 0.252 0.000 0.931 640 V CB 2.162 34.110 31.823 0.208 0.000 1.010 640 V HN 0.464 nan 8.190 nan 0.000 0.433 641 S N 3.018 118.816 115.700 0.163 0.000 2.452 641 S HA 0.674 5.144 4.470 -0.000 0.000 0.284 641 S C -0.542 174.129 174.600 0.117 0.000 1.171 641 S CA -0.428 57.845 58.200 0.122 0.000 1.064 641 S CB 0.484 63.722 63.200 0.064 0.000 0.967 641 S HN 0.988 nan 8.310 nan 0.000 0.484 642 V N 2.941 122.938 119.914 0.137 0.000 3.102 642 V HA 0.766 4.886 4.120 -0.000 0.000 0.312 642 V C -3.039 173.106 176.094 0.084 0.000 1.135 642 V CA -3.040 59.339 62.300 0.131 0.000 1.022 642 V CB 1.180 33.148 31.823 0.242 0.000 1.056 642 V HN 0.572 nan 8.190 nan 0.000 0.436 643 P HA 0.310 nan 4.420 nan 0.000 0.267 643 P C -0.221 177.089 177.300 0.017 0.000 1.205 643 P CA 0.515 63.629 63.100 0.023 0.000 0.765 643 P CB 0.463 32.168 31.700 0.009 0.000 0.828 644 A N 3.775 126.603 122.820 0.014 0.000 2.440 644 A HA 0.465 4.785 4.320 -0.000 0.000 0.251 644 A C 1.551 179.129 177.584 -0.009 0.000 1.089 644 A CA 0.512 52.556 52.037 0.012 0.000 0.779 644 A CB -1.080 17.929 19.000 0.015 0.000 1.022 644 A HN 0.846 nan 8.150 nan 0.000 0.492 645 G N 1.496 110.285 108.800 -0.018 0.000 2.166 645 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 645 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 645 G C 0.251 175.114 174.900 -0.062 0.000 0.986 645 G CA 1.008 46.089 45.100 -0.033 0.000 0.683 645 G HN 0.828 nan 8.290 nan 0.000 0.527 646 K N 0.530 120.875 120.400 -0.091 0.000 2.130 646 K HA 0.477 4.797 4.320 -0.000 0.000 0.268 646 K C -0.027 176.451 176.600 -0.203 0.000 0.983 646 K CA -0.362 55.862 56.287 -0.105 0.000 0.893 646 K CB 1.076 33.535 32.500 -0.068 0.000 1.066 646 K HN 0.065 nan 8.250 nan 0.000 0.450 647 T N 3.715 118.183 114.554 -0.143 0.000 2.737 647 T HA 0.304 4.654 4.350 -0.000 0.000 0.296 647 T C 0.185 174.821 174.700 -0.108 0.000 0.922 647 T CA -0.179 61.825 62.100 -0.160 0.000 1.079 647 T CB -0.123 68.712 68.868 -0.054 0.000 0.892 647 T HN 0.303 nan 8.240 nan 0.000 0.514 648 I N 2.964 123.431 120.570 -0.171 0.000 2.474 648 I HA 0.371 4.541 4.170 -0.000 0.000 0.294 648 I C 0.402 176.742 176.117 0.372 0.000 1.005 648 I CA -0.864 60.481 61.300 0.076 0.000 1.113 648 I CB 2.032 40.093 38.000 0.102 0.000 1.289 648 I HN 0.468 nan 8.210 nan 0.000 0.436 649 E N 5.630 126.044 120.200 0.357 0.000 2.204 649 E HA 0.617 4.967 4.350 -0.000 0.000 0.276 649 E C -1.380 175.499 176.600 0.465 0.000 0.974 649 E CA -0.519 56.142 56.400 0.434 0.000 0.815 649 E CB 2.033 31.999 29.700 0.444 0.000 1.119 649 E HN 0.417 nan 8.360 nan 0.000 0.393 650 F N -0.368 119.749 119.950 0.279 0.000 2.686 650 F HA 0.671 5.198 4.527 -0.000 0.000 0.311 650 F C -1.135 174.786 175.800 0.202 0.000 1.128 650 F CA -1.130 56.911 58.000 0.068 0.000 0.946 650 F CB 1.414 40.372 39.000 -0.071 0.000 1.336 650 F HN 0.116 nan 8.300 nan 0.000 0.457 651 K N 0.750 121.267 120.400 0.194 0.000 2.536 651 K HA 0.604 4.924 4.320 -0.000 0.000 0.269 651 K C -2.067 174.465 176.600 -0.113 0.000 0.965 651 K CA -0.737 55.620 56.287 0.116 0.000 0.860 651 K CB 2.798 35.533 32.500 0.391 0.000 1.423 651 K HN 0.565 nan 8.250 nan 0.000 0.438 652 F N 1.822 121.865 119.950 0.155 0.000 2.483 652 F HA 0.592 5.119 4.527 -0.000 0.000 0.329 652 F C 0.037 175.864 175.800 0.045 0.000 1.064 652 F CA -0.814 57.262 58.000 0.128 0.000 0.986 652 F CB 1.088 40.248 39.000 0.267 0.000 1.218 652 F HN 0.250 nan 8.300 nan 0.000 0.484 653 L N -0.689 120.702 121.223 0.281 0.000 2.465 653 L HA 0.696 5.036 4.340 -0.000 0.000 0.257 653 L C -1.548 175.428 176.870 0.177 0.000 0.988 653 L CA -1.233 53.684 54.840 0.129 0.000 0.827 653 L CB 2.195 44.009 42.059 -0.409 0.000 1.397 653 L HN 0.408 nan 8.230 nan 0.000 0.410 654 K N 1.691 122.171 120.400 0.134 0.000 2.213 654 K HA 0.611 4.931 4.320 -0.000 0.000 0.270 654 K C -1.153 175.439 176.600 -0.013 0.000 1.002 654 K CA -0.691 55.596 56.287 -0.001 0.000 0.868 654 K CB 1.968 34.415 32.500 -0.088 0.000 1.093 654 K HN 0.509 nan 8.250 nan 0.000 0.454 655 K N 2.271 122.684 120.400 0.022 0.000 2.378 655 K HA 0.211 4.531 4.320 -0.000 0.000 0.252 655 K C -1.099 175.512 176.600 0.019 0.000 0.931 655 K CA -0.727 55.523 56.287 -0.062 0.000 0.794 655 K CB 2.261 34.558 32.500 -0.339 0.000 1.181 655 K HN 0.436 nan 8.250 nan 0.000 0.425 656 Q N 1.964 121.760 119.800 -0.006 0.000 2.347 656 Q HA 0.369 4.709 4.340 -0.000 0.000 0.265 656 Q C 0.136 176.134 176.000 -0.002 0.000 1.024 656 Q CA 0.009 55.823 55.803 0.018 0.000 0.731 656 Q CB 1.256 30.007 28.738 0.021 0.000 1.245 656 Q HN 0.852 nan 8.270 nan 0.000 0.472 657 G N 2.248 111.048 108.800 0.001 0.000 2.536 657 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.280 657 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.280 657 G C 0.451 175.323 174.900 -0.046 0.000 1.152 657 G CA 0.396 45.490 45.100 -0.011 0.000 0.970 657 G HN 1.119 nan 8.290 nan 0.000 0.549 658 S N -0.739 114.938 115.700 -0.039 0.000 2.557 658 S HA 0.459 4.929 4.470 -0.000 0.000 0.223 658 S C 0.655 175.229 174.600 -0.044 0.000 0.969 658 S CA 1.109 59.277 58.200 -0.054 0.000 0.927 658 S CB 0.462 63.643 63.200 -0.032 0.000 0.806 658 S HN 0.935 nan 8.310 nan 0.000 0.489 659 T N 2.939 117.474 114.554 -0.032 0.000 2.761 659 T HA 0.487 4.837 4.350 -0.000 0.000 0.296 659 T C -0.286 174.395 174.700 -0.032 0.000 0.934 659 T CA -0.221 61.872 62.100 -0.012 0.000 1.091 659 T CB 1.128 69.999 68.868 0.005 0.000 0.896 659 T HN 0.136 nan 8.240 nan 0.000 0.515 660 V N 3.905 123.810 119.914 -0.014 0.000 2.581 660 V HA 0.534 4.654 4.120 -0.000 0.000 0.303 660 V C 0.308 176.419 176.094 0.028 0.000 1.041 660 V CA -0.745 61.521 62.300 -0.057 0.000 0.907 660 V CB 2.083 33.844 31.823 -0.105 0.000 0.994 660 V HN 0.903 nan 8.190 nan 0.000 0.442 661 T N 3.574 118.131 114.554 0.005 0.000 2.892 661 T HA 0.357 4.707 4.350 -0.000 0.000 0.311 661 T C -0.702 174.098 174.700 0.167 0.000 1.033 661 T CA -0.313 61.872 62.100 0.143 0.000 0.991 661 T CB 0.366 69.331 68.868 0.161 0.000 0.981 661 T HN 0.538 nan 8.240 nan 0.000 0.457 662 W N 1.939 123.313 121.300 0.123 0.000 2.161 662 W HA 0.347 5.007 4.660 -0.000 0.000 0.344 662 W C 1.018 177.531 176.519 -0.010 0.000 1.262 662 W CA -0.629 56.757 57.345 0.068 0.000 1.270 662 W CB 0.403 29.863 29.460 0.001 0.000 1.126 662 W HN 0.546 nan 8.180 nan 0.000 0.598 663 E N 0.828 121.029 120.200 0.002 0.000 2.354 663 E HA 0.325 4.675 4.350 -0.000 0.000 0.269 663 E C 0.637 177.108 176.600 -0.215 0.000 1.036 663 E CA -0.203 55.868 56.400 -0.548 0.000 0.876 663 E CB 0.660 29.923 29.700 -0.729 0.000 1.009 663 E HN 0.592 nan 8.360 nan 0.000 0.416 664 G N 1.683 110.334 108.800 -0.249 0.000 2.588 664 G HA2 0.486 4.446 3.960 -0.000 0.000 0.278 664 G HA3 0.486 4.446 3.960 -0.000 0.000 0.278 664 G C 0.342 175.138 174.900 -0.173 0.000 1.307 664 G CA 0.045 45.067 45.100 -0.130 0.000 1.016 664 G HN 0.887 nan 8.290 nan 0.000 0.503 665 G N -1.223 107.497 108.800 -0.133 0.000 2.645 665 G HA2 -0.019 3.940 3.960 -0.000 0.000 0.246 665 G HA3 -0.019 3.940 3.960 -0.000 0.000 0.246 665 G C 0.332 175.122 174.900 -0.184 0.000 1.322 665 G CA 0.182 45.193 45.100 -0.148 0.000 0.898 665 G HN 1.359 nan 8.290 nan 0.000 0.573 666 S N 0.687 116.268 115.700 -0.197 0.000 2.693 666 S HA 0.534 5.004 4.470 -0.000 0.000 0.276 666 S C 0.581 175.011 174.600 -0.284 0.000 1.192 666 S CA -0.689 57.389 58.200 -0.203 0.000 0.994 666 S CB 0.785 63.896 63.200 -0.149 0.000 1.012 666 S HN 0.714 nan 8.310 nan 0.000 0.550 667 N N 2.006 120.577 118.700 -0.216 0.000 2.441 667 N HA 0.065 4.805 4.740 -0.000 0.000 0.251 667 N C -0.258 175.071 175.510 -0.301 0.000 1.242 667 N CA 0.298 53.234 53.050 -0.191 0.000 0.898 667 N CB 0.100 38.606 38.487 0.032 0.000 1.100 667 N HN 0.536 nan 8.380 nan 0.000 0.443 668 H N 0.054 118.903 119.070 -0.368 0.000 2.551 668 H HA 0.250 4.806 4.556 -0.000 0.000 0.358 668 H C 0.217 175.323 175.328 -0.371 0.000 1.151 668 H CA 0.365 56.101 56.048 -0.520 0.000 1.374 668 H CB 1.183 30.274 29.762 -1.118 0.000 1.473 668 H HN 0.350 nan 8.280 nan 0.000 0.574 669 T N 2.135 116.762 114.554 0.123 0.000 2.903 669 T HA 0.546 4.896 4.350 -0.000 0.000 0.299 669 T C -1.561 173.479 174.700 0.566 0.000 1.093 669 T CA -0.628 61.678 62.100 0.343 0.000 1.002 669 T CB 0.721 69.706 68.868 0.194 0.000 1.127 669 T HN 0.508 nan 8.240 nan 0.000 0.488 670 F N -0.145 119.990 119.950 0.309 0.000 2.799 670 F HA 0.650 5.177 4.527 -0.000 0.000 0.316 670 F C -1.611 174.283 175.800 0.157 0.000 1.155 670 F CA -0.880 57.254 58.000 0.223 0.000 0.916 670 F CB 0.868 40.014 39.000 0.244 0.000 1.294 670 F HN 0.425 nan 8.300 nan 0.000 0.447 671 T N 2.761 117.136 114.554 -0.299 0.000 2.772 671 T HA 0.759 5.109 4.350 -0.000 0.000 0.288 671 T C 0.011 174.490 174.700 -0.368 0.000 0.994 671 T CA -0.103 61.752 62.100 -0.409 0.000 0.951 671 T CB 1.026 69.822 68.868 -0.120 0.000 0.933 671 T HN 0.954 nan 8.240 nan 0.000 0.447 672 A N 6.084 128.586 122.820 -0.530 0.000 2.483 672 A HA 0.497 4.817 4.320 -0.000 0.000 0.238 672 A C -1.903 175.689 177.584 0.013 0.000 1.070 672 A CA -1.121 50.871 52.037 -0.075 0.000 0.770 672 A CB -0.282 18.699 19.000 -0.031 0.000 1.008 672 A HN 0.532 nan 8.150 nan 0.000 0.497 673 P HA 0.048 nan 4.420 nan 0.000 0.269 673 P C 0.643 177.969 177.300 0.043 0.000 1.215 673 P CA 0.261 63.399 63.100 0.063 0.000 0.780 673 P CB 0.907 32.656 31.700 0.081 0.000 0.898 674 S N 0.039 115.757 115.700 0.031 0.000 2.522 674 S HA 0.091 4.561 4.470 -0.000 0.000 0.227 674 S C 0.797 175.415 174.600 0.030 0.000 0.986 674 S CA 0.207 58.420 58.200 0.023 0.000 0.929 674 S CB -0.298 62.912 63.200 0.016 0.000 0.769 674 S HN 0.621 nan 8.310 nan 0.000 0.529 675 S N -1.378 114.347 115.700 0.042 0.000 2.578 675 S HA 0.577 5.047 4.470 -0.000 0.000 0.272 675 S C -0.041 174.600 174.600 0.068 0.000 1.145 675 S CA 0.135 58.364 58.200 0.049 0.000 0.835 675 S CB 0.813 64.036 63.200 0.038 0.000 1.104 675 S HN 1.637 nan 8.310 nan 0.000 0.458 676 G N 1.875 110.727 108.800 0.086 0.000 2.593 676 G HA2 0.004 3.964 3.960 -0.000 0.000 0.237 676 G HA3 0.004 3.964 3.960 -0.000 0.000 0.237 676 G C 0.017 174.992 174.900 0.125 0.000 1.312 676 G CA 0.518 45.682 45.100 0.106 0.000 0.896 676 G HN 1.984 nan 8.290 nan 0.000 0.574 677 T N -2.517 112.109 114.554 0.120 0.000 2.883 677 T HA 1.049 5.399 4.350 -0.000 0.000 0.284 677 T C 0.073 174.826 174.700 0.088 0.000 1.041 677 T CA 0.462 62.638 62.100 0.126 0.000 1.007 677 T CB 1.785 70.742 68.868 0.148 0.000 1.220 677 T HN 2.687 nan 8.240 nan 0.000 0.552 678 A N -0.019 122.842 122.820 0.067 0.000 2.586 678 A HA 0.707 5.027 4.320 -0.000 0.000 0.291 678 A C -0.861 176.702 177.584 -0.036 0.000 1.062 678 A CA -0.940 51.112 52.037 0.027 0.000 0.666 678 A CB 1.188 20.215 19.000 0.044 0.000 1.281 678 A HN 0.926 nan 8.150 nan 0.000 0.421 679 T N 1.514 116.031 114.554 -0.062 0.000 2.881 679 T HA 0.562 4.912 4.350 -0.000 0.000 0.291 679 T C -0.641 173.953 174.700 -0.176 0.000 0.990 679 T CA -0.015 62.021 62.100 -0.108 0.000 0.976 679 T CB 0.504 69.365 68.868 -0.012 0.000 0.970 679 T HN 0.469 nan 8.240 nan 0.000 0.438 680 I N 3.766 124.130 120.570 -0.345 0.000 2.321 680 I HA 0.378 4.548 4.170 -0.000 0.000 0.291 680 I C 0.173 176.198 176.117 -0.154 0.000 0.998 680 I CA -0.719 60.382 61.300 -0.331 0.000 1.227 680 I CB 0.841 38.407 38.000 -0.722 0.000 1.368 680 I HN 0.408 nan 8.210 nan 0.000 0.466 681 N N 6.981 125.645 118.700 -0.060 0.000 2.443 681 N HA 0.556 5.296 4.740 -0.000 0.000 0.269 681 N C -1.071 174.444 175.510 0.008 0.000 0.985 681 N CA -0.202 52.831 53.050 -0.029 0.000 0.921 681 N CB 2.075 40.553 38.487 -0.015 0.000 1.195 681 N HN 0.470 nan 8.380 nan 0.000 0.492 682 V N 0.964 120.883 119.914 0.007 0.000 3.160 682 V HA 0.675 4.795 4.120 -0.000 0.000 0.310 682 V C -0.542 175.552 176.094 -0.000 0.000 1.181 682 V CA -1.098 61.189 62.300 -0.021 0.000 1.047 682 V CB 2.160 33.851 31.823 -0.220 0.000 1.068 682 V HN 0.453 nan 8.190 nan 0.000 0.441 683 N N 1.602 120.338 118.700 0.060 0.000 2.443 683 N HA 0.244 4.984 4.740 -0.000 0.000 0.295 683 N C -0.843 174.804 175.510 0.228 0.000 1.076 683 N CA -0.299 52.827 53.050 0.127 0.000 0.919 683 N CB 2.051 40.615 38.487 0.128 0.000 1.176 683 N HN 1.017 nan 8.380 nan 0.000 0.487 684 W N 2.808 124.139 121.300 0.053 0.000 2.322 684 W HA 0.028 4.688 4.660 -0.000 0.000 0.328 684 W C -0.685 175.914 176.519 0.132 0.000 1.395 684 W CA 0.119 57.527 57.345 0.105 0.000 1.267 684 W CB 0.239 29.706 29.460 0.012 0.000 1.259 684 W HN 0.431 nan 8.180 nan 0.000 0.560 685 Q N 7.692 127.325 119.800 -0.279 0.000 2.322 685 Q HA 0.222 4.562 4.340 -0.000 0.000 0.256 685 Q C -1.881 173.969 176.000 -0.250 0.000 0.960 685 Q CA -1.652 54.044 55.803 -0.178 0.000 0.934 685 Q CB 1.153 29.785 28.738 -0.177 0.000 1.200 685 Q HN 0.211 nan 8.270 nan 0.000 0.435 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.207 63.100 0.179 0.000 0.800 686 P CB 0.000 31.809 31.700 0.181 0.000 0.726