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 1cxe_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 YKNLYDLADL DATA SEQUENCE NHNNSTVDVY LKDAIKMWLD LGIDGIRMDA VKHMPFGWQK SFMAAVNNYK DATA SEQUENCE PVFTFGEWFL GVNEVSPENH KFANESGMSL LDFRFAQKVR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS AADYAQVDDQ VTFIDNHDME RFHASNANRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYMSGGT DPDNRARIPS FSTSTTAYQV 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 -0.031 0.000 1.274 1 A CA 0.000 52.018 52.037 -0.031 0.000 0.836 1 A CB 0.000 18.971 19.000 -0.049 0.000 0.831 2 P HA 0.264 nan 4.420 nan 0.000 0.276 2 P C 0.101 177.369 177.300 -0.053 0.000 1.261 2 P CA 0.056 63.132 63.100 -0.039 0.000 0.800 2 P CB 0.596 32.271 31.700 -0.043 0.000 1.066 3 D N -0.293 120.081 120.400 -0.043 0.000 2.228 3 D HA -0.168 4.471 4.640 -0.000 0.000 0.203 3 D C 1.098 177.341 176.300 -0.094 0.000 0.988 3 D CA 2.044 56.016 54.000 -0.045 0.000 0.864 3 D CB -1.423 39.384 40.800 0.010 0.000 0.928 3 D HN 0.463 nan 8.370 nan 0.000 0.469 4 T N -2.469 112.023 114.554 -0.104 0.000 3.129 4 T HA 0.044 4.394 4.350 -0.000 0.000 0.251 4 T C 1.064 175.672 174.700 -0.153 0.000 1.117 4 T CA 0.081 62.094 62.100 -0.144 0.000 1.034 4 T CB -0.248 68.541 68.868 -0.132 0.000 0.968 4 T HN 0.212 nan 8.240 nan 0.000 0.526 5 S N 0.539 116.159 115.700 -0.134 0.000 2.579 5 S HA 0.180 4.650 4.470 -0.000 0.000 0.275 5 S C 1.491 175.984 174.600 -0.179 0.000 1.345 5 S CA -0.369 57.750 58.200 -0.135 0.000 1.031 5 S CB 1.277 64.413 63.200 -0.107 0.000 0.892 5 S HN 0.190 nan 8.310 nan 0.000 0.529 6 V N 3.927 123.735 119.914 -0.177 0.000 2.867 6 V HA -0.086 4.034 4.120 -0.000 0.000 0.260 6 V C 2.304 178.238 176.094 -0.267 0.000 1.099 6 V CA 2.545 64.713 62.300 -0.220 0.000 1.122 6 V CB -1.077 30.634 31.823 -0.186 0.000 0.708 6 V HN 1.061 nan 8.190 nan 0.000 0.490 7 S N -0.124 115.445 115.700 -0.218 0.000 2.522 7 S HA -0.009 4.461 4.470 -0.000 0.000 0.227 7 S C 1.149 175.656 174.600 -0.155 0.000 0.986 7 S CA 0.463 58.544 58.200 -0.199 0.000 0.929 7 S CB -0.665 62.449 63.200 -0.144 0.000 0.769 7 S HN 0.619 nan 8.310 nan 0.000 0.529 8 N N 2.544 121.141 118.700 -0.170 0.000 2.549 8 N HA 0.165 4.905 4.740 -0.000 0.000 0.267 8 N C 0.289 175.708 175.510 -0.151 0.000 1.182 8 N CA 0.024 52.989 53.050 -0.142 0.000 1.019 8 N CB 0.298 38.688 38.487 -0.161 0.000 1.380 8 N HN 0.455 nan 8.380 nan 0.000 0.505 9 K N 1.624 122.005 120.400 -0.032 0.000 2.525 9 K HA -0.010 4.310 4.320 -0.000 0.000 0.192 9 K C 0.610 177.371 176.600 0.269 0.000 1.029 9 K CA 0.516 56.874 56.287 0.119 0.000 1.029 9 K CB 0.474 33.063 32.500 0.149 0.000 0.814 9 K HN 0.384 nan 8.250 nan 0.000 0.503 10 Q N 0.244 120.145 119.800 0.167 0.000 2.384 10 Q HA 0.089 4.429 4.340 -0.000 0.000 0.207 10 Q C -0.394 175.767 176.000 0.269 0.000 0.904 10 Q CA 0.241 56.202 55.803 0.263 0.000 0.933 10 Q CB 0.532 29.384 28.738 0.190 0.000 1.077 10 Q HN 0.077 nan 8.270 nan 0.000 0.522 11 N N -0.738 117.967 118.700 0.010 0.000 2.500 11 N HA 0.168 4.908 4.740 -0.000 0.000 0.291 11 N C -1.337 173.914 175.510 -0.430 0.000 1.092 11 N CA -0.275 52.583 53.050 -0.321 0.000 0.890 11 N CB 0.512 38.761 38.487 -0.396 0.000 1.466 11 N HN -0.131 nan 8.380 nan 0.000 0.507 12 F N 1.127 120.604 119.950 -0.789 0.000 2.682 12 F HA 0.292 4.819 4.527 -0.000 0.000 0.308 12 F C 1.932 177.439 175.800 -0.489 0.000 1.093 12 F CA -0.083 57.532 58.000 -0.642 0.000 1.244 12 F CB 0.419 38.910 39.000 -0.849 0.000 1.052 12 F HN 0.434 nan 8.300 nan 0.000 0.573 13 S N -0.498 114.990 115.700 -0.353 0.000 2.440 13 S HA -0.188 4.282 4.470 -0.000 0.000 0.238 13 S C 2.151 176.544 174.600 -0.345 0.000 1.010 13 S CA 1.907 59.932 58.200 -0.292 0.000 0.972 13 S CB -0.566 62.507 63.200 -0.212 0.000 0.774 13 S HN 0.542 nan 8.310 nan 0.000 0.501 14 T N -0.799 113.536 114.554 -0.365 0.000 3.086 14 T HA 0.152 4.502 4.350 -0.000 0.000 0.250 14 T C 0.083 174.626 174.700 -0.261 0.000 1.074 14 T CA -0.308 61.583 62.100 -0.348 0.000 0.988 14 T CB 0.031 68.694 68.868 -0.342 0.000 0.988 14 T HN 0.057 nan 8.240 nan 0.000 0.530 15 D N 0.788 121.048 120.400 -0.233 0.000 2.385 15 D HA 0.531 5.171 4.640 -0.000 0.000 0.254 15 D C -0.833 175.415 176.300 -0.087 0.000 1.053 15 D CA -0.474 53.430 54.000 -0.160 0.000 0.992 15 D CB 2.401 43.104 40.800 -0.161 0.000 1.145 15 D HN 0.024 nan 8.370 nan 0.000 0.523 16 V N 1.745 121.636 119.914 -0.038 0.000 2.443 16 V HA 0.317 4.437 4.120 -0.000 0.000 0.293 16 V C 0.085 176.229 176.094 0.084 0.000 1.021 16 V CA -0.644 61.655 62.300 -0.001 0.000 0.848 16 V CB 1.497 33.299 31.823 -0.035 0.000 0.998 16 V HN 0.344 nan 8.190 nan 0.000 0.424 17 I N 4.718 125.373 120.570 0.142 0.000 2.396 17 I HA 0.348 4.518 4.170 -0.000 0.000 0.292 17 I C -0.850 175.430 176.117 0.271 0.000 0.999 17 I CA -0.535 60.911 61.300 0.243 0.000 1.310 17 I CB 0.998 39.175 38.000 0.296 0.000 1.404 17 I HN 0.598 nan 8.210 nan 0.000 0.496 18 Y N 6.092 126.471 120.300 0.132 0.000 2.356 18 Y HA 0.244 4.794 4.550 -0.000 0.000 0.334 18 Y C -0.023 175.919 175.900 0.070 0.000 0.958 18 Y CA -0.527 57.622 58.100 0.082 0.000 1.196 18 Y CB 0.988 39.467 38.460 0.030 0.000 1.137 18 Y HN 0.500 nan 8.280 nan 0.000 0.485 19 Q N 6.989 126.663 119.800 -0.210 0.000 2.307 19 Q HA 0.403 4.743 4.340 -0.000 0.000 0.259 19 Q C -1.300 174.494 176.000 -0.342 0.000 0.998 19 Q CA -0.183 55.407 55.803 -0.355 0.000 0.923 19 Q CB 0.511 28.902 28.738 -0.578 0.000 1.196 19 Q HN 0.787 nan 8.270 nan 0.000 0.416 20 I N 3.883 124.260 120.570 -0.322 0.000 2.404 20 I HA 0.235 4.405 4.170 -0.000 0.000 0.293 20 I C -0.723 175.221 176.117 -0.290 0.000 0.992 20 I CA -0.765 60.326 61.300 -0.348 0.000 1.149 20 I CB 1.119 38.869 38.000 -0.416 0.000 1.315 20 I HN 0.562 nan 8.210 nan 0.000 0.446 21 F N 5.215 124.837 119.950 -0.548 0.000 2.368 21 F HA 0.169 4.696 4.527 -0.000 0.000 0.362 21 F C 1.684 177.289 175.800 -0.324 0.000 1.137 21 F CA -0.034 57.757 58.000 -0.348 0.000 1.161 21 F CB 0.761 39.626 39.000 -0.225 0.000 1.265 21 F HN 0.554 nan 8.300 nan 0.000 0.530 22 T N 1.478 115.857 114.554 -0.292 0.000 2.620 22 T HA -0.349 4.001 4.350 -0.000 0.000 0.267 22 T C 1.680 176.339 174.700 -0.068 0.000 1.044 22 T CA 2.215 64.159 62.100 -0.261 0.000 1.161 22 T CB -0.275 68.183 68.868 -0.682 0.000 0.862 22 T HN 0.597 nan 8.240 nan 0.000 0.438 23 D N 0.395 120.813 120.400 0.031 0.000 2.263 23 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 23 D C 1.884 178.288 176.300 0.174 0.000 0.971 23 D CA 0.718 54.848 54.000 0.217 0.000 0.867 23 D CB 0.123 41.143 40.800 0.368 0.000 0.929 23 D HN 0.166 nan 8.370 nan 0.000 0.492 24 R N -0.745 119.831 120.500 0.127 0.000 2.468 24 R HA 0.112 4.452 4.340 -0.000 0.000 0.280 24 R C 0.764 177.100 176.300 0.061 0.000 0.963 24 R CA -0.173 55.969 56.100 0.070 0.000 1.083 24 R CB -0.228 30.114 30.300 0.069 0.000 1.200 24 R HN 0.269 nan 8.270 nan 0.000 0.541 25 F N 0.552 120.454 119.950 -0.081 0.000 2.287 25 F HA 0.269 4.796 4.527 -0.000 0.000 0.276 25 F C 0.365 176.263 175.800 0.164 0.000 1.047 25 F CA 0.320 58.330 58.000 0.016 0.000 1.194 25 F CB 0.424 39.424 39.000 0.000 0.000 1.118 25 F HN -0.184 nan 8.300 nan 0.000 0.556 26 S N -0.067 115.710 115.700 0.128 0.000 2.592 26 S HA 0.211 4.681 4.470 -0.000 0.000 0.275 26 S C -1.948 172.712 174.600 0.101 0.000 1.169 26 S CA -0.831 57.398 58.200 0.048 0.000 0.958 26 S CB 0.729 63.882 63.200 -0.078 0.000 1.095 26 S HN 0.216 nan 8.310 nan 0.000 0.471 27 D N 3.455 123.909 120.400 0.090 0.000 2.393 27 D HA 0.449 5.089 4.640 -0.000 0.000 0.232 27 D C 1.135 177.477 176.300 0.069 0.000 1.192 27 D CA 0.148 54.206 54.000 0.097 0.000 0.882 27 D CB 0.745 41.615 40.800 0.117 0.000 1.038 27 D HN 0.674 nan 8.370 nan 0.000 0.499 28 G N 3.278 112.120 108.800 0.069 0.000 2.887 28 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.211 28 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.211 28 G C 0.587 175.514 174.900 0.045 0.000 1.152 28 G CA -0.276 44.856 45.100 0.054 0.000 0.769 28 G HN 0.476 nan 8.290 nan 0.000 0.541 29 N N -0.112 118.614 118.700 0.042 0.000 2.609 29 N HA 0.347 5.087 4.740 -0.000 0.000 0.268 29 N C -2.328 173.182 175.510 0.000 0.000 1.106 29 N CA -1.966 51.097 53.050 0.023 0.000 0.823 29 N CB 2.250 40.754 38.487 0.028 0.000 1.263 29 N HN -0.237 nan 8.380 nan 0.000 0.533 30 P HA 0.018 nan 4.420 nan 0.000 0.225 30 P C 0.843 178.092 177.300 -0.086 0.000 1.148 30 P CA 0.671 63.748 63.100 -0.039 0.000 0.779 30 P CB 0.319 32.006 31.700 -0.022 0.000 0.780 31 A N 1.076 123.859 122.820 -0.062 0.000 2.015 31 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 31 A C 1.745 179.269 177.584 -0.101 0.000 1.163 31 A CA 1.689 53.681 52.037 -0.074 0.000 0.646 31 A CB -1.308 17.666 19.000 -0.044 0.000 0.806 31 A HN 0.313 nan 8.150 nan 0.000 0.448 32 N N -0.157 118.486 118.700 -0.096 0.000 2.322 32 N HA 0.018 4.758 4.740 -0.000 0.000 0.194 32 N C -0.568 174.833 175.510 -0.183 0.000 1.126 32 N CA -0.270 52.708 53.050 -0.119 0.000 0.845 32 N CB -0.585 37.849 38.487 -0.088 0.000 0.976 32 N HN 0.181 nan 8.380 nan 0.000 0.475 33 N N 2.126 120.685 118.700 -0.235 0.000 2.492 33 N HA 0.198 4.937 4.740 -0.000 0.000 0.262 33 N C -2.238 173.000 175.510 -0.453 0.000 1.202 33 N CA -0.962 51.856 53.050 -0.387 0.000 0.926 33 N CB 0.194 38.277 38.487 -0.673 0.000 1.078 33 N HN 0.200 nan 8.380 nan 0.000 0.454 34 P HA 0.128 nan 4.420 nan 0.000 0.273 34 P C -0.068 177.061 177.300 -0.285 0.000 1.250 34 P CA -0.145 62.782 63.100 -0.289 0.000 0.793 34 P CB 0.511 32.058 31.700 -0.254 0.000 1.011 35 T N -3.161 111.324 114.554 -0.115 0.000 2.907 35 T HA 0.699 5.049 4.350 -0.000 0.000 0.290 35 T C 0.421 175.160 174.700 0.066 0.000 1.066 35 T CA -0.037 62.030 62.100 -0.055 0.000 1.012 35 T CB 1.358 70.175 68.868 -0.085 0.000 1.184 35 T HN 0.745 nan 8.240 nan 0.000 0.522 36 G N 0.856 109.708 108.800 0.087 0.000 2.528 36 G HA2 0.061 4.021 3.960 -0.000 0.000 0.262 36 G HA3 0.061 4.021 3.960 -0.000 0.000 0.262 36 G C 1.030 176.006 174.900 0.126 0.000 1.200 36 G CA 0.424 45.577 45.100 0.089 0.000 0.951 36 G HN 1.860 nan 8.290 nan 0.000 0.566 37 A N -0.177 122.702 122.820 0.098 0.000 2.239 37 A HA 0.531 4.851 4.320 -0.000 0.000 0.209 37 A C 2.423 180.084 177.584 0.128 0.000 1.171 37 A CA 2.216 54.310 52.037 0.096 0.000 0.768 37 A CB -0.555 18.488 19.000 0.071 0.000 0.790 37 A HN 2.243 nan 8.150 nan 0.000 0.478 38 A N -1.840 121.086 122.820 0.176 0.000 2.308 38 A HA 0.540 4.860 4.320 -0.000 0.000 0.217 38 A C 0.131 177.923 177.584 0.347 0.000 1.216 38 A CA -0.074 52.112 52.037 0.249 0.000 0.864 38 A CB -0.119 19.031 19.000 0.251 0.000 0.902 38 A HN 0.463 nan 8.150 nan 0.000 0.499 39 F N -0.310 119.702 119.950 0.105 0.000 2.551 39 F HA 0.602 5.129 4.527 -0.000 0.000 0.316 39 F C -1.623 174.214 175.800 0.063 0.000 1.089 39 F CA -1.313 56.745 58.000 0.098 0.000 0.915 39 F CB 1.957 40.990 39.000 0.055 0.000 1.186 39 F HN -0.024 nan 8.300 nan 0.000 0.456 40 D N 3.218 122.998 120.400 -1.033 0.000 2.330 40 D HA 0.258 4.898 4.640 -0.000 0.000 0.249 40 D C 0.864 176.613 176.300 -0.920 0.000 1.306 40 D CA 0.002 53.585 54.000 -0.695 0.000 0.956 40 D CB 1.119 41.726 40.800 -0.322 0.000 1.261 40 D HN 0.710 nan 8.370 nan 0.000 0.544 41 G N 1.694 110.014 108.800 -0.800 0.000 2.462 41 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 41 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 41 G C 1.329 176.150 174.900 -0.131 0.000 1.121 41 G CA 1.552 46.499 45.100 -0.255 0.000 0.758 41 G HN 0.544 nan 8.290 nan 0.000 0.559 42 T N -3.782 110.690 114.554 -0.137 0.000 3.088 42 T HA 0.031 4.381 4.350 -0.000 0.000 0.259 42 T C 1.297 175.936 174.700 -0.101 0.000 1.122 42 T CA 0.601 62.651 62.100 -0.083 0.000 1.095 42 T CB -0.621 68.212 68.868 -0.060 0.000 0.930 42 T HN 0.595 nan 8.240 nan 0.000 0.508 43 c N 1.682 120.185 118.600 -0.161 0.000 4.167 43 c HA -0.189 4.381 4.570 -0.000 0.000 0.302 43 c C 1.520 175.545 174.090 -0.107 0.000 1.384 43 c CA 0.983 57.224 56.329 -0.146 0.000 2.041 43 c CB -2.675 39.773 42.510 -0.102 0.000 1.303 43 c HN 0.792 nan 8.230 nan 0.000 0.718 44 T N -0.381 114.111 114.554 -0.104 0.000 3.039 44 T HA 0.034 4.384 4.350 -0.000 0.000 0.250 44 T C 0.723 175.378 174.700 -0.074 0.000 1.052 44 T CA 0.835 62.891 62.100 -0.073 0.000 1.125 44 T CB -0.133 68.701 68.868 -0.056 0.000 0.908 44 T HN 0.686 nan 8.240 nan 0.000 0.473 45 N N 2.103 120.746 118.700 -0.095 0.000 2.462 45 N HA 0.198 4.938 4.740 -0.000 0.000 0.242 45 N C 0.488 175.916 175.510 -0.135 0.000 1.010 45 N CA -0.155 52.843 53.050 -0.087 0.000 0.939 45 N CB 0.626 39.071 38.487 -0.071 0.000 1.127 45 N HN 0.244 nan 8.380 nan 0.000 0.509 46 L N 3.123 124.271 121.223 -0.125 0.000 2.622 46 L HA 0.058 4.398 4.340 -0.000 0.000 0.233 46 L C 1.374 178.059 176.870 -0.309 0.000 1.156 46 L CA 0.498 55.221 54.840 -0.195 0.000 0.866 46 L CB -0.018 41.974 42.059 -0.112 0.000 0.980 46 L HN 0.375 nan 8.230 nan 0.000 0.448 47 R N -1.198 119.185 120.500 -0.196 0.000 2.397 47 R HA 0.270 4.610 4.340 -0.000 0.000 0.241 47 R C -0.307 175.920 176.300 -0.123 0.000 0.914 47 R CA -0.302 55.734 56.100 -0.106 0.000 1.071 47 R CB 0.496 30.850 30.300 0.089 0.000 1.116 47 R HN 0.066 nan 8.270 nan 0.000 0.524 48 L N -0.316 120.776 121.223 -0.219 0.000 2.298 48 L HA 0.362 4.702 4.340 -0.000 0.000 0.268 48 L C -0.153 176.595 176.870 -0.203 0.000 1.010 48 L CA -1.367 53.409 54.840 -0.107 0.000 0.812 48 L CB 0.318 42.346 42.059 -0.052 0.000 1.331 48 L HN -0.106 nan 8.230 nan 0.000 0.450 49 Y N -0.765 119.526 120.300 -0.015 0.000 2.359 49 Y HA 0.103 4.653 4.550 -0.000 0.000 0.330 49 Y C 1.021 176.845 175.900 -0.127 0.000 1.143 49 Y CA 0.158 58.297 58.100 0.064 0.000 1.318 49 Y CB 0.848 39.471 38.460 0.271 0.000 1.234 49 Y HN 0.495 nan 8.280 nan 0.000 0.522 50 c N 0.825 119.482 118.600 0.094 0.000 3.065 50 c HA 0.329 4.899 4.570 -0.000 0.000 0.285 50 c C 1.634 175.866 174.090 0.237 0.000 1.257 50 c CA 0.335 56.625 56.329 -0.065 0.000 1.691 50 c CB -0.466 42.006 42.510 -0.062 0.000 2.089 50 c HN 1.224 nan 8.230 nan 0.000 0.630 51 G N 0.549 109.633 108.800 0.473 0.000 2.179 51 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.220 51 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.220 51 G C 0.345 175.399 174.900 0.256 0.000 0.990 51 G CA -0.079 45.289 45.100 0.446 0.000 0.646 51 G HN 0.795 nan 8.290 nan 0.000 0.517 52 G N 0.461 109.400 108.800 0.233 0.000 2.432 52 G HA2 0.553 4.513 3.960 -0.000 0.000 0.239 52 G HA3 0.553 4.513 3.960 -0.000 0.000 0.239 52 G C 0.025 175.001 174.900 0.127 0.000 1.291 52 G CA 0.990 46.191 45.100 0.168 0.000 0.863 52 G HN 0.983 nan 8.290 nan 0.000 0.560 53 D N -0.577 119.875 120.400 0.086 0.000 2.752 53 D HA 0.227 4.867 4.640 -0.000 0.000 0.313 53 D C 0.494 176.845 176.300 0.085 0.000 1.225 53 D CA -0.900 53.093 54.000 -0.012 0.000 0.976 53 D CB 0.234 41.035 40.800 0.002 0.000 1.443 53 D HN 0.314 nan 8.370 nan 0.000 0.515 54 W N -0.505 120.860 121.300 0.108 0.000 2.402 54 W HA -0.015 4.645 4.660 -0.000 0.000 0.286 54 W C 2.025 178.586 176.519 0.069 0.000 1.221 54 W CA 0.813 58.205 57.345 0.078 0.000 1.257 54 W CB -0.924 28.602 29.460 0.109 0.000 1.120 54 W HN 0.525 nan 8.180 nan 0.000 0.551 55 Q N 0.448 120.404 119.800 0.260 0.000 2.084 55 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 55 Q C 2.423 178.504 176.000 0.135 0.000 0.978 55 Q CA 2.447 58.350 55.803 0.166 0.000 0.844 55 Q CB -1.047 27.762 28.738 0.117 0.000 0.898 55 Q HN 0.161 nan 8.270 nan 0.000 0.426 56 G N 0.509 109.394 108.800 0.143 0.000 2.446 56 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 56 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 56 G C 1.461 176.467 174.900 0.176 0.000 1.168 56 G CA 1.022 46.197 45.100 0.124 0.000 0.771 56 G HN 0.430 nan 8.290 nan 0.000 0.551 57 I N 0.448 121.179 120.570 0.268 0.000 2.226 57 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 57 I C 2.670 178.885 176.117 0.164 0.000 1.100 57 I CA 0.810 62.284 61.300 0.289 0.000 1.374 57 I CB -0.230 37.901 38.000 0.218 0.000 1.057 57 I HN 0.145 nan 8.210 nan 0.000 0.413 58 I N 0.913 121.557 120.570 0.123 0.000 2.208 58 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 58 I C 2.231 178.376 176.117 0.047 0.000 1.097 58 I CA 1.337 62.677 61.300 0.067 0.000 1.363 58 I CB -0.516 37.522 38.000 0.063 0.000 1.051 58 I HN 0.307 nan 8.210 nan 0.000 0.413 59 N N 0.865 119.591 118.700 0.043 0.000 2.120 59 N HA -0.156 4.584 4.740 -0.000 0.000 0.188 59 N C 1.701 177.187 175.510 -0.041 0.000 1.024 59 N CA 1.158 54.205 53.050 -0.005 0.000 0.852 59 N CB -0.233 38.239 38.487 -0.025 0.000 1.003 59 N HN 0.248 nan 8.380 nan 0.000 0.424 60 K N 0.653 121.033 120.400 -0.034 0.000 2.288 60 K HA 0.110 4.430 4.320 -0.000 0.000 0.201 60 K C 2.015 178.645 176.600 0.050 0.000 1.048 60 K CA 0.198 56.447 56.287 -0.062 0.000 0.956 60 K CB -0.111 32.339 32.500 -0.085 0.000 0.746 60 K HN 0.298 nan 8.250 nan 0.000 0.461 61 I N 0.983 121.588 120.570 0.058 0.000 2.406 61 I HA -0.220 3.950 4.170 -0.000 0.000 0.249 61 I C 1.472 177.601 176.117 0.019 0.000 1.122 61 I CA 1.053 62.376 61.300 0.039 0.000 1.431 61 I CB -0.135 37.881 38.000 0.026 0.000 1.087 61 I HN 0.218 nan 8.210 nan 0.000 0.424 62 N N 0.566 119.272 118.700 0.011 0.000 2.300 62 N HA -0.168 4.572 4.740 -0.000 0.000 0.179 62 N C 0.993 176.503 175.510 -0.001 0.000 1.016 62 N CA 1.061 54.113 53.050 0.003 0.000 0.876 62 N CB 0.013 38.501 38.487 0.002 0.000 0.979 62 N HN 0.401 nan 8.380 nan 0.000 0.432 63 D N -0.404 119.990 120.400 -0.010 0.000 2.349 63 D HA 0.077 4.717 4.640 -0.000 0.000 0.224 63 D C 1.181 177.493 176.300 0.020 0.000 1.029 63 D CA 0.368 54.361 54.000 -0.011 0.000 0.879 63 D CB -0.208 40.565 40.800 -0.045 0.000 0.906 63 D HN 0.214 nan 8.370 nan 0.000 0.528 64 G N -0.313 108.507 108.800 0.034 0.000 2.176 64 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.253 64 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.253 64 G C 0.613 175.573 174.900 0.101 0.000 0.979 64 G CA 0.364 45.494 45.100 0.050 0.000 0.641 64 G HN 0.372 nan 8.290 nan 0.000 0.530 65 Y N 0.781 121.079 120.300 -0.004 0.000 2.145 65 Y HA 0.096 4.646 4.550 -0.000 0.000 0.286 65 Y C 2.633 178.584 175.900 0.085 0.000 1.145 65 Y CA 2.410 60.551 58.100 0.068 0.000 1.148 65 Y CB -0.300 38.145 38.460 -0.024 0.000 0.981 65 Y HN 0.308 nan 8.280 nan 0.000 0.507 66 L N -0.919 120.273 121.223 -0.050 0.000 2.068 66 L HA -0.150 4.190 4.340 -0.000 0.000 0.204 66 L C 2.621 179.369 176.870 -0.203 0.000 1.076 66 L CA 1.694 56.398 54.840 -0.228 0.000 0.753 66 L CB -1.217 40.767 42.059 -0.126 0.000 0.910 66 L HN 0.309 nan 8.230 nan 0.000 0.439 67 T N -2.550 111.946 114.554 -0.097 0.000 2.788 67 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 67 T C 1.940 176.587 174.700 -0.089 0.000 1.044 67 T CA 1.148 63.199 62.100 -0.082 0.000 1.139 67 T CB -0.996 67.848 68.868 -0.040 0.000 0.867 67 T HN 0.387 nan 8.240 nan 0.000 0.454 68 G N 0.602 109.371 108.800 -0.051 0.000 2.432 68 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.219 68 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.219 68 G C 1.573 176.416 174.900 -0.094 0.000 1.135 68 G CA 0.699 45.809 45.100 0.017 0.000 0.767 68 G HN 0.500 nan 8.290 nan 0.000 0.550 69 M N -0.169 119.213 119.600 -0.365 0.000 2.419 69 M HA 0.168 4.648 4.480 -0.000 0.000 0.264 69 M C 1.835 177.905 176.300 -0.384 0.000 1.082 69 M CA 1.091 55.963 55.300 -0.713 0.000 1.119 69 M CB 0.277 32.320 32.600 -0.928 0.000 1.398 69 M HN 0.402 nan 8.290 nan 0.000 0.453 70 G N 0.399 109.050 108.800 -0.248 0.000 2.141 70 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.231 70 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.231 70 G C -0.033 174.775 174.900 -0.153 0.000 0.984 70 G CA -0.065 44.931 45.100 -0.172 0.000 0.660 70 G HN 0.309 nan 8.290 nan 0.000 0.525 71 V N 1.318 121.129 119.914 -0.172 0.000 2.715 71 V HA 0.537 4.657 4.120 -0.000 0.000 0.299 71 V C 1.590 177.642 176.094 -0.071 0.000 1.054 71 V CA 1.382 63.617 62.300 -0.108 0.000 1.077 71 V CB 1.527 33.262 31.823 -0.147 0.000 0.972 71 V HN 0.859 nan 8.190 nan 0.000 0.484 72 T N 0.570 115.105 114.554 -0.032 0.000 3.111 72 T HA 0.673 5.023 4.350 -0.000 0.000 0.284 72 T C -0.069 174.637 174.700 0.011 0.000 0.983 72 T CA 0.390 62.467 62.100 -0.038 0.000 0.900 72 T CB 0.424 69.239 68.868 -0.088 0.000 1.132 72 T HN 1.046 nan 8.240 nan 0.000 0.531 73 A N 1.544 124.420 122.820 0.094 0.000 2.604 73 A HA 0.795 5.115 4.320 -0.000 0.000 0.295 73 A C -1.380 176.345 177.584 0.235 0.000 1.067 73 A CA -1.198 50.961 52.037 0.204 0.000 0.683 73 A CB 1.158 20.375 19.000 0.361 0.000 1.281 73 A HN 0.801 nan 8.150 nan 0.000 0.407 74 I N -2.243 118.479 120.570 0.253 0.000 2.647 74 I HA 0.839 5.009 4.170 -0.000 0.000 0.295 74 I C -1.140 175.176 176.117 0.332 0.000 1.078 74 I CA -0.711 60.740 61.300 0.252 0.000 1.048 74 I CB 2.072 40.155 38.000 0.139 0.000 1.239 74 I HN 0.799 nan 8.210 nan 0.000 0.421 75 W N 8.800 130.177 121.300 0.129 0.000 2.411 75 W HA 0.775 5.435 4.660 -0.000 0.000 0.317 75 W C -1.373 175.172 176.519 0.043 0.000 1.030 75 W CA -1.905 55.510 57.345 0.117 0.000 1.239 75 W CB 0.809 30.385 29.460 0.192 0.000 1.304 75 W HN 0.663 nan 8.180 nan 0.000 0.437 76 I N 2.549 123.322 120.570 0.338 0.000 2.822 76 I HA 0.646 4.816 4.170 -0.000 0.000 0.312 76 I C 0.453 176.604 176.117 0.056 0.000 1.011 76 I CA -0.945 60.403 61.300 0.081 0.000 1.105 76 I CB 1.618 39.662 38.000 0.073 0.000 1.291 76 I HN 0.221 nan 8.210 nan 0.000 0.474 77 S N 1.824 117.412 115.700 -0.187 0.000 2.566 77 S HA -0.053 4.417 4.470 -0.000 0.000 0.280 77 S C 0.029 174.571 174.600 -0.095 0.000 1.343 77 S CA -0.231 57.782 58.200 -0.312 0.000 1.036 77 S CB 0.271 63.154 63.200 -0.528 0.000 0.866 77 S HN 0.729 nan 8.310 nan 0.000 0.526 78 Q N 3.207 122.900 119.800 -0.179 0.000 2.262 78 Q HA -0.015 4.325 4.340 -0.000 0.000 0.298 78 Q C -1.561 174.465 176.000 0.043 0.000 1.083 78 Q CA -0.837 54.910 55.803 -0.093 0.000 0.962 78 Q CB 0.604 29.229 28.738 -0.189 0.000 1.104 78 Q HN 0.305 nan 8.270 nan 0.000 0.376 79 P HA -0.045 nan 4.420 nan 0.000 0.240 79 P C 0.430 177.790 177.300 0.101 0.000 1.190 79 P CA 0.324 63.555 63.100 0.219 0.000 0.781 79 P CB -0.130 31.500 31.700 -0.116 0.000 0.931 80 V N -0.900 118.954 119.914 -0.100 0.000 3.096 80 V HA 0.143 4.263 4.120 -0.000 0.000 0.306 80 V C 0.476 176.517 176.094 -0.087 0.000 1.088 80 V CA -0.872 61.417 62.300 -0.018 0.000 1.129 80 V CB -0.030 31.731 31.823 -0.104 0.000 1.014 80 V HN 0.046 nan 8.190 nan 0.000 0.486 81 E N 3.372 123.544 120.200 -0.046 0.000 2.480 81 E HA 0.066 4.416 4.350 -0.000 0.000 0.258 81 E C -0.118 176.339 176.600 -0.239 0.000 0.984 81 E CA 0.115 56.434 56.400 -0.135 0.000 0.930 81 E CB 0.215 29.885 29.700 -0.050 0.000 0.936 81 E HN 0.895 nan 8.360 nan 0.000 0.466 82 N N 3.207 121.702 118.700 -0.342 0.000 2.459 82 N HA 0.291 5.031 4.740 -0.000 0.000 0.288 82 N C 0.064 175.307 175.510 -0.446 0.000 1.186 82 N CA -0.777 52.094 53.050 -0.299 0.000 0.917 82 N CB 1.039 39.371 38.487 -0.258 0.000 1.219 82 N HN 0.470 nan 8.380 nan 0.000 0.525 83 I N -1.120 119.323 120.570 -0.212 0.000 3.045 83 I HA -0.054 4.115 4.170 -0.000 0.000 0.288 83 I C 0.032 175.970 176.117 -0.298 0.000 1.238 83 I CA 0.206 61.389 61.300 -0.195 0.000 1.396 83 I CB 0.206 38.192 38.000 -0.023 0.000 1.355 83 I HN 0.601 nan 8.210 nan 0.000 0.601 84 Y N 1.633 121.943 120.300 0.016 0.000 2.458 84 Y HA 0.167 4.717 4.550 -0.000 0.000 0.254 84 Y C 1.422 177.341 175.900 0.032 0.000 1.120 84 Y CA -0.171 57.939 58.100 0.016 0.000 1.282 84 Y CB -0.247 38.195 38.460 -0.029 0.000 1.109 84 Y HN 0.592 nan 8.280 nan 0.000 0.526 85 S N 1.166 116.936 115.700 0.117 0.000 2.560 85 S HA 0.182 4.652 4.470 -0.000 0.000 0.284 85 S C -0.275 174.369 174.600 0.073 0.000 1.327 85 S CA -0.380 57.847 58.200 0.045 0.000 1.055 85 S CB 0.854 64.008 63.200 -0.077 0.000 0.868 85 S HN 0.113 nan 8.310 nan 0.000 0.506 86 I N 2.191 122.797 120.570 0.060 0.000 2.315 86 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 86 I C -0.231 175.889 176.117 0.004 0.000 1.006 86 I CA -0.083 61.270 61.300 0.088 0.000 1.265 86 I CB 0.573 38.625 38.000 0.088 0.000 1.387 86 I HN 0.551 nan 8.210 nan 0.000 0.475 87 I N 6.168 126.736 120.570 -0.003 0.000 2.315 87 I HA 0.215 4.385 4.170 -0.000 0.000 0.291 87 I C 0.045 176.053 176.117 -0.181 0.000 1.006 87 I CA -0.496 60.684 61.300 -0.199 0.000 1.265 87 I CB 1.040 38.788 38.000 -0.421 0.000 1.387 87 I HN 0.532 nan 8.210 nan 0.000 0.475 88 N N 5.423 124.027 118.700 -0.159 0.000 2.414 88 N HA 0.185 4.925 4.740 -0.000 0.000 0.256 88 N C -1.326 174.123 175.510 -0.101 0.000 1.029 88 N CA -0.243 52.769 53.050 -0.063 0.000 0.948 88 N CB 0.437 38.925 38.487 0.003 0.000 1.102 88 N HN 0.301 nan 8.380 nan 0.000 0.496 89 Y N 2.975 123.345 120.300 0.117 0.000 2.931 89 Y HA 0.241 4.791 4.550 -0.000 0.000 0.330 89 Y C 0.256 176.189 175.900 0.054 0.000 1.115 89 Y CA -0.809 57.346 58.100 0.091 0.000 1.283 89 Y CB 0.005 38.526 38.460 0.102 0.000 1.215 89 Y HN 0.621 nan 8.280 nan 0.000 0.534 90 S N 1.529 117.333 115.700 0.173 0.000 3.608 90 S HA -0.146 4.324 4.470 -0.000 0.000 0.382 90 S C 1.279 175.929 174.600 0.083 0.000 0.945 90 S CA 1.066 59.328 58.200 0.102 0.000 1.256 90 S CB -1.451 61.800 63.200 0.086 0.000 0.913 90 S HN 1.378 nan 8.310 nan 0.000 0.518 91 G N -1.866 106.979 108.800 0.075 0.000 2.397 91 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.211 91 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.211 91 G C 0.022 174.964 174.900 0.070 0.000 1.077 91 G CA -0.170 44.967 45.100 0.060 0.000 0.649 91 G HN 1.604 nan 8.290 nan 0.000 0.511 92 V N 1.491 121.465 119.914 0.099 0.000 2.465 92 V HA 0.644 4.764 4.120 -0.000 0.000 0.279 92 V C 0.082 176.251 176.094 0.125 0.000 1.045 92 V CA -1.334 61.032 62.300 0.109 0.000 0.938 92 V CB 1.493 33.389 31.823 0.122 0.000 0.986 92 V HN 0.301 nan 8.190 nan 0.000 0.467 93 N N 3.962 122.724 118.700 0.102 0.000 2.488 93 N HA 0.339 5.079 4.740 -0.000 0.000 0.274 93 N C -0.521 175.083 175.510 0.156 0.000 1.111 93 N CA -0.017 53.095 53.050 0.104 0.000 0.974 93 N CB 0.533 39.068 38.487 0.081 0.000 1.089 93 N HN 0.757 nan 8.380 nan 0.000 0.465 94 N N 0.078 118.901 118.700 0.205 0.000 2.258 94 N HA 0.378 5.118 4.740 -0.000 0.000 0.299 94 N C -0.545 175.166 175.510 0.334 0.000 1.047 94 N CA -0.412 52.830 53.050 0.320 0.000 0.814 94 N CB 2.157 40.969 38.487 0.542 0.000 1.413 94 N HN 0.526 nan 8.380 nan 0.000 0.478 95 T N -2.508 112.214 114.554 0.281 0.000 2.940 95 T HA 0.594 4.943 4.350 -0.000 0.000 0.288 95 T C 0.461 175.115 174.700 -0.075 0.000 1.045 95 T CA -0.774 61.449 62.100 0.205 0.000 1.018 95 T CB 1.672 70.642 68.868 0.170 0.000 1.151 95 T HN 0.365 nan 8.240 nan 0.000 0.529 96 A N 0.690 123.382 122.820 -0.214 0.000 2.648 96 A HA 0.293 4.613 4.320 -0.000 0.000 0.269 96 A C 1.210 178.178 177.584 -1.027 0.000 1.392 96 A CA -0.356 51.194 52.037 -0.811 0.000 1.019 96 A CB -1.610 17.249 19.000 -0.235 0.000 1.009 96 A HN 0.957 nan 8.150 nan 0.000 0.565 97 Y N -0.116 119.530 120.300 -1.091 0.000 2.315 97 Y HA -0.311 4.239 4.550 -0.000 0.000 0.288 97 Y C 1.805 177.441 175.900 -0.441 0.000 1.154 97 Y CA 1.752 59.230 58.100 -1.036 0.000 1.229 97 Y CB -1.207 36.728 38.460 -0.874 0.000 0.980 97 Y HN 0.660 nan 8.280 nan 0.000 0.540 98 H N -1.331 116.940 119.070 -1.331 0.000 2.495 98 H HA 0.289 4.845 4.556 -0.000 0.000 0.287 98 H C 2.039 176.907 175.328 -0.767 0.000 1.033 98 H CA 0.357 55.815 56.048 -0.984 0.000 1.307 98 H CB -0.663 28.623 29.762 -0.793 0.000 1.401 98 H HN 0.418 nan 8.280 nan 0.000 0.555 99 G N -0.388 108.041 108.800 -0.618 0.000 2.176 99 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.253 99 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.253 99 G C 0.364 175.057 174.900 -0.346 0.000 0.979 99 G CA 0.439 45.292 45.100 -0.411 0.000 0.641 99 G HN 0.515 nan 8.290 nan 0.000 0.530 100 Y N -1.150 119.172 120.300 0.036 0.000 2.466 100 Y HA 0.376 4.926 4.550 -0.000 0.000 0.272 100 Y C 0.843 176.974 175.900 0.385 0.000 1.169 100 Y CA -0.515 57.680 58.100 0.160 0.000 1.285 100 Y CB 0.323 38.870 38.460 0.145 0.000 1.078 100 Y HN 0.371 nan 8.280 nan 0.000 0.523 101 W N 1.457 122.896 121.300 0.231 0.000 2.101 101 W HA 0.677 5.337 4.660 -0.000 0.000 0.301 101 W C 0.055 176.557 176.519 -0.029 0.000 0.846 101 W CA -2.136 55.298 57.345 0.149 0.000 1.823 101 W CB -0.501 29.030 29.460 0.117 0.000 2.007 101 W HN -0.168 nan 8.180 nan 0.000 0.373 102 A N 2.231 125.117 122.820 0.109 0.000 2.462 102 A HA 0.343 4.663 4.320 -0.000 0.000 0.243 102 A C 1.492 179.018 177.584 -0.096 0.000 1.076 102 A CA 0.165 52.079 52.037 -0.205 0.000 0.773 102 A CB 0.542 19.098 19.000 -0.740 0.000 1.010 102 A HN 0.648 nan 8.150 nan 0.000 0.493 103 R N 0.401 120.830 120.500 -0.119 0.000 2.412 103 R HA 0.159 4.499 4.340 -0.000 0.000 0.212 103 R C -0.970 175.439 176.300 0.181 0.000 0.878 103 R CA 0.513 56.659 56.100 0.076 0.000 1.022 103 R CB 0.696 31.028 30.300 0.053 0.000 1.265 103 R HN 0.600 nan 8.270 nan 0.000 0.620 104 D N -0.123 120.307 120.400 0.049 0.000 2.613 104 D HA 0.139 4.779 4.640 -0.000 0.000 0.230 104 D C -0.630 175.785 176.300 0.192 0.000 1.365 104 D CA -0.573 53.578 54.000 0.250 0.000 0.976 104 D CB 0.981 41.914 40.800 0.222 0.000 1.415 104 D HN 0.022 nan 8.370 nan 0.000 0.589 105 F N 1.986 122.180 119.950 0.407 0.000 2.802 105 F HA 0.151 4.678 4.527 -0.000 0.000 0.300 105 F C 1.992 178.060 175.800 0.446 0.000 1.168 105 F CA 0.552 58.773 58.000 0.369 0.000 1.433 105 F CB 0.234 39.416 39.000 0.303 0.000 1.115 105 F HN 0.142 nan 8.300 nan 0.000 0.582 106 K N -0.482 120.187 120.400 0.447 0.000 2.358 106 K HA 0.161 4.481 4.320 -0.000 0.000 0.200 106 K C 0.292 177.002 176.600 0.183 0.000 1.030 106 K CA 0.136 56.578 56.287 0.258 0.000 1.097 106 K CB 0.547 33.146 32.500 0.165 0.000 0.862 106 K HN 0.079 nan 8.250 nan 0.000 0.534 107 K N 0.365 120.927 120.400 0.270 0.000 2.395 107 K HA 0.275 4.595 4.320 -0.000 0.000 0.245 107 K C -0.263 176.525 176.600 0.314 0.000 1.017 107 K CA -0.746 55.667 56.287 0.211 0.000 0.852 107 K CB 1.957 34.544 32.500 0.144 0.000 1.311 107 K HN -0.044 nan 8.250 nan 0.000 0.452 108 T N -1.683 113.038 114.554 0.278 0.000 2.912 108 T HA 0.215 4.565 4.350 -0.000 0.000 0.280 108 T C 0.081 174.845 174.700 0.106 0.000 0.989 108 T CA -0.847 61.450 62.100 0.330 0.000 0.995 108 T CB 0.915 70.060 68.868 0.463 0.000 1.077 108 T HN 0.435 nan 8.240 nan 0.000 0.531 109 N N 2.254 120.939 118.700 -0.024 0.000 2.406 109 N HA 0.217 4.957 4.740 -0.000 0.000 0.251 109 N C -1.500 173.836 175.510 -0.291 0.000 1.069 109 N CA -2.401 50.475 53.050 -0.291 0.000 0.947 109 N CB 1.246 39.315 38.487 -0.696 0.000 1.111 109 N HN 0.366 nan 8.380 nan 0.000 0.497 110 P HA -0.109 nan 4.420 nan 0.000 0.221 110 P C 0.764 177.940 177.300 -0.206 0.000 1.145 110 P CA 0.821 63.850 63.100 -0.119 0.000 0.795 110 P CB 0.217 31.896 31.700 -0.034 0.000 0.775 111 A N -1.179 121.447 122.820 -0.322 0.000 2.014 111 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 111 A C 1.932 179.410 177.584 -0.176 0.000 1.163 111 A CA 1.032 52.885 52.037 -0.306 0.000 0.652 111 A CB -1.342 17.368 19.000 -0.484 0.000 0.808 111 A HN 0.073 nan 8.150 nan 0.000 0.449 112 Y N -0.738 119.285 120.300 -0.462 0.000 2.314 112 Y HA 0.377 4.927 4.550 -0.000 0.000 0.294 112 Y C 1.600 176.917 175.900 -0.971 0.000 1.119 112 Y CA 0.129 57.679 58.100 -0.918 0.000 1.179 112 Y CB -0.675 36.874 38.460 -1.518 0.000 1.025 112 Y HN 0.424 nan 8.280 nan 0.000 0.541 113 G N -1.009 107.493 108.800 -0.496 0.000 2.356 113 G HA2 0.296 4.256 3.960 -0.000 0.000 0.288 113 G HA3 0.296 4.256 3.960 -0.000 0.000 0.288 113 G C -0.765 174.234 174.900 0.165 0.000 1.302 113 G CA -0.483 44.580 45.100 -0.062 0.000 0.887 113 G HN 0.184 nan 8.290 nan 0.000 0.521 114 T N -1.766 112.974 114.554 0.310 0.000 2.923 114 T HA 0.609 4.958 4.350 -0.000 0.000 0.281 114 T C 1.501 176.462 174.700 0.436 0.000 0.995 114 T CA -0.159 62.118 62.100 0.295 0.000 0.985 114 T CB 1.574 70.553 68.868 0.186 0.000 1.114 114 T HN 0.518 nan 8.240 nan 0.000 0.548 115 I N 0.860 121.612 120.570 0.304 0.000 2.454 115 I HA -0.051 4.119 4.170 -0.000 0.000 0.254 115 I C 2.735 179.009 176.117 0.262 0.000 1.156 115 I CA 1.391 62.856 61.300 0.275 0.000 1.433 115 I CB -0.548 37.522 38.000 0.115 0.000 1.082 115 I HN 0.890 nan 8.210 nan 0.000 0.432 116 A N 0.004 122.952 122.820 0.213 0.000 1.930 116 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 116 A C 2.004 179.706 177.584 0.195 0.000 1.175 116 A CA 1.748 53.883 52.037 0.164 0.000 0.627 116 A CB -0.477 18.597 19.000 0.123 0.000 0.815 116 A HN 0.318 nan 8.150 nan 0.000 0.443 117 D N -0.951 119.623 120.400 0.290 0.000 2.097 117 D HA -0.133 4.507 4.640 -0.000 0.000 0.195 117 D C 1.628 178.112 176.300 0.307 0.000 0.989 117 D CA 1.146 55.356 54.000 0.350 0.000 0.827 117 D CB -0.462 40.656 40.800 0.531 0.000 0.966 117 D HN 0.432 nan 8.370 nan 0.000 0.456 118 F N 1.830 121.880 119.950 0.166 0.000 2.095 118 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 118 F C 2.446 178.166 175.800 -0.132 0.000 1.104 118 F CA 1.604 59.465 58.000 -0.231 0.000 1.232 118 F CB -0.151 38.703 39.000 -0.243 0.000 0.987 118 F HN -0.059 nan 8.300 nan 0.000 0.475 119 Q N -0.300 119.554 119.800 0.089 0.000 2.170 119 Q HA -0.211 4.128 4.340 -0.000 0.000 0.203 119 Q C 1.880 177.829 176.000 -0.085 0.000 0.976 119 Q CA 1.796 57.596 55.803 -0.005 0.000 0.858 119 Q CB -0.542 28.237 28.738 0.067 0.000 0.907 119 Q HN 0.614 nan 8.270 nan 0.000 0.433 120 N N 0.273 118.951 118.700 -0.037 0.000 2.244 120 N HA -0.127 4.613 4.740 -0.000 0.000 0.183 120 N C 1.671 177.118 175.510 -0.105 0.000 1.016 120 N CA 0.292 53.321 53.050 -0.036 0.000 0.866 120 N CB 0.029 38.534 38.487 0.029 0.000 0.980 120 N HN 0.075 nan 8.380 nan 0.000 0.430 121 L N 1.565 122.675 121.223 -0.189 0.000 1.994 121 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 121 L C 1.789 178.443 176.870 -0.359 0.000 1.071 121 L CA 1.500 56.174 54.840 -0.277 0.000 0.745 121 L CB -0.686 41.086 42.059 -0.479 0.000 0.892 121 L HN 0.147 nan 8.230 nan 0.000 0.431 122 I N 0.191 120.457 120.570 -0.506 0.000 2.208 122 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 122 I C 2.671 178.510 176.117 -0.464 0.000 1.097 122 I CA 1.530 62.490 61.300 -0.567 0.000 1.363 122 I CB -1.930 35.757 38.000 -0.522 0.000 1.051 122 I HN 0.379 nan 8.210 nan 0.000 0.413 123 A N 0.893 123.564 122.820 -0.248 0.000 1.873 123 A HA -0.076 4.244 4.320 -0.000 0.000 0.215 123 A C 2.606 180.146 177.584 -0.074 0.000 1.186 123 A CA 1.971 53.939 52.037 -0.115 0.000 0.616 123 A CB -0.840 18.124 19.000 -0.059 0.000 0.823 123 A HN 0.407 nan 8.150 nan 0.000 0.442 124 A N -0.098 122.673 122.820 -0.082 0.000 1.902 124 A HA 0.134 4.454 4.320 -0.000 0.000 0.217 124 A C 2.515 180.077 177.584 -0.037 0.000 1.181 124 A CA 2.282 54.293 52.037 -0.044 0.000 0.623 124 A CB -1.087 17.891 19.000 -0.035 0.000 0.818 124 A HN 1.032 nan 8.150 nan 0.000 0.443 125 A N -0.628 122.143 122.820 -0.081 0.000 1.835 125 A HA -0.210 4.110 4.320 -0.000 0.000 0.215 125 A C 1.938 179.556 177.584 0.056 0.000 1.199 125 A CA 1.695 53.708 52.037 -0.040 0.000 0.615 125 A CB -1.258 17.683 19.000 -0.099 0.000 0.838 125 A HN 0.742 nan 8.150 nan 0.000 0.444 126 H N -0.758 118.284 119.070 -0.048 0.000 2.390 126 H HA -0.108 4.448 4.556 -0.000 0.000 0.298 126 H C 2.386 177.691 175.328 -0.038 0.000 1.106 126 H CA 0.668 56.691 56.048 -0.042 0.000 1.297 126 H CB -0.013 29.726 29.762 -0.039 0.000 1.375 126 H HN 0.572 nan 8.280 nan 0.000 0.509 127 A N 0.944 123.816 122.820 0.087 0.000 2.019 127 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 127 A C 1.740 179.334 177.584 0.017 0.000 1.164 127 A CA 1.156 53.214 52.037 0.036 0.000 0.644 127 A CB 0.089 19.100 19.000 0.019 0.000 0.805 127 A HN 0.180 nan 8.150 nan 0.000 0.449 128 K N -0.170 120.240 120.400 0.017 0.000 2.440 128 K HA 0.114 4.434 4.320 -0.000 0.000 0.206 128 K C -0.406 176.188 176.600 -0.009 0.000 1.025 128 K CA -0.238 56.049 56.287 -0.000 0.000 1.135 128 K CB 0.128 32.626 32.500 -0.003 0.000 0.856 128 K HN 0.450 nan 8.250 nan 0.000 0.502 129 N N 0.848 119.545 118.700 -0.006 0.000 2.776 129 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 129 N C -0.670 174.823 175.510 -0.030 0.000 1.111 129 N CA 0.746 53.775 53.050 -0.035 0.000 0.711 129 N CB -1.541 36.912 38.487 -0.057 0.000 1.065 129 N HN 0.338 nan 8.380 nan 0.000 0.556 130 I N 0.726 121.309 120.570 0.021 0.000 2.406 130 I HA 0.205 4.375 4.170 -0.000 0.000 0.290 130 I C 0.556 176.745 176.117 0.120 0.000 0.999 130 I CA -0.616 60.708 61.300 0.039 0.000 1.124 130 I CB 1.532 39.550 38.000 0.031 0.000 1.289 130 I HN -0.207 nan 8.210 nan 0.000 0.441 131 K N 4.664 125.125 120.400 0.102 0.000 2.154 131 K HA 0.573 4.893 4.320 -0.000 0.000 0.264 131 K C -0.895 175.857 176.600 0.254 0.000 1.008 131 K CA -0.617 55.787 56.287 0.195 0.000 0.937 131 K CB 1.856 34.409 32.500 0.089 0.000 1.002 131 K HN 0.271 nan 8.250 nan 0.000 0.469 132 V N 4.122 124.196 119.914 0.267 0.000 2.409 132 V HA 0.385 4.505 4.120 -0.000 0.000 0.291 132 V C -0.301 175.931 176.094 0.229 0.000 1.020 132 V CA -0.747 61.656 62.300 0.171 0.000 0.848 132 V CB 1.186 32.990 31.823 -0.030 0.000 0.990 132 V HN 0.590 nan 8.190 nan 0.000 0.430 133 I N 5.910 126.621 120.570 0.236 0.000 2.493 133 I HA 0.592 4.761 4.170 -0.000 0.000 0.298 133 I C -0.292 175.925 176.117 0.165 0.000 0.998 133 I CA -0.655 60.755 61.300 0.182 0.000 1.137 133 I CB 1.955 40.062 38.000 0.179 0.000 1.310 133 I HN 0.623 nan 8.210 nan 0.000 0.445 134 I N 0.907 121.526 120.570 0.082 0.000 2.603 134 I HA 0.564 4.734 4.170 -0.000 0.000 0.300 134 I C -0.593 175.536 176.117 0.020 0.000 1.017 134 I CA -0.711 60.643 61.300 0.091 0.000 1.098 134 I CB 1.754 39.779 38.000 0.042 0.000 1.279 134 I HN 0.361 nan 8.210 nan 0.000 0.437 135 D N 3.755 124.217 120.400 0.104 0.000 2.345 135 D HA 0.328 4.968 4.640 -0.000 0.000 0.247 135 D C -1.625 174.768 176.300 0.156 0.000 1.108 135 D CA 0.360 54.424 54.000 0.107 0.000 0.894 135 D CB 1.300 42.218 40.800 0.196 0.000 1.203 135 D HN 0.481 nan 8.370 nan 0.000 0.430 136 F N 1.629 121.572 119.950 -0.012 0.000 2.585 136 F HA 0.488 5.015 4.527 -0.000 0.000 0.319 136 F C -0.988 174.874 175.800 0.103 0.000 1.165 136 F CA -0.862 57.157 58.000 0.032 0.000 0.949 136 F CB 1.687 40.692 39.000 0.007 0.000 1.218 136 F HN 0.284 nan 8.300 nan 0.000 0.453 137 A N 7.664 130.350 122.820 -0.223 0.000 2.802 137 A HA 0.530 4.850 4.320 -0.000 0.000 0.344 137 A C -2.454 174.978 177.584 -0.254 0.000 1.215 137 A CA -1.147 50.824 52.037 -0.111 0.000 0.821 137 A CB -0.034 19.035 19.000 0.115 0.000 1.099 137 A HN 0.454 nan 8.150 nan 0.000 0.479 138 P HA 0.024 nan 4.420 nan 0.000 0.257 138 P C 0.569 177.820 177.300 -0.082 0.000 1.325 138 P CA 0.313 63.227 63.100 -0.311 0.000 0.850 138 P CB 0.109 31.648 31.700 -0.267 0.000 1.324 139 N N 0.896 119.545 118.700 -0.085 0.000 2.354 139 N HA -0.099 4.641 4.740 -0.000 0.000 0.179 139 N C 0.776 176.342 175.510 0.093 0.000 1.021 139 N CA 0.604 53.707 53.050 0.089 0.000 0.887 139 N CB -0.011 38.594 38.487 0.196 0.000 0.974 139 N HN 0.263 nan 8.380 nan 0.000 0.437 140 H N -4.614 114.522 119.070 0.109 0.000 2.918 140 H HA 0.282 4.838 4.556 -0.000 0.000 0.303 140 H C -0.128 175.337 175.328 0.228 0.000 1.380 140 H CA -0.086 56.034 56.048 0.120 0.000 1.134 140 H CB 0.696 30.502 29.762 0.074 0.000 1.842 140 H HN 0.035 nan 8.280 nan 0.000 0.533 141 T N -0.882 113.889 114.554 0.361 0.000 3.587 141 T HA 0.338 4.688 4.350 -0.000 0.000 0.221 141 T C 0.645 175.538 174.700 0.322 0.000 0.921 141 T CA 0.840 63.129 62.100 0.315 0.000 1.426 141 T CB -0.519 68.527 68.868 0.297 0.000 1.340 141 T HN 0.834 nan 8.240 nan 0.000 0.423 142 S N 0.764 116.534 115.700 0.116 0.000 2.705 142 S HA 0.671 5.141 4.470 -0.000 0.000 0.280 142 S C -3.361 171.071 174.600 -0.279 0.000 1.174 142 S CA -1.620 56.521 58.200 -0.099 0.000 0.823 142 S CB 1.032 64.155 63.200 -0.129 0.000 1.162 142 S HN 0.231 nan 8.310 nan 0.000 0.487 143 P HA 0.484 nan 4.420 nan 0.000 0.267 143 P C -1.011 176.212 177.300 -0.127 0.000 1.209 143 P CA 0.280 63.224 63.100 -0.259 0.000 0.763 143 P CB 0.418 31.956 31.700 -0.270 0.000 0.816 144 A N 2.548 125.344 122.820 -0.040 0.000 2.556 144 A HA 0.740 5.060 4.320 -0.000 0.000 0.294 144 A C -0.920 176.713 177.584 0.083 0.000 1.091 144 A CA -0.542 51.504 52.037 0.014 0.000 0.704 144 A CB 1.634 20.455 19.000 -0.298 0.000 1.300 144 A HN 0.327 nan 8.150 nan 0.000 0.406 145 S N -0.120 115.707 115.700 0.211 0.000 2.756 145 S HA 0.423 4.893 4.470 -0.000 0.000 0.303 145 S C 1.017 175.743 174.600 0.210 0.000 1.135 145 S CA 0.205 58.476 58.200 0.118 0.000 1.066 145 S CB 0.987 64.166 63.200 -0.036 0.000 1.008 145 S HN 1.777 nan 8.310 nan 0.000 0.482 146 S N 2.839 118.722 115.700 0.306 0.000 2.442 146 S HA -0.131 4.339 4.470 -0.000 0.000 0.236 146 S C 1.096 175.724 174.600 0.046 0.000 1.007 146 S CA 1.481 59.780 58.200 0.165 0.000 0.965 146 S CB -0.291 62.907 63.200 -0.004 0.000 0.773 146 S HN 0.848 nan 8.310 nan 0.000 0.504 147 D N -0.600 119.825 120.400 0.041 0.000 2.398 147 D HA 0.126 4.766 4.640 -0.000 0.000 0.210 147 D C 0.674 176.983 176.300 0.014 0.000 1.094 147 D CA 0.027 54.032 54.000 0.008 0.000 0.839 147 D CB -0.158 40.636 40.800 -0.010 0.000 0.963 147 D HN 0.388 nan 8.370 nan 0.000 0.506 148 Q N 0.614 120.436 119.800 0.038 0.000 2.831 148 Q HA 0.320 4.660 4.340 -0.000 0.000 0.366 148 Q C -2.204 173.859 176.000 0.105 0.000 0.899 148 Q CA -1.909 53.926 55.803 0.052 0.000 0.987 148 Q CB 1.536 30.290 28.738 0.026 0.000 1.382 148 Q HN -0.053 nan 8.270 nan 0.000 0.403 149 P HA -0.179 nan 4.420 nan 0.000 0.220 149 P C 0.570 177.913 177.300 0.071 0.000 1.144 149 P CA 1.344 64.487 63.100 0.072 0.000 0.800 149 P CB 0.212 31.935 31.700 0.038 0.000 0.772 150 S N -2.098 113.647 115.700 0.075 0.000 2.561 150 S HA -0.033 4.437 4.470 -0.000 0.000 0.225 150 S C 0.483 175.133 174.600 0.083 0.000 0.977 150 S CA -0.276 57.960 58.200 0.061 0.000 0.926 150 S CB -1.099 62.131 63.200 0.050 0.000 0.769 150 S HN 0.068 nan 8.310 nan 0.000 0.533 151 F N 3.521 123.449 119.950 -0.036 0.000 2.467 151 F HA 0.564 5.091 4.527 -0.000 0.000 0.362 151 F C 0.967 176.719 175.800 -0.080 0.000 1.090 151 F CA -0.493 57.469 58.000 -0.063 0.000 1.202 151 F CB -0.098 38.862 39.000 -0.068 0.000 1.113 151 F HN 0.368 nan 8.300 nan 0.000 0.541 152 A N 4.877 127.191 122.820 -0.844 0.000 5.395 152 A HA -0.347 3.973 4.320 -0.000 0.000 0.324 152 A C 1.068 178.458 177.584 -0.323 0.000 1.813 152 A CA 1.598 53.203 52.037 -0.721 0.000 0.714 152 A CB -1.496 16.844 19.000 -1.100 0.000 1.374 152 A HN 0.810 nan 8.150 nan 0.000 0.390 153 E N 1.045 121.091 120.200 -0.256 0.000 2.569 153 E HA 0.224 4.573 4.350 -0.000 0.000 0.205 153 E C 0.407 176.974 176.600 -0.055 0.000 1.006 153 E CA 0.378 56.728 56.400 -0.083 0.000 0.985 153 E CB -0.047 29.653 29.700 -0.000 0.000 1.060 153 E HN 0.669 nan 8.360 nan 0.000 0.460 154 N N 0.695 119.339 118.700 -0.094 0.000 2.693 154 N HA -0.246 4.494 4.740 -0.000 0.000 0.249 154 N C 0.713 176.174 175.510 -0.083 0.000 1.119 154 N CA 0.393 53.424 53.050 -0.032 0.000 0.717 154 N CB -0.808 37.688 38.487 0.015 0.000 1.071 154 N HN 0.541 nan 8.380 nan 0.000 0.555 155 G N 0.139 108.856 108.800 -0.138 0.000 2.203 155 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.263 155 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.263 155 G C 0.192 175.072 174.900 -0.033 0.000 1.012 155 G CA 0.742 45.739 45.100 -0.172 0.000 0.749 155 G HN 0.646 nan 8.290 nan 0.000 0.512 156 R N -0.947 119.571 120.500 0.029 0.000 2.583 156 R HA 0.275 4.615 4.340 -0.000 0.000 0.274 156 R C 0.139 176.515 176.300 0.126 0.000 0.998 156 R CA -0.032 56.107 56.100 0.064 0.000 1.081 156 R CB 0.377 30.695 30.300 0.029 0.000 0.940 156 R HN 0.279 nan 8.270 nan 0.000 0.413 157 L N 4.577 125.821 121.223 0.036 0.000 2.313 157 L HA 0.375 4.715 4.340 -0.000 0.000 0.283 157 L C -1.498 175.266 176.870 -0.177 0.000 1.013 157 L CA -0.434 54.435 54.840 0.048 0.000 0.816 157 L CB 1.024 43.099 42.059 0.026 0.000 1.236 157 L HN 0.393 nan 8.230 nan 0.000 0.419 158 Y N 2.157 122.496 120.300 0.065 0.000 2.509 158 Y HA 0.474 5.024 4.550 -0.000 0.000 0.341 158 Y C -0.312 175.665 175.900 0.129 0.000 1.038 158 Y CA -0.766 57.379 58.100 0.074 0.000 1.089 158 Y CB 1.623 40.147 38.460 0.107 0.000 1.241 158 Y HN 0.531 nan 8.280 nan 0.000 0.468 159 D N 2.529 123.102 120.400 0.288 0.000 2.462 159 D HA 0.121 4.761 4.640 -0.000 0.000 0.249 159 D C -0.379 176.115 176.300 0.323 0.000 1.117 159 D CA -0.328 53.911 54.000 0.398 0.000 0.900 159 D CB -0.234 40.736 40.800 0.282 0.000 1.039 159 D HN 0.594 nan 8.370 nan 0.000 0.516 160 N N 3.301 122.195 118.700 0.323 0.000 2.714 160 N HA -0.227 4.513 4.740 -0.000 0.000 0.253 160 N C 0.962 176.575 175.510 0.172 0.000 1.024 160 N CA 1.875 55.050 53.050 0.209 0.000 0.726 160 N CB -1.154 37.428 38.487 0.158 0.000 0.908 160 N HN 0.819 nan 8.380 nan 0.000 0.542 161 G N -2.288 106.629 108.800 0.195 0.000 2.258 161 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.233 161 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.233 161 G C 0.211 175.275 174.900 0.274 0.000 1.006 161 G CA 0.422 45.615 45.100 0.156 0.000 0.620 161 G HN 0.752 nan 8.290 nan 0.000 0.511 162 T N 2.787 117.500 114.554 0.265 0.000 2.743 162 T HA 0.533 4.882 4.350 -0.000 0.000 0.293 162 T C 0.511 175.316 174.700 0.175 0.000 0.945 162 T CA -0.431 61.794 62.100 0.209 0.000 1.030 162 T CB 1.707 70.652 68.868 0.128 0.000 0.912 162 T HN 0.360 nan 8.240 nan 0.000 0.483 163 L N 5.475 126.748 121.223 0.083 0.000 2.597 163 L HA 0.103 4.443 4.340 -0.000 0.000 0.271 163 L C 0.961 177.716 176.870 -0.192 0.000 1.157 163 L CA 0.177 54.853 54.840 -0.273 0.000 0.928 163 L CB 0.144 42.064 42.059 -0.232 0.000 1.216 163 L HN 0.803 nan 8.230 nan 0.000 0.481 164 L N 4.954 126.030 121.223 -0.244 0.000 2.127 164 L HA 0.211 4.551 4.340 -0.000 0.000 0.203 164 L C 1.008 177.788 176.870 -0.150 0.000 1.080 164 L CA 0.797 55.528 54.840 -0.182 0.000 0.768 164 L CB -0.112 41.795 42.059 -0.254 0.000 0.924 164 L HN 0.811 nan 8.230 nan 0.000 0.444 165 G N -1.769 106.942 108.800 -0.149 0.000 2.325 165 G HA2 0.421 4.381 3.960 -0.000 0.000 0.297 165 G HA3 0.421 4.381 3.960 -0.000 0.000 0.297 165 G C -1.421 173.541 174.900 0.103 0.000 1.448 165 G CA -0.202 44.883 45.100 -0.025 0.000 0.838 165 G HN 0.172 nan 8.290 nan 0.000 0.579 166 G N -1.843 107.048 108.800 0.152 0.000 2.816 166 G HA2 0.520 4.480 3.960 -0.000 0.000 0.288 166 G HA3 0.520 4.480 3.960 -0.000 0.000 0.288 166 G C 0.235 175.190 174.900 0.091 0.000 1.334 166 G CA -0.313 44.857 45.100 0.117 0.000 0.978 166 G HN 0.649 nan 8.290 nan 0.000 0.493 167 Y N 0.349 120.458 120.300 -0.318 0.000 2.200 167 Y HA 0.062 4.612 4.550 -0.000 0.000 0.290 167 Y C 1.994 177.876 175.900 -0.031 0.000 1.137 167 Y CA 1.369 59.255 58.100 -0.356 0.000 1.163 167 Y CB -0.106 38.103 38.460 -0.419 0.000 0.988 167 Y HN 0.309 nan 8.280 nan 0.000 0.518 168 T N 1.892 116.432 114.554 -0.024 0.000 2.851 168 T HA 0.069 4.419 4.350 -0.000 0.000 0.298 168 T C 0.052 174.709 174.700 -0.072 0.000 0.977 168 T CA 0.083 62.144 62.100 -0.066 0.000 1.126 168 T CB 0.216 69.079 68.868 -0.010 0.000 0.916 168 T HN 0.410 nan 8.240 nan 0.000 0.529 169 N N 2.331 120.959 118.700 -0.119 0.000 2.714 169 N HA -0.178 4.562 4.740 -0.000 0.000 0.253 169 N C -0.819 174.646 175.510 -0.074 0.000 1.024 169 N CA 0.380 53.367 53.050 -0.103 0.000 0.726 169 N CB -0.879 37.569 38.487 -0.065 0.000 0.908 169 N HN 0.681 nan 8.380 nan 0.000 0.542 170 D N -0.586 119.758 120.400 -0.093 0.000 2.551 170 D HA 0.180 4.820 4.640 -0.000 0.000 0.223 170 D C 1.389 177.668 176.300 -0.036 0.000 1.144 170 D CA 0.473 54.488 54.000 0.025 0.000 1.025 170 D CB -0.031 40.910 40.800 0.234 0.000 1.085 170 D HN 0.399 nan 8.370 nan 0.000 0.506 171 T N -0.181 114.348 114.554 -0.042 0.000 2.985 171 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 171 T C 1.679 176.357 174.700 -0.036 0.000 1.076 171 T CA 0.660 62.728 62.100 -0.053 0.000 1.135 171 T CB -0.100 68.739 68.868 -0.048 0.000 0.890 171 T HN 0.306 nan 8.240 nan 0.000 0.480 172 Q N 0.795 120.579 119.800 -0.027 0.000 2.297 172 Q HA 0.089 4.429 4.340 -0.000 0.000 0.204 172 Q C 0.070 176.043 176.000 -0.045 0.000 0.962 172 Q CA 0.203 55.982 55.803 -0.041 0.000 0.879 172 Q CB -0.050 28.654 28.738 -0.058 0.000 0.947 172 Q HN 0.533 nan 8.270 nan 0.000 0.462 173 N N -1.005 117.690 118.700 -0.010 0.000 2.780 173 N HA -0.171 4.568 4.740 -0.000 0.000 0.247 173 N C -0.097 175.352 175.510 -0.102 0.000 1.076 173 N CA 0.129 53.189 53.050 0.016 0.000 0.688 173 N CB -1.075 37.415 38.487 0.004 0.000 0.957 173 N HN 0.222 nan 8.380 nan 0.000 0.551 174 L N -1.588 119.513 121.223 -0.203 0.000 2.291 174 L HA 0.085 4.425 4.340 -0.000 0.000 0.214 174 L C 0.545 176.933 176.870 -0.804 0.000 1.120 174 L CA 0.924 55.425 54.840 -0.565 0.000 0.799 174 L CB -0.153 41.411 42.059 -0.825 0.000 0.925 174 L HN 0.161 nan 8.230 nan 0.000 0.446 175 F N -2.556 117.302 119.950 -0.152 0.000 2.631 175 F HA 0.397 4.924 4.527 -0.000 0.000 0.350 175 F C 0.341 175.921 175.800 -0.367 0.000 1.080 175 F CA -0.999 56.850 58.000 -0.252 0.000 1.026 175 F CB 0.641 39.616 39.000 -0.042 0.000 1.347 175 F HN -0.254 nan 8.300 nan 0.000 0.501 176 H N -0.535 118.514 119.070 -0.035 0.000 2.472 176 H HA 0.358 4.914 4.556 -0.000 0.000 0.335 176 H C -0.697 174.422 175.328 -0.349 0.000 1.136 176 H CA -0.529 55.449 56.048 -0.117 0.000 1.264 176 H CB 0.842 30.592 29.762 -0.020 0.000 1.486 176 H HN 0.446 nan 8.280 nan 0.000 0.517 177 H N 2.528 121.723 119.070 0.208 0.000 2.624 177 H HA 0.137 4.693 4.556 -0.000 0.000 0.233 177 H C -0.167 175.183 175.328 0.037 0.000 1.376 177 H CA -0.251 55.850 56.048 0.089 0.000 1.137 177 H CB 0.231 29.966 29.762 -0.044 0.000 1.867 177 H HN 0.652 nan 8.280 nan 0.000 0.547 178 N N 0.824 119.570 118.700 0.077 0.000 2.204 178 N HA 0.159 4.899 4.740 -0.000 0.000 0.219 178 N C 1.210 176.705 175.510 -0.025 0.000 1.151 178 N CA 0.659 53.704 53.050 -0.007 0.000 0.867 178 N CB 2.091 40.532 38.487 -0.077 0.000 1.043 178 N HN 0.674 nan 8.380 nan 0.000 0.516 179 G N -0.123 108.682 108.800 0.007 0.000 2.545 179 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.216 179 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.216 179 G C -0.230 174.628 174.900 -0.071 0.000 1.314 179 G CA -0.524 44.562 45.100 -0.024 0.000 0.906 179 G HN 0.416 nan 8.290 nan 0.000 0.563 180 G N -1.016 107.720 108.800 -0.107 0.000 2.420 180 G HA2 0.707 4.667 3.960 -0.000 0.000 0.331 180 G HA3 0.707 4.667 3.960 -0.000 0.000 0.331 180 G C 0.039 174.798 174.900 -0.236 0.000 1.168 180 G CA 0.996 45.990 45.100 -0.176 0.000 0.936 180 G HN 1.293 nan 8.290 nan 0.000 0.479 181 T N -0.535 113.791 114.554 -0.380 0.000 2.898 181 T HA 0.252 4.602 4.350 -0.000 0.000 0.301 181 T C 0.807 175.205 174.700 -0.503 0.000 1.049 181 T CA 0.109 61.923 62.100 -0.477 0.000 1.095 181 T CB 0.809 69.248 68.868 -0.716 0.000 0.976 181 T HN 0.599 nan 8.240 nan 0.000 0.539 182 D N 2.202 122.406 120.400 -0.327 0.000 2.440 182 D HA 0.066 4.706 4.640 -0.000 0.000 0.216 182 D C 0.573 176.899 176.300 0.043 0.000 1.150 182 D CA -0.375 53.554 54.000 -0.119 0.000 0.832 182 D CB -0.626 40.148 40.800 -0.043 0.000 0.992 182 D HN 0.604 nan 8.370 nan 0.000 0.502 183 F N 0.452 120.346 119.950 -0.094 0.000 2.973 183 F HA -0.336 4.191 4.527 -0.000 0.000 0.299 183 F C 2.037 177.808 175.800 -0.049 0.000 0.737 183 F CA 0.729 58.687 58.000 -0.071 0.000 1.151 183 F CB -2.494 36.462 39.000 -0.073 0.000 1.440 183 F HN 0.175 nan 8.300 nan 0.000 0.367 184 S N -0.949 114.785 115.700 0.057 0.000 2.370 184 S HA -0.055 4.415 4.470 -0.000 0.000 0.226 184 S C 1.049 175.663 174.600 0.023 0.000 1.033 184 S CA 1.449 59.670 58.200 0.034 0.000 1.011 184 S CB -0.285 62.913 63.200 -0.003 0.000 0.852 184 S HN 0.716 nan 8.310 nan 0.000 0.457 185 T N -3.632 110.916 114.554 -0.010 0.000 2.887 185 T HA 0.538 4.888 4.350 -0.000 0.000 0.292 185 T C 0.700 175.376 174.700 -0.039 0.000 1.087 185 T CA -0.176 61.914 62.100 -0.016 0.000 1.009 185 T CB 1.261 70.099 68.868 -0.049 0.000 1.203 185 T HN -0.029 nan 8.240 nan 0.000 0.518 186 T N 0.344 114.884 114.554 -0.023 0.000 2.746 186 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 186 T C 1.665 176.242 174.700 -0.205 0.000 1.039 186 T CA 1.816 63.886 62.100 -0.051 0.000 1.142 186 T CB -0.404 68.533 68.868 0.114 0.000 0.866 186 T HN 0.839 nan 8.240 nan 0.000 0.444 187 E N 1.302 121.296 120.200 -0.343 0.000 2.077 187 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 187 E C 2.298 178.772 176.600 -0.210 0.000 0.989 187 E CA 0.967 57.042 56.400 -0.543 0.000 0.800 187 E CB -0.178 29.046 29.700 -0.793 0.000 0.746 187 E HN 0.367 nan 8.360 nan 0.000 0.452 188 N N 0.131 118.727 118.700 -0.173 0.000 2.166 188 N HA -0.113 4.627 4.740 -0.000 0.000 0.186 188 N C 1.850 177.252 175.510 -0.180 0.000 1.019 188 N CA 1.439 54.404 53.050 -0.142 0.000 0.856 188 N CB -0.220 38.190 38.487 -0.129 0.000 0.993 188 N HN 0.266 nan 8.380 nan 0.000 0.426 189 G N 0.122 108.819 108.800 -0.172 0.000 2.650 189 G HA2 0.022 3.982 3.960 -0.000 0.000 0.214 189 G HA3 0.022 3.982 3.960 -0.000 0.000 0.214 189 G C 1.639 176.500 174.900 -0.066 0.000 1.136 189 G CA 0.014 45.033 45.100 -0.134 0.000 0.789 189 G HN 0.293 nan 8.290 nan 0.000 0.536 190 I N -1.245 119.192 120.570 -0.222 0.000 2.512 190 I HA 0.080 4.250 4.170 -0.000 0.000 0.247 190 I C 1.502 177.309 176.117 -0.516 0.000 1.094 190 I CA 0.463 61.524 61.300 -0.398 0.000 1.427 190 I CB 0.135 37.748 38.000 -0.645 0.000 1.149 190 I HN 0.073 nan 8.210 nan 0.000 0.438 191 Y N 1.518 121.691 120.300 -0.211 0.000 2.471 191 Y HA 0.225 4.775 4.550 -0.000 0.000 0.286 191 Y C 0.573 176.218 175.900 -0.425 0.000 1.188 191 Y CA 0.033 57.888 58.100 -0.409 0.000 1.286 191 Y CB -0.211 38.028 38.460 -0.367 0.000 1.072 191 Y HN -0.044 nan 8.280 nan 0.000 0.517 192 K N 0.246 120.534 120.400 -0.185 0.000 2.400 192 K HA 0.302 4.622 4.320 -0.000 0.000 0.246 192 K C -0.769 175.719 176.600 -0.187 0.000 0.995 192 K CA -1.218 54.968 56.287 -0.168 0.000 0.840 192 K CB 1.204 33.591 32.500 -0.188 0.000 1.293 192 K HN -0.098 nan 8.250 nan 0.000 0.445 193 N N 1.329 119.926 118.700 -0.171 0.000 2.479 193 N HA 0.070 4.810 4.740 -0.000 0.000 0.257 193 N C -0.356 174.934 175.510 -0.367 0.000 1.232 193 N CA 0.067 52.988 53.050 -0.216 0.000 0.920 193 N CB 0.430 38.804 38.487 -0.190 0.000 1.105 193 N HN 0.368 nan 8.380 nan 0.000 0.444 194 L N 4.115 125.086 121.223 -0.421 0.000 2.268 194 L HA 0.130 4.470 4.340 -0.000 0.000 0.289 194 L C -0.085 176.493 176.870 -0.487 0.000 1.064 194 L CA -0.183 54.255 54.840 -0.670 0.000 0.824 194 L CB -0.370 41.307 42.059 -0.638 0.000 1.202 194 L HN 0.546 nan 8.230 nan 0.000 0.433 195 Y N 1.440 121.607 120.300 -0.221 0.000 2.887 195 Y HA -0.412 4.138 4.550 -0.000 0.000 0.467 195 Y C 1.304 177.098 175.900 -0.177 0.000 1.191 195 Y CA 1.095 59.096 58.100 -0.165 0.000 2.537 195 Y CB -1.066 37.308 38.460 -0.143 0.000 1.225 195 Y HN 0.808 nan 8.280 nan 0.000 0.630 196 D N 0.816 121.238 120.400 0.036 0.000 2.402 196 D HA 0.256 4.895 4.640 -0.000 0.000 0.216 196 D C -0.207 176.001 176.300 -0.154 0.000 1.128 196 D CA 0.053 54.012 54.000 -0.068 0.000 0.833 196 D CB -0.631 40.165 40.800 -0.007 0.000 0.971 196 D HN 0.407 nan 8.370 nan 0.000 0.503 197 L N 1.242 122.362 121.223 -0.171 0.000 2.410 197 L HA 0.365 4.705 4.340 -0.000 0.000 0.273 197 L C 0.741 177.454 176.870 -0.261 0.000 1.144 197 L CA -0.847 53.856 54.840 -0.228 0.000 0.863 197 L CB 0.712 42.570 42.059 -0.335 0.000 1.140 197 L HN 0.026 nan 8.230 nan 0.000 0.463 198 A N 2.937 125.559 122.820 -0.328 0.000 2.505 198 A HA 0.008 4.328 4.320 -0.000 0.000 0.271 198 A C -0.013 177.551 177.584 -0.033 0.000 1.112 198 A CA -0.217 51.533 52.037 -0.478 0.000 0.781 198 A CB -0.333 18.241 19.000 -0.710 0.000 1.059 198 A HN 0.735 nan 8.150 nan 0.000 0.508 199 D N 2.573 122.970 120.400 -0.005 0.000 2.343 199 D HA 0.348 4.988 4.640 -0.000 0.000 0.255 199 D C 0.051 176.398 176.300 0.078 0.000 1.187 199 D CA 0.182 54.239 54.000 0.095 0.000 0.875 199 D CB 0.339 41.210 40.800 0.117 0.000 1.136 199 D HN 0.483 nan 8.370 nan 0.000 0.469 200 L N 3.558 124.728 121.223 -0.089 0.000 2.426 200 L HA 0.138 4.478 4.340 -0.000 0.000 0.271 200 L C 0.650 177.030 176.870 -0.817 0.000 1.169 200 L CA -0.327 54.232 54.840 -0.469 0.000 0.836 200 L CB 0.445 42.136 42.059 -0.613 0.000 1.112 200 L HN 0.430 nan 8.230 nan 0.000 0.465 201 N N 1.269 119.454 118.700 -0.858 0.000 2.558 201 N HA 0.094 4.834 4.740 -0.000 0.000 0.233 201 N C 0.510 175.637 175.510 -0.639 0.000 1.038 201 N CA -0.216 52.340 53.050 -0.823 0.000 0.934 201 N CB 0.362 38.477 38.487 -0.619 0.000 1.175 201 N HN 0.421 nan 8.380 nan 0.000 0.512 202 H N 1.189 119.983 119.070 -0.459 0.000 2.561 202 H HA 0.001 4.557 4.556 -0.000 0.000 0.278 202 H C 1.076 176.220 175.328 -0.308 0.000 1.014 202 H CA 0.660 56.327 56.048 -0.635 0.000 1.211 202 H CB 0.191 29.132 29.762 -1.369 0.000 1.365 202 H HN 0.551 nan 8.280 nan 0.000 0.594 203 N N 0.626 119.298 118.700 -0.048 0.000 2.398 203 N HA -0.106 4.634 4.740 -0.000 0.000 0.188 203 N C -0.002 175.517 175.510 0.014 0.000 1.122 203 N CA -0.081 53.005 53.050 0.060 0.000 0.866 203 N CB 0.154 38.716 38.487 0.126 0.000 0.970 203 N HN 0.166 nan 8.380 nan 0.000 0.462 204 N N 0.153 118.812 118.700 -0.069 0.000 2.422 204 N HA 0.062 4.802 4.740 -0.000 0.000 0.264 204 N C 0.143 175.639 175.510 -0.024 0.000 1.063 204 N CA 0.114 53.121 53.050 -0.071 0.000 0.959 204 N CB 1.250 39.643 38.487 -0.157 0.000 1.087 204 N HN 0.009 nan 8.380 nan 0.000 0.483 205 S N 2.380 118.091 115.700 0.018 0.000 2.387 205 S HA -0.140 4.330 4.470 -0.000 0.000 0.230 205 S C 1.579 176.213 174.600 0.057 0.000 1.035 205 S CA 1.711 59.946 58.200 0.059 0.000 1.014 205 S CB -0.078 63.155 63.200 0.055 0.000 0.836 205 S HN 0.719 nan 8.310 nan 0.000 0.466 206 T N 1.722 116.283 114.554 0.010 0.000 2.708 206 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 206 T C 1.913 176.630 174.700 0.028 0.000 1.037 206 T CA 1.335 63.440 62.100 0.009 0.000 1.146 206 T CB -0.378 68.458 68.868 -0.053 0.000 0.865 206 T HN 0.208 nan 8.240 nan 0.000 0.435 207 V N 1.674 121.556 119.914 -0.053 0.000 2.358 207 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 207 V C 2.365 178.524 176.094 0.108 0.000 1.047 207 V CA 1.989 64.249 62.300 -0.068 0.000 1.035 207 V CB -0.635 31.010 31.823 -0.297 0.000 0.658 207 V HN 0.512 nan 8.190 nan 0.000 0.452 208 D N 0.249 120.732 120.400 0.139 0.000 2.092 208 D HA -0.173 4.467 4.640 -0.000 0.000 0.193 208 D C 1.982 178.500 176.300 0.363 0.000 0.994 208 D CA 1.879 56.098 54.000 0.366 0.000 0.828 208 D CB -0.148 40.873 40.800 0.368 0.000 0.963 208 D HN 0.194 nan 8.370 nan 0.000 0.450 209 V N -0.132 119.926 119.914 0.241 0.000 2.427 209 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 209 V C 2.124 178.342 176.094 0.207 0.000 1.051 209 V CA 1.779 64.193 62.300 0.191 0.000 1.048 209 V CB -0.925 30.979 31.823 0.134 0.000 0.666 209 V HN 0.340 nan 8.190 nan 0.000 0.456 210 Y N 0.772 121.136 120.300 0.106 0.000 2.097 210 Y HA -0.246 4.304 4.550 -0.000 0.000 0.282 210 Y C 2.193 178.185 175.900 0.153 0.000 1.152 210 Y CA 1.821 59.983 58.100 0.102 0.000 1.136 210 Y CB -0.300 38.195 38.460 0.059 0.000 0.975 210 Y HN 0.152 nan 8.280 nan 0.000 0.498 211 L N 0.049 121.392 121.223 0.200 0.000 2.083 211 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 211 L C 2.400 179.467 176.870 0.329 0.000 1.083 211 L CA 1.694 56.662 54.840 0.213 0.000 0.752 211 L CB -0.498 41.808 42.059 0.412 0.000 0.899 211 L HN 0.143 nan 8.230 nan 0.000 0.433 212 K N -0.395 120.185 120.400 0.299 0.000 2.148 212 K HA -0.141 4.179 4.320 -0.000 0.000 0.204 212 K C 1.637 178.230 176.600 -0.012 0.000 1.050 212 K CA 1.072 57.434 56.287 0.125 0.000 0.942 212 K CB -0.031 32.511 32.500 0.070 0.000 0.724 212 K HN 0.209 nan 8.250 nan 0.000 0.446 213 D N 0.540 120.933 120.400 -0.012 0.000 2.123 213 D HA -0.059 4.580 4.640 -0.000 0.000 0.200 213 D C 1.850 178.107 176.300 -0.072 0.000 0.976 213 D CA 1.115 55.072 54.000 -0.071 0.000 0.831 213 D CB -0.139 40.631 40.800 -0.050 0.000 0.974 213 D HN 0.142 nan 8.370 nan 0.000 0.469 214 A N 0.916 123.693 122.820 -0.071 0.000 1.883 214 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 214 A C 2.228 179.948 177.584 0.226 0.000 1.186 214 A CA 1.167 53.240 52.037 0.060 0.000 0.624 214 A CB -0.772 18.284 19.000 0.093 0.000 0.822 214 A HN 0.236 nan 8.150 nan 0.000 0.444 215 I N -0.577 120.097 120.570 0.173 0.000 2.361 215 I HA -0.161 4.009 4.170 -0.000 0.000 0.251 215 I C 2.022 178.162 176.117 0.037 0.000 1.133 215 I CA 1.634 62.960 61.300 0.045 0.000 1.413 215 I CB -0.275 37.640 38.000 -0.141 0.000 1.073 215 I HN 0.219 nan 8.210 nan 0.000 0.424 216 K N -0.385 119.990 120.400 -0.042 0.000 2.148 216 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 216 K C 2.114 178.707 176.600 -0.012 0.000 1.050 216 K CA 1.677 57.927 56.287 -0.061 0.000 0.942 216 K CB -0.293 32.029 32.500 -0.295 0.000 0.724 216 K HN 0.426 nan 8.250 nan 0.000 0.446 217 M N -0.821 118.715 119.600 -0.105 0.000 2.086 217 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 217 M C 1.238 177.351 176.300 -0.313 0.000 1.067 217 M CA 1.780 56.919 55.300 -0.269 0.000 1.116 217 M CB -0.178 32.134 32.600 -0.479 0.000 1.348 217 M HN 0.179 nan 8.290 nan 0.000 0.407 218 W N 0.638 121.931 121.300 -0.011 0.000 2.402 218 W HA -0.029 4.631 4.660 -0.000 0.000 0.286 218 W C 2.039 178.585 176.519 0.046 0.000 1.221 218 W CA 0.638 57.974 57.345 -0.015 0.000 1.257 218 W CB -0.480 28.945 29.460 -0.058 0.000 1.120 218 W HN 0.205 nan 8.180 nan 0.000 0.551 219 L N -0.008 121.345 121.223 0.217 0.000 2.046 219 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 219 L C 1.922 178.881 176.870 0.148 0.000 1.077 219 L CA 1.226 56.174 54.840 0.180 0.000 0.747 219 L CB -0.744 41.432 42.059 0.195 0.000 0.896 219 L HN -0.092 nan 8.230 nan 0.000 0.432 220 D N 0.022 120.500 120.400 0.130 0.000 2.263 220 D HA -0.117 4.522 4.640 -0.000 0.000 0.208 220 D C 2.195 178.540 176.300 0.074 0.000 0.971 220 D CA 1.017 55.069 54.000 0.087 0.000 0.867 220 D CB 0.003 40.842 40.800 0.065 0.000 0.929 220 D HN 0.305 nan 8.370 nan 0.000 0.492 221 L N -0.737 120.546 121.223 0.100 0.000 2.552 221 L HA 0.117 4.457 4.340 -0.000 0.000 0.227 221 L C 1.481 178.478 176.870 0.211 0.000 1.146 221 L CA 0.561 55.499 54.840 0.163 0.000 0.858 221 L CB 0.081 42.269 42.059 0.216 0.000 0.969 221 L HN 0.148 nan 8.230 nan 0.000 0.451 222 G N 0.686 109.601 108.800 0.192 0.000 2.148 222 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.203 222 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.203 222 G C 0.404 175.431 174.900 0.211 0.000 0.993 222 G CA 0.014 45.219 45.100 0.176 0.000 0.661 222 G HN 0.374 nan 8.290 nan 0.000 0.518 223 I N -2.041 118.679 120.570 0.251 0.000 2.892 223 I HA 0.387 4.557 4.170 -0.000 0.000 0.287 223 I C 0.642 176.905 176.117 0.244 0.000 1.205 223 I CA 0.268 61.715 61.300 0.245 0.000 1.409 223 I CB 0.550 38.715 38.000 0.276 0.000 1.367 223 I HN -0.050 nan 8.210 nan 0.000 0.597 224 D N 3.268 123.840 120.400 0.286 0.000 2.417 224 D HA 0.260 4.900 4.640 -0.000 0.000 0.207 224 D C 0.635 177.182 176.300 0.411 0.000 1.075 224 D CA 0.399 54.612 54.000 0.355 0.000 0.851 224 D CB 1.194 42.246 40.800 0.420 0.000 0.976 224 D HN 0.849 nan 8.370 nan 0.000 0.505 225 G N 0.380 109.336 108.800 0.260 0.000 2.576 225 G HA2 0.573 4.533 3.960 -0.000 0.000 0.290 225 G HA3 0.573 4.533 3.960 -0.000 0.000 0.290 225 G C -1.775 173.110 174.900 -0.025 0.000 1.442 225 G CA -0.677 44.490 45.100 0.113 0.000 0.792 225 G HN -0.012 nan 8.290 nan 0.000 0.491 226 I N 0.275 120.739 120.570 -0.177 0.000 2.533 226 I HA 0.505 4.675 4.170 -0.000 0.000 0.290 226 I C -0.114 175.590 176.117 -0.689 0.000 1.056 226 I CA -0.815 60.315 61.300 -0.283 0.000 1.057 226 I CB 2.522 40.426 38.000 -0.160 0.000 1.240 226 I HN 0.271 nan 8.210 nan 0.000 0.423 227 R N 6.927 126.969 120.500 -0.762 0.000 2.246 227 R HA 0.505 4.845 4.340 -0.000 0.000 0.332 227 R C -1.120 174.928 176.300 -0.420 0.000 0.974 227 R CA -0.676 54.746 56.100 -1.130 0.000 0.837 227 R CB 1.023 30.501 30.300 -1.370 0.000 1.145 227 R HN 0.573 nan 8.270 nan 0.000 0.467 228 M N 3.321 122.744 119.600 -0.294 0.000 2.108 228 M HA 0.107 4.587 4.480 -0.000 0.000 0.354 228 M C -0.295 176.035 176.300 0.050 0.000 1.229 228 M CA -0.404 54.886 55.300 -0.017 0.000 1.081 228 M CB 1.048 33.672 32.600 0.040 0.000 1.606 228 M HN 0.510 nan 8.290 nan 0.000 0.467 229 D N 2.554 123.026 120.400 0.120 0.000 2.302 229 D HA 0.464 5.104 4.640 -0.000 0.000 0.248 229 D C 0.378 176.763 176.300 0.142 0.000 1.094 229 D CA 0.224 54.325 54.000 0.169 0.000 0.897 229 D CB 0.882 41.830 40.800 0.247 0.000 1.200 229 D HN 0.839 nan 8.370 nan 0.000 0.429 230 A N 2.426 125.338 122.820 0.153 0.000 2.687 230 A HA -0.180 4.140 4.320 -0.000 0.000 0.299 230 A C 1.455 179.083 177.584 0.073 0.000 1.497 230 A CA 0.940 53.081 52.037 0.174 0.000 0.751 230 A CB -2.396 16.746 19.000 0.237 0.000 1.048 230 A HN 1.113 nan 8.150 nan 0.000 0.464 231 V N -1.582 118.327 119.914 -0.009 0.000 2.759 231 V HA -0.123 3.997 4.120 -0.000 0.000 0.256 231 V C 1.903 177.804 176.094 -0.321 0.000 1.080 231 V CA 2.493 64.743 62.300 -0.083 0.000 1.101 231 V CB -0.564 31.235 31.823 -0.040 0.000 0.698 231 V HN 0.754 nan 8.190 nan 0.000 0.477 232 K N -0.633 119.363 120.400 -0.674 0.000 2.504 232 K HA -0.090 4.230 4.320 -0.000 0.000 0.195 232 K C 1.383 177.446 176.600 -0.894 0.000 1.036 232 K CA 0.974 56.528 56.287 -1.222 0.000 0.984 232 K CB -0.158 31.238 32.500 -1.841 0.000 0.788 232 K HN 0.711 nan 8.250 nan 0.000 0.488 233 H N -0.560 118.366 119.070 -0.239 0.000 2.542 233 H HA 0.261 4.817 4.556 -0.000 0.000 0.283 233 H C -0.114 175.111 175.328 -0.171 0.000 1.059 233 H CA 0.014 55.941 56.048 -0.203 0.000 1.162 233 H CB 0.263 29.930 29.762 -0.159 0.000 1.539 233 H HN 0.145 nan 8.280 nan 0.000 0.543 234 M N 0.729 120.296 119.600 -0.055 0.000 2.644 234 M HA 0.373 4.853 4.480 -0.000 0.000 0.304 234 M C -2.608 173.643 176.300 -0.081 0.000 1.215 234 M CA -1.922 53.346 55.300 -0.054 0.000 0.871 234 M CB 2.797 35.393 32.600 -0.007 0.000 1.740 234 M HN -0.234 nan 8.290 nan 0.000 0.464 235 P HA 0.026 nan 4.420 nan 0.000 0.267 235 P C -0.128 177.291 177.300 0.198 0.000 1.205 235 P CA 0.069 63.120 63.100 -0.082 0.000 0.765 235 P CB 0.215 31.965 31.700 0.084 0.000 0.828 236 F N 2.005 122.079 119.950 0.206 0.000 2.186 236 F HA -0.043 4.484 4.527 -0.000 0.000 0.299 236 F C 2.449 178.373 175.800 0.207 0.000 1.090 236 F CA 1.508 59.706 58.000 0.330 0.000 1.307 236 F CB -2.100 37.161 39.000 0.435 0.000 1.019 236 F HN 0.360 nan 8.300 nan 0.000 0.489 237 G N -1.183 107.774 108.800 0.262 0.000 2.418 237 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.217 237 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.217 237 G C 1.584 176.607 174.900 0.205 0.000 1.158 237 G CA 0.571 45.784 45.100 0.189 0.000 0.771 237 G HN 0.475 nan 8.290 nan 0.000 0.545 238 W N 1.381 122.743 121.300 0.104 0.000 2.358 238 W HA -0.061 4.599 4.660 -0.000 0.000 0.303 238 W C 2.809 179.402 176.519 0.123 0.000 1.208 238 W CA 1.643 59.047 57.345 0.098 0.000 1.274 238 W CB -0.056 29.435 29.460 0.051 0.000 1.138 238 W HN 0.278 nan 8.180 nan 0.000 0.515 239 Q N 0.216 120.126 119.800 0.184 0.000 2.124 239 Q HA -0.270 4.070 4.340 -0.000 0.000 0.202 239 Q C 2.196 178.174 176.000 -0.037 0.000 0.977 239 Q CA 1.900 57.737 55.803 0.056 0.000 0.850 239 Q CB -0.485 28.472 28.738 0.365 0.000 0.901 239 Q HN 0.350 nan 8.270 nan 0.000 0.429 240 K N 0.766 121.162 120.400 -0.007 0.000 2.057 240 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 240 K C 2.311 178.845 176.600 -0.110 0.000 1.049 240 K CA 1.575 57.826 56.287 -0.060 0.000 0.931 240 K CB -0.082 32.403 32.500 -0.026 0.000 0.714 240 K HN 0.191 nan 8.250 nan 0.000 0.440 241 S N -0.123 115.483 115.700 -0.157 0.000 2.402 241 S HA -0.164 4.306 4.470 -0.000 0.000 0.229 241 S C 1.875 176.299 174.600 -0.295 0.000 1.021 241 S CA 0.738 58.819 58.200 -0.197 0.000 0.974 241 S CB -0.555 62.541 63.200 -0.174 0.000 0.800 241 S HN 0.446 nan 8.310 nan 0.000 0.484 242 F N 1.565 121.136 119.950 -0.631 0.000 2.163 242 F HA 0.176 4.703 4.527 -0.000 0.000 0.297 242 F C 2.371 177.989 175.800 -0.304 0.000 1.094 242 F CA 1.279 58.916 58.000 -0.605 0.000 1.290 242 F CB -0.215 38.217 39.000 -0.947 0.000 1.017 242 F HN 0.128 nan 8.300 nan 0.000 0.483 243 M N 0.104 119.630 119.600 -0.123 0.000 2.229 243 M HA -0.077 4.403 4.480 -0.000 0.000 0.264 243 M C 2.430 178.623 176.300 -0.178 0.000 1.063 243 M CA 1.408 56.629 55.300 -0.132 0.000 1.114 243 M CB -1.411 31.155 32.600 -0.056 0.000 1.387 243 M HN 0.332 nan 8.290 nan 0.000 0.420 244 A N -0.162 122.558 122.820 -0.166 0.000 1.930 244 A HA 0.031 4.351 4.320 -0.000 0.000 0.217 244 A C 2.349 179.846 177.584 -0.145 0.000 1.175 244 A CA 1.746 53.706 52.037 -0.128 0.000 0.627 244 A CB -0.734 18.206 19.000 -0.100 0.000 0.815 244 A HN 0.471 nan 8.150 nan 0.000 0.443 245 A N -0.553 122.129 122.820 -0.231 0.000 1.902 245 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 245 A C 2.229 179.685 177.584 -0.213 0.000 1.181 245 A CA 1.784 53.678 52.037 -0.239 0.000 0.623 245 A CB -0.802 17.992 19.000 -0.343 0.000 0.818 245 A HN 0.343 nan 8.150 nan 0.000 0.443 246 V N 0.771 120.501 119.914 -0.307 0.000 2.283 246 V HA -0.214 3.906 4.120 -0.000 0.000 0.243 246 V C 2.256 178.319 176.094 -0.051 0.000 1.039 246 V CA 2.109 64.296 62.300 -0.189 0.000 1.016 246 V CB -0.942 30.720 31.823 -0.268 0.000 0.650 246 V HN 0.532 nan 8.190 nan 0.000 0.449 247 N N 0.926 119.586 118.700 -0.067 0.000 2.223 247 N HA -0.118 4.622 4.740 -0.000 0.000 0.185 247 N C 1.469 176.982 175.510 0.006 0.000 1.016 247 N CA 1.127 54.166 53.050 -0.018 0.000 0.863 247 N CB -0.528 37.945 38.487 -0.024 0.000 0.983 247 N HN 0.422 nan 8.380 nan 0.000 0.429 248 N N -0.497 118.206 118.700 0.005 0.000 2.461 248 N HA -0.065 4.675 4.740 -0.000 0.000 0.188 248 N C 0.807 176.373 175.510 0.093 0.000 1.134 248 N CA 0.221 53.289 53.050 0.030 0.000 0.878 248 N CB 0.150 38.642 38.487 0.009 0.000 0.972 248 N HN 0.382 nan 8.380 nan 0.000 0.456 249 Y N 0.452 120.715 120.300 -0.061 0.000 2.808 249 Y HA 0.363 4.913 4.550 -0.000 0.000 0.244 249 Y C -0.331 175.549 175.900 -0.033 0.000 1.033 249 Y CA 0.513 58.581 58.100 -0.053 0.000 1.415 249 Y CB 0.635 39.049 38.460 -0.077 0.000 1.420 249 Y HN -0.318 nan 8.280 nan 0.000 0.484 250 K N 1.954 122.227 120.400 -0.212 0.000 2.803 250 K HA 0.301 4.621 4.320 -0.000 0.000 0.229 250 K C -2.925 173.641 176.600 -0.057 0.000 1.084 250 K CA -2.153 53.984 56.287 -0.250 0.000 1.063 250 K CB 1.638 33.903 32.500 -0.391 0.000 1.254 250 K HN 0.017 nan 8.250 nan 0.000 0.551 251 P HA -0.001 nan 4.420 nan 0.000 0.268 251 P C -0.539 176.805 177.300 0.074 0.000 1.204 251 P CA -0.306 62.813 63.100 0.031 0.000 0.768 251 P CB 0.887 32.618 31.700 0.052 0.000 0.842 252 V N 0.400 120.374 119.914 0.100 0.000 3.049 252 V HA 0.510 4.630 4.120 -0.000 0.000 0.309 252 V C -0.572 175.653 176.094 0.218 0.000 1.148 252 V CA -1.387 61.020 62.300 0.180 0.000 0.990 252 V CB 1.732 33.648 31.823 0.156 0.000 1.039 252 V HN 0.315 nan 8.190 nan 0.000 0.430 253 F N 2.534 122.583 119.950 0.165 0.000 2.590 253 F HA 0.549 5.076 4.527 -0.000 0.000 0.389 253 F C 0.473 176.290 175.800 0.028 0.000 1.049 253 F CA 0.982 59.057 58.000 0.124 0.000 1.199 253 F CB 0.260 39.342 39.000 0.136 0.000 1.058 253 F HN 0.781 nan 8.300 nan 0.000 0.556 254 T N 8.142 122.414 114.554 -0.470 0.000 2.861 254 T HA 0.601 4.951 4.350 -0.000 0.000 0.287 254 T C -1.177 173.249 174.700 -0.457 0.000 1.003 254 T CA -0.304 61.551 62.100 -0.407 0.000 0.977 254 T CB 0.950 69.711 68.868 -0.178 0.000 0.996 254 T HN 0.400 nan 8.240 nan 0.000 0.448 255 F N -0.369 119.314 119.950 -0.445 0.000 2.578 255 F HA 0.882 5.409 4.527 -0.000 0.000 0.311 255 F C -0.019 175.718 175.800 -0.104 0.000 1.094 255 F CA -1.311 56.511 58.000 -0.297 0.000 0.923 255 F CB 1.061 39.859 39.000 -0.337 0.000 1.230 255 F HN 0.706 nan 8.300 nan 0.000 0.450 256 G N 0.622 109.525 108.800 0.172 0.000 2.489 256 G HA2 0.469 4.429 3.960 -0.000 0.000 0.327 256 G HA3 0.469 4.429 3.960 -0.000 0.000 0.327 256 G C -1.780 173.288 174.900 0.280 0.000 1.189 256 G CA -0.818 44.386 45.100 0.172 0.000 0.962 256 G HN 0.857 nan 8.290 nan 0.000 0.486 257 E N 0.574 120.923 120.200 0.248 0.000 2.081 257 E HA 0.133 4.483 4.350 -0.000 0.000 0.281 257 E C -1.307 175.457 176.600 0.273 0.000 0.986 257 E CA -0.739 55.868 56.400 0.346 0.000 0.796 257 E CB 0.884 30.779 29.700 0.325 0.000 1.085 257 E HN 0.465 nan 8.360 nan 0.000 0.398 258 W N 8.159 129.519 121.300 0.099 0.000 2.485 258 W HA 0.230 4.890 4.660 -0.000 0.000 0.297 258 W C -1.579 174.771 176.519 -0.282 0.000 0.999 258 W CA -1.423 55.878 57.345 -0.073 0.000 1.512 258 W CB 0.143 29.549 29.460 -0.089 0.000 1.322 258 W HN 0.446 nan 8.180 nan 0.000 0.419 259 F N 5.692 125.414 119.950 -0.380 0.000 2.608 259 F HA 0.244 4.771 4.527 -0.000 0.000 0.380 259 F C -0.481 175.126 175.800 -0.320 0.000 1.083 259 F CA 0.805 58.303 58.000 -0.837 0.000 1.266 259 F CB 0.568 39.237 39.000 -0.552 0.000 1.076 259 F HN 0.156 nan 8.300 nan 0.000 0.574 260 L N 5.970 126.713 121.223 -0.799 0.000 2.385 260 L HA 0.538 4.878 4.340 -0.000 0.000 0.273 260 L C 0.475 177.183 176.870 -0.271 0.000 0.990 260 L CA -0.867 53.871 54.840 -0.170 0.000 0.821 260 L CB 1.710 43.791 42.059 0.035 0.000 1.279 260 L HN 0.756 nan 8.230 nan 0.000 0.412 261 G N 1.435 110.305 108.800 0.116 0.000 2.543 261 G HA2 0.470 4.430 3.960 -0.000 0.000 0.290 261 G HA3 0.470 4.430 3.960 -0.000 0.000 0.290 261 G C -0.175 174.790 174.900 0.108 0.000 1.310 261 G CA -0.588 44.635 45.100 0.206 0.000 1.025 261 G HN 0.295 nan 8.290 nan 0.000 0.502 262 V N 1.723 121.704 119.914 0.112 0.000 2.617 262 V HA 0.003 4.123 4.120 -0.000 0.000 0.304 262 V C 0.988 177.121 176.094 0.064 0.000 1.040 262 V CA 0.323 62.668 62.300 0.075 0.000 1.149 262 V CB 0.592 32.453 31.823 0.064 0.000 0.914 262 V HN 0.908 nan 8.190 nan 0.000 0.487 263 N N 1.162 119.894 118.700 0.052 0.000 2.778 263 N HA -0.199 4.541 4.740 -0.000 0.000 0.249 263 N C 0.418 175.961 175.510 0.054 0.000 1.069 263 N CA 1.547 54.625 53.050 0.047 0.000 0.831 263 N CB -0.506 38.003 38.487 0.036 0.000 1.142 263 N HN 0.989 nan 8.380 nan 0.000 0.573 264 E N 0.789 121.028 120.200 0.066 0.000 2.259 264 E HA 0.381 4.731 4.350 -0.000 0.000 0.281 264 E C -0.792 175.843 176.600 0.058 0.000 1.027 264 E CA -0.325 56.115 56.400 0.067 0.000 0.838 264 E CB 0.957 30.710 29.700 0.088 0.000 1.066 264 E HN -0.015 nan 8.360 nan 0.000 0.401 265 V N 4.107 124.041 119.914 0.033 0.000 2.409 265 V HA 0.206 4.326 4.120 -0.000 0.000 0.290 265 V C -0.440 175.594 176.094 -0.100 0.000 1.017 265 V CA -0.620 61.681 62.300 0.001 0.000 0.841 265 V CB 1.574 33.424 31.823 0.045 0.000 1.003 265 V HN 0.616 nan 8.190 nan 0.000 0.426 266 S N 6.287 121.837 115.700 -0.250 0.000 2.437 266 S HA 0.562 5.032 4.470 -0.000 0.000 0.305 266 S C -1.831 172.347 174.600 -0.703 0.000 1.109 266 S CA -1.516 56.491 58.200 -0.321 0.000 1.099 266 S CB 2.014 65.110 63.200 -0.173 0.000 1.004 266 S HN 0.504 nan 8.310 nan 0.000 0.475 267 P HA 0.070 nan 4.420 nan 0.000 0.222 267 P C 0.891 178.056 177.300 -0.225 0.000 1.153 267 P CA 0.642 63.547 63.100 -0.325 0.000 0.798 267 P CB 0.240 31.892 31.700 -0.079 0.000 0.796 268 E N -0.515 119.590 120.200 -0.158 0.000 2.106 268 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 268 E C 1.916 178.244 176.600 -0.453 0.000 0.984 268 E CA 0.924 57.286 56.400 -0.064 0.000 0.806 268 E CB -0.421 29.419 29.700 0.234 0.000 0.750 268 E HN 0.261 nan 8.360 nan 0.000 0.458 269 N N -0.070 118.120 118.700 -0.850 0.000 2.120 269 N HA -0.186 4.554 4.740 -0.000 0.000 0.188 269 N C 1.683 176.928 175.510 -0.442 0.000 1.024 269 N CA 1.312 53.584 53.050 -1.297 0.000 0.852 269 N CB 0.004 37.788 38.487 -1.171 0.000 1.003 269 N HN 0.250 nan 8.380 nan 0.000 0.424 270 H N -0.351 118.528 119.070 -0.318 0.000 2.321 270 H HA -0.070 4.486 4.556 -0.000 0.000 0.300 270 H C 2.015 177.277 175.328 -0.111 0.000 1.087 270 H CA 1.053 56.948 56.048 -0.254 0.000 1.319 270 H CB 0.031 29.590 29.762 -0.338 0.000 1.379 270 H HN 0.182 nan 8.280 nan 0.000 0.501 271 K N 0.607 121.022 120.400 0.025 0.000 2.057 271 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 271 K C 2.024 178.641 176.600 0.029 0.000 1.049 271 K CA 1.271 57.579 56.287 0.034 0.000 0.931 271 K CB -0.155 32.379 32.500 0.056 0.000 0.714 271 K HN 0.157 nan 8.250 nan 0.000 0.440 272 F N 1.115 120.960 119.950 -0.175 0.000 2.134 272 F HA -0.160 4.367 4.527 -0.000 0.000 0.299 272 F C 2.001 177.763 175.800 -0.064 0.000 1.097 272 F CA 1.573 59.460 58.000 -0.187 0.000 1.264 272 F CB -0.333 38.448 39.000 -0.364 0.000 1.001 272 F HN 0.047 nan 8.300 nan 0.000 0.479 273 A N 0.145 123.072 122.820 0.179 0.000 1.969 273 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 273 A C 1.886 179.507 177.584 0.062 0.000 1.169 273 A CA 1.776 53.914 52.037 0.169 0.000 0.635 273 A CB -0.732 18.472 19.000 0.341 0.000 0.810 273 A HN 0.498 nan 8.150 nan 0.000 0.445 274 N N -0.383 118.348 118.700 0.051 0.000 2.416 274 N HA -0.014 4.725 4.740 -0.000 0.000 0.177 274 N C 1.108 176.593 175.510 -0.043 0.000 1.036 274 N CA 1.217 54.277 53.050 0.017 0.000 0.901 274 N CB 0.022 38.522 38.487 0.021 0.000 0.976 274 N HN 0.708 nan 8.380 nan 0.000 0.444 275 E N -0.999 119.144 120.200 -0.096 0.000 2.541 275 E HA 0.092 4.442 4.350 -0.000 0.000 0.219 275 E C 1.244 177.729 176.600 -0.191 0.000 0.922 275 E CA 0.024 56.356 56.400 -0.113 0.000 1.095 275 E CB 0.377 30.043 29.700 -0.056 0.000 1.112 275 E HN 0.202 nan 8.360 nan 0.000 0.516 276 S N -0.280 115.199 115.700 -0.369 0.000 2.489 276 S HA 0.102 4.572 4.470 -0.000 0.000 0.228 276 S C 1.772 176.201 174.600 -0.286 0.000 0.995 276 S CA 0.826 58.743 58.200 -0.472 0.000 0.934 276 S CB 0.251 62.746 63.200 -1.175 0.000 0.771 276 S HN 0.355 nan 8.310 nan 0.000 0.522 277 G N 1.236 109.907 108.800 -0.215 0.000 2.232 277 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.226 277 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.226 277 G C 0.023 174.857 174.900 -0.110 0.000 0.996 277 G CA 0.143 45.157 45.100 -0.142 0.000 0.626 277 G HN 0.912 nan 8.290 nan 0.000 0.509 278 M N 0.708 120.226 119.600 -0.137 0.000 2.724 278 M HA 0.840 5.319 4.480 -0.000 0.000 0.310 278 M C 0.473 176.760 176.300 -0.022 0.000 1.217 278 M CA -0.143 55.111 55.300 -0.076 0.000 0.894 278 M CB 2.099 34.687 32.600 -0.021 0.000 1.719 278 M HN 0.622 nan 8.290 nan 0.000 0.479 279 S N 1.619 117.311 115.700 -0.014 0.000 2.690 279 S HA 0.852 5.322 4.470 -0.000 0.000 0.285 279 S C -0.436 174.252 174.600 0.147 0.000 1.135 279 S CA -0.865 57.366 58.200 0.051 0.000 1.020 279 S CB 1.073 64.295 63.200 0.036 0.000 1.159 279 S HN 0.778 nan 8.310 nan 0.000 0.534 280 L N -0.374 120.927 121.223 0.130 0.000 2.303 280 L HA 0.522 4.862 4.340 -0.000 0.000 0.256 280 L C -0.919 176.071 176.870 0.201 0.000 1.034 280 L CA -1.089 53.887 54.840 0.227 0.000 0.832 280 L CB 1.569 43.779 42.059 0.251 0.000 1.403 280 L HN 0.579 nan 8.230 nan 0.000 0.419 281 L N 1.299 122.728 121.223 0.344 0.000 2.410 281 L HA 0.094 4.434 4.340 -0.000 0.000 0.273 281 L C 0.086 177.187 176.870 0.385 0.000 1.144 281 L CA -0.018 55.029 54.840 0.345 0.000 0.863 281 L CB 0.293 42.594 42.059 0.403 0.000 1.140 281 L HN 0.476 nan 8.230 nan 0.000 0.463 282 D N 3.272 123.809 120.400 0.227 0.000 2.541 282 D HA -0.014 4.626 4.640 -0.000 0.000 0.231 282 D C 0.918 177.255 176.300 0.062 0.000 1.163 282 D CA 0.272 54.331 54.000 0.100 0.000 1.077 282 D CB 0.151 40.898 40.800 -0.088 0.000 1.110 282 D HN 0.295 nan 8.370 nan 0.000 0.499 283 F N 1.007 121.060 119.950 0.171 0.000 2.234 283 F HA -0.043 4.484 4.527 -0.000 0.000 0.299 283 F C 2.546 178.347 175.800 0.001 0.000 1.087 283 F CA 0.586 58.623 58.000 0.062 0.000 1.340 283 F CB 0.081 39.097 39.000 0.026 0.000 1.031 283 F HN 0.240 nan 8.300 nan 0.000 0.500 284 R N -0.486 120.164 120.500 0.250 0.000 2.073 284 R HA -0.201 4.139 4.340 -0.000 0.000 0.234 284 R C 2.321 178.708 176.300 0.144 0.000 1.134 284 R CA 1.693 57.912 56.100 0.197 0.000 0.952 284 R CB -0.869 29.591 30.300 0.267 0.000 0.850 284 R HN 0.313 nan 8.270 nan 0.000 0.433 285 F N 0.986 120.928 119.950 -0.013 0.000 2.075 285 F HA -0.193 4.334 4.527 -0.000 0.000 0.297 285 F C 2.228 177.952 175.800 -0.128 0.000 1.113 285 F CA 1.674 59.646 58.000 -0.047 0.000 1.218 285 F CB -0.480 38.469 39.000 -0.085 0.000 0.984 285 F HN 0.046 nan 8.300 nan 0.000 0.472 286 A N 0.177 122.956 122.820 -0.067 0.000 1.865 286 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 286 A C 2.150 179.653 177.584 -0.136 0.000 1.191 286 A CA 1.749 53.601 52.037 -0.309 0.000 0.623 286 A CB -0.904 17.436 19.000 -1.099 0.000 0.826 286 A HN 0.531 nan 8.150 nan 0.000 0.444 287 Q N -0.481 119.276 119.800 -0.072 0.000 2.096 287 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 287 Q C 2.076 178.068 176.000 -0.012 0.000 0.982 287 Q CA 1.979 57.784 55.803 0.003 0.000 0.850 287 Q CB -0.383 28.381 28.738 0.043 0.000 0.901 287 Q HN 0.650 nan 8.270 nan 0.000 0.422 288 K N 0.643 121.013 120.400 -0.050 0.000 2.097 288 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 288 K C 1.968 178.506 176.600 -0.103 0.000 1.050 288 K CA 0.716 56.955 56.287 -0.080 0.000 0.938 288 K CB -0.301 32.140 32.500 -0.098 0.000 0.718 288 K HN -0.019 nan 8.250 nan 0.000 0.442 289 V N 1.039 120.871 119.914 -0.137 0.000 2.490 289 V HA -0.206 3.914 4.120 -0.000 0.000 0.250 289 V C 2.277 178.503 176.094 0.220 0.000 1.061 289 V CA 1.931 64.224 62.300 -0.012 0.000 1.064 289 V CB -0.421 31.348 31.823 -0.090 0.000 0.670 289 V HN 0.311 nan 8.190 nan 0.000 0.461 290 R N -0.726 119.873 120.500 0.165 0.000 2.090 290 R HA -0.108 4.232 4.340 -0.000 0.000 0.228 290 R C 2.411 178.737 176.300 0.043 0.000 1.110 290 R CA 1.163 57.364 56.100 0.168 0.000 0.973 290 R CB -0.255 30.102 30.300 0.096 0.000 0.869 290 R HN 0.569 nan 8.270 nan 0.000 0.440 291 Q N 0.028 119.832 119.800 0.007 0.000 2.084 291 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 291 Q C 2.123 178.083 176.000 -0.067 0.000 0.978 291 Q CA 1.515 57.298 55.803 -0.032 0.000 0.844 291 Q CB 0.139 28.855 28.738 -0.037 0.000 0.898 291 Q HN 0.189 nan 8.270 nan 0.000 0.426 292 V N -0.647 119.203 119.914 -0.107 0.000 2.346 292 V HA -0.149 3.971 4.120 -0.000 0.000 0.244 292 V C 1.470 177.368 176.094 -0.326 0.000 1.037 292 V CA 1.554 63.687 62.300 -0.278 0.000 1.029 292 V CB -0.280 31.253 31.823 -0.482 0.000 0.663 292 V HN 0.247 nan 8.190 nan 0.000 0.454 293 F N -0.941 119.008 119.950 -0.002 0.000 2.714 293 F HA 0.261 4.788 4.527 -0.000 0.000 0.294 293 F C 2.308 178.177 175.800 0.115 0.000 1.120 293 F CA 0.480 58.535 58.000 0.093 0.000 1.398 293 F CB 0.064 39.179 39.000 0.192 0.000 1.120 293 F HN -0.110 nan 8.300 nan 0.000 0.589 294 R N 0.306 120.891 120.500 0.141 0.000 2.064 294 R HA 0.026 4.366 4.340 -0.000 0.000 0.210 294 R C 1.030 177.250 176.300 -0.132 0.000 1.221 294 R CA 0.977 56.965 56.100 -0.186 0.000 1.055 294 R CB -0.060 29.815 30.300 -0.709 0.000 0.946 294 R HN 0.022 nan 8.270 nan 0.000 0.459 295 D N 0.670 121.005 120.400 -0.108 0.000 2.349 295 D HA 0.018 4.658 4.640 -0.000 0.000 0.215 295 D C -0.393 175.874 176.300 -0.054 0.000 1.016 295 D CA 0.271 54.224 54.000 -0.079 0.000 0.870 295 D CB -0.123 40.636 40.800 -0.068 0.000 0.917 295 D HN 0.307 nan 8.370 nan 0.000 0.524 296 N N 0.015 118.683 118.700 -0.054 0.000 2.727 296 N HA -0.180 4.560 4.740 -0.000 0.000 0.249 296 N C 0.287 175.768 175.510 -0.049 0.000 1.048 296 N CA 0.968 53.984 53.050 -0.057 0.000 0.714 296 N CB -1.603 36.858 38.487 -0.043 0.000 0.959 296 N HN 0.265 nan 8.380 nan 0.000 0.544 297 T N -4.902 109.623 114.554 -0.047 0.000 3.105 297 T HA 0.234 4.584 4.350 -0.000 0.000 0.253 297 T C 0.021 174.700 174.700 -0.035 0.000 1.047 297 T CA -0.094 61.985 62.100 -0.034 0.000 0.944 297 T CB 0.694 69.547 68.868 -0.025 0.000 1.016 297 T HN 0.263 nan 8.240 nan 0.000 0.544 298 D N 0.845 121.213 120.400 -0.053 0.000 2.622 298 D HA 0.366 5.006 4.640 -0.000 0.000 0.255 298 D C -1.383 174.869 176.300 -0.081 0.000 1.246 298 D CA -0.515 53.455 54.000 -0.050 0.000 0.795 298 D CB 1.875 42.645 40.800 -0.049 0.000 1.369 298 D HN 0.285 nan 8.370 nan 0.000 0.425 299 N N 0.031 118.698 118.700 -0.054 0.000 2.989 299 N HA 0.264 5.004 4.740 -0.000 0.000 0.338 299 N C 0.972 176.406 175.510 -0.128 0.000 1.369 299 N CA -0.488 52.512 53.050 -0.083 0.000 0.794 299 N CB 0.139 38.631 38.487 0.010 0.000 1.359 299 N HN 0.200 nan 8.380 nan 0.000 0.609 300 M N -0.830 118.655 119.600 -0.193 0.000 2.267 300 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 300 M C 1.118 177.248 176.300 -0.284 0.000 1.063 300 M CA 1.509 56.638 55.300 -0.286 0.000 1.090 300 M CB -1.373 31.034 32.600 -0.322 0.000 1.392 300 M HN 0.525 nan 8.290 nan 0.000 0.422 301 Y N -0.221 120.044 120.300 -0.059 0.000 2.314 301 Y HA -0.012 4.538 4.550 -0.000 0.000 0.293 301 Y C 2.597 178.472 175.900 -0.042 0.000 1.129 301 Y CA 1.291 59.367 58.100 -0.040 0.000 1.201 301 Y CB -1.099 37.338 38.460 -0.038 0.000 0.999 301 Y HN 0.301 nan 8.280 nan 0.000 0.541 302 G N -0.547 108.297 108.800 0.073 0.000 2.421 302 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 302 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 302 G C 1.569 176.451 174.900 -0.029 0.000 1.143 302 G CA 0.593 45.704 45.100 0.018 0.000 0.784 302 G HN 0.286 nan 8.290 nan 0.000 0.541 303 L N 0.752 121.923 121.223 -0.087 0.000 2.056 303 L HA 0.144 4.484 4.340 -0.000 0.000 0.207 303 L C 2.676 179.524 176.870 -0.035 0.000 1.078 303 L CA 2.075 56.846 54.840 -0.114 0.000 0.749 303 L CB -0.456 41.468 42.059 -0.224 0.000 0.901 303 L HN 0.239 nan 8.230 nan 0.000 0.433 304 K N -0.735 119.650 120.400 -0.025 0.000 2.057 304 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 304 K C 1.952 178.576 176.600 0.041 0.000 1.049 304 K CA 1.378 57.675 56.287 0.017 0.000 0.931 304 K CB -0.191 32.318 32.500 0.015 0.000 0.714 304 K HN 0.381 nan 8.250 nan 0.000 0.440 305 A N 1.624 124.471 122.820 0.044 0.000 1.933 305 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 305 A C 2.135 179.747 177.584 0.047 0.000 1.175 305 A CA 1.538 53.604 52.037 0.048 0.000 0.628 305 A CB -0.548 18.481 19.000 0.049 0.000 0.814 305 A HN 0.480 nan 8.150 nan 0.000 0.444 306 M N -0.249 119.376 119.600 0.042 0.000 2.132 306 M HA -0.053 4.426 4.480 -0.000 0.000 0.263 306 M C 1.910 178.266 176.300 0.094 0.000 1.065 306 M CA 1.617 56.955 55.300 0.063 0.000 1.122 306 M CB -0.762 31.859 32.600 0.035 0.000 1.365 306 M HN 0.430 nan 8.290 nan 0.000 0.411 307 L N 0.255 121.529 121.223 0.085 0.000 2.027 307 L HA -0.213 4.127 4.340 -0.000 0.000 0.206 307 L C 2.529 179.448 176.870 0.081 0.000 1.074 307 L CA 1.271 56.170 54.840 0.100 0.000 0.745 307 L CB -0.742 41.361 42.059 0.075 0.000 0.898 307 L HN 0.309 nan 8.230 nan 0.000 0.433 308 E N 0.084 120.322 120.200 0.063 0.000 2.106 308 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 308 E C 2.168 178.791 176.600 0.038 0.000 0.984 308 E CA 1.287 57.718 56.400 0.051 0.000 0.806 308 E CB -0.409 29.318 29.700 0.046 0.000 0.750 308 E HN 0.524 nan 8.360 nan 0.000 0.458 309 G N 2.247 111.069 108.800 0.037 0.000 2.453 309 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.215 309 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.215 309 G C 1.869 176.760 174.900 -0.015 0.000 1.201 309 G CA 1.819 46.925 45.100 0.009 0.000 0.784 309 G HN 0.417 nan 8.290 nan 0.000 0.545 310 S N 1.506 117.238 115.700 0.053 0.000 2.374 310 S HA -0.010 4.460 4.470 -0.000 0.000 0.227 310 S C 2.579 177.254 174.600 0.125 0.000 1.037 310 S CA 1.746 60.021 58.200 0.125 0.000 1.024 310 S CB -0.653 62.727 63.200 0.301 0.000 0.861 310 S HN 0.708 nan 8.310 nan 0.000 0.456 311 A N 1.493 124.368 122.820 0.092 0.000 2.070 311 A HA 0.333 4.653 4.320 -0.000 0.000 0.220 311 A C 2.373 179.971 177.584 0.023 0.000 1.159 311 A CA 1.657 53.737 52.037 0.072 0.000 0.656 311 A CB -1.097 17.940 19.000 0.062 0.000 0.800 311 A HN 0.907 nan 8.150 nan 0.000 0.453 312 A N -0.664 122.143 122.820 -0.022 0.000 1.956 312 A HA 0.064 4.384 4.320 -0.000 0.000 0.212 312 A C 1.657 179.155 177.584 -0.143 0.000 1.188 312 A CA 1.222 53.222 52.037 -0.061 0.000 0.675 312 A CB -0.131 18.837 19.000 -0.052 0.000 0.845 312 A HN 0.364 nan 8.150 nan 0.000 0.455 313 D N -1.266 118.965 120.400 -0.281 0.000 2.194 313 D HA 0.028 4.668 4.640 -0.000 0.000 0.204 313 D C -0.411 175.526 176.300 -0.605 0.000 0.964 313 D CA 0.856 54.498 54.000 -0.595 0.000 0.846 313 D CB -0.122 39.959 40.800 -1.199 0.000 0.962 313 D HN 0.449 nan 8.370 nan 0.000 0.490 314 Y N 0.120 120.299 120.300 -0.201 0.000 2.326 314 Y HA 0.443 4.993 4.550 -0.000 0.000 0.337 314 Y C 1.209 177.066 175.900 -0.072 0.000 1.023 314 Y CA -0.870 57.165 58.100 -0.108 0.000 1.143 314 Y CB 1.610 40.036 38.460 -0.057 0.000 1.183 314 Y HN -0.181 nan 8.280 nan 0.000 0.485 315 A N 2.737 125.608 122.820 0.084 0.000 1.972 315 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 315 A C 0.710 178.299 177.584 0.009 0.000 1.169 315 A CA 1.192 53.237 52.037 0.013 0.000 0.635 315 A CB -0.201 18.797 19.000 -0.005 0.000 0.810 315 A HN 0.794 nan 8.150 nan 0.000 0.446 316 Q N -1.097 118.746 119.800 0.071 0.000 2.907 316 Q HA 0.402 4.742 4.340 -0.000 0.000 0.262 316 Q C 0.400 176.451 176.000 0.085 0.000 0.997 316 Q CA -0.160 55.681 55.803 0.063 0.000 0.797 316 Q CB 1.349 30.139 28.738 0.087 0.000 1.228 316 Q HN 0.121 nan 8.270 nan 0.000 0.466 317 V N 1.380 121.345 119.914 0.085 0.000 2.594 317 V HA -0.230 3.890 4.120 -0.000 0.000 0.253 317 V C 0.877 176.980 176.094 0.016 0.000 1.069 317 V CA 2.078 64.408 62.300 0.051 0.000 1.082 317 V CB 0.161 32.038 31.823 0.090 0.000 0.680 317 V HN 0.730 nan 8.190 nan 0.000 0.469 318 D N -0.464 119.984 120.400 0.079 0.000 2.378 318 D HA -0.077 4.563 4.640 -0.000 0.000 0.227 318 D C 1.000 177.382 176.300 0.135 0.000 1.012 318 D CA 0.668 54.727 54.000 0.100 0.000 0.905 318 D CB 0.070 40.980 40.800 0.185 0.000 0.895 318 D HN 0.500 nan 8.370 nan 0.000 0.532 319 D N 0.258 120.756 120.400 0.163 0.000 2.379 319 D HA -0.000 4.640 4.640 -0.000 0.000 0.208 319 D C 0.535 176.930 176.300 0.160 0.000 1.065 319 D CA 0.172 54.342 54.000 0.282 0.000 0.848 319 D CB 0.526 41.546 40.800 0.368 0.000 0.949 319 D HN 0.057 nan 8.370 nan 0.000 0.509 320 Q N 0.734 120.518 119.800 -0.028 0.000 2.332 320 Q HA 0.191 4.531 4.340 -0.000 0.000 0.263 320 Q C -0.013 175.903 176.000 -0.140 0.000 0.979 320 Q CA -0.168 55.554 55.803 -0.136 0.000 0.885 320 Q CB 1.719 30.265 28.738 -0.321 0.000 1.218 320 Q HN -0.106 nan 8.270 nan 0.000 0.405 321 V N 3.418 123.246 119.914 -0.143 0.000 2.368 321 V HA 0.192 4.311 4.120 -0.000 0.000 0.266 321 V C 0.635 176.698 176.094 -0.052 0.000 1.045 321 V CA -0.488 61.697 62.300 -0.191 0.000 0.899 321 V CB 0.578 32.111 31.823 -0.484 0.000 1.006 321 V HN 0.870 nan 8.190 nan 0.000 0.470 322 T N 2.982 117.433 114.554 -0.172 0.000 2.899 322 T HA 0.824 5.174 4.350 -0.000 0.000 0.284 322 T C -0.609 174.149 174.700 0.096 0.000 1.004 322 T CA -0.419 61.518 62.100 -0.271 0.000 1.043 322 T CB 1.422 69.770 68.868 -0.867 0.000 1.013 322 T HN 0.719 nan 8.240 nan 0.000 0.518 323 F N -0.566 119.353 119.950 -0.052 0.000 2.807 323 F HA 0.528 5.055 4.527 -0.000 0.000 0.316 323 F C -0.035 175.832 175.800 0.112 0.000 1.162 323 F CA -1.373 56.642 58.000 0.024 0.000 0.910 323 F CB 0.738 39.739 39.000 0.002 0.000 1.314 323 F HN 0.594 nan 8.300 nan 0.000 0.454 324 I N -1.260 119.426 120.570 0.193 0.000 4.288 324 I HA 0.443 4.613 4.170 -0.000 0.000 0.331 324 I C -0.941 175.366 176.117 0.317 0.000 1.322 324 I CA 0.185 61.569 61.300 0.139 0.000 1.149 324 I CB 0.646 38.608 38.000 -0.062 0.000 1.112 324 I HN 0.697 nan 8.210 nan 0.000 0.403 325 D N 0.915 121.558 120.400 0.406 0.000 2.764 325 D HA 0.354 4.994 4.640 -0.000 0.000 0.293 325 D C -1.196 175.160 176.300 0.093 0.000 1.287 325 D CA -0.560 53.624 54.000 0.307 0.000 0.768 325 D CB 0.714 41.673 40.800 0.264 0.000 1.288 325 D HN 0.336 nan 8.370 nan 0.000 0.426 326 N N -2.662 115.895 118.700 -0.239 0.000 3.378 326 N HA 0.160 4.900 4.740 -0.000 0.000 0.294 326 N C 0.549 175.528 175.510 -0.885 0.000 1.544 326 N CA -0.507 52.102 53.050 -0.735 0.000 0.872 326 N CB -0.183 38.031 38.487 -0.455 0.000 1.670 326 N HN 0.554 nan 8.380 nan 0.000 0.551 327 H N -1.814 116.795 119.070 -0.768 0.000 2.567 327 H HA 0.160 4.716 4.556 -0.000 0.000 0.276 327 H C -0.765 174.527 175.328 -0.060 0.000 1.016 327 H CA 0.796 56.659 56.048 -0.307 0.000 1.186 327 H CB -0.304 29.516 29.762 0.096 0.000 1.351 327 H HN 0.521 nan 8.280 nan 0.000 0.605 328 D N 0.315 120.504 120.400 -0.351 0.000 2.501 328 D HA 0.263 4.903 4.640 -0.000 0.000 0.224 328 D C 0.243 176.557 176.300 0.023 0.000 1.202 328 D CA 0.030 53.952 54.000 -0.130 0.000 0.829 328 D CB 0.797 41.529 40.800 -0.115 0.000 1.023 328 D HN 0.342 nan 8.370 nan 0.000 0.499 329 M N 0.051 119.658 119.600 0.010 0.000 2.631 329 M HA 0.283 4.763 4.480 -0.000 0.000 0.288 329 M C -0.239 176.096 176.300 0.059 0.000 1.260 329 M CA -0.792 54.561 55.300 0.089 0.000 0.842 329 M CB 2.858 35.550 32.600 0.154 0.000 1.743 329 M HN -0.318 nan 8.290 nan 0.000 0.461 330 E N 1.521 121.762 120.200 0.069 0.000 2.398 330 E HA 0.142 4.492 4.350 -0.000 0.000 0.263 330 E C -0.620 176.034 176.600 0.090 0.000 1.046 330 E CA -0.105 56.329 56.400 0.057 0.000 0.908 330 E CB 0.689 30.408 29.700 0.031 0.000 0.963 330 E HN 0.370 nan 8.360 nan 0.000 0.431 331 R N 1.947 122.511 120.500 0.107 0.000 2.623 331 R HA -0.040 4.300 4.340 -0.000 0.000 0.271 331 R C 0.951 177.367 176.300 0.193 0.000 1.043 331 R CA -0.116 56.089 56.100 0.174 0.000 1.083 331 R CB 0.218 30.619 30.300 0.167 0.000 0.974 331 R HN 0.613 nan 8.270 nan 0.000 0.436 332 F N 1.819 121.847 119.950 0.129 0.000 2.091 332 F HA -0.224 4.303 4.527 -0.000 0.000 0.299 332 F C 1.330 177.224 175.800 0.157 0.000 1.103 332 F CA 1.704 59.783 58.000 0.131 0.000 1.228 332 F CB -0.248 38.833 39.000 0.135 0.000 0.984 332 F HN 0.537 nan 8.300 nan 0.000 0.477 333 H N 0.524 119.791 119.070 0.328 0.000 2.819 333 H HA 0.487 5.043 4.556 -0.000 0.000 0.303 333 H C -0.430 174.964 175.328 0.110 0.000 1.058 333 H CA -0.497 55.695 56.048 0.240 0.000 1.471 333 H CB 0.436 30.374 29.762 0.293 0.000 1.480 333 H HN 0.242 nan 8.280 nan 0.000 0.517 334 A N 3.462 126.033 122.820 -0.415 0.000 2.306 334 A HA 0.319 4.639 4.320 -0.000 0.000 0.314 334 A C 1.405 178.671 177.584 -0.531 0.000 1.164 334 A CA -0.075 51.761 52.037 -0.334 0.000 0.822 334 A CB 0.356 19.231 19.000 -0.209 0.000 1.130 334 A HN 0.964 nan 8.150 nan 0.000 0.496 335 S N 2.053 117.595 115.700 -0.263 0.000 2.407 335 S HA -0.261 4.209 4.470 -0.000 0.000 0.235 335 S C 1.193 175.724 174.600 -0.116 0.000 1.036 335 S CA 1.839 59.950 58.200 -0.148 0.000 1.013 335 S CB -0.527 62.642 63.200 -0.052 0.000 0.820 335 S HN 0.914 nan 8.310 nan 0.000 0.476 336 N N 2.235 120.860 118.700 -0.125 0.000 2.299 336 N HA 0.318 5.058 4.740 -0.000 0.000 0.187 336 N C 0.371 175.845 175.510 -0.060 0.000 1.099 336 N CA 0.483 53.493 53.050 -0.068 0.000 0.867 336 N CB -0.300 38.155 38.487 -0.054 0.000 0.974 336 N HN 0.538 nan 8.380 nan 0.000 0.477 337 A N 1.003 123.751 122.820 -0.119 0.000 2.313 337 A HA 0.234 4.554 4.320 -0.000 0.000 0.261 337 A C 0.285 177.922 177.584 0.088 0.000 1.090 337 A CA -0.508 51.507 52.037 -0.037 0.000 0.807 337 A CB 0.152 19.108 19.000 -0.073 0.000 1.055 337 A HN 0.276 nan 8.150 nan 0.000 0.492 338 N N -0.003 118.761 118.700 0.106 0.000 2.475 338 N HA 0.056 4.796 4.740 -0.000 0.000 0.267 338 N C 1.014 176.647 175.510 0.205 0.000 1.169 338 N CA 0.064 53.188 53.050 0.124 0.000 0.947 338 N CB 0.585 39.128 38.487 0.092 0.000 1.061 338 N HN 0.600 nan 8.380 nan 0.000 0.466 339 R N 2.103 122.693 120.500 0.151 0.000 2.152 339 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 339 R C 1.528 177.925 176.300 0.160 0.000 1.117 339 R CA 1.003 57.162 56.100 0.098 0.000 0.981 339 R CB -0.016 30.155 30.300 -0.214 0.000 0.870 339 R HN 0.478 nan 8.270 nan 0.000 0.451 340 R N 1.729 122.306 120.500 0.127 0.000 2.159 340 R HA -0.114 4.226 4.340 -0.000 0.000 0.237 340 R C 1.432 177.832 176.300 0.167 0.000 1.131 340 R CA 1.562 57.738 56.100 0.127 0.000 0.982 340 R CB -0.103 30.258 30.300 0.101 0.000 0.868 340 R HN 0.126 nan 8.270 nan 0.000 0.453 341 K N -0.014 120.528 120.400 0.236 0.000 2.057 341 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 341 K C 2.066 178.866 176.600 0.333 0.000 1.049 341 K CA 1.607 58.092 56.287 0.331 0.000 0.931 341 K CB -0.366 32.363 32.500 0.383 0.000 0.714 341 K HN 0.276 nan 8.250 nan 0.000 0.440 342 L N 1.686 123.117 121.223 0.346 0.000 2.027 342 L HA -0.180 4.160 4.340 -0.000 0.000 0.206 342 L C 2.030 178.856 176.870 -0.075 0.000 1.074 342 L CA 1.545 56.451 54.840 0.109 0.000 0.745 342 L CB -0.118 42.096 42.059 0.260 0.000 0.898 342 L HN 0.126 nan 8.230 nan 0.000 0.433 343 E N -0.453 119.771 120.200 0.039 0.000 2.085 343 E HA -0.293 4.057 4.350 -0.000 0.000 0.194 343 E C 2.235 178.790 176.600 -0.076 0.000 0.994 343 E CA 1.748 58.145 56.400 -0.004 0.000 0.801 343 E CB -0.124 29.615 29.700 0.065 0.000 0.743 343 E HN 0.627 nan 8.360 nan 0.000 0.453 344 Q N -0.097 119.654 119.800 -0.082 0.000 2.079 344 Q HA -0.108 4.232 4.340 -0.000 0.000 0.200 344 Q C 2.325 178.066 176.000 -0.432 0.000 0.974 344 Q CA 1.165 56.869 55.803 -0.166 0.000 0.840 344 Q CB -0.149 28.556 28.738 -0.055 0.000 0.898 344 Q HN 0.269 nan 8.270 nan 0.000 0.430 345 A N 0.904 123.365 122.820 -0.599 0.000 1.933 345 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 345 A C 2.043 179.416 177.584 -0.353 0.000 1.175 345 A CA 1.012 52.608 52.037 -0.736 0.000 0.628 345 A CB -0.600 17.870 19.000 -0.884 0.000 0.814 345 A HN 0.281 nan 8.150 nan 0.000 0.444 346 L N -1.044 120.010 121.223 -0.281 0.000 2.027 346 L HA -0.177 4.163 4.340 -0.000 0.000 0.206 346 L C 3.143 179.956 176.870 -0.095 0.000 1.074 346 L CA 1.116 55.859 54.840 -0.162 0.000 0.745 346 L CB -0.557 41.416 42.059 -0.143 0.000 0.898 346 L HN 0.455 nan 8.230 nan 0.000 0.433 347 A N -0.325 122.442 122.820 -0.089 0.000 1.908 347 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 347 A C 2.130 179.729 177.584 0.025 0.000 1.181 347 A CA 1.660 53.670 52.037 -0.045 0.000 0.627 347 A CB -0.824 18.149 19.000 -0.044 0.000 0.818 347 A HN 0.428 nan 8.150 nan 0.000 0.445 348 F N 1.262 121.146 119.950 -0.111 0.000 2.113 348 F HA -0.133 4.394 4.527 -0.000 0.000 0.297 348 F C 2.480 178.328 175.800 0.079 0.000 1.103 348 F CA 2.319 60.324 58.000 0.009 0.000 1.248 348 F CB -0.719 38.192 39.000 -0.148 0.000 0.999 348 F HN 0.196 nan 8.300 nan 0.000 0.475 349 T N 1.537 116.131 114.554 0.066 0.000 2.746 349 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 349 T C 2.127 176.759 174.700 -0.114 0.000 1.039 349 T CA 1.758 63.872 62.100 0.024 0.000 1.142 349 T CB -0.542 68.381 68.868 0.092 0.000 0.866 349 T HN 0.243 nan 8.240 nan 0.000 0.444 350 L N 1.247 122.416 121.223 -0.089 0.000 2.201 350 L HA -0.039 4.301 4.340 -0.000 0.000 0.212 350 L C 2.572 179.373 176.870 -0.116 0.000 1.105 350 L CA 1.284 56.062 54.840 -0.103 0.000 0.775 350 L CB -0.661 41.345 42.059 -0.088 0.000 0.913 350 L HN 0.425 nan 8.230 nan 0.000 0.440 351 T N -5.729 108.764 114.554 -0.101 0.000 3.054 351 T HA 0.188 4.537 4.350 -0.000 0.000 0.255 351 T C 0.760 175.431 174.700 -0.049 0.000 1.035 351 T CA -0.281 61.781 62.100 -0.064 0.000 0.941 351 T CB 0.326 69.184 68.868 -0.017 0.000 1.026 351 T HN -0.029 nan 8.240 nan 0.000 0.533 352 S N 2.303 117.890 115.700 -0.189 0.000 2.672 352 S HA 0.564 5.034 4.470 -0.000 0.000 0.276 352 S C 0.431 174.906 174.600 -0.207 0.000 1.207 352 S CA -1.032 57.010 58.200 -0.263 0.000 1.002 352 S CB 0.878 63.789 63.200 -0.481 0.000 0.998 352 S HN 0.605 nan 8.310 nan 0.000 0.542 353 R N 0.925 121.329 120.500 -0.161 0.000 2.734 353 R HA 0.495 4.834 4.340 -0.000 0.000 0.266 353 R C 0.521 176.697 176.300 -0.207 0.000 1.044 353 R CA 0.699 56.721 56.100 -0.129 0.000 1.128 353 R CB -1.266 29.003 30.300 -0.051 0.000 1.010 353 R HN 0.924 nan 8.270 nan 0.000 0.461 354 G N 0.061 108.766 108.800 -0.158 0.000 2.428 354 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.202 354 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.202 354 G C -1.538 173.255 174.900 -0.179 0.000 1.247 354 G CA -0.353 44.640 45.100 -0.178 0.000 1.020 354 G HN 0.683 nan 8.290 nan 0.000 0.529 355 V N 2.776 122.580 119.914 -0.183 0.000 2.325 355 V HA 0.524 4.644 4.120 -0.000 0.000 0.280 355 V C -1.983 174.016 176.094 -0.157 0.000 1.016 355 V CA -1.031 61.172 62.300 -0.162 0.000 0.818 355 V CB 1.716 33.450 31.823 -0.148 0.000 1.019 355 V HN 0.665 nan 8.190 nan 0.000 0.434 356 P HA 0.382 nan 4.420 nan 0.000 0.276 356 P C -0.661 176.646 177.300 0.011 0.000 1.235 356 P CA 0.055 63.103 63.100 -0.087 0.000 0.772 356 P CB 1.438 33.081 31.700 -0.096 0.000 0.871 357 A N 4.645 127.515 122.820 0.084 0.000 2.343 357 A HA 0.696 5.016 4.320 -0.000 0.000 0.316 357 A C -0.428 177.254 177.584 0.162 0.000 1.104 357 A CA -0.852 51.289 52.037 0.174 0.000 0.768 357 A CB 0.736 19.911 19.000 0.291 0.000 1.213 357 A HN 0.467 nan 8.150 nan 0.000 0.456 358 I N 2.448 123.094 120.570 0.127 0.000 2.362 358 I HA 0.192 4.361 4.170 -0.000 0.000 0.289 358 I C -0.895 175.200 176.117 -0.037 0.000 0.994 358 I CA -0.682 60.664 61.300 0.076 0.000 1.158 358 I CB 1.394 39.454 38.000 0.101 0.000 1.315 358 I HN 0.730 nan 8.210 nan 0.000 0.451 359 Y N 8.518 128.726 120.300 -0.154 0.000 2.465 359 Y HA 0.084 4.633 4.550 -0.000 0.000 0.331 359 Y C 0.095 175.774 175.900 -0.367 0.000 1.102 359 Y CA -0.971 56.989 58.100 -0.233 0.000 1.358 359 Y CB 0.121 38.505 38.460 -0.126 0.000 1.213 359 Y HN 0.451 nan 8.280 nan 0.000 0.525 360 Y N 4.272 124.085 120.300 -0.813 0.000 2.969 360 Y HA 0.278 4.828 4.550 -0.000 0.000 0.339 360 Y C 1.075 176.783 175.900 -0.320 0.000 1.272 360 Y CA -0.032 57.651 58.100 -0.695 0.000 1.577 360 Y CB -0.081 38.125 38.460 -0.422 0.000 1.234 360 Y HN 0.931 nan 8.280 nan 0.000 0.590 361 G N 2.170 110.939 108.800 -0.050 0.000 2.213 361 G HA2 -0.363 3.596 3.960 -0.000 0.000 0.236 361 G HA3 -0.363 3.596 3.960 -0.000 0.000 0.236 361 G C 0.880 175.713 174.900 -0.112 0.000 0.991 361 G CA 0.363 45.396 45.100 -0.112 0.000 0.629 361 G HN 0.837 nan 8.290 nan 0.000 0.517 362 T N 1.784 116.264 114.554 -0.124 0.000 2.665 362 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 362 T C 2.125 176.712 174.700 -0.187 0.000 1.035 362 T CA 1.988 64.032 62.100 -0.094 0.000 1.151 362 T CB -0.279 68.562 68.868 -0.045 0.000 0.862 362 T HN 0.789 nan 8.240 nan 0.000 0.438 363 E N 0.975 121.120 120.200 -0.091 0.000 2.472 363 E HA -0.141 4.209 4.350 -0.000 0.000 0.200 363 E C 1.224 177.699 176.600 -0.207 0.000 1.046 363 E CA 0.816 57.130 56.400 -0.143 0.000 0.871 363 E CB -0.112 29.629 29.700 0.069 0.000 0.806 363 E HN 0.413 nan 8.360 nan 0.000 0.533 364 Q N -0.280 119.435 119.800 -0.141 0.000 2.194 364 Q HA 0.074 4.413 4.340 -0.000 0.000 0.214 364 Q C -0.538 175.477 176.000 0.025 0.000 0.838 364 Q CA -0.397 55.391 55.803 -0.026 0.000 0.972 364 Q CB -0.121 28.650 28.738 0.054 0.000 1.131 364 Q HN 0.329 nan 8.270 nan 0.000 0.498 365 Y N -1.119 119.171 120.300 -0.016 0.000 3.477 365 Y HA -0.272 4.278 4.550 -0.000 0.000 0.216 365 Y C 0.341 176.281 175.900 0.066 0.000 1.296 365 Y CA 0.198 58.250 58.100 -0.081 0.000 1.535 365 Y CB -2.586 35.739 38.460 -0.226 0.000 1.482 365 Y HN 0.194 nan 8.280 nan 0.000 0.597 366 M N 0.188 119.863 119.600 0.125 0.000 2.245 366 M HA 0.248 4.728 4.480 -0.000 0.000 0.344 366 M C 0.647 177.051 176.300 0.173 0.000 1.170 366 M CA 0.862 56.223 55.300 0.101 0.000 1.135 366 M CB 0.607 33.184 32.600 -0.039 0.000 1.574 366 M HN 0.282 nan 8.290 nan 0.000 0.452 367 S N 0.560 116.344 115.700 0.140 0.000 2.638 367 S HA 0.964 5.434 4.470 -0.000 0.000 0.302 367 S C -0.246 174.389 174.600 0.058 0.000 1.096 367 S CA -0.723 57.544 58.200 0.111 0.000 0.953 367 S CB 2.231 65.476 63.200 0.075 0.000 1.107 367 S HN 0.983 nan 8.310 nan 0.000 0.503 368 G N -0.462 108.364 108.800 0.043 0.000 2.368 368 G HA2 0.470 4.430 3.960 -0.000 0.000 0.301 368 G HA3 0.470 4.430 3.960 -0.000 0.000 0.301 368 G C -0.334 174.585 174.900 0.031 0.000 1.640 368 G CA -0.317 44.801 45.100 0.031 0.000 0.941 368 G HN 0.896 nan 8.290 nan 0.000 0.695 369 G N -0.526 108.285 108.800 0.019 0.000 2.546 369 G HA2 0.728 4.688 3.960 -0.000 0.000 0.239 369 G HA3 0.728 4.688 3.960 -0.000 0.000 0.239 369 G C 0.972 175.886 174.900 0.022 0.000 1.476 369 G CA 0.731 45.840 45.100 0.015 0.000 1.064 369 G HN 1.678 nan 8.290 nan 0.000 0.561 370 T N -1.510 113.053 114.554 0.014 0.000 2.701 370 T HA 0.216 4.566 4.350 -0.000 0.000 0.303 370 T C 0.233 174.942 174.700 0.015 0.000 1.030 370 T CA -0.055 62.052 62.100 0.012 0.000 1.010 370 T CB 0.664 69.530 68.868 -0.003 0.000 1.007 370 T HN 0.454 nan 8.240 nan 0.000 0.532 371 D N 2.003 122.412 120.400 0.015 0.000 2.662 371 D HA 0.014 4.654 4.640 -0.000 0.000 0.233 371 D C -1.127 175.192 176.300 0.032 0.000 1.129 371 D CA -1.287 52.734 54.000 0.035 0.000 0.851 371 D CB 0.558 41.375 40.800 0.028 0.000 1.152 371 D HN 0.419 nan 8.370 nan 0.000 0.507 372 P HA 0.168 nan 4.420 nan 0.000 0.272 372 P C 0.037 177.357 177.300 0.033 0.000 1.408 372 P CA -0.221 62.917 63.100 0.064 0.000 0.996 372 P CB 0.606 32.349 31.700 0.071 0.000 1.481 373 D N 1.498 121.911 120.400 0.023 0.000 2.309 373 D HA -0.116 4.524 4.640 -0.000 0.000 0.212 373 D C 1.205 177.521 176.300 0.027 0.000 0.968 373 D CA 0.997 55.007 54.000 0.017 0.000 0.882 373 D CB -0.357 40.451 40.800 0.013 0.000 0.918 373 D HN 0.367 nan 8.370 nan 0.000 0.503 374 N N 0.177 118.903 118.700 0.043 0.000 2.398 374 N HA -0.056 4.684 4.740 -0.000 0.000 0.188 374 N C 0.361 175.925 175.510 0.089 0.000 1.122 374 N CA 0.104 53.202 53.050 0.080 0.000 0.866 374 N CB -0.104 38.442 38.487 0.099 0.000 0.970 374 N HN 0.052 nan 8.380 nan 0.000 0.462 375 R N 0.093 120.616 120.500 0.038 0.000 2.865 375 R HA 0.475 4.815 4.340 -0.000 0.000 0.370 375 R C -0.323 176.023 176.300 0.077 0.000 1.168 375 R CA -0.352 55.764 56.100 0.026 0.000 1.058 375 R CB 0.775 31.013 30.300 -0.104 0.000 1.419 375 R HN 0.128 nan 8.270 nan 0.000 0.580 376 A N 1.216 124.074 122.820 0.063 0.000 2.313 376 A HA 0.271 4.591 4.320 -0.000 0.000 0.261 376 A C 0.094 177.754 177.584 0.127 0.000 1.090 376 A CA -0.465 51.602 52.037 0.050 0.000 0.807 376 A CB 0.361 19.369 19.000 0.012 0.000 1.055 376 A HN 0.459 nan 8.150 nan 0.000 0.492 377 R N 0.964 121.504 120.500 0.066 0.000 2.537 377 R HA 0.174 4.514 4.340 -0.000 0.000 0.280 377 R C -0.079 176.261 176.300 0.067 0.000 1.058 377 R CA -0.177 55.967 56.100 0.074 0.000 1.057 377 R CB 0.118 30.418 30.300 0.001 0.000 0.973 377 R HN 0.704 nan 8.270 nan 0.000 0.438 378 I N 7.847 128.481 120.570 0.108 0.000 2.662 378 I HA 0.006 4.176 4.170 -0.000 0.000 0.285 378 I C -1.189 174.794 176.117 -0.223 0.000 1.161 378 I CA -1.531 59.766 61.300 -0.005 0.000 1.415 378 I CB 1.192 39.212 38.000 0.035 0.000 1.385 378 I HN 0.732 nan 8.210 nan 0.000 0.552 379 P HA -0.070 nan 4.420 nan 0.000 0.220 379 P C -0.056 177.072 177.300 -0.287 0.000 1.148 379 P CA 0.845 63.837 63.100 -0.181 0.000 0.803 379 P CB 0.104 31.750 31.700 -0.089 0.000 0.782 380 S N -2.053 113.392 115.700 -0.426 0.000 2.615 380 S HA 0.475 4.945 4.470 -0.000 0.000 0.268 380 S C -1.350 172.846 174.600 -0.673 0.000 1.146 380 S CA -0.783 57.128 58.200 -0.481 0.000 0.818 380 S CB 0.152 63.240 63.200 -0.187 0.000 1.111 380 S HN -0.182 nan 8.310 nan 0.000 0.465 381 F N 2.044 121.867 119.950 -0.212 0.000 2.798 381 F HA 0.519 5.046 4.527 -0.000 0.000 0.333 381 F C 0.940 176.715 175.800 -0.041 0.000 1.324 381 F CA -0.553 57.216 58.000 -0.385 0.000 1.183 381 F CB 0.833 39.492 39.000 -0.569 0.000 1.132 381 F HN 0.634 nan 8.300 nan 0.000 0.521 382 S N 0.128 115.913 115.700 0.143 0.000 2.537 382 S HA 0.289 4.759 4.470 -0.000 0.000 0.275 382 S C 1.160 175.716 174.600 -0.073 0.000 1.272 382 S CA -0.064 58.169 58.200 0.056 0.000 1.050 382 S CB 0.829 64.041 63.200 0.020 0.000 0.961 382 S HN 0.479 nan 8.310 nan 0.000 0.496 383 T N 1.275 115.640 114.554 -0.315 0.000 3.163 383 T HA 0.201 4.551 4.350 -0.000 0.000 0.252 383 T C 0.857 175.263 174.700 -0.491 0.000 1.056 383 T CA -0.107 61.408 62.100 -0.976 0.000 0.947 383 T CB -0.123 68.249 68.868 -0.826 0.000 1.016 383 T HN 0.404 nan 8.240 nan 0.000 0.554 384 S N 2.086 117.671 115.700 -0.192 0.000 2.577 384 S HA 0.156 4.626 4.470 -0.000 0.000 0.219 384 S C 1.092 175.708 174.600 0.026 0.000 0.962 384 S CA -0.115 58.049 58.200 -0.060 0.000 0.921 384 S CB -0.085 63.097 63.200 -0.030 0.000 0.789 384 S HN 0.879 nan 8.310 nan 0.000 0.497 385 T N -0.682 113.914 114.554 0.071 0.000 2.882 385 T HA 0.218 4.568 4.350 -0.000 0.000 0.287 385 T C 1.327 176.137 174.700 0.183 0.000 1.014 385 T CA -0.289 61.921 62.100 0.183 0.000 1.049 385 T CB 0.961 69.981 68.868 0.252 0.000 1.001 385 T HN -0.021 nan 8.240 nan 0.000 0.525 386 T N 1.587 116.274 114.554 0.221 0.000 2.821 386 T HA 0.027 4.377 4.350 -0.000 0.000 0.267 386 T C 2.398 177.179 174.700 0.135 0.000 1.046 386 T CA 1.200 63.399 62.100 0.166 0.000 1.139 386 T CB -0.756 68.211 68.868 0.165 0.000 0.871 386 T HN 0.807 nan 8.240 nan 0.000 0.454 387 A N 0.738 123.629 122.820 0.119 0.000 1.877 387 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 387 A C 2.087 179.668 177.584 -0.004 0.000 1.186 387 A CA 1.614 53.623 52.037 -0.046 0.000 0.620 387 A CB -1.132 17.647 19.000 -0.368 0.000 0.822 387 A HN 0.559 nan 8.150 nan 0.000 0.443 388 Y N 0.763 121.018 120.300 -0.075 0.000 2.165 388 Y HA -0.270 4.280 4.550 -0.000 0.000 0.286 388 Y C 2.557 178.422 175.900 -0.058 0.000 1.155 388 Y CA 2.377 60.438 58.100 -0.066 0.000 1.164 388 Y CB -0.348 38.090 38.460 -0.037 0.000 0.978 388 Y HN 0.464 nan 8.280 nan 0.000 0.513 389 Q N -1.177 118.752 119.800 0.215 0.000 2.167 389 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 389 Q C 2.347 178.357 176.000 0.017 0.000 0.970 389 Q CA 1.575 57.452 55.803 0.125 0.000 0.855 389 Q CB -0.248 28.555 28.738 0.109 0.000 0.911 389 Q HN 0.385 nan 8.270 nan 0.000 0.438 390 V N 1.222 121.134 119.914 -0.004 0.000 2.295 390 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 390 V C 2.142 178.189 176.094 -0.079 0.000 1.049 390 V CA 1.588 63.865 62.300 -0.039 0.000 1.024 390 V CB -0.393 31.407 31.823 -0.038 0.000 0.648 390 V HN 0.334 nan 8.190 nan 0.000 0.447 391 I N -0.077 120.425 120.570 -0.114 0.000 2.226 391 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 391 I C 2.654 178.668 176.117 -0.171 0.000 1.100 391 I CA 2.036 63.243 61.300 -0.155 0.000 1.374 391 I CB -0.473 37.397 38.000 -0.216 0.000 1.057 391 I HN 0.415 nan 8.210 nan 0.000 0.413 392 Q N 1.375 121.059 119.800 -0.192 0.000 2.170 392 Q HA -0.217 4.123 4.340 -0.000 0.000 0.203 392 Q C 2.011 177.955 176.000 -0.093 0.000 0.976 392 Q CA 1.451 57.160 55.803 -0.157 0.000 0.858 392 Q CB 0.128 28.807 28.738 -0.098 0.000 0.907 392 Q HN 0.414 nan 8.270 nan 0.000 0.433 393 K N -0.140 120.216 120.400 -0.074 0.000 2.186 393 K HA 0.042 4.362 4.320 -0.000 0.000 0.202 393 K C 2.011 178.564 176.600 -0.077 0.000 1.052 393 K CA 0.563 56.813 56.287 -0.062 0.000 0.965 393 K CB 0.283 32.754 32.500 -0.049 0.000 0.746 393 K HN 0.314 nan 8.250 nan 0.000 0.457 394 L N -0.056 121.113 121.223 -0.089 0.000 2.357 394 L HA 0.107 4.447 4.340 -0.000 0.000 0.211 394 L C 2.487 179.295 176.870 -0.104 0.000 1.075 394 L CA 0.364 55.147 54.840 -0.095 0.000 0.830 394 L CB -0.437 41.565 42.059 -0.094 0.000 0.996 394 L HN -0.004 nan 8.230 nan 0.000 0.467 395 A N 1.336 124.089 122.820 -0.111 0.000 1.892 395 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 395 A C -0.147 177.366 177.584 -0.117 0.000 1.188 395 A CA 1.897 53.865 52.037 -0.115 0.000 0.631 395 A CB -1.855 17.072 19.000 -0.123 0.000 0.822 395 A HN 0.257 nan 8.150 nan 0.000 0.447 396 P HA -0.111 nan 4.420 nan 0.000 0.221 396 P C 1.277 178.512 177.300 -0.108 0.000 1.145 396 P CA 0.712 63.749 63.100 -0.104 0.000 0.795 396 P CB -0.164 31.484 31.700 -0.088 0.000 0.775 397 L N -1.020 120.139 121.223 -0.106 0.000 2.191 397 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 397 L C 2.442 179.229 176.870 -0.138 0.000 1.103 397 L CA 1.307 56.082 54.840 -0.108 0.000 0.769 397 L CB -0.599 41.401 42.059 -0.098 0.000 0.908 397 L HN -0.014 nan 8.230 nan 0.000 0.438 398 R N -0.128 120.277 120.500 -0.158 0.000 2.189 398 R HA -0.102 4.237 4.340 -0.000 0.000 0.223 398 R C 2.071 178.229 176.300 -0.237 0.000 1.092 398 R CA 0.703 56.677 56.100 -0.210 0.000 0.989 398 R CB -0.037 30.138 30.300 -0.208 0.000 0.876 398 R HN 0.317 nan 8.270 nan 0.000 0.457 399 K N 0.095 120.383 120.400 -0.186 0.000 2.128 399 K HA -0.010 4.310 4.320 -0.000 0.000 0.202 399 K C 2.187 178.698 176.600 -0.150 0.000 1.050 399 K CA 1.127 57.309 56.287 -0.176 0.000 0.966 399 K CB 0.025 32.439 32.500 -0.143 0.000 0.759 399 K HN 0.325 nan 8.250 nan 0.000 0.454 400 C N 0.356 119.581 119.300 -0.126 0.000 2.673 400 C HA 0.268 4.728 4.460 -0.000 0.000 0.264 400 C C 0.729 175.661 174.990 -0.096 0.000 1.304 400 C CA -0.620 58.338 59.018 -0.100 0.000 1.727 400 C CB -0.805 26.886 27.740 -0.081 0.000 1.932 400 C HN 0.141 nan 8.230 nan 0.000 0.563 401 N N 1.656 120.287 118.700 -0.114 0.000 2.623 401 N HA 0.331 5.071 4.740 -0.000 0.000 0.256 401 N C -1.956 173.476 175.510 -0.131 0.000 1.045 401 N CA -1.862 51.132 53.050 -0.092 0.000 0.863 401 N CB 1.560 40.004 38.487 -0.072 0.000 1.182 401 N HN 0.084 nan 8.380 nan 0.000 0.523 402 P HA -0.105 nan 4.420 nan 0.000 0.221 402 P C 0.981 178.179 177.300 -0.171 0.000 1.145 402 P CA 0.756 63.734 63.100 -0.203 0.000 0.795 402 P CB 0.297 32.018 31.700 0.036 0.000 0.775 403 A N -0.251 122.583 122.820 0.023 0.000 1.972 403 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 403 A C 2.252 179.824 177.584 -0.020 0.000 1.169 403 A CA 1.347 53.439 52.037 0.091 0.000 0.635 403 A CB -1.461 17.606 19.000 0.112 0.000 0.810 403 A HN 0.168 nan 8.150 nan 0.000 0.446 404 I N -0.745 119.764 120.570 -0.101 0.000 2.333 404 I HA -0.165 4.005 4.170 -0.000 0.000 0.246 404 I C 2.878 178.857 176.117 -0.230 0.000 1.106 404 I CA 0.921 62.142 61.300 -0.131 0.000 1.411 404 I CB -0.186 37.736 38.000 -0.129 0.000 1.082 404 I HN 0.329 nan 8.210 nan 0.000 0.420 405 A N 0.033 122.606 122.820 -0.410 0.000 1.897 405 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 405 A C 1.640 178.865 177.584 -0.597 0.000 1.181 405 A CA 1.545 53.194 52.037 -0.647 0.000 0.620 405 A CB -0.455 17.895 19.000 -1.084 0.000 0.821 405 A HN 0.477 nan 8.150 nan 0.000 0.443 406 Y N -0.817 119.294 120.300 -0.315 0.000 2.471 406 Y HA 0.366 4.916 4.550 -0.000 0.000 0.249 406 Y C 1.550 177.385 175.900 -0.109 0.000 1.116 406 Y CA -0.939 56.961 58.100 -0.333 0.000 1.240 406 Y CB -0.713 37.228 38.460 -0.866 0.000 1.251 406 Y HN 0.224 nan 8.280 nan 0.000 0.527 407 G N 0.946 109.806 108.800 0.101 0.000 2.636 407 G HA2 0.338 4.298 3.960 -0.000 0.000 0.246 407 G HA3 0.338 4.298 3.960 -0.000 0.000 0.246 407 G C 0.315 175.319 174.900 0.173 0.000 1.216 407 G CA -0.114 45.121 45.100 0.225 0.000 0.854 407 G HN 0.247 nan 8.290 nan 0.000 0.572 408 S N -0.835 114.974 115.700 0.181 0.000 2.634 408 S HA 0.586 5.056 4.470 -0.000 0.000 0.261 408 S C 0.024 174.700 174.600 0.127 0.000 1.271 408 S CA -0.422 57.860 58.200 0.136 0.000 0.985 408 S CB 1.420 64.694 63.200 0.124 0.000 0.968 408 S HN 0.578 nan 8.310 nan 0.000 0.568 409 T N 1.407 116.028 114.554 0.113 0.000 2.848 409 T HA 0.525 4.874 4.350 -0.000 0.000 0.285 409 T C -1.012 173.767 174.700 0.132 0.000 0.995 409 T CA -0.529 61.649 62.100 0.130 0.000 0.970 409 T CB 1.388 70.305 68.868 0.081 0.000 0.976 409 T HN 0.655 nan 8.240 nan 0.000 0.441 410 Q N 1.999 121.902 119.800 0.172 0.000 2.305 410 Q HA 0.253 4.593 4.340 -0.000 0.000 0.271 410 Q C -1.106 175.012 176.000 0.197 0.000 1.046 410 Q CA -0.674 55.221 55.803 0.153 0.000 0.798 410 Q CB 1.910 30.725 28.738 0.127 0.000 1.286 410 Q HN 0.636 nan 8.270 nan 0.000 0.435 411 E N 3.509 123.810 120.200 0.168 0.000 2.316 411 E HA 0.076 4.426 4.350 -0.000 0.000 0.275 411 E C -0.231 176.475 176.600 0.177 0.000 1.029 411 E CA 0.142 56.657 56.400 0.191 0.000 0.871 411 E CB 0.647 30.426 29.700 0.131 0.000 1.022 411 E HN 0.636 nan 8.360 nan 0.000 0.418 412 R N 3.484 124.118 120.500 0.224 0.000 2.419 412 R HA 0.151 4.491 4.340 -0.000 0.000 0.235 412 R C -0.119 176.364 176.300 0.305 0.000 0.899 412 R CA -0.069 56.163 56.100 0.220 0.000 1.048 412 R CB 0.678 31.103 30.300 0.207 0.000 1.182 412 R HN 0.546 nan 8.270 nan 0.000 0.544 413 W N 0.526 121.879 121.300 0.089 0.000 3.707 413 W HA 0.570 5.230 4.660 -0.000 0.000 0.294 413 W C -1.808 174.731 176.519 0.035 0.000 1.248 413 W CA -0.611 56.771 57.345 0.061 0.000 1.217 413 W CB 1.290 30.791 29.460 0.068 0.000 1.306 413 W HN -0.130 nan 8.180 nan 0.000 0.532 414 I N 6.183 126.722 120.570 -0.052 0.000 2.842 414 I HA 0.447 4.617 4.170 -0.000 0.000 0.297 414 I C -1.550 174.399 176.117 -0.280 0.000 1.380 414 I CA -0.477 60.785 61.300 -0.063 0.000 1.018 414 I CB 1.602 39.487 38.000 -0.192 0.000 1.311 414 I HN 0.632 nan 8.210 nan 0.000 0.439 415 N N 3.759 122.367 118.700 -0.153 0.000 3.418 415 N HA 0.336 5.076 4.740 -0.000 0.000 0.316 415 N C -0.460 174.962 175.510 -0.146 0.000 1.601 415 N CA -0.689 52.317 53.050 -0.073 0.000 0.805 415 N CB 0.342 38.879 38.487 0.083 0.000 1.873 415 N HN 0.602 nan 8.380 nan 0.000 0.615 416 N N -1.032 117.718 118.700 0.083 0.000 2.149 416 N HA -0.110 4.630 4.740 -0.000 0.000 0.188 416 N C -0.313 175.175 175.510 -0.037 0.000 1.019 416 N CA 1.374 54.469 53.050 0.076 0.000 0.857 416 N CB -0.055 38.496 38.487 0.108 0.000 0.997 416 N HN 0.502 nan 8.380 nan 0.000 0.426 417 D N -0.272 120.123 120.400 -0.008 0.000 2.423 417 D HA 0.117 4.757 4.640 -0.000 0.000 0.208 417 D C -0.130 176.165 176.300 -0.009 0.000 1.068 417 D CA 0.240 54.223 54.000 -0.028 0.000 0.860 417 D CB 1.067 41.873 40.800 0.009 0.000 0.992 417 D HN -0.062 nan 8.370 nan 0.000 0.504 418 V N 1.795 121.741 119.914 0.054 0.000 2.513 418 V HA 0.454 4.574 4.120 -0.000 0.000 0.299 418 V C -0.637 175.541 176.094 0.140 0.000 1.035 418 V CA -0.867 61.508 62.300 0.124 0.000 0.889 418 V CB 2.517 34.473 31.823 0.221 0.000 0.988 418 V HN -0.063 nan 8.190 nan 0.000 0.440 419 L N 6.093 127.421 121.223 0.175 0.000 2.438 419 L HA 0.673 5.013 4.340 -0.000 0.000 0.270 419 L C -1.078 175.992 176.870 0.333 0.000 0.972 419 L CA 0.059 55.039 54.840 0.232 0.000 0.831 419 L CB 1.614 43.786 42.059 0.188 0.000 1.273 419 L HN 0.566 nan 8.230 nan 0.000 0.405 420 I N 6.171 126.956 120.570 0.358 0.000 2.410 420 I HA 0.403 4.573 4.170 -0.000 0.000 0.286 420 I C -1.152 175.171 176.117 0.344 0.000 1.009 420 I CA -0.755 60.727 61.300 0.304 0.000 1.111 420 I CB 1.350 39.533 38.000 0.305 0.000 1.262 420 I HN 0.653 nan 8.210 nan 0.000 0.443 421 Y N 3.269 123.687 120.300 0.196 0.000 2.570 421 Y HA 0.756 5.306 4.550 -0.000 0.000 0.345 421 Y C -0.783 175.197 175.900 0.133 0.000 1.014 421 Y CA -1.354 56.842 58.100 0.161 0.000 1.063 421 Y CB 1.220 39.775 38.460 0.159 0.000 1.272 421 Y HN 0.501 nan 8.280 nan 0.000 0.477 422 E N 2.082 122.430 120.200 0.246 0.000 2.222 422 E HA 0.491 4.841 4.350 -0.000 0.000 0.267 422 E C -1.221 175.491 176.600 0.187 0.000 0.884 422 E CA -1.139 55.347 56.400 0.144 0.000 0.764 422 E CB 1.108 30.880 29.700 0.121 0.000 1.169 422 E HN 0.630 nan 8.360 nan 0.000 0.413 423 R N 3.278 123.863 120.500 0.141 0.000 2.514 423 R HA 0.481 4.821 4.340 -0.000 0.000 0.301 423 R C -0.756 175.621 176.300 0.129 0.000 0.962 423 R CA -0.673 55.512 56.100 0.142 0.000 0.882 423 R CB 1.579 31.946 30.300 0.111 0.000 1.143 423 R HN 0.506 nan 8.270 nan 0.000 0.452 424 K N 2.021 122.514 120.400 0.155 0.000 2.501 424 K HA 0.504 4.824 4.320 -0.000 0.000 0.252 424 K C -1.881 174.874 176.600 0.259 0.000 0.934 424 K CA -0.614 55.775 56.287 0.169 0.000 0.797 424 K CB 1.607 34.182 32.500 0.126 0.000 1.270 424 K HN 0.429 nan 8.250 nan 0.000 0.431 425 F N 3.654 123.647 119.950 0.071 0.000 2.722 425 F HA 0.415 4.942 4.527 -0.000 0.000 0.336 425 F C 0.158 175.992 175.800 0.057 0.000 1.216 425 F CA 0.740 58.786 58.000 0.077 0.000 1.065 425 F CB 1.244 40.311 39.000 0.111 0.000 1.325 425 F HN 0.819 nan 8.300 nan 0.000 0.524 426 G N 3.473 111.995 108.800 -0.464 0.000 2.574 426 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.286 426 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.286 426 G C 0.202 175.059 174.900 -0.072 0.000 1.212 426 G CA 0.100 45.002 45.100 -0.329 0.000 0.979 426 G HN 1.112 nan 8.290 nan 0.000 0.557 427 S N 2.488 118.179 115.700 -0.015 0.000 2.596 427 S HA 0.372 4.842 4.470 -0.000 0.000 0.248 427 S C 0.121 174.773 174.600 0.088 0.000 1.162 427 S CA -0.261 57.984 58.200 0.075 0.000 1.185 427 S CB -0.382 62.859 63.200 0.069 0.000 0.833 427 S HN 0.546 nan 8.310 nan 0.000 0.472 428 N N 1.066 119.833 118.700 0.112 0.000 2.295 428 N HA 0.524 5.264 4.740 -0.000 0.000 0.293 428 N C -1.314 174.292 175.510 0.159 0.000 1.040 428 N CA -0.340 52.775 53.050 0.108 0.000 0.840 428 N CB 2.467 41.019 38.487 0.107 0.000 1.468 428 N HN -0.017 nan 8.380 nan 0.000 0.478 429 V N 0.285 120.300 119.914 0.168 0.000 2.925 429 V HA 0.861 4.980 4.120 -0.000 0.000 0.311 429 V C -0.733 175.415 176.094 0.090 0.000 1.104 429 V CA -0.852 61.530 62.300 0.136 0.000 0.954 429 V CB 1.899 33.806 31.823 0.139 0.000 1.022 429 V HN 0.836 nan 8.190 nan 0.000 0.427 430 A N 2.999 125.852 122.820 0.055 0.000 2.398 430 A HA 0.902 5.222 4.320 -0.000 0.000 0.301 430 A C -1.353 176.223 177.584 -0.012 0.000 1.041 430 A CA -0.553 51.491 52.037 0.012 0.000 0.711 430 A CB 1.957 20.950 19.000 -0.013 0.000 1.240 430 A HN 0.775 nan 8.150 nan 0.000 0.420 431 V N 2.542 122.445 119.914 -0.018 0.000 2.487 431 V HA 0.571 4.691 4.120 -0.000 0.000 0.298 431 V C -0.477 175.520 176.094 -0.161 0.000 1.028 431 V CA -0.565 61.726 62.300 -0.015 0.000 0.860 431 V CB 1.561 33.477 31.823 0.156 0.000 0.991 431 V HN 0.693 nan 8.190 nan 0.000 0.427 432 V N 3.499 123.153 119.914 -0.433 0.000 2.495 432 V HA 0.857 4.977 4.120 -0.000 0.000 0.298 432 V C 0.211 176.079 176.094 -0.377 0.000 1.031 432 V CA -0.541 61.417 62.300 -0.569 0.000 0.871 432 V CB 1.834 33.165 31.823 -0.820 0.000 0.988 432 V HN 0.999 nan 8.190 nan 0.000 0.432 433 A N 4.493 127.154 122.820 -0.266 0.000 2.318 433 A HA 0.898 5.217 4.320 -0.000 0.000 0.317 433 A C -0.968 176.633 177.584 0.028 0.000 1.159 433 A CA -0.535 51.495 52.037 -0.012 0.000 0.799 433 A CB 1.512 20.600 19.000 0.146 0.000 1.194 433 A HN 0.716 nan 8.150 nan 0.000 0.479 434 V N 2.858 122.860 119.914 0.147 0.000 2.577 434 V HA 0.423 4.543 4.120 -0.000 0.000 0.303 434 V C -0.747 175.444 176.094 0.162 0.000 1.042 434 V CA -0.788 61.623 62.300 0.185 0.000 0.872 434 V CB 2.029 34.051 31.823 0.330 0.000 0.998 434 V HN 0.894 nan 8.190 nan 0.000 0.423 435 N N 3.357 122.138 118.700 0.134 0.000 2.626 435 N HA 0.286 5.026 4.740 -0.000 0.000 0.249 435 N C 0.969 176.542 175.510 0.105 0.000 1.021 435 N CA -0.837 52.270 53.050 0.095 0.000 0.886 435 N CB 1.334 39.863 38.487 0.070 0.000 1.149 435 N HN 0.642 nan 8.380 nan 0.000 0.517 436 R N 1.687 122.233 120.500 0.076 0.000 2.237 436 R HA 0.054 4.394 4.340 -0.000 0.000 0.219 436 R C 0.385 176.718 176.300 0.055 0.000 1.080 436 R CA 0.490 56.635 56.100 0.075 0.000 0.995 436 R CB -0.406 29.824 30.300 -0.116 0.000 0.875 436 R HN 0.250 nan 8.270 nan 0.000 0.462 437 N N 1.431 120.154 118.700 0.039 0.000 2.406 437 N HA -0.021 4.719 4.740 -0.000 0.000 0.265 437 N C 0.066 175.605 175.510 0.048 0.000 1.203 437 N CA -0.083 52.988 53.050 0.035 0.000 0.945 437 N CB 0.729 39.234 38.487 0.029 0.000 1.165 437 N HN 0.101 nan 8.380 nan 0.000 0.485 438 L N 3.671 124.924 121.223 0.051 0.000 2.465 438 L HA 0.011 4.351 4.340 -0.000 0.000 0.224 438 L C 0.951 177.846 176.870 0.041 0.000 1.145 438 L CA 1.172 56.044 54.840 0.053 0.000 0.834 438 L CB -0.599 41.495 42.059 0.058 0.000 0.944 438 L HN 0.579 nan 8.230 nan 0.000 0.451 439 N N -1.347 117.374 118.700 0.034 0.000 2.273 439 N HA 0.309 5.049 4.740 -0.000 0.000 0.192 439 N C 0.250 175.776 175.510 0.027 0.000 1.132 439 N CA 0.363 53.429 53.050 0.028 0.000 0.887 439 N CB 0.699 39.200 38.487 0.023 0.000 1.048 439 N HN 0.147 nan 8.380 nan 0.000 0.490 440 A N 1.343 124.181 122.820 0.029 0.000 2.374 440 A HA 0.592 4.912 4.320 -0.000 0.000 0.305 440 A C -2.635 174.966 177.584 0.027 0.000 1.053 440 A CA -1.508 50.545 52.037 0.027 0.000 0.726 440 A CB 1.392 20.408 19.000 0.026 0.000 1.229 440 A HN -0.148 nan 8.150 nan 0.000 0.431 441 P HA 0.534 nan 4.420 nan 0.000 0.275 441 P C -0.395 176.907 177.300 0.002 0.000 1.266 441 P CA -0.130 62.979 63.100 0.016 0.000 0.793 441 P CB 1.164 32.873 31.700 0.015 0.000 1.074 442 A N 0.103 122.904 122.820 -0.031 0.000 2.475 442 A HA 0.569 4.889 4.320 -0.000 0.000 0.301 442 A C -0.607 176.884 177.584 -0.154 0.000 1.059 442 A CA -0.496 51.504 52.037 -0.061 0.000 0.710 442 A CB 1.013 19.974 19.000 -0.065 0.000 1.288 442 A HN 0.325 nan 8.150 nan 0.000 0.408 443 S N 1.122 116.741 115.700 -0.134 0.000 2.410 443 S HA 0.462 4.932 4.470 -0.000 0.000 0.304 443 S C -0.416 173.975 174.600 -0.348 0.000 1.095 443 S CA -0.077 58.006 58.200 -0.194 0.000 1.089 443 S CB -0.133 63.027 63.200 -0.067 0.000 0.968 443 S HN 0.458 nan 8.310 nan 0.000 0.480 444 I N 4.064 124.213 120.570 -0.701 0.000 2.297 444 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 444 I C 0.258 176.042 176.117 -0.556 0.000 1.033 444 I CA 0.126 60.821 61.300 -1.009 0.000 1.253 444 I CB 0.878 37.850 38.000 -1.713 0.000 1.396 444 I HN 0.560 nan 8.210 nan 0.000 0.476 445 S N 3.361 118.994 115.700 -0.112 0.000 2.548 445 S HA 0.805 5.275 4.470 -0.000 0.000 0.286 445 S C 0.382 175.142 174.600 0.266 0.000 1.098 445 S CA -0.203 58.031 58.200 0.057 0.000 0.930 445 S CB 1.942 65.179 63.200 0.061 0.000 1.070 445 S HN 1.117 nan 8.310 nan 0.000 0.480 446 G N 0.164 109.075 108.800 0.184 0.000 2.132 446 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.234 446 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.234 446 G C -0.310 174.751 174.900 0.268 0.000 0.989 446 G CA 0.069 45.292 45.100 0.205 0.000 0.676 446 G HN 1.210 nan 8.290 nan 0.000 0.522 447 L N 1.310 122.680 121.223 0.246 0.000 2.361 447 L HA 0.668 5.008 4.340 -0.000 0.000 0.278 447 L C 0.204 177.163 176.870 0.148 0.000 1.113 447 L CA -0.504 54.486 54.840 0.250 0.000 0.849 447 L CB 1.394 43.557 42.059 0.173 0.000 1.155 447 L HN 0.095 nan 8.230 nan 0.000 0.452 448 V N 4.749 124.748 119.914 0.141 0.000 2.555 448 V HA 0.770 4.890 4.120 -0.000 0.000 0.302 448 V C 0.279 176.415 176.094 0.070 0.000 1.038 448 V CA -0.013 62.336 62.300 0.082 0.000 0.887 448 V CB 1.739 33.606 31.823 0.073 0.000 0.991 448 V HN 0.981 nan 8.190 nan 0.000 0.434 449 T N 0.223 114.793 114.554 0.028 0.000 2.804 449 T HA 0.393 4.743 4.350 -0.000 0.000 0.290 449 T C 0.288 174.983 174.700 -0.008 0.000 1.099 449 T CA -0.410 61.697 62.100 0.011 0.000 1.011 449 T CB 1.919 70.766 68.868 -0.036 0.000 1.291 449 T HN 0.320 nan 8.240 nan 0.000 0.523 450 S N 0.078 115.771 115.700 -0.012 0.000 2.572 450 S HA 0.333 4.803 4.470 -0.000 0.000 0.228 450 S C 0.492 175.054 174.600 -0.064 0.000 0.963 450 S CA -0.525 57.665 58.200 -0.016 0.000 0.939 450 S CB -0.637 62.574 63.200 0.018 0.000 0.804 450 S HN 0.467 nan 8.310 nan 0.000 0.480 451 L N 2.759 123.914 121.223 -0.113 0.000 2.397 451 L HA 0.294 4.634 4.340 -0.000 0.000 0.271 451 L C -2.323 174.460 176.870 -0.146 0.000 1.148 451 L CA -1.970 52.753 54.840 -0.196 0.000 0.825 451 L CB 0.172 41.995 42.059 -0.393 0.000 1.117 451 L HN -0.053 nan 8.230 nan 0.000 0.456 452 P HA 0.037 nan 4.420 nan 0.000 0.274 452 P C -1.199 176.094 177.300 -0.011 0.000 1.237 452 P CA -0.567 62.429 63.100 -0.172 0.000 0.793 452 P CB 0.428 31.902 31.700 -0.376 0.000 0.977 453 Q N 0.997 120.778 119.800 -0.033 0.000 2.300 453 Q HA 0.435 4.775 4.340 -0.000 0.000 0.280 453 Q C 0.009 175.985 176.000 -0.040 0.000 1.033 453 Q CA 0.135 55.930 55.803 -0.012 0.000 0.903 453 Q CB -0.126 28.596 28.738 -0.027 0.000 1.195 453 Q HN 0.679 nan 8.270 nan 0.000 0.386 454 G N 1.564 110.331 108.800 -0.054 0.000 2.345 454 G HA2 0.185 4.145 3.960 -0.000 0.000 0.285 454 G HA3 0.185 4.145 3.960 -0.000 0.000 0.285 454 G C -1.539 173.211 174.900 -0.249 0.000 1.297 454 G CA -0.560 44.427 45.100 -0.189 0.000 0.875 454 G HN 0.582 nan 8.290 nan 0.000 0.506 455 S N -0.769 114.695 115.700 -0.393 0.000 2.503 455 S HA 0.778 5.248 4.470 -0.000 0.000 0.301 455 S C -1.584 172.701 174.600 -0.525 0.000 1.087 455 S CA -0.296 57.718 58.200 -0.310 0.000 1.042 455 S CB 1.124 64.216 63.200 -0.180 0.000 1.043 455 S HN 0.453 nan 8.310 nan 0.000 0.489 456 Y N 1.834 122.058 120.300 -0.128 0.000 2.331 456 Y HA 0.412 4.962 4.550 -0.000 0.000 0.334 456 Y C 0.258 176.209 175.900 0.086 0.000 0.960 456 Y CA -1.078 57.006 58.100 -0.026 0.000 1.130 456 Y CB 1.052 39.478 38.460 -0.056 0.000 1.164 456 Y HN 0.503 nan 8.280 nan 0.000 0.458 457 N N 1.807 120.652 118.700 0.242 0.000 2.530 457 N HA 0.041 4.781 4.740 -0.000 0.000 0.277 457 N C -0.743 174.953 175.510 0.310 0.000 1.168 457 N CA -0.448 52.733 53.050 0.218 0.000 0.979 457 N CB 0.624 39.175 38.487 0.106 0.000 1.141 457 N HN 0.633 nan 8.380 nan 0.000 0.459 458 D N 0.859 121.398 120.400 0.231 0.000 2.450 458 D HA -0.023 4.617 4.640 -0.000 0.000 0.247 458 D C 0.959 177.245 176.300 -0.023 0.000 1.162 458 D CA -0.047 53.967 54.000 0.022 0.000 0.879 458 D CB 0.736 41.527 40.800 -0.016 0.000 1.163 458 D HN 0.146 nan 8.370 nan 0.000 0.472 459 V N 4.345 124.204 119.914 -0.091 0.000 2.594 459 V HA -0.196 3.924 4.120 -0.000 0.000 0.253 459 V C 2.189 178.244 176.094 -0.066 0.000 1.069 459 V CA 1.263 63.528 62.300 -0.059 0.000 1.082 459 V CB -0.447 31.329 31.823 -0.079 0.000 0.680 459 V HN 0.642 nan 8.190 nan 0.000 0.469 460 L N 0.291 121.455 121.223 -0.098 0.000 2.552 460 L HA 0.192 4.532 4.340 -0.000 0.000 0.227 460 L C 1.741 178.589 176.870 -0.037 0.000 1.146 460 L CA 0.829 55.627 54.840 -0.071 0.000 0.858 460 L CB -0.634 41.371 42.059 -0.090 0.000 0.969 460 L HN 0.525 nan 8.230 nan 0.000 0.451 461 G N 0.082 108.867 108.800 -0.025 0.000 2.249 461 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.273 461 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.273 461 G C 0.978 175.881 174.900 0.004 0.000 1.036 461 G CA 0.367 45.466 45.100 -0.001 0.000 0.824 461 G HN 0.685 nan 8.290 nan 0.000 0.504 462 G N -1.788 107.010 108.800 -0.003 0.000 2.162 462 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.260 462 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.260 462 G C 1.217 176.121 174.900 0.006 0.000 0.976 462 G CA 1.027 46.132 45.100 0.008 0.000 0.655 462 G HN 1.596 nan 8.290 nan 0.000 0.533 463 L N -0.038 121.184 121.223 -0.001 0.000 2.081 463 L HA 0.142 4.482 4.340 -0.000 0.000 0.212 463 L C 2.000 178.877 176.870 0.011 0.000 1.080 463 L CA 2.305 57.150 54.840 0.007 0.000 0.754 463 L CB -0.106 41.955 42.059 0.004 0.000 0.893 463 L HN 0.429 nan 8.230 nan 0.000 0.433 464 L N -0.281 120.942 121.223 -0.000 0.000 3.094 464 L HA 0.275 4.615 4.340 -0.000 0.000 0.254 464 L C 0.178 177.057 176.870 0.015 0.000 1.298 464 L CA -0.181 54.665 54.840 0.009 0.000 1.050 464 L CB -0.658 41.401 42.059 -0.001 0.000 1.420 464 L HN 0.304 nan 8.230 nan 0.000 0.548 465 N N -0.439 118.273 118.700 0.020 0.000 2.747 465 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 465 N C 0.666 176.200 175.510 0.041 0.000 1.107 465 N CA 0.713 53.783 53.050 0.034 0.000 0.707 465 N CB -1.000 37.513 38.487 0.042 0.000 1.054 465 N HN 0.626 nan 8.380 nan 0.000 0.555 466 G N -0.063 108.747 108.800 0.016 0.000 2.616 466 G HA2 0.492 4.452 3.960 -0.000 0.000 0.268 466 G HA3 0.492 4.452 3.960 -0.000 0.000 0.268 466 G C 0.186 175.134 174.900 0.080 0.000 1.213 466 G CA -0.102 45.006 45.100 0.014 0.000 0.926 466 G HN 0.415 nan 8.290 nan 0.000 0.523 467 N N -1.823 116.978 118.700 0.168 0.000 3.102 467 N HA 0.328 5.068 4.740 -0.000 0.000 0.299 467 N C -0.990 174.695 175.510 0.292 0.000 1.482 467 N CA -0.599 52.559 53.050 0.179 0.000 0.785 467 N CB 1.124 39.697 38.487 0.143 0.000 1.680 467 N HN 0.333 nan 8.380 nan 0.000 0.594 468 T N 0.752 115.382 114.554 0.127 0.000 2.910 468 T HA 0.403 4.753 4.350 -0.000 0.000 0.293 468 T C -0.269 174.282 174.700 -0.249 0.000 1.015 468 T CA -0.287 61.847 62.100 0.057 0.000 1.094 468 T CB 0.494 69.361 68.868 -0.002 0.000 0.968 468 T HN 0.372 nan 8.240 nan 0.000 0.521 469 L N 2.034 122.958 121.223 -0.498 0.000 2.341 469 L HA 0.599 4.939 4.340 -0.000 0.000 0.278 469 L C -0.426 176.219 176.870 -0.376 0.000 1.005 469 L CA -0.065 54.271 54.840 -0.840 0.000 0.818 469 L CB 2.101 43.101 42.059 -1.765 0.000 1.259 469 L HN 0.517 nan 8.230 nan 0.000 0.418 470 S N 3.397 118.917 115.700 -0.299 0.000 2.474 470 S HA 0.638 5.108 4.470 -0.000 0.000 0.321 470 S C -0.842 173.695 174.600 -0.104 0.000 1.080 470 S CA -0.484 57.632 58.200 -0.141 0.000 1.106 470 S CB 1.151 64.290 63.200 -0.103 0.000 0.984 470 S HN 0.387 nan 8.310 nan 0.000 0.464 471 V N 3.855 123.751 119.914 -0.031 0.000 2.398 471 V HA 0.634 4.754 4.120 -0.000 0.000 0.286 471 V C 1.015 177.103 176.094 -0.011 0.000 1.026 471 V CA -0.489 61.801 62.300 -0.016 0.000 0.868 471 V CB 1.334 33.176 31.823 0.032 0.000 0.982 471 V HN 0.882 nan 8.190 nan 0.000 0.443 472 G N 3.272 112.062 108.800 -0.017 0.000 2.574 472 G HA2 0.470 4.430 3.960 -0.000 0.000 0.248 472 G HA3 0.470 4.430 3.960 -0.000 0.000 0.248 472 G C 0.249 175.141 174.900 -0.013 0.000 1.422 472 G CA -0.026 45.066 45.100 -0.014 0.000 1.051 472 G HN 0.842 nan 8.290 nan 0.000 0.560 473 S N -1.844 113.849 115.700 -0.012 0.000 2.592 473 S HA 0.456 4.926 4.470 -0.000 0.000 0.271 473 S C 1.259 175.854 174.600 -0.008 0.000 1.326 473 S CA 0.552 58.745 58.200 -0.012 0.000 1.024 473 S CB 1.057 64.251 63.200 -0.010 0.000 0.921 473 S HN 2.348 nan 8.310 nan 0.000 0.527 474 G N 0.762 109.556 108.800 -0.009 0.000 2.184 474 G HA2 0.063 4.022 3.960 -0.000 0.000 0.264 474 G HA3 0.063 4.022 3.960 -0.000 0.000 0.264 474 G C 1.193 176.090 174.900 -0.005 0.000 0.975 474 G CA 0.524 45.622 45.100 -0.004 0.000 0.642 474 G HN 2.410 nan 8.290 nan 0.000 0.536 475 G N -1.106 107.685 108.800 -0.014 0.000 2.162 475 G HA2 0.159 4.119 3.960 -0.000 0.000 0.260 475 G HA3 0.159 4.119 3.960 -0.000 0.000 0.260 475 G C 0.762 175.655 174.900 -0.012 0.000 0.976 475 G CA 1.229 46.316 45.100 -0.021 0.000 0.655 475 G HN 2.343 nan 8.290 nan 0.000 0.533 476 A N 0.103 122.923 122.820 0.000 0.000 2.404 476 A HA 0.790 5.110 4.320 -0.000 0.000 0.273 476 A C 0.873 178.459 177.584 0.003 0.000 1.144 476 A CA 0.977 53.022 52.037 0.014 0.000 0.806 476 A CB 0.412 19.424 19.000 0.022 0.000 1.080 476 A HN 2.040 nan 8.150 nan 0.000 0.509 477 A N 3.062 125.886 122.820 0.008 0.000 2.340 477 A HA 0.594 4.914 4.320 -0.000 0.000 0.268 477 A C 0.917 178.523 177.584 0.036 0.000 1.100 477 A CA 0.201 52.231 52.037 -0.013 0.000 0.803 477 A CB 0.082 19.062 19.000 -0.034 0.000 1.043 477 A HN 1.808 nan 8.150 nan 0.000 0.488 478 S N 2.345 118.058 115.700 0.022 0.000 2.614 478 S HA 0.169 4.639 4.470 -0.000 0.000 0.265 478 S C 0.096 174.773 174.600 0.128 0.000 1.303 478 S CA -0.497 57.732 58.200 0.049 0.000 1.000 478 S CB -0.054 63.159 63.200 0.021 0.000 0.935 478 S HN 0.733 nan 8.310 nan 0.000 0.551 479 N N 0.832 119.585 118.700 0.087 0.000 2.441 479 N HA 0.445 5.185 4.740 -0.000 0.000 0.251 479 N C -0.591 175.010 175.510 0.151 0.000 1.242 479 N CA 0.238 53.322 53.050 0.056 0.000 0.898 479 N CB 0.111 38.601 38.487 0.004 0.000 1.100 479 N HN 0.656 nan 8.380 nan 0.000 0.443 480 F N -2.385 117.514 119.950 -0.085 0.000 2.713 480 F HA 0.471 4.998 4.527 -0.000 0.000 0.311 480 F C -1.115 174.641 175.800 -0.074 0.000 1.141 480 F CA -1.154 56.802 58.000 -0.073 0.000 0.939 480 F CB 0.817 39.767 39.000 -0.083 0.000 1.325 480 F HN 0.097 nan 8.300 nan 0.000 0.453 481 T N 3.112 117.712 114.554 0.077 0.000 2.795 481 T HA 0.546 4.896 4.350 -0.000 0.000 0.282 481 T C -1.083 173.690 174.700 0.121 0.000 0.980 481 T CA -0.328 61.764 62.100 -0.013 0.000 1.012 481 T CB 1.362 70.250 68.868 0.033 0.000 0.936 481 T HN 0.705 nan 8.240 nan 0.000 0.457 482 L N 4.124 125.349 121.223 0.003 0.000 2.264 482 L HA 0.678 5.017 4.340 -0.000 0.000 0.287 482 L C 0.493 177.402 176.870 0.065 0.000 1.039 482 L CA -0.528 54.379 54.840 0.112 0.000 0.829 482 L CB -0.199 41.886 42.059 0.042 0.000 1.211 482 L HN 0.827 nan 8.230 nan 0.000 0.427 483 A N 4.323 127.197 122.820 0.089 0.000 2.536 483 A HA 0.474 4.794 4.320 -0.000 0.000 0.234 483 A C 0.619 178.236 177.584 0.054 0.000 1.076 483 A CA 0.306 52.381 52.037 0.063 0.000 0.769 483 A CB -0.173 18.866 19.000 0.065 0.000 1.020 483 A HN 1.165 nan 8.150 nan 0.000 0.508 484 A N 0.361 123.209 122.820 0.046 0.000 2.520 484 A HA 0.488 4.808 4.320 -0.000 0.000 0.245 484 A C 1.652 179.270 177.584 0.056 0.000 1.072 484 A CA 0.709 52.774 52.037 0.047 0.000 0.761 484 A CB -0.959 18.065 19.000 0.040 0.000 1.004 484 A HN 2.783 nan 8.150 nan 0.000 0.499 485 G N 1.910 110.751 108.800 0.067 0.000 2.166 485 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.260 485 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.260 485 G C 0.827 175.773 174.900 0.076 0.000 0.986 485 G CA 0.752 45.901 45.100 0.081 0.000 0.683 485 G HN 1.917 nan 8.290 nan 0.000 0.527 486 G N -0.804 108.038 108.800 0.071 0.000 2.442 486 G HA2 0.566 4.526 3.960 -0.000 0.000 0.249 486 G HA3 0.566 4.526 3.960 -0.000 0.000 0.249 486 G C -0.130 174.801 174.900 0.053 0.000 1.263 486 G CA 0.830 45.967 45.100 0.062 0.000 0.846 486 G HN 0.729 nan 8.290 nan 0.000 0.555 487 T N 0.227 114.786 114.554 0.009 0.000 2.991 487 T HA 0.657 5.007 4.350 -0.000 0.000 0.303 487 T C -0.344 174.266 174.700 -0.149 0.000 1.015 487 T CA -0.039 62.037 62.100 -0.040 0.000 1.007 487 T CB 1.722 70.578 68.868 -0.019 0.000 1.034 487 T HN 1.095 nan 8.240 nan 0.000 0.446 488 A N 2.372 125.001 122.820 -0.319 0.000 2.475 488 A HA 0.909 5.229 4.320 -0.000 0.000 0.301 488 A C -1.320 175.697 177.584 -0.946 0.000 1.059 488 A CA -0.723 50.931 52.037 -0.638 0.000 0.710 488 A CB 1.654 20.185 19.000 -0.781 0.000 1.288 488 A HN 0.665 nan 8.150 nan 0.000 0.408 489 V N 2.147 121.492 119.914 -0.949 0.000 2.577 489 V HA 0.565 4.685 4.120 -0.000 0.000 0.303 489 V C -1.154 174.515 176.094 -0.710 0.000 1.042 489 V CA -0.518 61.344 62.300 -0.731 0.000 0.872 489 V CB 1.460 33.068 31.823 -0.359 0.000 0.998 489 V HN 0.838 nan 8.190 nan 0.000 0.423 490 W N 3.802 125.041 121.300 -0.103 0.000 2.761 490 W HA 0.782 5.442 4.660 -0.000 0.000 0.340 490 W C -0.220 176.231 176.519 -0.112 0.000 1.072 490 W CA -0.616 56.670 57.345 -0.097 0.000 1.215 490 W CB 2.113 31.457 29.460 -0.192 0.000 1.420 490 W HN 0.738 nan 8.180 nan 0.000 0.519 491 Q N 1.008 120.913 119.800 0.174 0.000 2.590 491 Q HA 0.678 5.018 4.340 -0.000 0.000 0.295 491 Q C -2.290 173.867 176.000 0.262 0.000 0.973 491 Q CA -1.080 54.799 55.803 0.126 0.000 0.768 491 Q CB 3.431 32.219 28.738 0.082 0.000 1.479 491 Q HN 0.384 nan 8.270 nan 0.000 0.419 492 Y N 0.391 120.738 120.300 0.080 0.000 2.442 492 Y HA 0.570 5.120 4.550 -0.000 0.000 0.330 492 Y C -1.889 174.058 175.900 0.077 0.000 1.100 492 Y CA 0.007 58.184 58.100 0.129 0.000 1.034 492 Y CB 2.351 40.899 38.460 0.146 0.000 1.285 492 Y HN 0.945 nan 8.280 nan 0.000 0.440 493 T N 2.691 116.884 114.554 -0.601 0.000 2.876 493 T HA 1.003 5.353 4.350 -0.000 0.000 0.289 493 T C -0.873 173.413 174.700 -0.689 0.000 1.014 493 T CA -0.255 61.535 62.100 -0.516 0.000 0.986 493 T CB 1.689 70.429 68.868 -0.213 0.000 1.021 493 T HN 1.373 nan 8.240 nan 0.000 0.458 494 A N 1.479 124.027 122.820 -0.454 0.000 2.612 494 A HA 0.922 5.241 4.320 -0.000 0.000 0.293 494 A C -0.145 177.370 177.584 -0.116 0.000 1.075 494 A CA -0.748 51.126 52.037 -0.272 0.000 0.680 494 A CB 0.856 19.723 19.000 -0.222 0.000 1.279 494 A HN 1.720 nan 8.150 nan 0.000 0.411 495 A N 0.638 123.420 122.820 -0.062 0.000 2.511 495 A HA 0.536 4.856 4.320 -0.000 0.000 0.242 495 A C 0.482 178.052 177.584 -0.024 0.000 1.069 495 A CA 0.709 52.725 52.037 -0.035 0.000 0.763 495 A CB -0.486 18.503 19.000 -0.019 0.000 1.001 495 A HN 0.941 nan 8.150 nan 0.000 0.498 496 T N 2.184 116.720 114.554 -0.031 0.000 2.799 496 T HA 0.481 4.831 4.350 -0.000 0.000 0.286 496 T C 1.235 175.916 174.700 -0.032 0.000 0.973 496 T CA 0.269 62.344 62.100 -0.043 0.000 1.035 496 T CB 1.648 70.466 68.868 -0.083 0.000 0.932 496 T HN 0.862 nan 8.240 nan 0.000 0.469 497 A N 2.712 125.521 122.820 -0.019 0.000 2.063 497 A HA 0.245 4.564 4.320 -0.000 0.000 0.211 497 A C 1.442 179.034 177.584 0.013 0.000 1.177 497 A CA 0.270 52.309 52.037 0.003 0.000 0.759 497 A CB -0.120 18.887 19.000 0.012 0.000 0.857 497 A HN 0.763 nan 8.150 nan 0.000 0.468 498 T N -1.449 113.102 114.554 -0.005 0.000 2.902 498 T HA 0.572 4.922 4.350 -0.000 0.000 0.283 498 T C -3.204 171.504 174.700 0.014 0.000 1.009 498 T CA -2.444 59.666 62.100 0.016 0.000 1.051 498 T CB 1.403 70.274 68.868 0.004 0.000 0.999 498 T HN -0.064 nan 8.240 nan 0.000 0.474 499 P HA 0.272 nan 4.420 nan 0.000 0.267 499 P C -0.716 176.638 177.300 0.089 0.000 1.209 499 P CA -0.062 63.143 63.100 0.175 0.000 0.763 499 P CB 0.241 32.125 31.700 0.308 0.000 0.816 500 T N 4.546 119.096 114.554 -0.007 0.000 2.890 500 T HA 0.443 4.793 4.350 -0.000 0.000 0.295 500 T C 0.214 174.969 174.700 0.091 0.000 0.993 500 T CA -0.421 61.644 62.100 -0.057 0.000 0.979 500 T CB 0.459 69.102 68.868 -0.374 0.000 0.967 500 T HN 0.181 nan 8.240 nan 0.000 0.441 501 I N 2.630 123.325 120.570 0.209 0.000 2.416 501 I HA 0.340 4.510 4.170 -0.000 0.000 0.288 501 I C 1.374 177.632 176.117 0.233 0.000 1.051 501 I CA 0.026 61.469 61.300 0.238 0.000 1.375 501 I CB 1.209 39.309 38.000 0.166 0.000 1.407 501 I HN 0.887 nan 8.210 nan 0.000 0.516 502 G N 5.116 113.898 108.800 -0.030 0.000 2.709 502 G HA2 0.033 3.993 3.960 -0.000 0.000 0.208 502 G HA3 0.033 3.993 3.960 -0.000 0.000 0.208 502 G C 0.373 175.081 174.900 -0.320 0.000 1.129 502 G CA 0.307 45.149 45.100 -0.431 0.000 0.793 502 G HN 0.625 nan 8.290 nan 0.000 0.524 503 H N -1.203 117.612 119.070 -0.425 0.000 3.064 503 H HA 0.513 5.068 4.556 -0.000 0.000 0.352 503 H C -2.082 172.996 175.328 -0.417 0.000 1.260 503 H CA -0.284 55.607 56.048 -0.261 0.000 1.160 503 H CB 2.287 31.947 29.762 -0.169 0.000 1.879 503 H HN -0.090 nan 8.280 nan 0.000 0.544 504 V N 1.865 121.301 119.914 -0.797 0.000 2.760 504 V HA 0.684 4.804 4.120 -0.000 0.000 0.309 504 V C 0.003 175.960 176.094 -0.228 0.000 1.077 504 V CA -0.224 61.775 62.300 -0.502 0.000 0.910 504 V CB 1.893 33.283 31.823 -0.722 0.000 1.008 504 V HN 0.906 nan 8.190 nan 0.000 0.424 505 G N 4.199 113.032 108.800 0.056 0.000 2.759 505 G HA2 0.737 4.697 3.960 -0.000 0.000 0.297 505 G HA3 0.737 4.697 3.960 -0.000 0.000 0.297 505 G C -3.374 171.640 174.900 0.191 0.000 1.434 505 G CA -1.138 44.081 45.100 0.199 0.000 0.980 505 G HN 0.474 nan 8.290 nan 0.000 0.531 506 P HA 0.235 nan 4.420 nan 0.000 0.275 506 P C 0.481 177.914 177.300 0.221 0.000 1.266 506 P CA -0.401 62.812 63.100 0.189 0.000 0.793 506 P CB 1.141 32.916 31.700 0.125 0.000 1.074 507 M N -0.994 118.649 119.600 0.072 0.000 2.428 507 M HA 0.264 4.744 4.480 -0.000 0.000 0.239 507 M C 0.661 176.641 176.300 -0.534 0.000 1.121 507 M CA 0.580 55.837 55.300 -0.072 0.000 1.019 507 M CB -0.266 32.335 32.600 0.003 0.000 1.485 507 M HN 0.426 nan 8.290 nan 0.000 0.484 508 M N 0.755 120.128 119.600 -0.377 0.000 2.284 508 M HA 0.607 5.087 4.480 -0.000 0.000 0.281 508 M C -2.159 174.035 176.300 -0.176 0.000 1.083 508 M CA -0.217 54.847 55.300 -0.393 0.000 0.965 508 M CB 2.356 34.819 32.600 -0.228 0.000 1.717 508 M HN 0.023 nan 8.290 nan 0.000 0.479 509 A N 3.689 126.441 122.820 -0.113 0.000 2.586 509 A HA 0.599 4.919 4.320 -0.000 0.000 0.291 509 A C -1.841 175.772 177.584 0.050 0.000 1.062 509 A CA -0.967 51.080 52.037 0.016 0.000 0.666 509 A CB 1.583 20.639 19.000 0.095 0.000 1.281 509 A HN 0.882 nan 8.150 nan 0.000 0.421 510 K N 0.267 120.686 120.400 0.033 0.000 2.090 510 K HA 0.658 4.978 4.320 -0.000 0.000 0.250 510 K C -2.664 173.945 176.600 0.016 0.000 1.004 510 K CA -1.514 54.787 56.287 0.025 0.000 0.919 510 K CB 0.309 32.814 32.500 0.008 0.000 1.045 510 K HN 0.269 nan 8.250 nan 0.000 0.471 511 P HA -0.020 nan 4.420 nan 0.000 0.266 511 P C 0.479 177.747 177.300 -0.055 0.000 1.195 511 P CA 1.154 64.216 63.100 -0.064 0.000 0.768 511 P CB 0.607 32.263 31.700 -0.074 0.000 0.838 512 G N 0.548 109.300 108.800 -0.080 0.000 2.279 512 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.223 512 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.223 512 G C 0.119 174.996 174.900 -0.038 0.000 1.015 512 G CA -0.098 44.967 45.100 -0.058 0.000 0.621 512 G HN 0.543 nan 8.290 nan 0.000 0.506 513 V N 2.232 122.137 119.914 -0.016 0.000 2.811 513 V HA 0.477 4.597 4.120 -0.000 0.000 0.302 513 V C 0.988 177.087 176.094 0.009 0.000 1.063 513 V CA 0.723 63.027 62.300 0.007 0.000 1.088 513 V CB 1.453 33.299 31.823 0.038 0.000 0.982 513 V HN 0.340 nan 8.190 nan 0.000 0.485 514 T N 5.989 120.548 114.554 0.009 0.000 2.771 514 T HA 0.570 4.920 4.350 -0.000 0.000 0.291 514 T C -0.089 174.634 174.700 0.037 0.000 0.954 514 T CA -0.051 62.055 62.100 0.010 0.000 1.045 514 T CB 0.463 69.328 68.868 -0.005 0.000 0.917 514 T HN 0.608 nan 8.240 nan 0.000 0.484 515 I N -0.029 120.565 120.570 0.040 0.000 2.750 515 I HA 0.742 4.912 4.170 -0.000 0.000 0.308 515 I C -0.475 175.641 176.117 -0.002 0.000 1.016 515 I CA -0.782 60.549 61.300 0.052 0.000 1.098 515 I CB 2.147 40.184 38.000 0.061 0.000 1.279 515 I HN 0.322 nan 8.210 nan 0.000 0.454 516 T N 5.697 120.254 114.554 0.004 0.000 2.770 516 T HA 0.582 4.932 4.350 -0.000 0.000 0.283 516 T C -0.222 174.439 174.700 -0.065 0.000 0.988 516 T CA -0.184 61.901 62.100 -0.025 0.000 0.957 516 T CB 0.905 69.784 68.868 0.018 0.000 0.930 516 T HN 0.382 nan 8.240 nan 0.000 0.443 517 I N 3.643 124.131 120.570 -0.137 0.000 2.355 517 I HA 0.341 4.511 4.170 -0.000 0.000 0.288 517 I C -0.308 175.781 176.117 -0.046 0.000 0.999 517 I CA -0.720 60.466 61.300 -0.190 0.000 1.163 517 I CB 1.156 38.941 38.000 -0.357 0.000 1.316 517 I HN 0.463 nan 8.210 nan 0.000 0.454 518 D N 4.755 125.150 120.400 -0.008 0.000 2.198 518 D HA 0.779 5.419 4.640 -0.000 0.000 0.247 518 D C 0.254 176.500 176.300 -0.091 0.000 1.010 518 D CA -0.009 53.997 54.000 0.010 0.000 0.880 518 D CB 2.536 43.307 40.800 -0.049 0.000 1.209 518 D HN 0.759 nan 8.370 nan 0.000 0.451 519 G N 0.494 109.169 108.800 -0.208 0.000 2.452 519 G HA2 0.282 4.242 3.960 -0.000 0.000 0.224 519 G HA3 0.282 4.242 3.960 -0.000 0.000 0.224 519 G C -1.347 173.268 174.900 -0.475 0.000 1.208 519 G CA -0.622 44.276 45.100 -0.338 0.000 0.946 519 G HN 0.294 nan 8.290 nan 0.000 0.481 520 R N -0.995 119.186 120.500 -0.531 0.000 2.774 520 R HA 0.654 4.994 4.340 -0.000 0.000 0.272 520 R C 0.587 176.577 176.300 -0.518 0.000 1.000 520 R CA -0.057 55.793 56.100 -0.417 0.000 0.906 520 R CB 1.137 31.413 30.300 -0.041 0.000 1.227 520 R HN 2.247 nan 8.270 nan 0.000 0.468 521 G N 0.895 109.519 108.800 -0.294 0.000 2.153 521 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.252 521 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.252 521 G C 0.310 175.244 174.900 0.058 0.000 0.994 521 G CA 0.300 45.338 45.100 -0.104 0.000 0.698 521 G HN 0.431 nan 8.290 nan 0.000 0.521 522 F N 0.983 120.944 119.950 0.019 0.000 2.407 522 F HA 0.367 4.894 4.527 -0.000 0.000 0.299 522 F C 2.105 178.114 175.800 0.347 0.000 1.097 522 F CA 1.224 59.252 58.000 0.048 0.000 1.422 522 F CB -0.741 38.058 39.000 -0.336 0.000 1.067 522 F HN 1.148 nan 8.300 nan 0.000 0.539 523 G N -0.170 108.872 108.800 0.403 0.000 2.796 523 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.571 523 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.571 523 G C 0.642 175.811 174.900 0.448 0.000 1.370 523 G CA -0.074 45.238 45.100 0.352 0.000 0.856 523 G HN 0.431 nan 8.290 nan 0.000 0.538 524 S N -1.483 114.380 115.700 0.272 0.000 2.524 524 S HA 0.473 4.943 4.470 -0.000 0.000 0.215 524 S C 0.977 175.654 174.600 0.128 0.000 0.986 524 S CA 1.014 59.362 58.200 0.245 0.000 0.911 524 S CB 0.231 63.513 63.200 0.137 0.000 0.805 524 S HN 1.855 nan 8.310 nan 0.000 0.501 525 S N 1.481 117.155 115.700 -0.043 0.000 2.525 525 S HA 0.494 4.964 4.470 -0.000 0.000 0.290 525 S C -0.511 173.614 174.600 -0.791 0.000 1.152 525 S CA -0.988 57.055 58.200 -0.261 0.000 1.072 525 S CB 1.162 64.252 63.200 -0.183 0.000 1.027 525 S HN 0.212 nan 8.310 nan 0.000 0.500 526 K N 1.140 121.053 120.400 -0.811 0.000 2.524 526 K HA 0.209 4.529 4.320 -0.000 0.000 0.279 526 K C 0.843 176.691 176.600 -1.253 0.000 0.993 526 K CA 0.387 55.940 56.287 -1.224 0.000 1.030 526 K CB 0.181 32.377 32.500 -0.506 0.000 0.891 526 K HN 0.833 nan 8.250 nan 0.000 0.488 527 G N 1.523 109.184 108.800 -1.897 0.000 3.247 527 G HA2 0.367 4.327 3.960 -0.000 0.000 0.163 527 G HA3 0.367 4.327 3.960 -0.000 0.000 0.163 527 G C -0.860 173.806 174.900 -0.390 0.000 1.206 527 G CA -0.237 44.340 45.100 -0.871 0.000 0.918 527 G HN 0.508 nan 8.290 nan 0.000 0.625 528 T N -0.425 114.089 114.554 -0.065 0.000 2.900 528 T HA 0.582 4.932 4.350 -0.000 0.000 0.295 528 T C -1.119 173.565 174.700 -0.026 0.000 1.044 528 T CA -0.275 61.769 62.100 -0.093 0.000 0.995 528 T CB 2.191 70.918 68.868 -0.235 0.000 1.072 528 T HN 0.315 nan 8.240 nan 0.000 0.473 529 V N 2.716 122.541 119.914 -0.148 0.000 2.495 529 V HA 0.504 4.623 4.120 -0.000 0.000 0.298 529 V C -1.397 174.539 176.094 -0.264 0.000 1.031 529 V CA -0.859 61.363 62.300 -0.130 0.000 0.871 529 V CB 1.193 32.975 31.823 -0.067 0.000 0.988 529 V HN 0.821 nan 8.190 nan 0.000 0.432 530 Y N 3.749 123.990 120.300 -0.098 0.000 2.352 530 Y HA 0.614 5.164 4.550 -0.000 0.000 0.339 530 Y C -0.428 175.368 175.900 -0.172 0.000 0.992 530 Y CA -0.819 57.263 58.100 -0.031 0.000 1.100 530 Y CB 1.616 40.070 38.460 -0.010 0.000 1.192 530 Y HN 0.518 nan 8.280 nan 0.000 0.458 531 F N 2.625 122.603 119.950 0.046 0.000 2.307 531 F HA 0.541 5.068 4.527 -0.000 0.000 0.369 531 F C 0.918 176.785 175.800 0.111 0.000 1.076 531 F CA -0.324 57.653 58.000 -0.040 0.000 1.149 531 F CB 0.791 39.625 39.000 -0.277 0.000 1.410 531 F HN 0.802 nan 8.300 nan 0.000 0.481 532 G N 2.184 111.196 108.800 0.353 0.000 2.536 532 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.277 532 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.277 532 G C 1.085 176.145 174.900 0.266 0.000 1.155 532 G CA 0.409 45.736 45.100 0.378 0.000 0.960 532 G HN 0.690 nan 8.290 nan 0.000 0.544 533 T N -1.680 113.027 114.554 0.255 0.000 3.044 533 T HA 0.395 4.745 4.350 -0.000 0.000 0.250 533 T C 1.134 175.998 174.700 0.273 0.000 1.081 533 T CA 1.460 63.694 62.100 0.222 0.000 1.040 533 T CB 0.069 69.028 68.868 0.151 0.000 0.962 533 T HN 0.814 nan 8.240 nan 0.000 0.506 534 T N 3.348 118.043 114.554 0.234 0.000 2.853 534 T HA 0.564 4.914 4.350 -0.000 0.000 0.298 534 T C 0.223 175.003 174.700 0.133 0.000 0.978 534 T CA -0.301 61.889 62.100 0.151 0.000 1.152 534 T CB 0.628 69.540 68.868 0.073 0.000 0.914 534 T HN 0.542 nan 8.240 nan 0.000 0.539 535 A N 3.506 126.336 122.820 0.017 0.000 2.301 535 A HA 0.698 5.018 4.320 -0.000 0.000 0.312 535 A C -0.409 177.080 177.584 -0.157 0.000 1.182 535 A CA -0.618 51.285 52.037 -0.224 0.000 0.826 535 A CB 0.792 19.636 19.000 -0.259 0.000 1.134 535 A HN 0.674 nan 8.150 nan 0.000 0.501 536 V N 2.254 122.057 119.914 -0.186 0.000 2.588 536 V HA 0.743 4.863 4.120 -0.000 0.000 0.304 536 V C 0.054 176.079 176.094 -0.114 0.000 1.042 536 V CA 0.162 62.403 62.300 -0.099 0.000 0.877 536 V CB 1.542 33.359 31.823 -0.010 0.000 0.996 536 V HN 1.346 nan 8.190 nan 0.000 0.425 537 S N 2.604 118.248 115.700 -0.094 0.000 2.672 537 S HA 0.958 5.428 4.470 -0.000 0.000 0.271 537 S C 0.155 174.710 174.600 -0.075 0.000 1.171 537 S CA 0.175 58.319 58.200 -0.094 0.000 0.817 537 S CB 1.456 64.581 63.200 -0.125 0.000 1.150 537 S HN 2.219 nan 8.310 nan 0.000 0.478 538 G N 1.334 110.084 108.800 -0.083 0.000 2.527 538 G HA2 0.046 4.006 3.960 -0.000 0.000 0.268 538 G HA3 0.046 4.006 3.960 -0.000 0.000 0.268 538 G C 1.112 175.985 174.900 -0.046 0.000 1.175 538 G CA 1.103 46.163 45.100 -0.067 0.000 0.962 538 G HN 1.982 nan 8.290 nan 0.000 0.560 539 A N -1.001 121.795 122.820 -0.040 0.000 1.940 539 A HA 0.022 4.342 4.320 -0.000 0.000 0.219 539 A C 1.974 179.543 177.584 -0.025 0.000 1.176 539 A CA 2.652 54.671 52.037 -0.030 0.000 0.631 539 A CB -0.606 18.376 19.000 -0.030 0.000 0.814 539 A HN 0.682 nan 8.150 nan 0.000 0.446 540 D N -0.340 120.040 120.400 -0.032 0.000 2.263 540 D HA -0.027 4.613 4.640 -0.000 0.000 0.208 540 D C 0.496 176.788 176.300 -0.013 0.000 0.971 540 D CA 0.604 54.584 54.000 -0.034 0.000 0.867 540 D CB -0.225 40.541 40.800 -0.057 0.000 0.929 540 D HN 0.468 nan 8.370 nan 0.000 0.492 541 I N 1.612 122.185 120.570 0.006 0.000 2.278 541 I HA -0.026 4.144 4.170 -0.000 0.000 0.296 541 I C 1.779 177.921 176.117 0.043 0.000 1.121 541 I CA -0.064 61.264 61.300 0.046 0.000 1.267 541 I CB 0.932 38.989 38.000 0.095 0.000 1.447 541 I HN -0.074 nan 8.210 nan 0.000 0.509 542 T N 1.231 115.802 114.554 0.027 0.000 2.915 542 T HA -0.034 4.316 4.350 -0.000 0.000 0.269 542 T C 0.666 175.389 174.700 0.039 0.000 1.071 542 T CA 0.784 62.896 62.100 0.021 0.000 1.132 542 T CB 0.011 68.881 68.868 0.003 0.000 0.878 542 T HN 0.583 nan 8.240 nan 0.000 0.479 543 S N -0.944 114.795 115.700 0.064 0.000 2.535 543 S HA 0.535 5.005 4.470 -0.000 0.000 0.272 543 S C -1.971 172.726 174.600 0.161 0.000 1.149 543 S CA -1.070 57.184 58.200 0.090 0.000 0.888 543 S CB 1.529 64.755 63.200 0.045 0.000 1.110 543 S HN 0.469 nan 8.310 nan 0.000 0.463 544 W N 3.370 124.657 121.300 -0.022 0.000 3.132 544 W HA 0.528 5.188 4.660 -0.000 0.000 0.337 544 W C -1.488 175.046 176.519 0.026 0.000 1.082 544 W CA -0.495 56.840 57.345 -0.016 0.000 1.242 544 W CB 1.648 31.085 29.460 -0.037 0.000 1.354 544 W HN 1.118 nan 8.180 nan 0.000 0.461 545 E N 1.580 121.842 120.200 0.105 0.000 2.449 545 E HA 0.221 4.571 4.350 -0.000 0.000 0.278 545 E C -0.109 176.560 176.600 0.114 0.000 0.992 545 E CA -0.682 55.826 56.400 0.179 0.000 0.807 545 E CB 1.852 31.619 29.700 0.111 0.000 1.350 545 E HN 0.150 nan 8.360 nan 0.000 0.462 546 D N 0.126 120.616 120.400 0.149 0.000 2.172 546 D HA -0.207 4.433 4.640 -0.000 0.000 0.196 546 D C 1.558 177.804 176.300 -0.090 0.000 0.999 546 D CA 2.610 56.664 54.000 0.090 0.000 0.856 546 D CB 0.149 40.978 40.800 0.049 0.000 0.934 546 D HN 0.593 nan 8.370 nan 0.000 0.453 547 T N -3.749 110.774 114.554 -0.050 0.000 3.044 547 T HA 0.161 4.511 4.350 -0.000 0.000 0.260 547 T C 0.402 175.116 174.700 0.024 0.000 1.019 547 T CA -0.513 61.504 62.100 -0.138 0.000 0.921 547 T CB 0.406 69.225 68.868 -0.081 0.000 1.053 547 T HN 0.160 nan 8.240 nan 0.000 0.533 548 Q N 0.104 119.990 119.800 0.143 0.000 2.352 548 Q HA 0.629 4.969 4.340 -0.000 0.000 0.270 548 Q C -2.227 173.711 176.000 -0.102 0.000 1.006 548 Q CA -0.849 54.999 55.803 0.075 0.000 0.880 548 Q CB 1.999 30.738 28.738 0.003 0.000 1.392 548 Q HN 0.454 nan 8.270 nan 0.000 0.401 549 I N 2.678 123.101 120.570 -0.244 0.000 2.582 549 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 549 I C -0.932 175.071 176.117 -0.188 0.000 1.066 549 I CA -0.763 60.316 61.300 -0.368 0.000 1.053 549 I CB 2.234 39.781 38.000 -0.755 0.000 1.241 549 I HN 0.402 nan 8.210 nan 0.000 0.421 550 K N 5.296 125.641 120.400 -0.092 0.000 2.358 550 K HA 0.736 5.056 4.320 -0.000 0.000 0.260 550 K C -1.445 175.142 176.600 -0.021 0.000 0.956 550 K CA -0.669 55.589 56.287 -0.049 0.000 0.834 550 K CB 2.954 35.441 32.500 -0.023 0.000 1.102 550 K HN 0.331 nan 8.250 nan 0.000 0.431 551 V N 2.723 122.627 119.914 -0.017 0.000 2.971 551 V HA 0.373 4.493 4.120 -0.000 0.000 0.309 551 V C -1.609 174.489 176.094 0.007 0.000 1.130 551 V CA -0.923 61.383 62.300 0.010 0.000 0.964 551 V CB 2.138 33.986 31.823 0.041 0.000 1.029 551 V HN 0.670 nan 8.190 nan 0.000 0.427 552 K N 5.628 126.012 120.400 -0.027 0.000 2.174 552 K HA 0.568 4.888 4.320 -0.000 0.000 0.275 552 K C -0.496 175.998 176.600 -0.177 0.000 1.015 552 K CA -0.337 55.908 56.287 -0.070 0.000 0.933 552 K CB 1.420 33.876 32.500 -0.074 0.000 1.025 552 K HN 0.599 nan 8.250 nan 0.000 0.463 553 I N 5.420 125.856 120.570 -0.222 0.000 2.598 553 I HA 0.036 4.206 4.170 -0.000 0.000 0.284 553 I C -1.642 174.190 176.117 -0.476 0.000 1.140 553 I CA -1.716 59.280 61.300 -0.506 0.000 1.420 553 I CB 0.190 38.038 38.000 -0.253 0.000 1.387 553 I HN 0.406 nan 8.210 nan 0.000 0.553 554 P HA 0.072 nan 4.420 nan 0.000 0.274 554 P C -0.706 176.413 177.300 -0.303 0.000 1.246 554 P CA -0.560 62.293 63.100 -0.411 0.000 0.795 554 P CB 0.750 32.190 31.700 -0.434 0.000 1.006 555 A N 1.986 124.695 122.820 -0.185 0.000 2.981 555 A HA 0.404 4.724 4.320 -0.000 0.000 0.280 555 A C 0.639 178.163 177.584 -0.099 0.000 1.743 555 A CA -0.319 51.647 52.037 -0.119 0.000 1.430 555 A CB -1.436 17.519 19.000 -0.076 0.000 1.085 555 A HN 0.392 nan 8.150 nan 0.000 0.597 556 V N -1.223 118.618 119.914 -0.122 0.000 3.093 556 V HA 0.906 5.026 4.120 -0.000 0.000 0.320 556 V C 0.644 176.759 176.094 0.036 0.000 1.093 556 V CA -0.829 61.434 62.300 -0.061 0.000 1.016 556 V CB 0.935 32.650 31.823 -0.180 0.000 1.096 556 V HN 0.972 nan 8.190 nan 0.000 0.452 557 A N 0.924 123.824 122.820 0.133 0.000 2.445 557 A HA 0.594 4.914 4.320 -0.000 0.000 0.242 557 A C 0.938 178.658 177.584 0.226 0.000 1.075 557 A CA 0.335 52.463 52.037 0.153 0.000 0.777 557 A CB -0.459 18.630 19.000 0.149 0.000 1.013 557 A HN 2.019 nan 8.150 nan 0.000 0.493 558 G N -0.077 108.814 108.800 0.151 0.000 2.414 558 G HA2 0.562 4.522 3.960 -0.000 0.000 0.236 558 G HA3 0.562 4.522 3.960 -0.000 0.000 0.236 558 G C 0.439 175.445 174.900 0.177 0.000 1.293 558 G CA 0.620 45.815 45.100 0.158 0.000 0.869 558 G HN 1.930 nan 8.290 nan 0.000 0.556 559 G N 0.700 109.624 108.800 0.207 0.000 2.341 559 G HA2 0.260 4.220 3.960 -0.000 0.000 0.293 559 G HA3 0.260 4.220 3.960 -0.000 0.000 0.293 559 G C -1.312 173.609 174.900 0.034 0.000 1.298 559 G CA -0.961 44.163 45.100 0.040 0.000 0.868 559 G HN 0.791 nan 8.290 nan 0.000 0.540 560 N N -0.485 118.123 118.700 -0.154 0.000 2.426 560 N HA 0.701 5.441 4.740 -0.000 0.000 0.275 560 N C -1.372 174.022 175.510 -0.194 0.000 1.019 560 N CA -0.162 52.857 53.050 -0.052 0.000 0.941 560 N CB 0.677 39.140 38.487 -0.039 0.000 1.123 560 N HN 0.435 nan 8.380 nan 0.000 0.486 561 Y N 0.941 121.371 120.300 0.217 0.000 2.536 561 Y HA 0.446 4.996 4.550 -0.000 0.000 0.347 561 Y C -0.052 175.965 175.900 0.195 0.000 1.000 561 Y CA -1.103 57.128 58.100 0.219 0.000 1.051 561 Y CB 1.413 40.053 38.460 0.300 0.000 1.259 561 Y HN 0.432 nan 8.280 nan 0.000 0.468 562 N N 1.704 120.573 118.700 0.283 0.000 2.509 562 N HA 0.518 5.258 4.740 -0.000 0.000 0.287 562 N C -1.092 174.484 175.510 0.111 0.000 1.121 562 N CA -0.305 52.850 53.050 0.176 0.000 0.977 562 N CB 1.157 39.710 38.487 0.109 0.000 1.167 562 N HN 0.520 nan 8.380 nan 0.000 0.476 563 I N 0.703 121.299 120.570 0.043 0.000 2.530 563 I HA 0.411 4.581 4.170 -0.000 0.000 0.297 563 I C 0.052 176.135 176.117 -0.056 0.000 1.011 563 I CA -0.621 60.590 61.300 -0.148 0.000 1.107 563 I CB 1.836 39.627 38.000 -0.348 0.000 1.285 563 I HN 0.261 nan 8.210 nan 0.000 0.436 564 K N 5.063 125.424 120.400 -0.064 0.000 2.546 564 K HA 0.730 5.050 4.320 -0.000 0.000 0.264 564 K C -1.712 174.934 176.600 0.076 0.000 0.937 564 K CA -0.638 55.657 56.287 0.015 0.000 0.833 564 K CB 2.685 35.190 32.500 0.008 0.000 1.378 564 K HN 0.430 nan 8.250 nan 0.000 0.432 565 V N -0.828 119.128 119.914 0.070 0.000 3.001 565 V HA 1.003 5.123 4.120 -0.000 0.000 0.314 565 V C -1.283 174.939 176.094 0.214 0.000 1.099 565 V CA -0.643 61.720 62.300 0.106 0.000 0.989 565 V CB 1.614 33.345 31.823 -0.154 0.000 1.040 565 V HN 0.897 nan 8.190 nan 0.000 0.434 566 A N 2.593 125.595 122.820 0.302 0.000 2.393 566 A HA 0.807 5.127 4.320 -0.000 0.000 0.306 566 A C -0.283 177.477 177.584 0.294 0.000 1.050 566 A CA -0.637 51.563 52.037 0.271 0.000 0.724 566 A CB 1.216 20.394 19.000 0.297 0.000 1.248 566 A HN 1.400 nan 8.150 nan 0.000 0.424 567 N N 1.508 120.365 118.700 0.262 0.000 2.294 567 N HA 0.350 5.090 4.740 -0.000 0.000 0.248 567 N C 1.173 176.707 175.510 0.040 0.000 1.300 567 N CA 0.192 53.395 53.050 0.256 0.000 0.925 567 N CB 0.308 38.957 38.487 0.269 0.000 1.188 567 N HN 0.694 nan 8.380 nan 0.000 0.512 568 A N -0.574 122.204 122.820 -0.071 0.000 1.978 568 A HA -0.032 4.288 4.320 -0.000 0.000 0.220 568 A C 2.015 179.569 177.584 -0.049 0.000 1.170 568 A CA 2.094 54.050 52.037 -0.135 0.000 0.636 568 A CB -1.385 17.515 19.000 -0.167 0.000 0.810 568 A HN 0.899 nan 8.150 nan 0.000 0.448 569 A N -2.199 120.621 122.820 -0.000 0.000 2.238 569 A HA 0.411 4.731 4.320 -0.000 0.000 0.208 569 A C 1.815 179.414 177.584 0.026 0.000 1.177 569 A CA 1.209 53.254 52.037 0.012 0.000 0.804 569 A CB -0.776 18.239 19.000 0.025 0.000 0.823 569 A HN 1.873 nan 8.150 nan 0.000 0.482 570 G N -1.726 107.099 108.800 0.041 0.000 2.175 570 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.244 570 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.244 570 G C 0.368 175.310 174.900 0.071 0.000 0.982 570 G CA 0.299 45.434 45.100 0.058 0.000 0.641 570 G HN 0.561 nan 8.290 nan 0.000 0.527 571 T N 1.839 116.439 114.554 0.077 0.000 2.814 571 T HA 0.587 4.937 4.350 -0.000 0.000 0.297 571 T C 0.757 175.516 174.700 0.098 0.000 0.956 571 T CA 0.689 62.833 62.100 0.075 0.000 1.123 571 T CB 1.381 70.292 68.868 0.072 0.000 0.902 571 T HN 1.231 nan 8.240 nan 0.000 0.528 572 A N 3.579 126.440 122.820 0.069 0.000 2.286 572 A HA 0.701 5.021 4.320 -0.000 0.000 0.286 572 A C 0.804 178.428 177.584 0.067 0.000 1.097 572 A CA -0.720 51.358 52.037 0.067 0.000 0.821 572 A CB 0.472 19.474 19.000 0.003 0.000 1.076 572 A HN 0.865 nan 8.150 nan 0.000 0.490 573 S N 1.234 116.982 115.700 0.079 0.000 2.690 573 S HA 0.423 4.893 4.470 -0.000 0.000 0.285 573 S C 0.226 174.855 174.600 0.050 0.000 1.135 573 S CA -0.566 57.683 58.200 0.081 0.000 1.020 573 S CB 0.251 63.528 63.200 0.127 0.000 1.159 573 S HN 0.918 nan 8.310 nan 0.000 0.534 574 N N -0.254 118.479 118.700 0.054 0.000 2.381 574 N HA 0.228 4.968 4.740 -0.000 0.000 0.254 574 N C -0.645 174.904 175.510 0.065 0.000 1.264 574 N CA -0.509 52.569 53.050 0.047 0.000 0.942 574 N CB 0.100 38.617 38.487 0.050 0.000 1.190 574 N HN 0.435 nan 8.380 nan 0.000 0.495 575 V N 0.593 120.541 119.914 0.057 0.000 2.481 575 V HA 0.162 4.282 4.120 -0.000 0.000 0.286 575 V C -0.929 175.233 176.094 0.114 0.000 1.042 575 V CA -0.630 61.711 62.300 0.068 0.000 0.928 575 V CB 0.315 32.159 31.823 0.036 0.000 0.986 575 V HN 0.658 nan 8.190 nan 0.000 0.462 576 Y N 5.381 125.680 120.300 -0.001 0.000 2.328 576 Y HA 0.455 5.005 4.550 -0.000 0.000 0.333 576 Y C 0.165 176.081 175.900 0.026 0.000 0.958 576 Y CA -1.178 56.927 58.100 0.008 0.000 1.167 576 Y CB 0.884 39.335 38.460 -0.016 0.000 1.151 576 Y HN 0.845 nan 8.280 nan 0.000 0.470 577 D N 2.541 122.903 120.400 -0.063 0.000 2.529 577 D HA 0.184 4.824 4.640 -0.000 0.000 0.273 577 D C -0.087 176.253 176.300 0.066 0.000 1.197 577 D CA -0.585 53.434 54.000 0.032 0.000 1.070 577 D CB 0.788 41.574 40.800 -0.023 0.000 1.134 577 D HN 0.591 nan 8.370 nan 0.000 0.590 578 N N -2.430 116.327 118.700 0.095 0.000 2.782 578 N HA -0.227 4.513 4.740 -0.000 0.000 0.251 578 N C -1.214 174.396 175.510 0.166 0.000 1.101 578 N CA 0.198 53.303 53.050 0.091 0.000 0.764 578 N CB -1.936 36.562 38.487 0.018 0.000 1.122 578 N HN 0.434 nan 8.380 nan 0.000 0.561 579 F N 1.705 121.750 119.950 0.159 0.000 2.438 579 F HA 0.332 4.859 4.527 -0.000 0.000 0.356 579 F C 0.702 176.626 175.800 0.206 0.000 1.099 579 F CA -0.373 57.740 58.000 0.188 0.000 1.185 579 F CB 0.671 39.796 39.000 0.208 0.000 1.115 579 F HN 0.100 nan 8.300 nan 0.000 0.526 580 E N 5.781 125.671 120.200 -0.516 0.000 2.113 580 E HA 0.367 4.717 4.350 -0.000 0.000 0.273 580 E C -1.513 174.969 176.600 -0.197 0.000 0.924 580 E CA -0.711 55.566 56.400 -0.205 0.000 0.764 580 E CB 1.288 30.889 29.700 -0.165 0.000 1.104 580 E HN 0.490 nan 8.360 nan 0.000 0.406 581 V N 6.664 126.698 119.914 0.201 0.000 2.385 581 V HA 0.187 4.307 4.120 -0.000 0.000 0.269 581 V C 0.540 176.708 176.094 0.122 0.000 1.043 581 V CA -0.408 62.031 62.300 0.231 0.000 0.906 581 V CB 0.726 32.739 31.823 0.317 0.000 0.995 581 V HN 0.703 nan 8.190 nan 0.000 0.467 582 L N 3.516 124.771 121.223 0.053 0.000 2.472 582 L HA 0.227 4.567 4.340 -0.000 0.000 0.260 582 L C 1.505 178.400 176.870 0.041 0.000 1.209 582 L CA 0.001 54.858 54.840 0.029 0.000 0.817 582 L CB 0.689 42.749 42.059 0.001 0.000 1.106 582 L HN 0.607 nan 8.230 nan 0.000 0.479 583 S N -0.153 115.565 115.700 0.030 0.000 2.562 583 S HA 0.254 4.724 4.470 -0.000 0.000 0.221 583 S C 0.454 175.064 174.600 0.016 0.000 0.975 583 S CA 0.521 58.738 58.200 0.028 0.000 0.918 583 S CB 0.137 63.350 63.200 0.022 0.000 0.772 583 S HN 0.928 nan 8.310 nan 0.000 0.531 584 G N 0.564 109.370 108.800 0.011 0.000 2.352 584 G HA2 0.114 4.074 3.960 -0.000 0.000 0.283 584 G HA3 0.114 4.074 3.960 -0.000 0.000 0.283 584 G C -2.216 172.684 174.900 0.000 0.000 1.308 584 G CA -0.981 44.121 45.100 0.004 0.000 0.892 584 G HN 0.081 nan 8.290 nan 0.000 0.504 585 D N 0.857 121.255 120.400 -0.002 0.000 2.378 585 D HA 0.333 4.973 4.640 -0.000 0.000 0.238 585 D C 0.115 176.413 176.300 -0.004 0.000 1.180 585 D CA 0.515 54.511 54.000 -0.008 0.000 0.895 585 D CB 0.681 41.476 40.800 -0.008 0.000 1.192 585 D HN 0.332 nan 8.370 nan 0.000 0.438 586 Q N 0.080 119.873 119.800 -0.012 0.000 2.348 586 Q HA 0.598 4.938 4.340 -0.000 0.000 0.271 586 Q C -0.372 175.636 176.000 0.014 0.000 1.067 586 Q CA -1.030 54.774 55.803 0.001 0.000 0.839 586 Q CB 2.434 31.163 28.738 -0.016 0.000 1.354 586 Q HN 0.341 nan 8.270 nan 0.000 0.447 587 V N -2.362 117.583 119.914 0.052 0.000 2.925 587 V HA 0.665 4.785 4.120 -0.000 0.000 0.311 587 V C -0.373 175.796 176.094 0.124 0.000 1.104 587 V CA -0.943 61.408 62.300 0.085 0.000 0.954 587 V CB 1.936 33.817 31.823 0.098 0.000 1.022 587 V HN 0.702 nan 8.190 nan 0.000 0.427 588 S N 1.807 117.609 115.700 0.171 0.000 2.475 588 S HA 0.740 5.209 4.470 -0.000 0.000 0.281 588 S C -0.576 174.149 174.600 0.207 0.000 1.198 588 S CA -0.315 58.021 58.200 0.228 0.000 1.063 588 S CB 0.728 64.161 63.200 0.389 0.000 0.972 588 S HN 0.878 nan 8.310 nan 0.000 0.486 589 V N 5.962 125.989 119.914 0.188 0.000 2.656 589 V HA 0.531 4.651 4.120 -0.000 0.000 0.307 589 V C 0.053 176.184 176.094 0.061 0.000 1.051 589 V CA -1.003 61.336 62.300 0.064 0.000 0.893 589 V CB 1.892 33.687 31.823 -0.047 0.000 0.999 589 V HN 0.870 nan 8.190 nan 0.000 0.426 590 R N 3.324 123.812 120.500 -0.020 0.000 2.229 590 R HA 0.513 4.852 4.340 -0.000 0.000 0.328 590 R C -1.580 174.661 176.300 -0.097 0.000 1.009 590 R CA -0.283 55.860 56.100 0.072 0.000 0.864 590 R CB 0.523 30.900 30.300 0.128 0.000 1.085 590 R HN 0.498 nan 8.270 nan 0.000 0.453 591 F N 3.890 123.847 119.950 0.011 0.000 2.420 591 F HA 0.399 4.926 4.527 -0.000 0.000 0.342 591 F C -0.197 175.625 175.800 0.036 0.000 1.113 591 F CA -0.572 57.415 58.000 -0.022 0.000 1.059 591 F CB 1.983 40.990 39.000 0.012 0.000 1.128 591 F HN 0.115 nan 8.300 nan 0.000 0.475 592 V N 4.185 124.152 119.914 0.087 0.000 2.638 592 V HA 0.521 4.641 4.120 -0.000 0.000 0.306 592 V C -1.016 174.992 176.094 -0.143 0.000 1.052 592 V CA -0.914 61.322 62.300 -0.106 0.000 0.885 592 V CB 1.988 33.564 31.823 -0.411 0.000 0.999 592 V HN 0.517 nan 8.190 nan 0.000 0.424 593 V N 5.622 125.391 119.914 -0.241 0.000 2.444 593 V HA 0.555 4.675 4.120 -0.000 0.000 0.294 593 V C -0.310 175.712 176.094 -0.121 0.000 1.022 593 V CA -0.422 61.661 62.300 -0.363 0.000 0.850 593 V CB 1.735 32.983 31.823 -0.958 0.000 0.992 593 V HN 0.957 nan 8.190 nan 0.000 0.426 594 N N 5.223 123.891 118.700 -0.054 0.000 2.509 594 N HA 0.333 5.073 4.740 -0.000 0.000 0.287 594 N C -0.405 175.131 175.510 0.044 0.000 1.121 594 N CA -0.369 52.684 53.050 0.004 0.000 0.977 594 N CB 0.789 39.282 38.487 0.009 0.000 1.167 594 N HN 0.778 nan 8.380 nan 0.000 0.476 595 N N -0.331 118.371 118.700 0.004 0.000 2.696 595 N HA -0.189 4.551 4.740 -0.000 0.000 0.256 595 N C -1.021 174.446 175.510 -0.071 0.000 1.031 595 N CA 0.431 53.464 53.050 -0.029 0.000 0.730 595 N CB -1.223 37.276 38.487 0.021 0.000 0.894 595 N HN 0.641 nan 8.380 nan 0.000 0.544 596 A N 0.263 122.997 122.820 -0.143 0.000 2.801 596 A HA 0.473 4.793 4.320 -0.000 0.000 0.344 596 A C 0.834 178.228 177.584 -0.316 0.000 1.322 596 A CA -0.236 51.542 52.037 -0.432 0.000 0.913 596 A CB 0.181 18.890 19.000 -0.484 0.000 1.140 596 A HN 0.341 nan 8.150 nan 0.000 0.487 597 T N 0.315 114.690 114.554 -0.298 0.000 2.907 597 T HA 0.588 4.938 4.350 -0.000 0.000 0.298 597 T C 0.376 175.080 174.700 0.006 0.000 1.017 597 T CA 0.355 62.420 62.100 -0.059 0.000 1.118 597 T CB 0.896 69.760 68.868 -0.006 0.000 0.948 597 T HN 0.888 nan 8.240 nan 0.000 0.531 598 T N -0.823 113.902 114.554 0.285 0.000 2.838 598 T HA 0.792 5.142 4.350 -0.000 0.000 0.292 598 T C -0.302 174.481 174.700 0.137 0.000 1.113 598 T CA -0.904 61.288 62.100 0.155 0.000 1.008 598 T CB 1.382 70.388 68.868 0.231 0.000 1.259 598 T HN 1.078 nan 8.240 nan 0.000 0.520 599 A N 0.805 123.668 122.820 0.072 0.000 2.282 599 A HA 0.735 5.055 4.320 -0.000 0.000 0.319 599 A C 0.172 177.783 177.584 0.046 0.000 1.121 599 A CA -0.973 51.093 52.037 0.048 0.000 0.836 599 A CB 0.234 19.253 19.000 0.033 0.000 1.146 599 A HN 0.949 nan 8.150 nan 0.000 0.494 600 L N 0.994 122.230 121.223 0.021 0.000 2.559 600 L HA 0.244 4.584 4.340 -0.000 0.000 0.282 600 L C 1.590 178.482 176.870 0.036 0.000 1.232 600 L CA 1.686 56.535 54.840 0.015 0.000 0.885 600 L CB 0.272 42.331 42.059 -0.001 0.000 1.131 600 L HN 1.297 nan 8.230 nan 0.000 0.498 601 G N 2.278 111.109 108.800 0.050 0.000 2.205 601 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.261 601 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.261 601 G C 0.205 175.154 174.900 0.081 0.000 0.980 601 G CA 0.438 45.575 45.100 0.062 0.000 0.632 601 G HN 0.630 nan 8.290 nan 0.000 0.533 602 Q N 0.629 120.481 119.800 0.086 0.000 2.271 602 Q HA 0.581 4.921 4.340 -0.000 0.000 0.258 602 Q C -0.503 175.564 176.000 0.111 0.000 0.936 602 Q CA -0.752 55.099 55.803 0.081 0.000 0.909 602 Q CB 0.546 29.311 28.738 0.045 0.000 1.253 602 Q HN 0.348 nan 8.270 nan 0.000 0.440 603 N N 1.963 120.719 118.700 0.094 0.000 2.312 603 N HA 0.409 5.149 4.740 -0.000 0.000 0.296 603 N C -1.350 173.987 175.510 -0.288 0.000 1.193 603 N CA -0.467 52.559 53.050 -0.040 0.000 0.773 603 N CB 2.165 40.669 38.487 0.028 0.000 1.435 603 N HN 0.324 nan 8.380 nan 0.000 0.484 604 V N 2.066 121.435 119.914 -0.908 0.000 2.509 604 V HA 0.382 4.502 4.120 -0.000 0.000 0.284 604 V C -0.826 175.002 176.094 -0.443 0.000 1.047 604 V CA -0.084 61.788 62.300 -0.713 0.000 0.952 604 V CB 0.137 31.181 31.823 -1.298 0.000 0.988 604 V HN 0.511 nan 8.190 nan 0.000 0.469 605 Y N 3.796 123.998 120.300 -0.164 0.000 2.662 605 Y HA 0.776 5.325 4.550 -0.000 0.000 0.335 605 Y C -0.308 175.571 175.900 -0.035 0.000 1.066 605 Y CA -1.191 56.831 58.100 -0.130 0.000 1.116 605 Y CB 1.836 40.197 38.460 -0.165 0.000 1.308 605 Y HN 0.520 nan 8.280 nan 0.000 0.502 606 L N 0.479 121.708 121.223 0.010 0.000 2.386 606 L HA 0.860 5.200 4.340 -0.000 0.000 0.271 606 L C -0.698 176.024 176.870 -0.247 0.000 0.993 606 L CA 0.047 54.745 54.840 -0.238 0.000 0.819 606 L CB 2.246 44.057 42.059 -0.414 0.000 1.294 606 L HN 0.680 nan 8.230 nan 0.000 0.414 607 T N 2.377 116.773 114.554 -0.265 0.000 2.864 607 T HA 0.956 5.306 4.350 -0.000 0.000 0.299 607 T C -0.679 173.786 174.700 -0.392 0.000 1.166 607 T CA -0.022 61.940 62.100 -0.231 0.000 1.007 607 T CB 1.592 70.422 68.868 -0.063 0.000 1.219 607 T HN 1.153 nan 8.240 nan 0.000 0.506 608 G N 0.200 108.568 108.800 -0.720 0.000 2.428 608 G HA2 0.391 4.351 3.960 -0.000 0.000 0.304 608 G HA3 0.391 4.351 3.960 -0.000 0.000 0.304 608 G C 0.630 174.722 174.900 -1.347 0.000 1.303 608 G CA 0.290 44.673 45.100 -1.196 0.000 0.825 608 G HN 1.056 nan 8.290 nan 0.000 0.484 609 S N -1.542 113.645 115.700 -0.856 0.000 2.595 609 S HA 0.179 4.649 4.470 -0.000 0.000 0.235 609 S C 1.011 175.512 174.600 -0.165 0.000 0.974 609 S CA 1.142 59.131 58.200 -0.351 0.000 0.942 609 S CB -0.900 62.358 63.200 0.097 0.000 0.766 609 S HN 1.771 nan 8.310 nan 0.000 0.536 610 V N -1.153 118.654 119.914 -0.177 0.000 2.960 610 V HA 0.666 4.786 4.120 -0.000 0.000 0.315 610 V C 1.245 177.286 176.094 -0.087 0.000 1.087 610 V CA -0.441 61.812 62.300 -0.079 0.000 0.982 610 V CB 1.231 33.033 31.823 -0.033 0.000 1.039 610 V HN 0.213 nan 8.190 nan 0.000 0.437 611 S N 0.237 115.915 115.700 -0.035 0.000 2.419 611 S HA -0.193 4.277 4.470 -0.000 0.000 0.235 611 S C 1.299 175.878 174.600 -0.036 0.000 1.019 611 S CA 1.610 59.793 58.200 -0.028 0.000 0.982 611 S CB -0.631 62.574 63.200 0.008 0.000 0.789 611 S HN 0.893 nan 8.310 nan 0.000 0.490 612 E N 0.495 120.678 120.200 -0.028 0.000 2.338 612 E HA 0.109 4.459 4.350 -0.000 0.000 0.197 612 E C 0.984 177.555 176.600 -0.049 0.000 1.007 612 E CA 0.433 56.821 56.400 -0.020 0.000 0.849 612 E CB -0.126 29.578 29.700 0.006 0.000 0.774 612 E HN 0.350 nan 8.360 nan 0.000 0.506 613 L N -1.558 119.607 121.223 -0.097 0.000 2.808 613 L HA 0.357 4.697 4.340 -0.000 0.000 0.246 613 L C 1.262 178.031 176.870 -0.169 0.000 1.153 613 L CA 0.724 55.465 54.840 -0.165 0.000 0.956 613 L CB 0.574 42.489 42.059 -0.239 0.000 1.270 613 L HN 0.180 nan 8.230 nan 0.000 0.528 614 G N -0.307 108.424 108.800 -0.115 0.000 2.175 614 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.244 614 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.244 614 G C 0.625 175.481 174.900 -0.073 0.000 0.982 614 G CA 0.087 45.140 45.100 -0.079 0.000 0.641 614 G HN 0.219 nan 8.290 nan 0.000 0.527 615 N N -1.031 117.574 118.700 -0.158 0.000 2.714 615 N HA -0.216 4.524 4.740 -0.000 0.000 0.253 615 N C 0.880 176.418 175.510 0.046 0.000 1.024 615 N CA 1.857 54.828 53.050 -0.132 0.000 0.726 615 N CB -1.719 36.767 38.487 -0.002 0.000 0.908 615 N HN 1.290 nan 8.380 nan 0.000 0.542 616 W N -3.047 118.314 121.300 0.101 0.000 2.323 616 W HA -0.273 4.387 4.660 -0.000 0.000 0.261 616 W C 0.390 177.033 176.519 0.206 0.000 1.029 616 W CA 0.466 57.921 57.345 0.183 0.000 0.499 616 W CB -1.354 28.185 29.460 0.131 0.000 2.045 616 W HN 0.292 nan 8.180 nan 0.000 1.374 617 D N 0.464 121.018 120.400 0.257 0.000 2.365 617 D HA 0.184 4.824 4.640 -0.000 0.000 0.237 617 D C -0.975 175.382 176.300 0.096 0.000 1.190 617 D CA -2.068 52.038 54.000 0.176 0.000 0.867 617 D CB 1.185 42.041 40.800 0.094 0.000 1.050 617 D HN -0.178 nan 8.370 nan 0.000 0.491 618 P HA -0.095 nan 4.420 nan 0.000 0.219 618 P C 0.853 178.082 177.300 -0.118 0.000 1.146 618 P CA 0.901 63.956 63.100 -0.076 0.000 0.808 618 P CB 0.213 31.865 31.700 -0.080 0.000 0.779 619 A N -0.433 122.356 122.820 -0.052 0.000 2.168 619 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 619 A C 1.718 179.270 177.584 -0.053 0.000 1.152 619 A CA 1.171 53.171 52.037 -0.062 0.000 0.716 619 A CB -0.647 18.338 19.000 -0.025 0.000 0.794 619 A HN 0.178 nan 8.150 nan 0.000 0.465 620 K N -0.321 120.055 120.400 -0.039 0.000 2.478 620 K HA 0.394 4.713 4.320 -0.000 0.000 0.205 620 K C 0.255 176.835 176.600 -0.034 0.000 1.033 620 K CA 0.146 56.416 56.287 -0.027 0.000 1.091 620 K CB 0.700 33.191 32.500 -0.016 0.000 0.844 620 K HN 0.363 nan 8.250 nan 0.000 0.507 621 A N 1.521 124.304 122.820 -0.061 0.000 2.445 621 A HA 0.233 4.552 4.320 -0.000 0.000 0.242 621 A C 0.221 177.835 177.584 0.049 0.000 1.075 621 A CA -0.217 51.794 52.037 -0.044 0.000 0.777 621 A CB 0.136 19.076 19.000 -0.099 0.000 1.013 621 A HN 0.113 nan 8.150 nan 0.000 0.493 622 I N 1.528 122.100 120.570 0.002 0.000 2.441 622 I HA 0.579 4.749 4.170 -0.000 0.000 0.287 622 I C 1.013 177.056 176.117 -0.123 0.000 1.049 622 I CA 0.995 62.282 61.300 -0.023 0.000 1.381 622 I CB -0.330 37.628 38.000 -0.070 0.000 1.409 622 I HN 1.017 nan 8.210 nan 0.000 0.523 623 G N 7.927 116.572 108.800 -0.259 0.000 2.350 623 G HA2 0.169 4.129 3.960 -0.000 0.000 0.282 623 G HA3 0.169 4.129 3.960 -0.000 0.000 0.282 623 G C -3.183 171.471 174.900 -0.410 0.000 1.314 623 G CA -0.829 43.855 45.100 -0.693 0.000 0.915 623 G HN 0.422 nan 8.290 nan 0.000 0.499 624 P HA 0.399 nan 4.420 nan 0.000 0.272 624 P C 0.174 177.066 177.300 -0.680 0.000 1.223 624 P CA -0.068 62.486 63.100 -0.911 0.000 0.784 624 P CB 0.477 31.904 31.700 -0.454 0.000 0.923 625 M N 1.198 120.483 119.600 -0.524 0.000 2.202 625 M HA 0.189 4.669 4.480 -0.000 0.000 0.316 625 M C 0.157 176.526 176.300 0.115 0.000 1.138 625 M CA 0.105 55.207 55.300 -0.330 0.000 1.151 625 M CB 0.009 32.590 32.600 -0.031 0.000 1.422 625 M HN 0.252 nan 8.290 nan 0.000 0.471 626 Y N 1.212 121.485 120.300 -0.046 0.000 2.354 626 Y HA 0.280 4.830 4.550 -0.000 0.000 0.322 626 Y C 0.599 176.358 175.900 -0.235 0.000 1.253 626 Y CA -1.413 56.531 58.100 -0.260 0.000 1.272 626 Y CB 0.518 38.568 38.460 -0.685 0.000 1.255 626 Y HN 0.718 nan 8.280 nan 0.000 0.500 627 N N -1.513 117.174 118.700 -0.021 0.000 2.330 627 N HA 0.085 4.825 4.740 -0.000 0.000 0.249 627 N C -0.356 175.136 175.510 -0.030 0.000 1.413 627 N CA -0.092 52.892 53.050 -0.111 0.000 0.817 627 N CB -0.163 37.833 38.487 -0.819 0.000 1.362 627 N HN 0.622 nan 8.380 nan 0.000 0.499 628 Q N -0.290 119.547 119.800 0.062 0.000 2.622 628 Q HA 0.313 4.653 4.340 -0.000 0.000 0.208 628 Q C 1.285 177.274 176.000 -0.019 0.000 0.911 628 Q CA 0.681 56.475 55.803 -0.014 0.000 0.893 628 Q CB 0.519 29.221 28.738 -0.060 0.000 1.124 628 Q HN 0.088 nan 8.270 nan 0.000 0.634 629 V N 0.446 120.359 119.914 -0.002 0.000 2.261 629 V HA -0.164 3.956 4.120 -0.000 0.000 0.235 629 V C 2.154 178.074 176.094 -0.290 0.000 1.044 629 V CA 1.441 63.673 62.300 -0.112 0.000 1.007 629 V CB -0.724 31.046 31.823 -0.088 0.000 0.647 629 V HN 0.145 nan 8.190 nan 0.000 0.462 630 V N -1.653 117.923 119.914 -0.563 0.000 2.343 630 V HA -0.146 3.974 4.120 -0.000 0.000 0.247 630 V C 0.722 176.195 176.094 -1.035 0.000 1.051 630 V CA 1.605 63.354 62.300 -0.918 0.000 1.036 630 V CB -0.679 30.440 31.823 -1.174 0.000 0.654 630 V HN 0.515 nan 8.190 nan 0.000 0.451 631 Y N -0.354 119.556 120.300 -0.650 0.000 2.512 631 Y HA 0.617 5.167 4.550 -0.000 0.000 0.348 631 Y C -0.178 175.660 175.900 -0.103 0.000 0.990 631 Y CA -1.450 56.483 58.100 -0.278 0.000 1.033 631 Y CB 1.534 39.882 38.460 -0.187 0.000 1.259 631 Y HN 0.073 nan 8.280 nan 0.000 0.461 632 Q N 1.606 121.439 119.800 0.054 0.000 2.309 632 Q HA 0.260 4.600 4.340 -0.000 0.000 0.264 632 Q C -1.062 174.933 176.000 -0.008 0.000 1.008 632 Q CA -1.146 54.665 55.803 0.013 0.000 0.853 632 Q CB 1.989 30.718 28.738 -0.015 0.000 1.314 632 Q HN 0.800 nan 8.270 nan 0.000 0.448 633 Y N 4.134 124.304 120.300 -0.217 0.000 2.903 633 Y HA -0.062 4.488 4.550 -0.000 0.000 0.338 633 Y C -1.380 174.460 175.900 -0.099 0.000 1.265 633 Y CA -0.414 57.515 58.100 -0.285 0.000 1.532 633 Y CB 0.552 38.798 38.460 -0.356 0.000 1.293 633 Y HN 0.491 nan 8.280 nan 0.000 0.609 634 P HA 0.097 nan 4.420 nan 0.000 0.244 634 P C -1.188 175.939 177.300 -0.288 0.000 1.632 634 P CA 0.153 62.578 63.100 -1.124 0.000 0.944 634 P CB -0.056 31.093 31.700 -0.919 0.000 1.569 635 N N 0.644 119.249 118.700 -0.159 0.000 2.419 635 N HA 0.229 4.969 4.740 -0.000 0.000 0.277 635 N C -0.790 174.771 175.510 0.085 0.000 1.006 635 N CA -0.049 53.024 53.050 0.039 0.000 0.923 635 N CB 0.699 39.219 38.487 0.054 0.000 1.140 635 N HN 0.044 nan 8.380 nan 0.000 0.488 636 W N 2.121 123.403 121.300 -0.029 0.000 2.706 636 W HA 0.474 5.134 4.660 -0.000 0.000 0.346 636 W C -0.158 176.422 176.519 0.101 0.000 1.071 636 W CA -0.676 56.706 57.345 0.063 0.000 1.206 636 W CB 0.571 30.010 29.460 -0.035 0.000 1.413 636 W HN 0.410 nan 8.180 nan 0.000 0.542 637 Y N -0.136 120.308 120.300 0.240 0.000 2.588 637 Y HA 0.803 5.353 4.550 -0.000 0.000 0.343 637 Y C -2.027 174.071 175.900 0.330 0.000 1.065 637 Y CA -2.598 55.606 58.100 0.173 0.000 1.038 637 Y CB 1.574 40.087 38.460 0.088 0.000 1.297 637 Y HN 0.466 nan 8.280 nan 0.000 0.467 638 Y N 0.659 121.017 120.300 0.097 0.000 2.521 638 Y HA 0.332 4.882 4.550 -0.000 0.000 0.326 638 Y C -1.916 174.098 175.900 0.191 0.000 1.176 638 Y CA -1.533 56.550 58.100 -0.028 0.000 1.079 638 Y CB 1.754 40.139 38.460 -0.125 0.000 1.341 638 Y HN 0.801 nan 8.280 nan 0.000 0.456 639 D N 3.971 124.282 120.400 -0.149 0.000 2.274 639 D HA 0.540 5.180 4.640 -0.000 0.000 0.239 639 D C -0.835 175.512 176.300 0.078 0.000 1.104 639 D CA 0.079 54.128 54.000 0.080 0.000 0.840 639 D CB 1.864 42.753 40.800 0.149 0.000 1.100 639 D HN 0.202 nan 8.370 nan 0.000 0.477 640 V N 1.092 121.156 119.914 0.250 0.000 2.680 640 V HA 0.350 4.470 4.120 -0.000 0.000 0.309 640 V C 0.302 176.531 176.094 0.225 0.000 1.052 640 V CA -0.909 61.534 62.300 0.238 0.000 0.908 640 V CB 2.142 34.105 31.823 0.232 0.000 1.001 640 V HN 0.456 nan 8.190 nan 0.000 0.431 641 S N 2.960 118.754 115.700 0.156 0.000 2.465 641 S HA 0.655 5.125 4.470 -0.000 0.000 0.279 641 S C -0.522 174.147 174.600 0.115 0.000 1.201 641 S CA -0.439 57.830 58.200 0.115 0.000 1.053 641 S CB 0.386 63.619 63.200 0.055 0.000 0.953 641 S HN 0.966 nan 8.310 nan 0.000 0.488 642 V N 3.103 123.099 119.914 0.136 0.000 3.040 642 V HA 0.794 4.914 4.120 -0.000 0.000 0.312 642 V C -2.853 173.291 176.094 0.084 0.000 1.115 642 V CA -2.938 59.442 62.300 0.133 0.000 0.998 642 V CB 1.600 33.572 31.823 0.248 0.000 1.042 642 V HN 0.638 nan 8.190 nan 0.000 0.433 643 P HA 0.239 nan 4.420 nan 0.000 0.267 643 P C 0.045 177.354 177.300 0.015 0.000 1.209 643 P CA 0.519 63.634 63.100 0.023 0.000 0.763 643 P CB 0.584 32.290 31.700 0.010 0.000 0.816 644 A N 3.770 126.600 122.820 0.016 0.000 2.546 644 A HA 0.388 4.708 4.320 -0.000 0.000 0.243 644 A C 1.633 179.213 177.584 -0.007 0.000 1.063 644 A CA 0.693 52.738 52.037 0.013 0.000 0.757 644 A CB -1.310 17.699 19.000 0.015 0.000 0.991 644 A HN 0.875 nan 8.150 nan 0.000 0.503 645 G N 1.738 110.527 108.800 -0.017 0.000 2.175 645 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.265 645 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.265 645 G C 0.274 175.137 174.900 -0.062 0.000 0.979 645 G CA 0.972 46.052 45.100 -0.032 0.000 0.663 645 G HN 0.867 nan 8.290 nan 0.000 0.533 646 K N 0.413 120.760 120.400 -0.089 0.000 2.098 646 K HA 0.499 4.819 4.320 -0.000 0.000 0.261 646 K C -0.121 176.364 176.600 -0.191 0.000 0.987 646 K CA -0.348 55.879 56.287 -0.100 0.000 0.916 646 K CB 1.089 33.550 32.500 -0.065 0.000 1.039 646 K HN 0.070 nan 8.250 nan 0.000 0.455 647 T N 2.873 117.348 114.554 -0.132 0.000 2.743 647 T HA 0.384 4.734 4.350 -0.000 0.000 0.293 647 T C 0.144 174.789 174.700 -0.091 0.000 0.945 647 T CA -0.354 61.659 62.100 -0.144 0.000 1.030 647 T CB 0.050 68.889 68.868 -0.049 0.000 0.912 647 T HN 0.308 nan 8.240 nan 0.000 0.483 648 I N 2.568 123.064 120.570 -0.123 0.000 2.569 648 I HA 0.390 4.560 4.170 -0.000 0.000 0.296 648 I C 0.258 176.577 176.117 0.337 0.000 1.028 648 I CA -0.825 60.525 61.300 0.083 0.000 1.082 648 I CB 2.252 40.311 38.000 0.098 0.000 1.264 648 I HN 0.464 nan 8.210 nan 0.000 0.429 649 E N 5.186 125.578 120.200 0.320 0.000 2.166 649 E HA 0.580 4.930 4.350 -0.000 0.000 0.275 649 E C -1.451 175.387 176.600 0.396 0.000 0.941 649 E CA -0.542 56.081 56.400 0.372 0.000 0.784 649 E CB 2.021 31.963 29.700 0.402 0.000 1.115 649 E HN 0.404 nan 8.360 nan 0.000 0.399 650 F N 0.564 120.682 119.950 0.279 0.000 2.692 650 F HA 0.765 5.292 4.527 -0.000 0.000 0.320 650 F C -0.971 174.995 175.800 0.277 0.000 1.123 650 F CA -1.185 56.871 58.000 0.093 0.000 0.961 650 F CB 1.461 40.426 39.000 -0.059 0.000 1.383 650 F HN 0.172 nan 8.300 nan 0.000 0.483 651 K N 0.414 120.982 120.400 0.280 0.000 2.568 651 K HA 0.615 4.934 4.320 -0.000 0.000 0.273 651 K C -2.185 174.388 176.600 -0.045 0.000 0.951 651 K CA -0.527 55.914 56.287 0.258 0.000 0.854 651 K CB 2.008 34.832 32.500 0.540 0.000 1.424 651 K HN 0.601 nan 8.250 nan 0.000 0.427 652 F N 2.863 122.935 119.950 0.203 0.000 2.440 652 F HA 0.636 5.163 4.527 -0.000 0.000 0.328 652 F C -0.128 175.732 175.800 0.100 0.000 1.070 652 F CA -0.696 57.399 58.000 0.159 0.000 1.011 652 F CB 1.206 40.369 39.000 0.272 0.000 1.226 652 F HN 0.287 nan 8.300 nan 0.000 0.491 653 L N -0.779 120.632 121.223 0.314 0.000 2.469 653 L HA 0.699 5.039 4.340 -0.000 0.000 0.256 653 L C -1.628 175.342 176.870 0.165 0.000 1.006 653 L CA -1.279 53.641 54.840 0.133 0.000 0.832 653 L CB 2.269 44.065 42.059 -0.438 0.000 1.421 653 L HN 0.418 nan 8.230 nan 0.000 0.410 654 K N 1.429 121.883 120.400 0.090 0.000 2.244 654 K HA 0.623 4.943 4.320 -0.000 0.000 0.260 654 K C -1.230 175.346 176.600 -0.040 0.000 0.951 654 K CA -0.729 55.548 56.287 -0.016 0.000 0.826 654 K CB 2.262 34.702 32.500 -0.099 0.000 1.108 654 K HN 0.497 nan 8.250 nan 0.000 0.433 655 K N 2.186 122.585 120.400 -0.001 0.000 2.324 655 K HA 0.243 4.563 4.320 -0.000 0.000 0.253 655 K C -1.100 175.504 176.600 0.006 0.000 0.932 655 K CA -0.746 55.484 56.287 -0.095 0.000 0.799 655 K CB 2.265 34.519 32.500 -0.410 0.000 1.154 655 K HN 0.417 nan 8.250 nan 0.000 0.425 656 Q N 1.682 121.472 119.800 -0.017 0.000 2.337 656 Q HA 0.360 4.700 4.340 -0.000 0.000 0.264 656 Q C 0.108 176.105 176.000 -0.005 0.000 1.007 656 Q CA 0.044 55.855 55.803 0.014 0.000 0.727 656 Q CB 1.400 30.148 28.738 0.017 0.000 1.256 656 Q HN 0.849 nan 8.270 nan 0.000 0.467 657 G N 2.171 110.973 108.800 0.003 0.000 2.591 657 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.298 657 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.298 657 G C 0.476 175.349 174.900 -0.044 0.000 1.195 657 G CA 0.460 45.555 45.100 -0.008 0.000 0.989 657 G HN 1.144 nan 8.290 nan 0.000 0.551 658 S N -0.741 114.936 115.700 -0.038 0.000 2.568 658 S HA 0.480 4.950 4.470 -0.000 0.000 0.232 658 S C 0.614 175.186 174.600 -0.047 0.000 0.975 658 S CA 1.077 59.244 58.200 -0.055 0.000 0.949 658 S CB 0.422 63.602 63.200 -0.033 0.000 0.829 658 S HN 0.924 nan 8.310 nan 0.000 0.479 659 T N 2.379 116.911 114.554 -0.036 0.000 2.780 659 T HA 0.527 4.877 4.350 -0.000 0.000 0.294 659 T C -0.602 174.073 174.700 -0.041 0.000 0.949 659 T CA -0.267 61.823 62.100 -0.018 0.000 1.074 659 T CB 1.425 70.294 68.868 0.001 0.000 0.910 659 T HN 0.250 nan 8.240 nan 0.000 0.501 660 V N 3.979 123.875 119.914 -0.029 0.000 2.680 660 V HA 0.702 4.822 4.120 -0.000 0.000 0.309 660 V C -0.537 175.557 176.094 -0.000 0.000 1.052 660 V CA -0.339 61.914 62.300 -0.079 0.000 0.908 660 V CB 2.370 34.083 31.823 -0.182 0.000 1.001 660 V HN 0.926 nan 8.190 nan 0.000 0.431 661 T N 6.365 120.909 114.554 -0.017 0.000 2.815 661 T HA 0.440 4.790 4.350 -0.000 0.000 0.289 661 T C -0.988 173.801 174.700 0.149 0.000 1.000 661 T CA -0.047 62.129 62.100 0.127 0.000 0.958 661 T CB 0.612 69.569 68.868 0.148 0.000 0.944 661 T HN 0.675 nan 8.240 nan 0.000 0.442 662 W N 1.913 123.301 121.300 0.147 0.000 2.237 662 W HA 0.396 5.056 4.660 -0.000 0.000 0.335 662 W C 0.966 177.515 176.519 0.050 0.000 1.230 662 W CA -0.760 56.648 57.345 0.105 0.000 1.253 662 W CB 0.433 29.905 29.460 0.020 0.000 1.129 662 W HN 0.580 nan 8.180 nan 0.000 0.590 663 E N 0.892 121.132 120.200 0.066 0.000 2.383 663 E HA 0.310 4.660 4.350 -0.000 0.000 0.264 663 E C 0.662 177.163 176.600 -0.165 0.000 1.050 663 E CA -0.105 55.987 56.400 -0.514 0.000 0.896 663 E CB 0.621 29.883 29.700 -0.731 0.000 0.982 663 E HN 0.604 nan 8.360 nan 0.000 0.424 664 G N 1.558 110.237 108.800 -0.202 0.000 2.535 664 G HA2 0.512 4.472 3.960 -0.000 0.000 0.282 664 G HA3 0.512 4.472 3.960 -0.000 0.000 0.282 664 G C 0.344 175.146 174.900 -0.163 0.000 1.350 664 G CA 0.023 45.060 45.100 -0.105 0.000 1.039 664 G HN 0.910 nan 8.290 nan 0.000 0.509 665 G N -1.039 107.682 108.800 -0.132 0.000 2.593 665 G HA2 0.157 4.117 3.960 -0.000 0.000 0.237 665 G HA3 0.157 4.117 3.960 -0.000 0.000 0.237 665 G C 0.285 175.075 174.900 -0.184 0.000 1.312 665 G CA 0.488 45.497 45.100 -0.153 0.000 0.896 665 G HN 1.952 nan 8.290 nan 0.000 0.574 666 S N 0.236 115.811 115.700 -0.209 0.000 2.681 666 S HA 0.668 5.138 4.470 -0.000 0.000 0.299 666 S C 0.098 174.531 174.600 -0.278 0.000 1.113 666 S CA -0.712 57.363 58.200 -0.208 0.000 1.013 666 S CB 1.527 64.632 63.200 -0.158 0.000 1.076 666 S HN 0.885 nan 8.310 nan 0.000 0.534 667 N N 2.001 120.579 118.700 -0.204 0.000 2.395 667 N HA 0.077 4.817 4.740 -0.000 0.000 0.246 667 N C 0.017 175.359 175.510 -0.279 0.000 1.246 667 N CA 0.372 53.327 53.050 -0.158 0.000 0.879 667 N CB -0.103 38.411 38.487 0.045 0.000 1.098 667 N HN 0.613 nan 8.380 nan 0.000 0.444 668 H N 0.259 119.121 119.070 -0.346 0.000 2.546 668 H HA 0.411 4.966 4.556 -0.000 0.000 0.365 668 H C 0.075 175.155 175.328 -0.413 0.000 1.220 668 H CA 0.262 56.018 56.048 -0.487 0.000 1.386 668 H CB 1.005 30.165 29.762 -1.003 0.000 1.510 668 H HN 0.376 nan 8.280 nan 0.000 0.591 669 T N 1.426 116.003 114.554 0.038 0.000 2.868 669 T HA 0.466 4.816 4.350 -0.000 0.000 0.306 669 T C -1.112 173.912 174.700 0.540 0.000 1.224 669 T CA -0.757 61.510 62.100 0.277 0.000 1.012 669 T CB 1.687 70.656 68.868 0.168 0.000 1.221 669 T HN 0.559 nan 8.240 nan 0.000 0.499 670 F N -1.149 118.988 119.950 0.311 0.000 2.842 670 F HA 0.700 5.227 4.527 -0.000 0.000 0.319 670 F C -1.846 174.057 175.800 0.172 0.000 1.159 670 F CA -0.817 57.328 58.000 0.243 0.000 0.902 670 F CB 0.831 40.003 39.000 0.287 0.000 1.311 670 F HN 0.462 nan 8.300 nan 0.000 0.453 671 T N 2.600 116.993 114.554 -0.268 0.000 2.786 671 T HA 0.774 5.124 4.350 -0.000 0.000 0.283 671 T C -0.118 174.347 174.700 -0.391 0.000 0.992 671 T CA -0.123 61.741 62.100 -0.394 0.000 0.954 671 T CB 1.232 70.038 68.868 -0.104 0.000 0.934 671 T HN 0.951 nan 8.240 nan 0.000 0.440 672 A N 5.688 128.206 122.820 -0.505 0.000 2.445 672 A HA 0.575 4.895 4.320 -0.000 0.000 0.242 672 A C -2.048 175.542 177.584 0.009 0.000 1.075 672 A CA -1.115 50.856 52.037 -0.109 0.000 0.777 672 A CB -0.292 18.666 19.000 -0.070 0.000 1.013 672 A HN 0.517 nan 8.150 nan 0.000 0.493 673 P HA 0.168 nan 4.420 nan 0.000 0.272 673 P C 0.373 177.699 177.300 0.043 0.000 1.240 673 P CA -0.188 62.950 63.100 0.064 0.000 0.791 673 P CB 0.832 32.582 31.700 0.082 0.000 0.978 674 S N -0.903 114.818 115.700 0.034 0.000 2.470 674 S HA 0.056 4.526 4.470 -0.000 0.000 0.225 674 S C 0.975 175.594 174.600 0.031 0.000 1.006 674 S CA 0.575 58.790 58.200 0.025 0.000 0.934 674 S CB -0.308 62.904 63.200 0.019 0.000 0.778 674 S HN 0.805 nan 8.310 nan 0.000 0.517 675 S N -1.079 114.647 115.700 0.044 0.000 2.615 675 S HA 0.639 5.109 4.470 -0.000 0.000 0.268 675 S C -0.073 174.569 174.600 0.071 0.000 1.146 675 S CA -0.300 57.931 58.200 0.052 0.000 0.818 675 S CB 0.776 63.999 63.200 0.039 0.000 1.111 675 S HN 1.127 nan 8.310 nan 0.000 0.465 676 G N 0.775 109.629 108.800 0.090 0.000 2.645 676 G HA2 0.218 4.178 3.960 -0.000 0.000 0.239 676 G HA3 0.218 4.178 3.960 -0.000 0.000 0.239 676 G C 0.038 175.012 174.900 0.124 0.000 1.331 676 G CA 0.559 45.724 45.100 0.107 0.000 0.890 676 G HN 2.366 nan 8.290 nan 0.000 0.572 677 T N -2.584 112.040 114.554 0.117 0.000 2.905 677 T HA 1.043 5.393 4.350 -0.000 0.000 0.283 677 T C 0.113 174.863 174.700 0.082 0.000 1.031 677 T CA 0.486 62.658 62.100 0.120 0.000 1.002 677 T CB 1.849 70.799 68.868 0.136 0.000 1.200 677 T HN 2.665 nan 8.240 nan 0.000 0.560 678 A N -0.059 122.797 122.820 0.061 0.000 2.601 678 A HA 0.728 5.047 4.320 -0.000 0.000 0.291 678 A C -0.820 176.735 177.584 -0.049 0.000 1.075 678 A CA -0.920 51.127 52.037 0.017 0.000 0.671 678 A CB 1.324 20.346 19.000 0.036 0.000 1.277 678 A HN 0.910 nan 8.150 nan 0.000 0.417 679 T N 1.567 116.073 114.554 -0.080 0.000 2.890 679 T HA 0.546 4.896 4.350 -0.000 0.000 0.295 679 T C -0.721 173.861 174.700 -0.198 0.000 0.993 679 T CA -0.020 62.006 62.100 -0.123 0.000 0.979 679 T CB 0.424 69.279 68.868 -0.022 0.000 0.967 679 T HN 0.469 nan 8.240 nan 0.000 0.441 680 I N 3.651 123.996 120.570 -0.374 0.000 2.321 680 I HA 0.403 4.573 4.170 -0.000 0.000 0.291 680 I C 0.068 176.079 176.117 -0.178 0.000 0.998 680 I CA -0.799 60.284 61.300 -0.361 0.000 1.227 680 I CB 0.961 38.495 38.000 -0.776 0.000 1.368 680 I HN 0.384 nan 8.210 nan 0.000 0.466 681 N N 6.575 125.229 118.700 -0.077 0.000 2.446 681 N HA 0.544 5.284 4.740 -0.000 0.000 0.265 681 N C -0.958 174.554 175.510 0.004 0.000 0.975 681 N CA -0.166 52.854 53.050 -0.050 0.000 0.928 681 N CB 2.224 40.686 38.487 -0.041 0.000 1.160 681 N HN 0.494 nan 8.380 nan 0.000 0.495 682 V N 0.912 120.825 119.914 -0.002 0.000 3.141 682 V HA 0.681 4.801 4.120 -0.000 0.000 0.312 682 V C -0.506 175.586 176.094 -0.002 0.000 1.157 682 V CA -1.049 61.252 62.300 0.002 0.000 1.041 682 V CB 2.235 33.981 31.823 -0.127 0.000 1.071 682 V HN 0.414 nan 8.190 nan 0.000 0.441 683 N N 1.642 120.387 118.700 0.075 0.000 2.405 683 N HA 0.260 5.000 4.740 -0.000 0.000 0.299 683 N C -0.795 174.830 175.510 0.192 0.000 1.075 683 N CA -0.307 52.812 53.050 0.114 0.000 0.884 683 N CB 1.994 40.553 38.487 0.120 0.000 1.194 683 N HN 1.020 nan 8.380 nan 0.000 0.491 684 W N 2.632 123.941 121.300 0.015 0.000 2.264 684 W HA 0.026 4.686 4.660 -0.000 0.000 0.331 684 W C -0.740 175.846 176.519 0.113 0.000 1.364 684 W CA 0.198 57.579 57.345 0.061 0.000 1.253 684 W CB 0.327 29.779 29.460 -0.013 0.000 1.215 684 W HN 0.419 nan 8.180 nan 0.000 0.561 685 Q N 8.007 127.552 119.800 -0.425 0.000 2.314 685 Q HA 0.274 4.614 4.340 -0.000 0.000 0.259 685 Q C -1.858 173.927 176.000 -0.359 0.000 0.951 685 Q CA -1.760 53.885 55.803 -0.263 0.000 0.909 685 Q CB 1.710 30.318 28.738 -0.217 0.000 1.236 685 Q HN 0.219 nan 8.270 nan 0.000 0.444 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.214 63.100 0.189 0.000 0.800 686 P CB 0.000 31.833 31.700 0.221 0.000 0.726