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 1cxi_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 0.000 177.566 177.584 -0.030 0.000 1.274 1 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 1 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 2 P HA 0.256 nan 4.420 nan 0.000 0.277 2 P C -0.003 177.264 177.300 -0.055 0.000 1.240 2 P CA 0.082 63.158 63.100 -0.041 0.000 0.798 2 P CB 0.759 32.432 31.700 -0.046 0.000 0.979 3 D N 0.708 121.083 120.400 -0.042 0.000 2.190 3 D HA -0.185 4.455 4.640 -0.000 0.000 0.200 3 D C 1.097 177.342 176.300 -0.091 0.000 0.992 3 D CA 2.122 56.097 54.000 -0.042 0.000 0.854 3 D CB -1.499 39.313 40.800 0.021 0.000 0.936 3 D HN 0.453 nan 8.370 nan 0.000 0.462 4 T N -2.824 111.669 114.554 -0.101 0.000 3.148 4 T HA 0.051 4.401 4.350 -0.000 0.000 0.253 4 T C 1.007 175.615 174.700 -0.154 0.000 1.134 4 T CA -0.029 61.984 62.100 -0.144 0.000 1.051 4 T CB -0.246 68.545 68.868 -0.129 0.000 0.959 4 T HN 0.139 nan 8.240 nan 0.000 0.525 5 S N 0.485 116.103 115.700 -0.136 0.000 2.560 5 S HA 0.148 4.618 4.470 -0.000 0.000 0.284 5 S C 1.447 175.934 174.600 -0.188 0.000 1.327 5 S CA -0.373 57.744 58.200 -0.139 0.000 1.055 5 S CB 1.076 64.209 63.200 -0.113 0.000 0.868 5 S HN 0.245 nan 8.310 nan 0.000 0.506 6 V N 4.722 124.525 119.914 -0.186 0.000 2.720 6 V HA -0.089 4.031 4.120 -0.000 0.000 0.256 6 V C 2.276 178.201 176.094 -0.283 0.000 1.082 6 V CA 2.525 64.686 62.300 -0.231 0.000 1.101 6 V CB -0.806 30.902 31.823 -0.191 0.000 0.693 6 V HN 1.039 nan 8.190 nan 0.000 0.479 7 S N 0.033 115.595 115.700 -0.230 0.000 2.561 7 S HA -0.025 4.445 4.470 -0.000 0.000 0.225 7 S C 1.126 175.628 174.600 -0.163 0.000 0.977 7 S CA 0.519 58.594 58.200 -0.208 0.000 0.926 7 S CB -0.676 62.436 63.200 -0.147 0.000 0.769 7 S HN 0.629 nan 8.310 nan 0.000 0.533 8 N N 2.370 120.960 118.700 -0.182 0.000 2.605 8 N HA 0.193 4.933 4.740 -0.000 0.000 0.258 8 N C 0.408 175.823 175.510 -0.158 0.000 1.156 8 N CA -0.049 52.910 53.050 -0.152 0.000 1.008 8 N CB 0.357 38.743 38.487 -0.168 0.000 1.354 8 N HN 0.441 nan 8.380 nan 0.000 0.509 9 K N 1.514 121.893 120.400 -0.035 0.000 2.439 9 K HA -0.053 4.267 4.320 -0.000 0.000 0.197 9 K C 0.654 177.419 176.600 0.274 0.000 1.041 9 K CA 0.777 57.139 56.287 0.125 0.000 0.970 9 K CB 0.404 32.989 32.500 0.141 0.000 0.773 9 K HN 0.413 nan 8.250 nan 0.000 0.479 10 Q N 0.159 120.066 119.800 0.177 0.000 2.384 10 Q HA 0.083 4.423 4.340 -0.000 0.000 0.207 10 Q C -0.276 175.900 176.000 0.293 0.000 0.904 10 Q CA 0.251 56.217 55.803 0.273 0.000 0.933 10 Q CB 0.473 29.330 28.738 0.198 0.000 1.077 10 Q HN 0.074 nan 8.270 nan 0.000 0.522 11 N N -0.659 118.064 118.700 0.038 0.000 2.430 11 N HA 0.185 4.925 4.740 -0.000 0.000 0.290 11 N C -1.421 173.848 175.510 -0.402 0.000 1.063 11 N CA -0.318 52.547 53.050 -0.308 0.000 0.883 11 N CB 0.573 38.836 38.487 -0.372 0.000 1.465 11 N HN -0.106 nan 8.380 nan 0.000 0.493 12 F N 1.112 120.603 119.950 -0.765 0.000 2.683 12 F HA 0.291 4.818 4.527 -0.000 0.000 0.306 12 F C 1.766 177.237 175.800 -0.549 0.000 1.102 12 F CA -0.104 57.497 58.000 -0.665 0.000 1.244 12 F CB 0.548 38.986 39.000 -0.937 0.000 1.029 12 F HN 0.422 nan 8.300 nan 0.000 0.545 13 S N -0.722 114.740 115.700 -0.397 0.000 2.447 13 S HA -0.144 4.326 4.470 -0.000 0.000 0.233 13 S C 2.120 176.488 174.600 -0.387 0.000 1.006 13 S CA 1.685 59.681 58.200 -0.339 0.000 0.957 13 S CB -0.477 62.571 63.200 -0.253 0.000 0.773 13 S HN 0.521 nan 8.310 nan 0.000 0.507 14 T N -0.669 113.644 114.554 -0.402 0.000 3.107 14 T HA 0.159 4.509 4.350 -0.000 0.000 0.249 14 T C 0.109 174.642 174.700 -0.279 0.000 1.096 14 T CA -0.255 61.619 62.100 -0.377 0.000 1.012 14 T CB 0.026 68.677 68.868 -0.362 0.000 0.977 14 T HN 0.100 nan 8.240 nan 0.000 0.527 15 D N 0.657 120.906 120.400 -0.251 0.000 2.384 15 D HA 0.541 5.181 4.640 -0.000 0.000 0.250 15 D C -0.965 175.271 176.300 -0.106 0.000 1.029 15 D CA -0.534 53.362 54.000 -0.174 0.000 0.990 15 D CB 2.600 43.298 40.800 -0.170 0.000 1.175 15 D HN 0.002 nan 8.370 nan 0.000 0.532 16 V N 1.740 121.622 119.914 -0.054 0.000 2.443 16 V HA 0.315 4.435 4.120 -0.000 0.000 0.293 16 V C 0.068 176.205 176.094 0.072 0.000 1.021 16 V CA -0.631 61.660 62.300 -0.016 0.000 0.848 16 V CB 1.528 33.323 31.823 -0.047 0.000 0.998 16 V HN 0.350 nan 8.190 nan 0.000 0.424 17 I N 4.681 125.328 120.570 0.129 0.000 2.440 17 I HA 0.350 4.520 4.170 -0.000 0.000 0.294 17 I C -0.880 175.398 176.117 0.269 0.000 0.995 17 I CA -0.555 60.886 61.300 0.235 0.000 1.306 17 I CB 1.001 39.168 38.000 0.279 0.000 1.407 17 I HN 0.582 nan 8.210 nan 0.000 0.501 18 Y N 5.885 126.267 120.300 0.137 0.000 2.345 18 Y HA 0.245 4.795 4.550 -0.000 0.000 0.331 18 Y C -0.078 175.868 175.900 0.077 0.000 0.959 18 Y CA -0.584 57.568 58.100 0.085 0.000 1.204 18 Y CB 1.035 39.509 38.460 0.024 0.000 1.135 18 Y HN 0.504 nan 8.280 nan 0.000 0.477 19 Q N 6.937 126.616 119.800 -0.203 0.000 2.295 19 Q HA 0.447 4.787 4.340 -0.000 0.000 0.259 19 Q C -1.392 174.399 176.000 -0.348 0.000 0.976 19 Q CA -0.229 55.348 55.803 -0.376 0.000 0.923 19 Q CB 0.599 28.935 28.738 -0.669 0.000 1.185 19 Q HN 0.805 nan 8.270 nan 0.000 0.410 20 I N 4.013 124.365 120.570 -0.362 0.000 2.406 20 I HA 0.246 4.416 4.170 -0.000 0.000 0.290 20 I C -0.812 175.108 176.117 -0.329 0.000 0.999 20 I CA -0.826 60.246 61.300 -0.380 0.000 1.124 20 I CB 1.199 38.945 38.000 -0.424 0.000 1.289 20 I HN 0.604 nan 8.210 nan 0.000 0.441 21 F N 5.104 124.694 119.950 -0.599 0.000 2.405 21 F HA 0.157 4.684 4.527 -0.000 0.000 0.358 21 F C 1.723 177.307 175.800 -0.359 0.000 1.151 21 F CA 0.057 57.838 58.000 -0.365 0.000 1.161 21 F CB 0.801 39.679 39.000 -0.203 0.000 1.245 21 F HN 0.534 nan 8.300 nan 0.000 0.545 22 T N 1.501 115.875 114.554 -0.300 0.000 2.680 22 T HA -0.336 4.014 4.350 -0.000 0.000 0.268 22 T C 1.721 176.366 174.700 -0.091 0.000 1.033 22 T CA 2.193 64.132 62.100 -0.268 0.000 1.152 22 T CB -0.236 68.208 68.868 -0.707 0.000 0.859 22 T HN 0.614 nan 8.240 nan 0.000 0.452 23 D N 0.389 120.790 120.400 0.002 0.000 2.218 23 D HA -0.086 4.554 4.640 -0.000 0.000 0.204 23 D C 1.987 178.365 176.300 0.129 0.000 0.976 23 D CA 0.742 54.845 54.000 0.170 0.000 0.853 23 D CB 0.129 41.100 40.800 0.285 0.000 0.939 23 D HN 0.153 nan 8.370 nan 0.000 0.481 24 R N -0.708 119.840 120.500 0.080 0.000 2.393 24 R HA 0.104 4.444 4.340 -0.000 0.000 0.244 24 R C 0.930 177.254 176.300 0.040 0.000 0.920 24 R CA -0.148 55.972 56.100 0.033 0.000 1.076 24 R CB -0.285 30.035 30.300 0.033 0.000 1.119 24 R HN 0.276 nan 8.270 nan 0.000 0.524 25 F N 0.690 120.573 119.950 -0.110 0.000 2.204 25 F HA 0.258 4.785 4.527 -0.000 0.000 0.276 25 F C 0.364 176.258 175.800 0.156 0.000 1.085 25 F CA 0.289 58.293 58.000 0.007 0.000 1.160 25 F CB 0.287 39.289 39.000 0.003 0.000 1.091 25 F HN -0.210 nan 8.300 nan 0.000 0.522 26 S N -0.009 115.751 115.700 0.099 0.000 2.649 26 S HA 0.209 4.679 4.470 -0.000 0.000 0.274 26 S C -1.795 172.860 174.600 0.091 0.000 1.176 26 S CA -0.793 57.422 58.200 0.025 0.000 0.988 26 S CB 0.647 63.784 63.200 -0.104 0.000 1.071 26 S HN 0.247 nan 8.310 nan 0.000 0.478 27 D N 3.688 124.138 120.400 0.084 0.000 2.435 27 D HA 0.375 5.015 4.640 -0.000 0.000 0.230 27 D C 1.228 177.574 176.300 0.077 0.000 1.215 27 D CA 0.056 54.116 54.000 0.100 0.000 0.947 27 D CB 0.430 41.302 40.800 0.121 0.000 1.048 27 D HN 0.686 nan 8.370 nan 0.000 0.512 28 G N 3.110 111.957 108.800 0.078 0.000 2.777 28 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.211 28 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.211 28 G C 0.660 175.595 174.900 0.058 0.000 1.149 28 G CA -0.253 44.885 45.100 0.063 0.000 0.785 28 G HN 0.468 nan 8.290 nan 0.000 0.536 29 N N -0.345 118.392 118.700 0.060 0.000 2.640 29 N HA 0.329 5.069 4.740 -0.000 0.000 0.262 29 N C -2.236 173.289 175.510 0.025 0.000 1.174 29 N CA -1.868 51.208 53.050 0.042 0.000 0.791 29 N CB 2.062 40.578 38.487 0.049 0.000 1.279 29 N HN -0.236 nan 8.380 nan 0.000 0.535 30 P HA -0.056 nan 4.420 nan 0.000 0.219 30 P C 0.985 178.248 177.300 -0.061 0.000 1.146 30 P CA 0.984 64.080 63.100 -0.007 0.000 0.808 30 P CB 0.287 31.989 31.700 0.003 0.000 0.779 31 A N 0.922 123.716 122.820 -0.043 0.000 2.024 31 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 31 A C 1.732 179.264 177.584 -0.086 0.000 1.164 31 A CA 1.975 53.975 52.037 -0.062 0.000 0.643 31 A CB -1.477 17.502 19.000 -0.036 0.000 0.806 31 A HN 0.342 nan 8.150 nan 0.000 0.451 32 N N -0.212 118.444 118.700 -0.074 0.000 2.322 32 N HA 0.019 4.759 4.740 -0.000 0.000 0.194 32 N C -0.495 174.924 175.510 -0.151 0.000 1.126 32 N CA -0.215 52.778 53.050 -0.094 0.000 0.845 32 N CB -0.613 37.839 38.487 -0.057 0.000 0.976 32 N HN 0.207 nan 8.380 nan 0.000 0.475 33 N N 2.004 120.585 118.700 -0.198 0.000 2.492 33 N HA 0.219 4.959 4.740 -0.000 0.000 0.262 33 N C -2.284 172.967 175.510 -0.431 0.000 1.202 33 N CA -1.088 51.769 53.050 -0.322 0.000 0.926 33 N CB 0.247 38.381 38.487 -0.589 0.000 1.078 33 N HN 0.182 nan 8.380 nan 0.000 0.454 34 P HA 0.103 nan 4.420 nan 0.000 0.272 34 P C -0.057 177.051 177.300 -0.319 0.000 1.240 34 P CA -0.142 62.773 63.100 -0.309 0.000 0.791 34 P CB 0.534 32.034 31.700 -0.332 0.000 0.978 35 T N -2.423 112.037 114.554 -0.155 0.000 2.910 35 T HA 0.672 5.022 4.350 -0.000 0.000 0.287 35 T C 0.612 175.336 174.700 0.040 0.000 1.050 35 T CA 0.018 62.055 62.100 -0.105 0.000 1.011 35 T CB 1.243 70.041 68.868 -0.117 0.000 1.195 35 T HN 0.698 nan 8.240 nan 0.000 0.540 36 G N 1.091 109.928 108.800 0.062 0.000 2.574 36 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.286 36 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.286 36 G C 1.237 176.212 174.900 0.125 0.000 1.212 36 G CA 0.916 46.064 45.100 0.081 0.000 0.979 36 G HN 1.879 nan 8.290 nan 0.000 0.557 37 A N -0.363 122.516 122.820 0.098 0.000 2.125 37 A HA 0.373 4.692 4.320 -0.000 0.000 0.219 37 A C 2.673 180.340 177.584 0.138 0.000 1.156 37 A CA 2.749 54.847 52.037 0.102 0.000 0.671 37 A CB -0.639 18.408 19.000 0.078 0.000 0.794 37 A HN 2.214 nan 8.150 nan 0.000 0.459 38 A N -2.188 120.738 122.820 0.177 0.000 2.238 38 A HA 0.489 4.809 4.320 -0.000 0.000 0.210 38 A C 0.327 178.113 177.584 0.336 0.000 1.179 38 A CA 0.015 52.200 52.037 0.246 0.000 0.827 38 A CB -0.155 18.988 19.000 0.239 0.000 0.856 38 A HN 0.459 nan 8.150 nan 0.000 0.488 39 F N -0.272 119.737 119.950 0.098 0.000 2.532 39 F HA 0.598 5.125 4.527 -0.000 0.000 0.321 39 F C -1.346 174.490 175.800 0.061 0.000 1.089 39 F CA -1.489 56.566 58.000 0.091 0.000 0.926 39 F CB 1.900 40.928 39.000 0.046 0.000 1.168 39 F HN -0.017 nan 8.300 nan 0.000 0.459 40 D N 3.130 123.052 120.400 -0.796 0.000 2.364 40 D HA 0.247 4.887 4.640 -0.000 0.000 0.251 40 D C 0.924 176.710 176.300 -0.857 0.000 1.282 40 D CA -0.006 53.642 54.000 -0.588 0.000 0.927 40 D CB 0.988 41.624 40.800 -0.272 0.000 1.267 40 D HN 0.707 nan 8.370 nan 0.000 0.531 41 G N 1.622 109.867 108.800 -0.924 0.000 2.485 41 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.221 41 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.221 41 G C 1.340 176.121 174.900 -0.198 0.000 1.115 41 G CA 1.625 46.456 45.100 -0.448 0.000 0.751 41 G HN 0.541 nan 8.290 nan 0.000 0.567 42 T N -3.909 110.544 114.554 -0.169 0.000 3.088 42 T HA 0.033 4.383 4.350 -0.000 0.000 0.259 42 T C 1.328 175.958 174.700 -0.118 0.000 1.122 42 T CA 0.656 62.695 62.100 -0.101 0.000 1.095 42 T CB -0.556 68.270 68.868 -0.071 0.000 0.930 42 T HN 0.660 nan 8.240 nan 0.000 0.508 43 c N 1.747 120.241 118.600 -0.177 0.000 4.350 43 c HA -0.201 4.369 4.570 -0.000 0.000 0.302 43 c C 1.599 175.619 174.090 -0.117 0.000 1.390 43 c CA 0.915 57.148 56.329 -0.159 0.000 2.016 43 c CB -2.692 39.746 42.510 -0.121 0.000 1.271 43 c HN 0.790 nan 8.230 nan 0.000 0.760 44 T N -0.256 114.234 114.554 -0.107 0.000 2.939 44 T HA -0.022 4.328 4.350 -0.000 0.000 0.254 44 T C 0.801 175.455 174.700 -0.077 0.000 1.041 44 T CA 1.239 63.294 62.100 -0.076 0.000 1.142 44 T CB -0.182 68.651 68.868 -0.058 0.000 0.874 44 T HN 0.701 nan 8.240 nan 0.000 0.452 45 N N 2.161 120.807 118.700 -0.091 0.000 2.415 45 N HA 0.153 4.893 4.740 -0.000 0.000 0.246 45 N C 0.434 175.864 175.510 -0.133 0.000 1.078 45 N CA -0.166 52.834 53.050 -0.082 0.000 0.942 45 N CB 0.326 38.777 38.487 -0.061 0.000 1.140 45 N HN 0.263 nan 8.380 nan 0.000 0.501 46 L N 3.064 124.207 121.223 -0.135 0.000 2.675 46 L HA 0.063 4.403 4.340 -0.000 0.000 0.238 46 L C 1.472 178.135 176.870 -0.345 0.000 1.155 46 L CA 0.394 55.102 54.840 -0.220 0.000 0.881 46 L CB -0.066 41.910 42.059 -0.139 0.000 1.008 46 L HN 0.384 nan 8.230 nan 0.000 0.443 47 R N -1.072 119.297 120.500 -0.218 0.000 2.397 47 R HA 0.235 4.575 4.340 -0.000 0.000 0.241 47 R C -0.222 176.018 176.300 -0.100 0.000 0.914 47 R CA -0.231 55.799 56.100 -0.117 0.000 1.071 47 R CB 0.688 31.032 30.300 0.073 0.000 1.116 47 R HN 0.086 nan 8.270 nan 0.000 0.524 48 L N -0.321 120.798 121.223 -0.174 0.000 2.298 48 L HA 0.358 4.698 4.340 -0.000 0.000 0.268 48 L C -0.029 176.779 176.870 -0.103 0.000 1.010 48 L CA -1.615 53.201 54.840 -0.040 0.000 0.812 48 L CB 0.039 42.103 42.059 0.007 0.000 1.331 48 L HN -0.094 nan 8.230 nan 0.000 0.450 49 Y N -0.594 119.722 120.300 0.027 0.000 2.442 49 Y HA 0.053 4.603 4.550 -0.000 0.000 0.330 49 Y C 1.123 176.963 175.900 -0.101 0.000 1.129 49 Y CA 0.226 58.377 58.100 0.084 0.000 1.365 49 Y CB 0.701 39.308 38.460 0.245 0.000 1.233 49 Y HN 0.491 nan 8.280 nan 0.000 0.529 50 c N 1.043 119.681 118.600 0.062 0.000 2.926 50 c HA 0.336 4.906 4.570 -0.000 0.000 0.272 50 c C 1.690 175.842 174.090 0.103 0.000 1.249 50 c CA 0.290 56.541 56.329 -0.129 0.000 1.691 50 c CB -0.527 41.920 42.510 -0.105 0.000 1.983 50 c HN 1.232 nan 8.230 nan 0.000 0.615 51 G N 0.567 109.597 108.800 0.384 0.000 2.179 51 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.220 51 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.220 51 G C 0.377 175.426 174.900 0.249 0.000 0.990 51 G CA -0.099 45.252 45.100 0.418 0.000 0.646 51 G HN 0.806 nan 8.290 nan 0.000 0.517 52 G N 0.801 109.727 108.800 0.210 0.000 2.305 52 G HA2 0.513 4.473 3.960 -0.000 0.000 0.243 52 G HA3 0.513 4.473 3.960 -0.000 0.000 0.243 52 G C 0.075 175.051 174.900 0.126 0.000 1.288 52 G CA 1.054 46.247 45.100 0.154 0.000 0.901 52 G HN 0.951 nan 8.290 nan 0.000 0.516 53 D N 0.197 120.657 120.400 0.099 0.000 2.732 53 D HA 0.277 4.917 4.640 -0.000 0.000 0.292 53 D C 0.559 176.933 176.300 0.124 0.000 1.135 53 D CA -0.963 53.051 54.000 0.024 0.000 1.071 53 D CB 0.312 41.138 40.800 0.043 0.000 1.457 53 D HN 0.297 nan 8.370 nan 0.000 0.547 54 W N -0.524 120.847 121.300 0.118 0.000 2.402 54 W HA -0.024 4.636 4.660 -0.000 0.000 0.286 54 W C 2.079 178.647 176.519 0.082 0.000 1.221 54 W CA 0.984 58.385 57.345 0.094 0.000 1.257 54 W CB -0.877 28.666 29.460 0.137 0.000 1.120 54 W HN 0.558 nan 8.180 nan 0.000 0.551 55 Q N 0.266 120.238 119.800 0.286 0.000 2.167 55 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 55 Q C 2.335 178.421 176.000 0.142 0.000 0.970 55 Q CA 2.178 58.090 55.803 0.182 0.000 0.855 55 Q CB -0.855 27.965 28.738 0.137 0.000 0.911 55 Q HN 0.134 nan 8.270 nan 0.000 0.438 56 G N 0.345 109.237 108.800 0.154 0.000 2.408 56 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 56 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 56 G C 1.392 176.394 174.900 0.170 0.000 1.150 56 G CA 0.816 45.990 45.100 0.122 0.000 0.776 56 G HN 0.414 nan 8.290 nan 0.000 0.542 57 I N 0.410 121.143 120.570 0.272 0.000 2.252 57 I HA -0.102 4.068 4.170 -0.000 0.000 0.245 57 I C 2.609 178.836 176.117 0.183 0.000 1.102 57 I CA 0.733 62.225 61.300 0.319 0.000 1.385 57 I CB -0.210 37.947 38.000 0.261 0.000 1.064 57 I HN 0.115 nan 8.210 nan 0.000 0.414 58 I N 1.022 121.669 120.570 0.129 0.000 2.264 58 I HA -0.314 3.856 4.170 -0.000 0.000 0.248 58 I C 2.235 178.381 176.117 0.049 0.000 1.111 58 I CA 1.305 62.647 61.300 0.069 0.000 1.382 58 I CB -0.484 37.554 38.000 0.064 0.000 1.060 58 I HN 0.315 nan 8.210 nan 0.000 0.418 59 N N 0.866 119.593 118.700 0.046 0.000 2.084 59 N HA -0.149 4.591 4.740 -0.000 0.000 0.190 59 N C 1.722 177.209 175.510 -0.039 0.000 1.030 59 N CA 1.169 54.216 53.050 -0.004 0.000 0.849 59 N CB -0.222 38.250 38.487 -0.025 0.000 1.012 59 N HN 0.211 nan 8.380 nan 0.000 0.423 60 K N 0.770 121.147 120.400 -0.037 0.000 2.288 60 K HA 0.113 4.433 4.320 -0.000 0.000 0.201 60 K C 2.011 178.646 176.600 0.057 0.000 1.048 60 K CA 0.195 56.441 56.287 -0.067 0.000 0.956 60 K CB -0.138 32.311 32.500 -0.085 0.000 0.746 60 K HN 0.314 nan 8.250 nan 0.000 0.461 61 I N 0.868 121.480 120.570 0.070 0.000 2.406 61 I HA -0.218 3.952 4.170 -0.000 0.000 0.249 61 I C 1.399 177.528 176.117 0.020 0.000 1.122 61 I CA 1.048 62.376 61.300 0.047 0.000 1.431 61 I CB -0.140 37.883 38.000 0.038 0.000 1.087 61 I HN 0.242 nan 8.210 nan 0.000 0.424 62 N N 0.534 119.241 118.700 0.010 0.000 2.416 62 N HA -0.141 4.599 4.740 -0.000 0.000 0.177 62 N C 0.775 176.283 175.510 -0.004 0.000 1.036 62 N CA 0.849 53.900 53.050 0.001 0.000 0.901 62 N CB 0.112 38.600 38.487 0.000 0.000 0.976 62 N HN 0.399 nan 8.380 nan 0.000 0.444 63 D N -0.682 119.710 120.400 -0.013 0.000 2.328 63 D HA 0.123 4.763 4.640 -0.000 0.000 0.221 63 D C 1.173 177.480 176.300 0.012 0.000 1.072 63 D CA 0.112 54.103 54.000 -0.016 0.000 0.850 63 D CB -0.020 40.750 40.800 -0.050 0.000 0.922 63 D HN 0.165 nan 8.370 nan 0.000 0.516 64 G N -0.190 108.626 108.800 0.026 0.000 2.176 64 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.253 64 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.253 64 G C 0.677 175.626 174.900 0.081 0.000 0.979 64 G CA 0.349 45.473 45.100 0.041 0.000 0.641 64 G HN 0.345 nan 8.290 nan 0.000 0.530 65 Y N 1.021 121.311 120.300 -0.017 0.000 2.070 65 Y HA -0.014 4.536 4.550 -0.000 0.000 0.280 65 Y C 2.698 178.638 175.900 0.066 0.000 1.148 65 Y CA 2.540 60.669 58.100 0.049 0.000 1.125 65 Y CB -0.426 37.992 38.460 -0.070 0.000 0.975 65 Y HN 0.313 nan 8.280 nan 0.000 0.492 66 L N -0.964 120.208 121.223 -0.085 0.000 2.023 66 L HA -0.170 4.170 4.340 -0.000 0.000 0.205 66 L C 2.569 179.317 176.870 -0.204 0.000 1.073 66 L CA 1.768 56.461 54.840 -0.246 0.000 0.745 66 L CB -1.332 40.648 42.059 -0.131 0.000 0.900 66 L HN 0.312 nan 8.230 nan 0.000 0.435 67 T N -2.361 112.134 114.554 -0.098 0.000 2.720 67 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 67 T C 1.925 176.573 174.700 -0.086 0.000 1.037 67 T CA 1.159 63.211 62.100 -0.081 0.000 1.144 67 T CB -1.079 67.765 68.868 -0.041 0.000 0.864 67 T HN 0.407 nan 8.240 nan 0.000 0.444 68 G N 0.391 109.162 108.800 -0.047 0.000 2.471 68 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.219 68 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.219 68 G C 1.449 176.311 174.900 -0.063 0.000 1.125 68 G CA 0.542 45.651 45.100 0.015 0.000 0.775 68 G HN 0.526 nan 8.290 nan 0.000 0.548 69 M N 0.079 119.491 119.600 -0.313 0.000 2.541 69 M HA 0.244 4.724 4.480 -0.000 0.000 0.252 69 M C 1.671 177.741 176.300 -0.383 0.000 1.125 69 M CA 0.960 55.853 55.300 -0.679 0.000 1.091 69 M CB 0.384 32.389 32.600 -0.992 0.000 1.420 69 M HN 0.335 nan 8.290 nan 0.000 0.486 70 G N 0.947 109.601 108.800 -0.243 0.000 2.132 70 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.234 70 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.234 70 G C -0.087 174.718 174.900 -0.159 0.000 0.989 70 G CA 0.106 45.102 45.100 -0.173 0.000 0.676 70 G HN 0.336 nan 8.290 nan 0.000 0.522 71 V N 1.411 121.216 119.914 -0.182 0.000 2.572 71 V HA 0.484 4.604 4.120 -0.000 0.000 0.291 71 V C 1.612 177.662 176.094 -0.073 0.000 1.039 71 V CA 1.330 63.560 62.300 -0.118 0.000 1.055 71 V CB 1.384 33.107 31.823 -0.166 0.000 0.969 71 V HN 0.809 nan 8.190 nan 0.000 0.482 72 T N 0.903 115.436 114.554 -0.036 0.000 3.043 72 T HA 0.663 5.013 4.350 -0.000 0.000 0.272 72 T C 0.053 174.759 174.700 0.010 0.000 0.990 72 T CA 0.388 62.463 62.100 -0.041 0.000 0.897 72 T CB 0.456 69.268 68.868 -0.094 0.000 1.111 72 T HN 0.999 nan 8.240 nan 0.000 0.529 73 A N 1.549 124.425 122.820 0.095 0.000 2.589 73 A HA 0.771 5.091 4.320 -0.000 0.000 0.296 73 A C -1.245 176.486 177.584 0.246 0.000 1.062 73 A CA -1.214 50.948 52.037 0.210 0.000 0.686 73 A CB 1.133 20.358 19.000 0.374 0.000 1.282 73 A HN 0.741 nan 8.150 nan 0.000 0.404 74 I N -2.137 118.592 120.570 0.264 0.000 2.689 74 I HA 0.881 5.051 4.170 -0.000 0.000 0.299 74 I C -1.080 175.247 176.117 0.351 0.000 1.059 74 I CA -0.768 60.690 61.300 0.263 0.000 1.055 74 I CB 2.108 40.200 38.000 0.154 0.000 1.243 74 I HN 0.792 nan 8.210 nan 0.000 0.425 75 W N 8.560 129.940 121.300 0.133 0.000 2.475 75 W HA 0.760 5.420 4.660 -0.000 0.000 0.320 75 W C -1.441 175.106 176.519 0.047 0.000 1.022 75 W CA -1.856 55.564 57.345 0.124 0.000 1.240 75 W CB 0.817 30.397 29.460 0.201 0.000 1.328 75 W HN 0.671 nan 8.180 nan 0.000 0.439 76 I N 2.514 123.263 120.570 0.297 0.000 2.863 76 I HA 0.676 4.846 4.170 -0.000 0.000 0.311 76 I C 0.337 176.456 176.117 0.003 0.000 1.026 76 I CA -0.977 60.346 61.300 0.039 0.000 1.077 76 I CB 1.658 39.705 38.000 0.077 0.000 1.262 76 I HN 0.237 nan 8.210 nan 0.000 0.461 77 S N 1.738 117.303 115.700 -0.225 0.000 2.569 77 S HA -0.030 4.440 4.470 -0.000 0.000 0.274 77 S C 0.015 174.559 174.600 -0.093 0.000 1.353 77 S CA -0.345 57.655 58.200 -0.334 0.000 1.023 77 S CB 0.289 63.188 63.200 -0.502 0.000 0.876 77 S HN 0.716 nan 8.310 nan 0.000 0.540 78 Q N 2.738 122.435 119.800 -0.172 0.000 2.308 78 Q HA -0.030 4.310 4.340 -0.000 0.000 0.313 78 Q C -1.509 174.543 176.000 0.088 0.000 1.075 78 Q CA -0.908 54.848 55.803 -0.078 0.000 0.995 78 Q CB 0.561 29.200 28.738 -0.165 0.000 1.107 78 Q HN 0.349 nan 8.270 nan 0.000 0.380 79 P HA -0.029 nan 4.420 nan 0.000 0.240 79 P C 0.356 177.781 177.300 0.208 0.000 1.190 79 P CA 0.277 63.571 63.100 0.324 0.000 0.781 79 P CB -0.037 31.612 31.700 -0.085 0.000 0.931 80 V N -1.463 118.437 119.914 -0.024 0.000 3.051 80 V HA 0.218 4.338 4.120 -0.000 0.000 0.306 80 V C 0.485 176.561 176.094 -0.028 0.000 1.083 80 V CA -0.925 61.431 62.300 0.093 0.000 1.104 80 V CB 0.123 31.948 31.823 0.004 0.000 1.027 80 V HN -0.024 nan 8.190 nan 0.000 0.483 81 E N 3.134 123.340 120.200 0.010 0.000 2.480 81 E HA 0.026 4.376 4.350 -0.000 0.000 0.258 81 E C -0.118 176.356 176.600 -0.210 0.000 0.984 81 E CA 0.260 56.601 56.400 -0.098 0.000 0.930 81 E CB 0.162 29.855 29.700 -0.011 0.000 0.936 81 E HN 0.886 nan 8.360 nan 0.000 0.466 82 N N 3.199 121.705 118.700 -0.324 0.000 2.459 82 N HA 0.289 5.029 4.740 -0.000 0.000 0.288 82 N C 0.152 175.402 175.510 -0.432 0.000 1.186 82 N CA -0.769 52.107 53.050 -0.289 0.000 0.917 82 N CB 1.066 39.391 38.487 -0.270 0.000 1.219 82 N HN 0.463 nan 8.380 nan 0.000 0.525 83 I N -1.045 119.415 120.570 -0.183 0.000 3.045 83 I HA -0.062 4.108 4.170 -0.000 0.000 0.288 83 I C -0.070 175.873 176.117 -0.290 0.000 1.238 83 I CA 0.198 61.401 61.300 -0.162 0.000 1.396 83 I CB 0.259 38.263 38.000 0.007 0.000 1.355 83 I HN 0.623 nan 8.210 nan 0.000 0.601 84 Y N 1.714 122.036 120.300 0.036 0.000 2.449 84 Y HA 0.191 4.741 4.550 -0.000 0.000 0.254 84 Y C 1.400 177.334 175.900 0.056 0.000 1.140 84 Y CA -0.244 57.875 58.100 0.033 0.000 1.272 84 Y CB -0.177 38.268 38.460 -0.024 0.000 1.114 84 Y HN 0.561 nan 8.280 nan 0.000 0.525 85 S N 1.618 117.405 115.700 0.145 0.000 2.563 85 S HA 0.132 4.602 4.470 -0.000 0.000 0.284 85 S C -0.019 174.656 174.600 0.125 0.000 1.331 85 S CA -0.102 58.140 58.200 0.069 0.000 1.047 85 S CB 0.622 63.775 63.200 -0.078 0.000 0.859 85 S HN 0.138 nan 8.310 nan 0.000 0.514 86 I N 2.940 123.563 120.570 0.089 0.000 2.330 86 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 86 I C -0.435 175.703 176.117 0.035 0.000 1.025 86 I CA -0.281 61.092 61.300 0.121 0.000 1.197 86 I CB 0.483 38.549 38.000 0.110 0.000 1.358 86 I HN 0.478 nan 8.210 nan 0.000 0.467 87 I N 5.696 126.279 120.570 0.023 0.000 2.342 87 I HA 0.133 4.303 4.170 -0.000 0.000 0.291 87 I C 0.332 176.332 176.117 -0.195 0.000 1.010 87 I CA -0.309 60.877 61.300 -0.190 0.000 1.308 87 I CB 0.997 38.741 38.000 -0.426 0.000 1.400 87 I HN 0.546 nan 8.210 nan 0.000 0.488 88 N N 5.488 124.083 118.700 -0.175 0.000 2.420 88 N HA 0.195 4.935 4.740 -0.000 0.000 0.249 88 N C -1.439 173.995 175.510 -0.127 0.000 1.033 88 N CA -0.307 52.696 53.050 -0.079 0.000 0.944 88 N CB 0.431 38.915 38.487 -0.006 0.000 1.113 88 N HN 0.302 nan 8.380 nan 0.000 0.502 89 Y N 3.215 123.580 120.300 0.109 0.000 2.593 89 Y HA 0.306 4.856 4.550 -0.000 0.000 0.331 89 Y C 0.424 176.352 175.900 0.047 0.000 0.986 89 Y CA -0.804 57.342 58.100 0.078 0.000 1.262 89 Y CB 0.621 39.135 38.460 0.091 0.000 1.098 89 Y HN 0.598 nan 8.280 nan 0.000 0.506 90 S N 2.816 118.616 115.700 0.167 0.000 3.436 90 S HA -0.154 4.316 4.470 -0.000 0.000 0.393 90 S C 1.277 175.925 174.600 0.080 0.000 0.914 90 S CA 1.116 59.373 58.200 0.095 0.000 1.317 90 S CB -1.277 61.970 63.200 0.079 0.000 0.920 90 S HN 1.507 nan 8.310 nan 0.000 0.564 91 G N -0.882 107.958 108.800 0.067 0.000 2.184 91 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.264 91 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.264 91 G C 0.095 175.034 174.900 0.066 0.000 0.975 91 G CA 0.178 45.311 45.100 0.055 0.000 0.642 91 G HN 1.602 nan 8.290 nan 0.000 0.536 92 V N 0.527 120.498 119.914 0.096 0.000 2.448 92 V HA 0.566 4.686 4.120 -0.000 0.000 0.295 92 V C -0.128 176.043 176.094 0.128 0.000 1.025 92 V CA -1.680 60.685 62.300 0.108 0.000 0.859 92 V CB 1.742 33.641 31.823 0.125 0.000 0.988 92 V HN 0.206 nan 8.190 nan 0.000 0.431 93 N N 3.948 122.713 118.700 0.108 0.000 2.497 93 N HA 0.301 5.041 4.740 -0.000 0.000 0.271 93 N C -0.535 175.084 175.510 0.181 0.000 1.142 93 N CA 0.107 53.229 53.050 0.120 0.000 0.965 93 N CB 0.490 39.035 38.487 0.097 0.000 1.077 93 N HN 0.689 nan 8.380 nan 0.000 0.462 94 N N 0.406 119.250 118.700 0.241 0.000 2.296 94 N HA 0.346 5.086 4.740 -0.000 0.000 0.294 94 N C -0.372 175.378 175.510 0.399 0.000 1.033 94 N CA -0.358 52.915 53.050 0.373 0.000 0.839 94 N CB 2.042 40.894 38.487 0.608 0.000 1.395 94 N HN 0.508 nan 8.380 nan 0.000 0.479 95 T N -2.433 112.307 114.554 0.310 0.000 2.927 95 T HA 0.602 4.952 4.350 -0.000 0.000 0.286 95 T C 0.673 175.232 174.700 -0.235 0.000 1.040 95 T CA -0.789 61.441 62.100 0.217 0.000 1.010 95 T CB 1.646 70.650 68.868 0.225 0.000 1.177 95 T HN 0.334 nan 8.240 nan 0.000 0.546 96 A N 0.348 122.965 122.820 -0.338 0.000 2.412 96 A HA 0.256 4.576 4.320 -0.000 0.000 0.253 96 A C 1.360 178.187 177.584 -1.262 0.000 1.334 96 A CA -0.174 51.271 52.037 -0.987 0.000 0.929 96 A CB -1.595 17.213 19.000 -0.320 0.000 0.983 96 A HN 0.965 nan 8.150 nan 0.000 0.508 97 Y N 0.184 119.697 120.300 -1.312 0.000 2.298 97 Y HA -0.346 4.204 4.550 -0.000 0.000 0.287 97 Y C 1.798 177.336 175.900 -0.603 0.000 1.164 97 Y CA 1.860 59.202 58.100 -1.263 0.000 1.229 97 Y CB -1.211 36.742 38.460 -0.845 0.000 0.977 97 Y HN 0.654 nan 8.280 nan 0.000 0.538 98 H N -1.504 116.716 119.070 -1.416 0.000 2.529 98 H HA 0.326 4.882 4.556 -0.000 0.000 0.277 98 H C 2.019 176.856 175.328 -0.818 0.000 0.999 98 H CA 0.186 55.628 56.048 -1.009 0.000 1.256 98 H CB -0.592 28.669 29.762 -0.834 0.000 1.402 98 H HN 0.413 nan 8.280 nan 0.000 0.566 99 G N -0.183 108.194 108.800 -0.705 0.000 2.179 99 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.260 99 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.260 99 G C 0.388 175.087 174.900 -0.335 0.000 0.977 99 G CA 0.524 45.357 45.100 -0.444 0.000 0.641 99 G HN 0.516 nan 8.290 nan 0.000 0.533 100 Y N -1.205 119.112 120.300 0.027 0.000 2.490 100 Y HA 0.335 4.885 4.550 -0.000 0.000 0.281 100 Y C 0.932 177.064 175.900 0.386 0.000 1.174 100 Y CA -0.332 57.865 58.100 0.162 0.000 1.295 100 Y CB 0.267 38.802 38.460 0.125 0.000 1.062 100 Y HN 0.392 nan 8.280 nan 0.000 0.522 101 W N 1.346 122.781 121.300 0.226 0.000 2.101 101 W HA 0.677 5.337 4.660 -0.000 0.000 0.301 101 W C 0.091 176.585 176.519 -0.042 0.000 0.846 101 W CA -2.120 55.308 57.345 0.138 0.000 1.823 101 W CB -0.562 28.953 29.460 0.092 0.000 2.007 101 W HN -0.177 nan 8.180 nan 0.000 0.373 102 A N 2.354 125.222 122.820 0.079 0.000 2.445 102 A HA 0.391 4.711 4.320 -0.000 0.000 0.242 102 A C 1.484 178.994 177.584 -0.124 0.000 1.075 102 A CA 0.139 52.026 52.037 -0.250 0.000 0.777 102 A CB 0.596 19.065 19.000 -0.885 0.000 1.013 102 A HN 0.646 nan 8.150 nan 0.000 0.493 103 R N 0.070 120.491 120.500 -0.131 0.000 2.412 103 R HA 0.170 4.510 4.340 -0.000 0.000 0.212 103 R C -1.045 175.350 176.300 0.158 0.000 0.878 103 R CA 0.484 56.624 56.100 0.066 0.000 1.022 103 R CB 0.727 31.063 30.300 0.060 0.000 1.265 103 R HN 0.577 nan 8.270 nan 0.000 0.620 104 D N 0.035 120.454 120.400 0.031 0.000 2.470 104 D HA 0.157 4.797 4.640 -0.000 0.000 0.233 104 D C -0.587 175.834 176.300 0.201 0.000 1.372 104 D CA -0.561 53.577 54.000 0.229 0.000 0.994 104 D CB 0.822 41.758 40.800 0.226 0.000 1.377 104 D HN 0.035 nan 8.370 nan 0.000 0.586 105 F N 1.724 121.910 119.950 0.394 0.000 2.771 105 F HA 0.129 4.656 4.527 -0.000 0.000 0.299 105 F C 2.123 178.222 175.800 0.497 0.000 1.177 105 F CA 0.559 58.794 58.000 0.391 0.000 1.450 105 F CB 0.234 39.410 39.000 0.292 0.000 1.114 105 F HN 0.113 nan 8.300 nan 0.000 0.587 106 K N -0.305 120.392 120.400 0.495 0.000 2.358 106 K HA 0.155 4.475 4.320 -0.000 0.000 0.200 106 K C 0.347 177.053 176.600 0.177 0.000 1.030 106 K CA 0.193 56.646 56.287 0.277 0.000 1.097 106 K CB 0.521 33.157 32.500 0.226 0.000 0.862 106 K HN 0.124 nan 8.250 nan 0.000 0.534 107 K N 0.546 121.112 120.400 0.276 0.000 2.433 107 K HA 0.231 4.551 4.320 -0.000 0.000 0.252 107 K C -0.240 176.562 176.600 0.337 0.000 1.015 107 K CA -0.650 55.764 56.287 0.212 0.000 0.860 107 K CB 1.979 34.574 32.500 0.157 0.000 1.359 107 K HN -0.049 nan 8.250 nan 0.000 0.452 108 T N -1.447 113.290 114.554 0.305 0.000 2.902 108 T HA 0.184 4.534 4.350 -0.000 0.000 0.280 108 T C 0.164 174.953 174.700 0.147 0.000 0.992 108 T CA -0.809 61.525 62.100 0.391 0.000 1.015 108 T CB 0.884 70.064 68.868 0.521 0.000 1.044 108 T HN 0.454 nan 8.240 nan 0.000 0.520 109 N N 2.661 121.361 118.700 -0.001 0.000 2.401 109 N HA 0.189 4.929 4.740 -0.000 0.000 0.255 109 N C -1.390 173.954 175.510 -0.277 0.000 1.110 109 N CA -2.417 50.464 53.050 -0.281 0.000 0.949 109 N CB 1.159 39.236 38.487 -0.682 0.000 1.110 109 N HN 0.393 nan 8.380 nan 0.000 0.490 110 P HA -0.116 nan 4.420 nan 0.000 0.223 110 P C 0.805 178.001 177.300 -0.174 0.000 1.144 110 P CA 0.767 63.812 63.100 -0.092 0.000 0.783 110 P CB 0.242 31.936 31.700 -0.010 0.000 0.771 111 A N -0.648 121.999 122.820 -0.288 0.000 1.898 111 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 111 A C 2.104 179.596 177.584 -0.154 0.000 1.181 111 A CA 1.172 53.044 52.037 -0.275 0.000 0.620 111 A CB -1.549 17.192 19.000 -0.433 0.000 0.819 111 A HN 0.059 nan 8.150 nan 0.000 0.442 112 Y N -0.611 119.419 120.300 -0.450 0.000 2.220 112 Y HA 0.340 4.890 4.550 -0.000 0.000 0.291 112 Y C 1.632 177.011 175.900 -0.868 0.000 1.129 112 Y CA 0.282 57.836 58.100 -0.909 0.000 1.161 112 Y CB -0.900 36.561 38.460 -1.664 0.000 0.997 112 Y HN 0.460 nan 8.280 nan 0.000 0.522 113 G N -1.334 107.195 108.800 -0.451 0.000 2.341 113 G HA2 0.314 4.274 3.960 -0.000 0.000 0.293 113 G HA3 0.314 4.274 3.960 -0.000 0.000 0.293 113 G C -0.613 174.445 174.900 0.263 0.000 1.298 113 G CA -0.484 44.645 45.100 0.049 0.000 0.868 113 G HN 0.212 nan 8.290 nan 0.000 0.540 114 T N -1.557 113.212 114.554 0.357 0.000 2.852 114 T HA 0.571 4.921 4.350 -0.000 0.000 0.281 114 T C 1.653 176.626 174.700 0.455 0.000 0.993 114 T CA -0.340 61.957 62.100 0.329 0.000 0.933 114 T CB 0.818 69.808 68.868 0.204 0.000 1.187 114 T HN 0.424 nan 8.240 nan 0.000 0.559 115 I N 0.653 121.401 120.570 0.296 0.000 2.226 115 I HA -0.130 4.040 4.170 -0.000 0.000 0.245 115 I C 3.010 179.274 176.117 0.246 0.000 1.100 115 I CA 1.786 63.230 61.300 0.239 0.000 1.374 115 I CB -1.775 36.285 38.000 0.100 0.000 1.057 115 I HN 0.864 nan 8.210 nan 0.000 0.413 116 A N 0.533 123.471 122.820 0.197 0.000 1.933 116 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 116 A C 1.974 179.667 177.584 0.182 0.000 1.175 116 A CA 1.793 53.923 52.037 0.154 0.000 0.628 116 A CB -0.509 18.561 19.000 0.117 0.000 0.814 116 A HN 0.344 nan 8.150 nan 0.000 0.444 117 D N -1.078 119.486 120.400 0.272 0.000 2.117 117 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 117 D C 1.609 178.063 176.300 0.257 0.000 0.987 117 D CA 1.160 55.353 54.000 0.323 0.000 0.829 117 D CB -0.439 40.680 40.800 0.531 0.000 0.961 117 D HN 0.460 nan 8.370 nan 0.000 0.460 118 F N 1.675 121.683 119.950 0.097 0.000 2.134 118 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 118 F C 2.431 178.147 175.800 -0.141 0.000 1.097 118 F CA 1.512 59.358 58.000 -0.257 0.000 1.264 118 F CB -0.121 38.699 39.000 -0.300 0.000 1.001 118 F HN -0.070 nan 8.300 nan 0.000 0.479 119 Q N -0.052 119.790 119.800 0.069 0.000 2.124 119 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 119 Q C 1.869 177.812 176.000 -0.095 0.000 0.977 119 Q CA 2.019 57.816 55.803 -0.009 0.000 0.850 119 Q CB -0.519 28.255 28.738 0.061 0.000 0.901 119 Q HN 0.609 nan 8.270 nan 0.000 0.429 120 N N 0.313 118.985 118.700 -0.047 0.000 2.188 120 N HA -0.146 4.594 4.740 -0.000 0.000 0.184 120 N C 1.673 177.111 175.510 -0.121 0.000 1.018 120 N CA 0.499 53.521 53.050 -0.047 0.000 0.858 120 N CB -0.053 38.446 38.487 0.020 0.000 0.989 120 N HN 0.069 nan 8.380 nan 0.000 0.426 121 L N 1.441 122.543 121.223 -0.202 0.000 2.042 121 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 121 L C 1.769 178.411 176.870 -0.380 0.000 1.076 121 L CA 1.467 56.136 54.840 -0.286 0.000 0.749 121 L CB -0.541 41.236 42.059 -0.471 0.000 0.893 121 L HN 0.193 nan 8.230 nan 0.000 0.432 122 I N -0.142 120.116 120.570 -0.520 0.000 2.226 122 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 122 I C 2.609 178.424 176.117 -0.504 0.000 1.100 122 I CA 1.446 62.391 61.300 -0.591 0.000 1.374 122 I CB -1.765 35.930 38.000 -0.509 0.000 1.057 122 I HN 0.364 nan 8.210 nan 0.000 0.413 123 A N 0.768 123.428 122.820 -0.267 0.000 1.897 123 A HA -0.022 4.298 4.320 -0.000 0.000 0.215 123 A C 2.587 180.118 177.584 -0.087 0.000 1.181 123 A CA 1.667 53.625 52.037 -0.132 0.000 0.620 123 A CB -0.735 18.228 19.000 -0.063 0.000 0.821 123 A HN 0.387 nan 8.150 nan 0.000 0.443 124 A N 0.014 122.778 122.820 -0.094 0.000 1.902 124 A HA 0.139 4.459 4.320 -0.000 0.000 0.217 124 A C 2.512 180.068 177.584 -0.046 0.000 1.181 124 A CA 2.216 54.222 52.037 -0.051 0.000 0.623 124 A CB -1.053 17.923 19.000 -0.040 0.000 0.818 124 A HN 1.014 nan 8.150 nan 0.000 0.443 125 A N -0.694 122.068 122.820 -0.097 0.000 1.858 125 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 125 A C 1.935 179.551 177.584 0.053 0.000 1.190 125 A CA 1.658 53.666 52.037 -0.049 0.000 0.617 125 A CB -1.142 17.797 19.000 -0.101 0.000 0.827 125 A HN 0.756 nan 8.150 nan 0.000 0.443 126 H N -0.721 118.321 119.070 -0.046 0.000 2.387 126 H HA -0.068 4.488 4.556 -0.000 0.000 0.299 126 H C 2.402 177.707 175.328 -0.038 0.000 1.099 126 H CA 0.643 56.666 56.048 -0.042 0.000 1.315 126 H CB -0.007 29.731 29.762 -0.039 0.000 1.380 126 H HN 0.569 nan 8.280 nan 0.000 0.513 127 A N 0.991 123.862 122.820 0.085 0.000 2.070 127 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 127 A C 1.768 179.362 177.584 0.017 0.000 1.159 127 A CA 1.193 53.252 52.037 0.036 0.000 0.656 127 A CB 0.040 19.051 19.000 0.017 0.000 0.800 127 A HN 0.200 nan 8.150 nan 0.000 0.453 128 K N -0.274 120.138 120.400 0.020 0.000 2.440 128 K HA 0.097 4.417 4.320 -0.000 0.000 0.206 128 K C -0.388 176.208 176.600 -0.007 0.000 1.025 128 K CA -0.191 56.096 56.287 0.001 0.000 1.135 128 K CB 0.176 32.675 32.500 -0.001 0.000 0.856 128 K HN 0.462 nan 8.250 nan 0.000 0.502 129 N N 0.913 119.611 118.700 -0.003 0.000 2.747 129 N HA -0.195 4.545 4.740 -0.000 0.000 0.249 129 N C -0.602 174.891 175.510 -0.029 0.000 1.107 129 N CA 0.803 53.832 53.050 -0.035 0.000 0.707 129 N CB -1.582 36.869 38.487 -0.061 0.000 1.054 129 N HN 0.339 nan 8.380 nan 0.000 0.555 130 I N 0.673 121.260 120.570 0.027 0.000 2.378 130 I HA 0.200 4.370 4.170 -0.000 0.000 0.291 130 I C 0.657 176.853 176.117 0.132 0.000 0.992 130 I CA -0.597 60.730 61.300 0.045 0.000 1.154 130 I CB 1.492 39.514 38.000 0.036 0.000 1.315 130 I HN -0.200 nan 8.210 nan 0.000 0.448 131 K N 4.519 124.984 120.400 0.108 0.000 2.126 131 K HA 0.585 4.905 4.320 -0.000 0.000 0.257 131 K C -0.933 175.828 176.600 0.268 0.000 1.007 131 K CA -0.616 55.790 56.287 0.198 0.000 0.928 131 K CB 1.846 34.383 32.500 0.062 0.000 1.013 131 K HN 0.272 nan 8.250 nan 0.000 0.473 132 V N 3.936 124.027 119.914 0.296 0.000 2.407 132 V HA 0.351 4.471 4.120 -0.000 0.000 0.291 132 V C -0.439 175.814 176.094 0.264 0.000 1.018 132 V CA -0.730 61.693 62.300 0.205 0.000 0.842 132 V CB 1.149 32.976 31.823 0.007 0.000 0.996 132 V HN 0.578 nan 8.190 nan 0.000 0.426 133 I N 6.126 126.861 120.570 0.276 0.000 2.412 133 I HA 0.576 4.746 4.170 -0.000 0.000 0.296 133 I C -0.170 176.077 176.117 0.217 0.000 0.987 133 I CA -0.547 60.888 61.300 0.225 0.000 1.180 133 I CB 1.792 39.920 38.000 0.213 0.000 1.340 133 I HN 0.609 nan 8.210 nan 0.000 0.455 134 I N 1.095 121.744 120.570 0.131 0.000 2.603 134 I HA 0.544 4.714 4.170 -0.000 0.000 0.300 134 I C -0.500 175.651 176.117 0.058 0.000 1.017 134 I CA -0.759 60.616 61.300 0.124 0.000 1.098 134 I CB 1.615 39.643 38.000 0.046 0.000 1.279 134 I HN 0.368 nan 8.210 nan 0.000 0.437 135 D N 3.654 124.129 120.400 0.125 0.000 2.372 135 D HA 0.302 4.942 4.640 -0.000 0.000 0.243 135 D C -1.565 174.824 176.300 0.148 0.000 1.121 135 D CA 0.518 54.586 54.000 0.114 0.000 0.898 135 D CB 1.346 42.223 40.800 0.128 0.000 1.202 135 D HN 0.441 nan 8.370 nan 0.000 0.428 136 F N 1.075 121.013 119.950 -0.021 0.000 2.585 136 F HA 0.451 4.978 4.527 -0.000 0.000 0.319 136 F C -0.844 175.008 175.800 0.087 0.000 1.165 136 F CA -0.864 57.149 58.000 0.023 0.000 0.949 136 F CB 1.735 40.746 39.000 0.019 0.000 1.218 136 F HN 0.269 nan 8.300 nan 0.000 0.453 137 A N 7.354 130.068 122.820 -0.177 0.000 3.105 137 A HA 0.484 4.804 4.320 -0.000 0.000 0.336 137 A C -2.389 175.070 177.584 -0.208 0.000 1.042 137 A CA -1.084 50.904 52.037 -0.081 0.000 0.851 137 A CB -0.272 18.780 19.000 0.085 0.000 1.068 137 A HN 0.434 nan 8.150 nan 0.000 0.477 138 P HA -0.016 nan 4.420 nan 0.000 0.253 138 P C 0.588 177.833 177.300 -0.093 0.000 1.281 138 P CA 0.465 63.378 63.100 -0.311 0.000 0.792 138 P CB 0.042 31.567 31.700 -0.291 0.000 1.193 139 N N 0.734 119.370 118.700 -0.107 0.000 2.376 139 N HA -0.091 4.649 4.740 -0.000 0.000 0.177 139 N C 0.738 176.296 175.510 0.079 0.000 1.024 139 N CA 0.501 53.583 53.050 0.053 0.000 0.893 139 N CB 0.024 38.609 38.487 0.162 0.000 0.980 139 N HN 0.280 nan 8.380 nan 0.000 0.439 140 H N -4.705 114.449 119.070 0.140 0.000 2.918 140 H HA 0.270 4.826 4.556 -0.000 0.000 0.303 140 H C -0.166 175.315 175.328 0.256 0.000 1.380 140 H CA -0.117 56.025 56.048 0.157 0.000 1.134 140 H CB 0.715 30.536 29.762 0.099 0.000 1.842 140 H HN 0.021 nan 8.280 nan 0.000 0.533 141 T N -0.700 114.097 114.554 0.406 0.000 3.535 141 T HA 0.320 4.670 4.350 -0.000 0.000 0.223 141 T C 0.687 175.580 174.700 0.321 0.000 0.933 141 T CA 0.862 63.159 62.100 0.329 0.000 1.445 141 T CB -0.510 68.549 68.868 0.318 0.000 1.286 141 T HN 0.844 nan 8.240 nan 0.000 0.436 142 S N 0.573 116.339 115.700 0.111 0.000 2.688 142 S HA 0.628 5.098 4.470 -0.000 0.000 0.275 142 S C -3.390 171.026 174.600 -0.307 0.000 1.175 142 S CA -1.576 56.548 58.200 -0.126 0.000 0.818 142 S CB 0.935 64.035 63.200 -0.166 0.000 1.157 142 S HN 0.199 nan 8.310 nan 0.000 0.482 143 P HA 0.495 nan 4.420 nan 0.000 0.267 143 P C -0.976 176.183 177.300 -0.234 0.000 1.205 143 P CA 0.300 63.212 63.100 -0.314 0.000 0.765 143 P CB 0.446 31.953 31.700 -0.321 0.000 0.828 144 A N 2.430 125.169 122.820 -0.135 0.000 2.594 144 A HA 0.748 5.068 4.320 -0.000 0.000 0.291 144 A C -0.998 176.591 177.584 0.009 0.000 1.105 144 A CA -0.515 51.463 52.037 -0.097 0.000 0.694 144 A CB 1.630 20.409 19.000 -0.368 0.000 1.291 144 A HN 0.333 nan 8.150 nan 0.000 0.410 145 S N -0.361 115.444 115.700 0.176 0.000 2.672 145 S HA 0.476 4.946 4.470 -0.000 0.000 0.291 145 S C 0.849 175.594 174.600 0.243 0.000 1.145 145 S CA 0.264 58.561 58.200 0.161 0.000 1.013 145 S CB 1.700 64.944 63.200 0.073 0.000 1.017 145 S HN 1.260 nan 8.310 nan 0.000 0.487 146 S N 2.585 118.475 115.700 0.317 0.000 2.368 146 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 146 S C 1.489 176.130 174.600 0.069 0.000 1.029 146 S CA 2.019 60.323 58.200 0.174 0.000 0.988 146 S CB -0.349 62.899 63.200 0.079 0.000 0.838 146 S HN 0.908 nan 8.310 nan 0.000 0.462 147 D N -0.129 120.304 120.400 0.056 0.000 2.323 147 D HA -0.069 4.571 4.640 -0.000 0.000 0.209 147 D C 1.094 177.409 176.300 0.025 0.000 0.973 147 D CA 0.312 54.325 54.000 0.021 0.000 0.874 147 D CB -0.276 40.526 40.800 0.004 0.000 0.930 147 D HN 0.524 nan 8.370 nan 0.000 0.521 148 Q N 1.141 120.969 119.800 0.046 0.000 2.851 148 Q HA 0.175 4.515 4.340 -0.000 0.000 0.331 148 Q C -1.998 174.064 176.000 0.102 0.000 0.979 148 Q CA -1.677 54.159 55.803 0.055 0.000 0.955 148 Q CB 1.418 30.173 28.738 0.028 0.000 1.298 148 Q HN -0.118 nan 8.270 nan 0.000 0.432 149 P HA -0.195 nan 4.420 nan 0.000 0.222 149 P C 1.012 178.349 177.300 0.062 0.000 1.142 149 P CA 1.330 64.470 63.100 0.068 0.000 0.788 149 P CB 0.217 31.940 31.700 0.037 0.000 0.767 150 S N -1.844 113.898 115.700 0.070 0.000 2.562 150 S HA -0.029 4.441 4.470 -0.000 0.000 0.221 150 S C 0.523 175.166 174.600 0.072 0.000 0.975 150 S CA -0.591 57.641 58.200 0.053 0.000 0.918 150 S CB -1.151 62.077 63.200 0.046 0.000 0.772 150 S HN -0.010 nan 8.310 nan 0.000 0.531 151 F N 3.565 123.491 119.950 -0.040 0.000 2.467 151 F HA 0.556 5.083 4.527 -0.000 0.000 0.362 151 F C 0.883 176.631 175.800 -0.087 0.000 1.090 151 F CA -0.340 57.619 58.000 -0.068 0.000 1.202 151 F CB 0.143 39.099 39.000 -0.072 0.000 1.113 151 F HN 0.509 nan 8.300 nan 0.000 0.541 152 A N 4.870 127.089 122.820 -1.001 0.000 5.578 152 A HA -0.339 3.981 4.320 -0.000 0.000 0.312 152 A C 0.961 178.321 177.584 -0.374 0.000 1.861 152 A CA 1.474 53.013 52.037 -0.831 0.000 0.719 152 A CB -1.497 16.772 19.000 -1.218 0.000 1.323 152 A HN 0.826 nan 8.150 nan 0.000 0.387 153 E N 1.113 121.142 120.200 -0.286 0.000 2.585 153 E HA 0.233 4.583 4.350 -0.000 0.000 0.206 153 E C 0.445 176.997 176.600 -0.080 0.000 1.007 153 E CA 0.347 56.685 56.400 -0.104 0.000 1.028 153 E CB -0.052 29.643 29.700 -0.008 0.000 1.087 153 E HN 0.662 nan 8.360 nan 0.000 0.455 154 N N 0.747 119.365 118.700 -0.135 0.000 2.714 154 N HA -0.238 4.502 4.740 -0.000 0.000 0.250 154 N C 0.674 176.121 175.510 -0.105 0.000 1.117 154 N CA 0.488 53.498 53.050 -0.067 0.000 0.719 154 N CB -0.833 37.653 38.487 -0.001 0.000 1.081 154 N HN 0.563 nan 8.380 nan 0.000 0.557 155 G N 0.207 108.911 108.800 -0.159 0.000 2.225 155 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.267 155 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.267 155 G C 0.181 175.069 174.900 -0.020 0.000 1.024 155 G CA 0.740 45.738 45.100 -0.171 0.000 0.784 155 G HN 0.644 nan 8.290 nan 0.000 0.507 156 R N -1.027 119.497 120.500 0.041 0.000 2.585 156 R HA 0.318 4.658 4.340 -0.000 0.000 0.275 156 R C 0.126 176.514 176.300 0.148 0.000 1.018 156 R CA -0.129 56.022 56.100 0.085 0.000 1.072 156 R CB 0.499 30.837 30.300 0.064 0.000 0.953 156 R HN 0.271 nan 8.270 nan 0.000 0.419 157 L N 4.354 125.608 121.223 0.053 0.000 2.305 157 L HA 0.370 4.710 4.340 -0.000 0.000 0.284 157 L C -1.473 175.274 176.870 -0.205 0.000 1.013 157 L CA -0.413 54.460 54.840 0.056 0.000 0.819 157 L CB 0.942 43.045 42.059 0.073 0.000 1.227 157 L HN 0.397 nan 8.230 nan 0.000 0.417 158 Y N 2.128 122.462 120.300 0.055 0.000 2.528 158 Y HA 0.496 5.046 4.550 -0.000 0.000 0.335 158 Y C -0.291 175.649 175.900 0.067 0.000 1.093 158 Y CA -0.730 57.399 58.100 0.047 0.000 1.134 158 Y CB 1.575 40.090 38.460 0.092 0.000 1.253 158 Y HN 0.515 nan 8.280 nan 0.000 0.478 159 D N 2.224 122.759 120.400 0.224 0.000 2.462 159 D HA 0.124 4.764 4.640 -0.000 0.000 0.249 159 D C -0.456 176.022 176.300 0.297 0.000 1.117 159 D CA -0.357 53.827 54.000 0.306 0.000 0.900 159 D CB -0.185 40.709 40.800 0.157 0.000 1.039 159 D HN 0.593 nan 8.370 nan 0.000 0.516 160 N N 3.346 122.235 118.700 0.316 0.000 2.714 160 N HA -0.233 4.507 4.740 -0.000 0.000 0.253 160 N C 0.945 176.556 175.510 0.169 0.000 1.024 160 N CA 1.951 55.126 53.050 0.208 0.000 0.726 160 N CB -1.143 37.441 38.487 0.161 0.000 0.908 160 N HN 0.822 nan 8.380 nan 0.000 0.542 161 G N -2.359 106.556 108.800 0.192 0.000 2.258 161 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.233 161 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.233 161 G C 0.231 175.296 174.900 0.274 0.000 1.006 161 G CA 0.403 45.592 45.100 0.149 0.000 0.620 161 G HN 0.732 nan 8.290 nan 0.000 0.511 162 T N 2.221 116.937 114.554 0.269 0.000 2.771 162 T HA 0.545 4.895 4.350 -0.000 0.000 0.291 162 T C 0.126 174.929 174.700 0.173 0.000 0.954 162 T CA -0.337 61.890 62.100 0.211 0.000 1.045 162 T CB 1.956 70.894 68.868 0.117 0.000 0.917 162 T HN 0.559 nan 8.240 nan 0.000 0.484 163 L N 4.954 126.217 121.223 0.067 0.000 2.513 163 L HA 0.179 4.519 4.340 -0.000 0.000 0.272 163 L C 0.687 177.422 176.870 -0.225 0.000 1.187 163 L CA 0.431 55.076 54.840 -0.325 0.000 0.895 163 L CB -0.155 41.741 42.059 -0.272 0.000 1.147 163 L HN 0.727 nan 8.230 nan 0.000 0.483 164 L N 4.320 125.369 121.223 -0.291 0.000 2.286 164 L HA 0.458 4.798 4.340 -0.000 0.000 0.203 164 L C 1.018 177.793 176.870 -0.158 0.000 1.068 164 L CA 0.533 55.251 54.840 -0.204 0.000 0.811 164 L CB -0.192 41.706 42.059 -0.267 0.000 0.989 164 L HN 0.845 nan 8.230 nan 0.000 0.467 165 G N -1.358 107.349 108.800 -0.154 0.000 2.316 165 G HA2 0.416 4.376 3.960 -0.000 0.000 0.296 165 G HA3 0.416 4.376 3.960 -0.000 0.000 0.296 165 G C -1.465 173.494 174.900 0.098 0.000 1.399 165 G CA -0.157 44.928 45.100 -0.025 0.000 0.833 165 G HN 0.152 nan 8.290 nan 0.000 0.565 166 G N -1.917 106.967 108.800 0.140 0.000 2.816 166 G HA2 0.517 4.477 3.960 -0.000 0.000 0.288 166 G HA3 0.517 4.477 3.960 -0.000 0.000 0.288 166 G C 0.170 175.113 174.900 0.072 0.000 1.334 166 G CA -0.328 44.834 45.100 0.102 0.000 0.978 166 G HN 0.688 nan 8.290 nan 0.000 0.493 167 Y N 0.190 120.308 120.300 -0.305 0.000 2.293 167 Y HA 0.098 4.648 4.550 -0.000 0.000 0.291 167 Y C 1.776 177.671 175.900 -0.008 0.000 1.137 167 Y CA 1.263 59.168 58.100 -0.324 0.000 1.202 167 Y CB 0.071 38.282 38.460 -0.415 0.000 0.990 167 Y HN 0.304 nan 8.280 nan 0.000 0.537 168 T N 2.182 116.734 114.554 -0.004 0.000 2.889 168 T HA 0.101 4.451 4.350 -0.000 0.000 0.291 168 T C -0.076 174.588 174.700 -0.061 0.000 0.995 168 T CA -0.344 61.730 62.100 -0.042 0.000 1.092 168 T CB 0.437 69.309 68.868 0.007 0.000 0.954 168 T HN 0.298 nan 8.240 nan 0.000 0.506 169 N N 1.615 120.252 118.700 -0.105 0.000 2.735 169 N HA -0.151 4.589 4.740 -0.000 0.000 0.248 169 N C -0.551 174.907 175.510 -0.086 0.000 1.083 169 N CA 0.480 53.473 53.050 -0.096 0.000 0.703 169 N CB -0.881 37.573 38.487 -0.055 0.000 1.005 169 N HN 0.728 nan 8.380 nan 0.000 0.550 170 D N 0.654 120.977 120.400 -0.129 0.000 2.671 170 D HA 0.118 4.758 4.640 -0.000 0.000 0.228 170 D C 1.456 177.698 176.300 -0.096 0.000 1.102 170 D CA 0.387 54.368 54.000 -0.032 0.000 1.044 170 D CB 0.007 40.905 40.800 0.163 0.000 1.113 170 D HN 0.383 nan 8.370 nan 0.000 0.480 171 T N -1.071 113.434 114.554 -0.081 0.000 2.867 171 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 171 T C 1.713 176.377 174.700 -0.059 0.000 1.057 171 T CA 0.845 62.896 62.100 -0.081 0.000 1.136 171 T CB -0.158 68.671 68.868 -0.066 0.000 0.874 171 T HN 0.280 nan 8.240 nan 0.000 0.466 172 Q N 0.830 120.603 119.800 -0.044 0.000 2.291 172 Q HA 0.068 4.408 4.340 -0.000 0.000 0.205 172 Q C 0.208 176.177 176.000 -0.052 0.000 0.970 172 Q CA 0.321 56.095 55.803 -0.048 0.000 0.876 172 Q CB -0.160 28.542 28.738 -0.059 0.000 0.935 172 Q HN 0.592 nan 8.270 nan 0.000 0.455 173 N N -0.914 117.770 118.700 -0.027 0.000 2.771 173 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 173 N C -0.014 175.437 175.510 -0.099 0.000 1.069 173 N CA 0.050 53.097 53.050 -0.006 0.000 0.688 173 N CB -0.956 37.526 38.487 -0.009 0.000 0.928 173 N HN 0.209 nan 8.380 nan 0.000 0.551 174 L N -1.439 119.686 121.223 -0.164 0.000 2.240 174 L HA 0.097 4.437 4.340 -0.000 0.000 0.211 174 L C 0.520 176.945 176.870 -0.743 0.000 1.106 174 L CA 0.970 55.506 54.840 -0.507 0.000 0.793 174 L CB -0.125 41.508 42.059 -0.710 0.000 0.927 174 L HN 0.162 nan 8.230 nan 0.000 0.446 175 F N -2.551 117.334 119.950 -0.108 0.000 2.639 175 F HA 0.386 4.913 4.527 -0.000 0.000 0.339 175 F C 0.304 175.955 175.800 -0.249 0.000 1.071 175 F CA -1.051 56.834 58.000 -0.191 0.000 0.994 175 F CB 0.605 39.599 39.000 -0.010 0.000 1.341 175 F HN -0.233 nan 8.300 nan 0.000 0.498 176 H N -0.046 119.048 119.070 0.039 0.000 2.548 176 H HA 0.295 4.851 4.556 -0.000 0.000 0.331 176 H C -0.612 174.547 175.328 -0.280 0.000 1.093 176 H CA -0.370 55.651 56.048 -0.045 0.000 1.367 176 H CB 0.641 30.415 29.762 0.021 0.000 1.455 176 H HN 0.447 nan 8.280 nan 0.000 0.519 177 H N 2.998 122.178 119.070 0.184 0.000 2.429 177 H HA 0.131 4.687 4.556 -0.000 0.000 0.237 177 H C -0.084 175.264 175.328 0.033 0.000 1.378 177 H CA -0.235 55.857 56.048 0.073 0.000 1.170 177 H CB 0.242 29.961 29.762 -0.071 0.000 1.671 177 H HN 0.673 nan 8.280 nan 0.000 0.541 178 N N 0.843 119.584 118.700 0.067 0.000 2.204 178 N HA 0.149 4.889 4.740 -0.000 0.000 0.219 178 N C 1.123 176.618 175.510 -0.025 0.000 1.151 178 N CA 0.576 53.621 53.050 -0.008 0.000 0.867 178 N CB 2.091 40.535 38.487 -0.071 0.000 1.043 178 N HN 0.686 nan 8.380 nan 0.000 0.516 179 G N -0.241 108.560 108.800 0.002 0.000 2.627 179 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.214 179 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.214 179 G C -0.236 174.615 174.900 -0.081 0.000 1.331 179 G CA -0.554 44.527 45.100 -0.033 0.000 0.891 179 G HN 0.383 nan 8.290 nan 0.000 0.539 180 G N -1.126 107.601 108.800 -0.122 0.000 2.400 180 G HA2 0.714 4.674 3.960 -0.000 0.000 0.333 180 G HA3 0.714 4.674 3.960 -0.000 0.000 0.333 180 G C 0.084 174.827 174.900 -0.263 0.000 1.143 180 G CA 0.928 45.908 45.100 -0.200 0.000 0.914 180 G HN 1.276 nan 8.290 nan 0.000 0.480 181 T N -0.580 113.730 114.554 -0.408 0.000 2.913 181 T HA 0.243 4.593 4.350 -0.000 0.000 0.297 181 T C 0.830 175.181 174.700 -0.581 0.000 1.029 181 T CA 0.042 61.841 62.100 -0.502 0.000 1.104 181 T CB 0.797 69.248 68.868 -0.694 0.000 0.964 181 T HN 0.603 nan 8.240 nan 0.000 0.532 182 D N 2.394 122.561 120.400 -0.388 0.000 2.395 182 D HA 0.041 4.681 4.640 -0.000 0.000 0.213 182 D C 0.495 176.770 176.300 -0.042 0.000 1.110 182 D CA -0.316 53.565 54.000 -0.200 0.000 0.835 182 D CB -0.535 40.216 40.800 -0.082 0.000 0.965 182 D HN 0.605 nan 8.370 nan 0.000 0.505 183 F N 0.648 120.538 119.950 -0.099 0.000 3.006 183 F HA -0.310 4.217 4.527 -0.000 0.000 0.289 183 F C 1.918 177.686 175.800 -0.053 0.000 0.772 183 F CA 0.732 58.689 58.000 -0.073 0.000 1.162 183 F CB -2.614 36.343 39.000 -0.072 0.000 1.382 183 F HN 0.181 nan 8.300 nan 0.000 0.406 184 S N -1.459 114.269 115.700 0.047 0.000 2.423 184 S HA 0.069 4.539 4.470 -0.000 0.000 0.231 184 S C 0.938 175.547 174.600 0.015 0.000 1.014 184 S CA 1.187 59.404 58.200 0.028 0.000 0.965 184 S CB -0.052 63.143 63.200 -0.008 0.000 0.785 184 S HN 0.702 nan 8.310 nan 0.000 0.495 185 T N -3.637 110.908 114.554 -0.014 0.000 2.864 185 T HA 0.507 4.857 4.350 -0.000 0.000 0.299 185 T C 0.593 175.260 174.700 -0.054 0.000 1.166 185 T CA -0.239 61.846 62.100 -0.026 0.000 1.007 185 T CB 1.235 70.065 68.868 -0.063 0.000 1.219 185 T HN -0.088 nan 8.240 nan 0.000 0.506 186 T N 0.401 114.924 114.554 -0.050 0.000 2.777 186 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 186 T C 1.674 176.224 174.700 -0.251 0.000 1.040 186 T CA 1.795 63.835 62.100 -0.100 0.000 1.141 186 T CB -0.420 68.474 68.868 0.043 0.000 0.868 186 T HN 0.844 nan 8.240 nan 0.000 0.444 187 E N 1.417 121.381 120.200 -0.393 0.000 2.058 187 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 187 E C 2.309 178.752 176.600 -0.261 0.000 0.997 187 E CA 1.152 57.161 56.400 -0.652 0.000 0.801 187 E CB -0.205 29.006 29.700 -0.816 0.000 0.746 187 E HN 0.354 nan 8.360 nan 0.000 0.450 188 N N 0.015 118.599 118.700 -0.195 0.000 2.149 188 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 188 N C 1.863 177.268 175.510 -0.175 0.000 1.019 188 N CA 1.518 54.479 53.050 -0.149 0.000 0.857 188 N CB -0.295 38.110 38.487 -0.136 0.000 0.997 188 N HN 0.284 nan 8.380 nan 0.000 0.426 189 G N 0.198 108.902 108.800 -0.160 0.000 2.572 189 G HA2 0.002 3.962 3.960 -0.000 0.000 0.216 189 G HA3 0.002 3.962 3.960 -0.000 0.000 0.216 189 G C 1.685 176.563 174.900 -0.037 0.000 1.133 189 G CA 0.012 45.062 45.100 -0.085 0.000 0.791 189 G HN 0.298 nan 8.290 nan 0.000 0.538 190 I N -1.177 119.259 120.570 -0.224 0.000 2.429 190 I HA 0.051 4.221 4.170 -0.000 0.000 0.247 190 I C 1.491 177.306 176.117 -0.504 0.000 1.099 190 I CA 0.623 61.676 61.300 -0.412 0.000 1.422 190 I CB 0.111 37.686 38.000 -0.709 0.000 1.112 190 I HN 0.088 nan 8.210 nan 0.000 0.430 191 Y N 1.117 121.303 120.300 -0.190 0.000 2.468 191 Y HA 0.277 4.827 4.550 -0.000 0.000 0.268 191 Y C 0.556 176.246 175.900 -0.350 0.000 1.177 191 Y CA -0.066 57.816 58.100 -0.362 0.000 1.265 191 Y CB -0.085 38.161 38.460 -0.357 0.000 1.103 191 Y HN -0.049 nan 8.280 nan 0.000 0.522 192 K N 0.034 120.356 120.400 -0.131 0.000 2.400 192 K HA 0.312 4.632 4.320 -0.000 0.000 0.246 192 K C -0.738 175.763 176.600 -0.165 0.000 0.995 192 K CA -1.217 54.988 56.287 -0.137 0.000 0.840 192 K CB 1.090 33.484 32.500 -0.176 0.000 1.293 192 K HN -0.132 nan 8.250 nan 0.000 0.445 193 N N 1.258 119.858 118.700 -0.167 0.000 2.479 193 N HA 0.084 4.824 4.740 -0.000 0.000 0.257 193 N C -0.598 174.688 175.510 -0.374 0.000 1.232 193 N CA 0.098 53.020 53.050 -0.213 0.000 0.920 193 N CB 0.345 38.713 38.487 -0.199 0.000 1.105 193 N HN 0.344 nan 8.380 nan 0.000 0.444 194 L N 4.159 125.136 121.223 -0.410 0.000 2.282 194 L HA 0.171 4.511 4.340 -0.000 0.000 0.287 194 L C -0.077 176.478 176.870 -0.525 0.000 1.075 194 L CA -0.237 54.196 54.840 -0.678 0.000 0.839 194 L CB -0.528 41.185 42.059 -0.577 0.000 1.219 194 L HN 0.559 nan 8.230 nan 0.000 0.434 195 Y N 1.299 121.464 120.300 -0.225 0.000 2.887 195 Y HA -0.402 4.148 4.550 -0.000 0.000 0.467 195 Y C 1.260 177.047 175.900 -0.188 0.000 1.192 195 Y CA 1.055 59.049 58.100 -0.177 0.000 2.535 195 Y CB -1.063 37.303 38.460 -0.157 0.000 1.225 195 Y HN 0.810 nan 8.280 nan 0.000 0.630 196 D N 0.935 121.350 120.400 0.025 0.000 2.462 196 D HA 0.282 4.922 4.640 -0.000 0.000 0.221 196 D C -0.341 175.857 176.300 -0.171 0.000 1.173 196 D CA 0.038 53.988 54.000 -0.083 0.000 0.831 196 D CB -0.633 40.161 40.800 -0.009 0.000 1.001 196 D HN 0.407 nan 8.370 nan 0.000 0.499 197 L N 1.256 122.371 121.223 -0.180 0.000 2.360 197 L HA 0.396 4.736 4.340 -0.000 0.000 0.276 197 L C 0.781 177.496 176.870 -0.258 0.000 1.121 197 L CA -0.846 53.856 54.840 -0.230 0.000 0.845 197 L CB 0.889 42.751 42.059 -0.329 0.000 1.143 197 L HN 0.026 nan 8.230 nan 0.000 0.452 198 A N 2.803 125.425 122.820 -0.331 0.000 2.505 198 A HA -0.000 4.320 4.320 -0.000 0.000 0.271 198 A C -0.009 177.595 177.584 0.033 0.000 1.112 198 A CA -0.210 51.550 52.037 -0.463 0.000 0.781 198 A CB -0.393 18.189 19.000 -0.696 0.000 1.059 198 A HN 0.731 nan 8.150 nan 0.000 0.508 199 D N 2.664 123.103 120.400 0.065 0.000 2.339 199 D HA 0.338 4.978 4.640 -0.000 0.000 0.256 199 D C 0.103 176.476 176.300 0.121 0.000 1.214 199 D CA 0.218 54.307 54.000 0.148 0.000 0.877 199 D CB 0.275 41.169 40.800 0.158 0.000 1.111 199 D HN 0.484 nan 8.370 nan 0.000 0.478 200 L N 3.561 124.753 121.223 -0.052 0.000 2.456 200 L HA 0.129 4.469 4.340 -0.000 0.000 0.272 200 L C 0.732 177.107 176.870 -0.824 0.000 1.189 200 L CA -0.244 54.324 54.840 -0.454 0.000 0.846 200 L CB 0.391 42.127 42.059 -0.539 0.000 1.111 200 L HN 0.415 nan 8.230 nan 0.000 0.475 201 N N 1.077 119.258 118.700 -0.865 0.000 2.558 201 N HA 0.115 4.855 4.740 -0.000 0.000 0.233 201 N C 0.427 175.532 175.510 -0.675 0.000 1.038 201 N CA -0.260 52.289 53.050 -0.835 0.000 0.934 201 N CB 0.381 38.523 38.487 -0.574 0.000 1.175 201 N HN 0.428 nan 8.380 nan 0.000 0.512 202 H N 1.080 119.877 119.070 -0.456 0.000 2.563 202 H HA 0.023 4.578 4.556 -0.000 0.000 0.272 202 H C 1.071 176.247 175.328 -0.253 0.000 1.005 202 H CA 0.561 56.240 56.048 -0.615 0.000 1.171 202 H CB 0.251 29.155 29.762 -1.430 0.000 1.351 202 H HN 0.525 nan 8.280 nan 0.000 0.602 203 N N 0.560 119.235 118.700 -0.041 0.000 2.412 203 N HA -0.103 4.637 4.740 -0.000 0.000 0.184 203 N C 0.016 175.535 175.510 0.014 0.000 1.101 203 N CA -0.084 53.008 53.050 0.068 0.000 0.881 203 N CB 0.192 38.757 38.487 0.131 0.000 0.969 203 N HN 0.171 nan 8.380 nan 0.000 0.459 204 N N 0.278 118.933 118.700 -0.075 0.000 2.408 204 N HA 0.046 4.786 4.740 -0.000 0.000 0.257 204 N C 0.155 175.647 175.510 -0.031 0.000 1.064 204 N CA 0.142 53.147 53.050 -0.075 0.000 0.952 204 N CB 1.218 39.609 38.487 -0.160 0.000 1.093 204 N HN -0.000 nan 8.380 nan 0.000 0.490 205 S N 2.452 118.161 115.700 0.015 0.000 2.392 205 S HA -0.144 4.326 4.470 -0.000 0.000 0.232 205 S C 1.521 176.155 174.600 0.058 0.000 1.041 205 S CA 1.791 60.024 58.200 0.056 0.000 1.026 205 S CB -0.033 63.198 63.200 0.051 0.000 0.845 205 S HN 0.728 nan 8.310 nan 0.000 0.465 206 T N 1.410 115.972 114.554 0.013 0.000 2.777 206 T HA -0.041 4.309 4.350 -0.000 0.000 0.266 206 T C 1.887 176.611 174.700 0.039 0.000 1.040 206 T CA 1.239 63.347 62.100 0.014 0.000 1.141 206 T CB -0.309 68.529 68.868 -0.049 0.000 0.868 206 T HN 0.208 nan 8.240 nan 0.000 0.444 207 V N 1.651 121.542 119.914 -0.039 0.000 2.307 207 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 207 V C 2.352 178.513 176.094 0.112 0.000 1.045 207 V CA 2.029 64.298 62.300 -0.051 0.000 1.024 207 V CB -0.665 30.988 31.823 -0.283 0.000 0.651 207 V HN 0.491 nan 8.190 nan 0.000 0.449 208 D N 0.304 120.784 120.400 0.133 0.000 2.120 208 D HA -0.196 4.444 4.640 -0.000 0.000 0.191 208 D C 2.018 178.526 176.300 0.347 0.000 0.994 208 D CA 2.185 56.396 54.000 0.351 0.000 0.838 208 D CB -0.304 40.702 40.800 0.343 0.000 0.976 208 D HN 0.137 nan 8.370 nan 0.000 0.447 209 V N -0.251 119.804 119.914 0.236 0.000 2.392 209 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 209 V C 2.188 178.404 176.094 0.203 0.000 1.059 209 V CA 2.060 64.472 62.300 0.187 0.000 1.051 209 V CB -0.922 30.981 31.823 0.134 0.000 0.658 209 V HN 0.374 nan 8.190 nan 0.000 0.455 210 Y N 0.361 120.724 120.300 0.105 0.000 2.145 210 Y HA -0.201 4.348 4.550 -0.000 0.000 0.286 210 Y C 2.189 178.180 175.900 0.151 0.000 1.145 210 Y CA 1.700 59.861 58.100 0.102 0.000 1.148 210 Y CB -0.253 38.244 38.460 0.062 0.000 0.981 210 Y HN 0.150 nan 8.280 nan 0.000 0.507 211 L N 0.025 121.312 121.223 0.108 0.000 2.093 211 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 211 L C 2.371 179.422 176.870 0.302 0.000 1.085 211 L CA 1.617 56.521 54.840 0.107 0.000 0.755 211 L CB -0.465 41.779 42.059 0.308 0.000 0.904 211 L HN 0.143 nan 8.230 nan 0.000 0.435 212 K N -0.351 120.230 120.400 0.302 0.000 2.148 212 K HA -0.142 4.178 4.320 -0.000 0.000 0.204 212 K C 1.588 178.177 176.600 -0.018 0.000 1.050 212 K CA 1.119 57.488 56.287 0.137 0.000 0.942 212 K CB -0.009 32.548 32.500 0.095 0.000 0.724 212 K HN 0.228 nan 8.250 nan 0.000 0.446 213 D N 0.405 120.794 120.400 -0.018 0.000 2.162 213 D HA -0.033 4.607 4.640 -0.000 0.000 0.203 213 D C 1.832 178.087 176.300 -0.075 0.000 0.967 213 D CA 0.962 54.917 54.000 -0.075 0.000 0.840 213 D CB -0.092 40.685 40.800 -0.039 0.000 0.972 213 D HN 0.139 nan 8.370 nan 0.000 0.482 214 A N 0.965 123.738 122.820 -0.078 0.000 1.908 214 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 214 A C 2.174 179.890 177.584 0.219 0.000 1.181 214 A CA 0.989 53.054 52.037 0.048 0.000 0.627 214 A CB -0.628 18.402 19.000 0.049 0.000 0.818 214 A HN 0.197 nan 8.150 nan 0.000 0.445 215 I N -0.091 120.565 120.570 0.144 0.000 2.394 215 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 215 I C 2.090 178.211 176.117 0.007 0.000 1.136 215 I CA 1.416 62.700 61.300 -0.026 0.000 1.425 215 I CB -0.359 37.475 38.000 -0.277 0.000 1.079 215 I HN 0.256 nan 8.210 nan 0.000 0.425 216 K N -0.350 120.010 120.400 -0.067 0.000 2.147 216 K HA -0.217 4.103 4.320 -0.000 0.000 0.205 216 K C 2.123 178.715 176.600 -0.013 0.000 1.049 216 K CA 1.877 58.114 56.287 -0.083 0.000 0.936 216 K CB -0.348 31.940 32.500 -0.353 0.000 0.722 216 K HN 0.441 nan 8.250 nan 0.000 0.446 217 M N -0.324 119.217 119.600 -0.099 0.000 2.117 217 M HA -0.170 4.310 4.480 -0.000 0.000 0.262 217 M C 1.395 177.523 176.300 -0.287 0.000 1.065 217 M CA 1.749 56.908 55.300 -0.236 0.000 1.114 217 M CB -0.172 32.180 32.600 -0.413 0.000 1.361 217 M HN 0.158 nan 8.290 nan 0.000 0.408 218 W N 0.690 121.978 121.300 -0.019 0.000 2.388 218 W HA -0.035 4.625 4.660 0.000 0.000 0.294 218 W C 2.059 178.606 176.519 0.046 0.000 1.212 218 W CA 0.672 58.001 57.345 -0.027 0.000 1.271 218 W CB -0.444 28.970 29.460 -0.077 0.000 1.126 218 W HN 0.178 nan 8.180 nan 0.000 0.535 219 L N -0.030 121.325 121.223 0.219 0.000 2.083 219 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 219 L C 1.811 178.776 176.870 0.158 0.000 1.083 219 L CA 1.160 56.112 54.840 0.187 0.000 0.752 219 L CB -0.647 41.537 42.059 0.208 0.000 0.899 219 L HN -0.086 nan 8.230 nan 0.000 0.433 220 D N -0.128 120.356 120.400 0.140 0.000 2.224 220 D HA -0.082 4.558 4.640 -0.000 0.000 0.205 220 D C 2.193 178.544 176.300 0.086 0.000 0.965 220 D CA 0.911 54.971 54.000 0.099 0.000 0.852 220 D CB 0.072 40.915 40.800 0.071 0.000 0.947 220 D HN 0.273 nan 8.370 nan 0.000 0.494 221 L N -0.686 120.603 121.223 0.110 0.000 2.552 221 L HA 0.119 4.459 4.340 -0.000 0.000 0.227 221 L C 1.358 178.364 176.870 0.227 0.000 1.146 221 L CA 0.525 55.471 54.840 0.175 0.000 0.858 221 L CB 0.071 42.269 42.059 0.232 0.000 0.969 221 L HN 0.155 nan 8.230 nan 0.000 0.451 222 G N 0.797 109.720 108.800 0.206 0.000 2.134 222 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.209 222 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.209 222 G C 0.399 175.443 174.900 0.241 0.000 0.993 222 G CA 0.062 45.281 45.100 0.198 0.000 0.669 222 G HN 0.396 nan 8.290 nan 0.000 0.519 223 I N -2.205 118.535 120.570 0.283 0.000 2.892 223 I HA 0.391 4.561 4.170 -0.000 0.000 0.287 223 I C 0.635 176.911 176.117 0.265 0.000 1.205 223 I CA 0.142 61.611 61.300 0.281 0.000 1.409 223 I CB 0.565 38.754 38.000 0.315 0.000 1.367 223 I HN -0.066 nan 8.210 nan 0.000 0.597 224 D N 3.407 123.994 120.400 0.311 0.000 2.389 224 D HA 0.258 4.898 4.640 -0.000 0.000 0.206 224 D C 0.648 177.212 176.300 0.440 0.000 1.055 224 D CA 0.416 54.634 54.000 0.364 0.000 0.856 224 D CB 1.136 42.184 40.800 0.412 0.000 0.957 224 D HN 0.850 nan 8.370 nan 0.000 0.509 225 G N 0.283 109.267 108.800 0.306 0.000 2.576 225 G HA2 0.572 4.532 3.960 -0.000 0.000 0.290 225 G HA3 0.572 4.532 3.960 -0.000 0.000 0.290 225 G C -1.753 173.168 174.900 0.035 0.000 1.442 225 G CA -0.694 44.505 45.100 0.165 0.000 0.792 225 G HN -0.011 nan 8.290 nan 0.000 0.491 226 I N 0.344 120.852 120.570 -0.104 0.000 2.582 226 I HA 0.516 4.686 4.170 -0.000 0.000 0.292 226 I C -0.381 175.399 176.117 -0.560 0.000 1.066 226 I CA -0.984 60.193 61.300 -0.204 0.000 1.053 226 I CB 2.447 40.378 38.000 -0.115 0.000 1.241 226 I HN 0.206 nan 8.210 nan 0.000 0.421 227 R N 7.162 127.268 120.500 -0.658 0.000 2.272 227 R HA 0.457 4.797 4.340 -0.000 0.000 0.323 227 R C -1.062 174.965 176.300 -0.455 0.000 1.002 227 R CA -0.724 54.689 56.100 -1.144 0.000 0.900 227 R CB 0.897 30.330 30.300 -1.445 0.000 1.151 227 R HN 0.576 nan 8.270 nan 0.000 0.507 228 M N 2.580 121.985 119.600 -0.324 0.000 2.162 228 M HA 0.094 4.574 4.480 -0.000 0.000 0.356 228 M C 0.093 176.420 176.300 0.045 0.000 1.303 228 M CA -0.343 54.939 55.300 -0.030 0.000 1.116 228 M CB 0.635 33.261 32.600 0.043 0.000 1.632 228 M HN 0.370 nan 8.290 nan 0.000 0.469 229 D N 2.507 122.981 120.400 0.122 0.000 2.255 229 D HA 0.470 5.110 4.640 -0.000 0.000 0.249 229 D C 0.337 176.732 176.300 0.158 0.000 1.078 229 D CA 0.358 54.465 54.000 0.179 0.000 0.896 229 D CB 0.828 41.779 40.800 0.251 0.000 1.194 229 D HN 0.827 nan 8.370 nan 0.000 0.429 230 A N 2.446 125.372 122.820 0.178 0.000 2.791 230 A HA -0.182 4.138 4.320 -0.000 0.000 0.292 230 A C 1.526 179.185 177.584 0.126 0.000 1.487 230 A CA 0.955 53.120 52.037 0.214 0.000 0.760 230 A CB -2.442 16.706 19.000 0.247 0.000 1.031 230 A HN 1.132 nan 8.150 nan 0.000 0.503 231 V N -2.055 117.888 119.914 0.048 0.000 2.720 231 V HA -0.136 3.984 4.120 -0.000 0.000 0.256 231 V C 1.827 177.738 176.094 -0.304 0.000 1.082 231 V CA 2.548 64.820 62.300 -0.047 0.000 1.101 231 V CB -0.591 31.257 31.823 0.041 0.000 0.693 231 V HN 0.664 nan 8.190 nan 0.000 0.479 232 K N -0.744 119.290 120.400 -0.610 0.000 2.525 232 K HA -0.036 4.284 4.320 -0.000 0.000 0.192 232 K C 1.286 177.387 176.600 -0.831 0.000 1.029 232 K CA 0.685 56.304 56.287 -1.113 0.000 1.029 232 K CB -0.107 31.327 32.500 -1.776 0.000 0.814 232 K HN 0.723 nan 8.250 nan 0.000 0.503 233 H N -0.797 118.158 119.070 -0.192 0.000 2.592 233 H HA 0.243 4.799 4.556 -0.000 0.000 0.279 233 H C -0.129 175.117 175.328 -0.136 0.000 1.089 233 H CA 0.031 55.981 56.048 -0.162 0.000 1.150 233 H CB 0.320 30.014 29.762 -0.114 0.000 1.575 233 H HN 0.112 nan 8.280 nan 0.000 0.547 234 M N 0.806 120.391 119.600 -0.025 0.000 2.572 234 M HA 0.363 4.843 4.480 -0.000 0.000 0.299 234 M C -2.702 173.585 176.300 -0.022 0.000 1.205 234 M CA -1.966 53.322 55.300 -0.020 0.000 0.876 234 M CB 2.910 35.524 32.600 0.024 0.000 1.728 234 M HN -0.234 nan 8.290 nan 0.000 0.458 235 P HA 0.012 nan 4.420 nan 0.000 0.264 235 P C -0.081 177.373 177.300 0.257 0.000 1.193 235 P CA 0.054 63.133 63.100 -0.034 0.000 0.763 235 P CB 0.184 31.959 31.700 0.126 0.000 0.810 236 F N 2.266 122.344 119.950 0.214 0.000 2.134 236 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 236 F C 2.477 178.432 175.800 0.257 0.000 1.097 236 F CA 1.582 59.809 58.000 0.378 0.000 1.264 236 F CB -2.120 37.163 39.000 0.472 0.000 1.001 236 F HN 0.364 nan 8.300 nan 0.000 0.479 237 G N -1.240 107.741 108.800 0.302 0.000 2.422 237 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.218 237 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.218 237 G C 1.585 176.614 174.900 0.216 0.000 1.146 237 G CA 0.628 45.856 45.100 0.215 0.000 0.769 237 G HN 0.482 nan 8.290 nan 0.000 0.547 238 W N 1.399 122.773 121.300 0.123 0.000 2.381 238 W HA -0.045 4.615 4.660 -0.000 0.000 0.301 238 W C 2.752 179.350 176.519 0.132 0.000 1.205 238 W CA 1.608 59.021 57.345 0.113 0.000 1.285 238 W CB -0.097 29.399 29.460 0.062 0.000 1.133 238 W HN 0.290 nan 8.180 nan 0.000 0.521 239 Q N 0.331 120.206 119.800 0.126 0.000 2.124 239 Q HA -0.254 4.086 4.340 -0.000 0.000 0.202 239 Q C 2.193 178.153 176.000 -0.067 0.000 0.977 239 Q CA 1.826 57.611 55.803 -0.030 0.000 0.850 239 Q CB -0.536 28.410 28.738 0.347 0.000 0.901 239 Q HN 0.380 nan 8.270 nan 0.000 0.429 240 K N 0.989 121.391 120.400 0.003 0.000 2.097 240 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 240 K C 2.282 178.820 176.600 -0.102 0.000 1.049 240 K CA 1.582 57.841 56.287 -0.047 0.000 0.933 240 K CB -0.080 32.420 32.500 -0.001 0.000 0.717 240 K HN 0.179 nan 8.250 nan 0.000 0.442 241 S N -0.151 115.461 115.700 -0.147 0.000 2.423 241 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 241 S C 1.844 176.282 174.600 -0.270 0.000 1.014 241 S CA 0.587 58.682 58.200 -0.174 0.000 0.965 241 S CB -0.520 62.601 63.200 -0.132 0.000 0.785 241 S HN 0.462 nan 8.310 nan 0.000 0.495 242 F N 1.658 121.227 119.950 -0.634 0.000 2.206 242 F HA 0.193 4.720 4.527 0.000 0.000 0.298 242 F C 2.154 177.762 175.800 -0.319 0.000 1.090 242 F CA 1.052 58.678 58.000 -0.623 0.000 1.323 242 F CB -0.191 38.167 39.000 -1.070 0.000 1.028 242 F HN 0.122 nan 8.300 nan 0.000 0.492 243 M N 0.290 119.796 119.600 -0.158 0.000 2.254 243 M HA -0.007 4.473 4.480 -0.000 0.000 0.265 243 M C 2.426 178.616 176.300 -0.184 0.000 1.066 243 M CA 1.297 56.504 55.300 -0.156 0.000 1.123 243 M CB -1.829 30.722 32.600 -0.083 0.000 1.388 243 M HN 0.309 nan 8.290 nan 0.000 0.425 244 A N -0.197 122.522 122.820 -0.168 0.000 1.929 244 A HA 0.125 4.445 4.320 -0.000 0.000 0.216 244 A C 2.385 179.888 177.584 -0.135 0.000 1.176 244 A CA 1.625 53.588 52.037 -0.124 0.000 0.628 244 A CB -0.702 18.243 19.000 -0.091 0.000 0.816 244 A HN 0.434 nan 8.150 nan 0.000 0.444 245 A N -0.470 122.223 122.820 -0.213 0.000 1.930 245 A HA 0.055 4.375 4.320 -0.000 0.000 0.217 245 A C 2.205 179.671 177.584 -0.196 0.000 1.175 245 A CA 1.666 53.577 52.037 -0.211 0.000 0.627 245 A CB -0.787 18.040 19.000 -0.287 0.000 0.815 245 A HN 0.323 nan 8.150 nan 0.000 0.443 246 V N 0.999 120.731 119.914 -0.304 0.000 2.270 246 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 246 V C 2.217 178.281 176.094 -0.051 0.000 1.043 246 V CA 2.183 64.364 62.300 -0.198 0.000 1.014 246 V CB -0.980 30.669 31.823 -0.290 0.000 0.645 246 V HN 0.541 nan 8.190 nan 0.000 0.447 247 N N 0.868 119.527 118.700 -0.068 0.000 2.289 247 N HA -0.107 4.633 4.740 -0.000 0.000 0.184 247 N C 1.377 176.890 175.510 0.006 0.000 1.016 247 N CA 1.019 54.056 53.050 -0.021 0.000 0.872 247 N CB -0.494 37.976 38.487 -0.028 0.000 0.973 247 N HN 0.450 nan 8.380 nan 0.000 0.433 248 N N -0.542 118.164 118.700 0.009 0.000 2.398 248 N HA -0.032 4.708 4.740 -0.000 0.000 0.188 248 N C 0.554 176.122 175.510 0.097 0.000 1.122 248 N CA 0.124 53.194 53.050 0.033 0.000 0.866 248 N CB 0.276 38.770 38.487 0.012 0.000 0.970 248 N HN 0.357 nan 8.380 nan 0.000 0.462 249 Y N 0.740 121.005 120.300 -0.058 0.000 3.154 249 Y HA 0.371 4.921 4.550 -0.000 0.000 0.179 249 Y C -0.499 175.382 175.900 -0.032 0.000 0.900 249 Y CA 0.395 58.465 58.100 -0.051 0.000 1.743 249 Y CB 0.540 38.954 38.460 -0.076 0.000 1.362 249 Y HN -0.341 nan 8.280 nan 0.000 0.414 250 K N 2.546 122.784 120.400 -0.270 0.000 2.675 250 K HA 0.325 4.645 4.320 -0.000 0.000 0.224 250 K C -2.888 173.672 176.600 -0.066 0.000 1.003 250 K CA -2.198 53.926 56.287 -0.270 0.000 1.034 250 K CB 1.651 33.918 32.500 -0.388 0.000 1.218 250 K HN 0.076 nan 8.250 nan 0.000 0.507 251 P HA -0.002 nan 4.420 nan 0.000 0.268 251 P C -0.475 176.867 177.300 0.069 0.000 1.204 251 P CA -0.278 62.837 63.100 0.025 0.000 0.768 251 P CB 0.960 32.688 31.700 0.047 0.000 0.842 252 V N 0.836 120.805 119.914 0.092 0.000 2.971 252 V HA 0.488 4.608 4.120 -0.000 0.000 0.309 252 V C -0.478 175.741 176.094 0.208 0.000 1.130 252 V CA -1.441 60.964 62.300 0.175 0.000 0.964 252 V CB 1.711 33.630 31.823 0.160 0.000 1.029 252 V HN 0.332 nan 8.190 nan 0.000 0.427 253 F N 2.910 122.963 119.950 0.171 0.000 2.593 253 F HA 0.498 5.025 4.527 -0.000 0.000 0.393 253 F C 0.481 176.301 175.800 0.035 0.000 1.037 253 F CA 1.108 59.178 58.000 0.117 0.000 1.195 253 F CB 0.158 39.235 39.000 0.129 0.000 1.034 253 F HN 0.788 nan 8.300 nan 0.000 0.552 254 T N 8.190 122.454 114.554 -0.483 0.000 2.848 254 T HA 0.597 4.947 4.350 -0.000 0.000 0.285 254 T C -1.157 173.272 174.700 -0.451 0.000 0.995 254 T CA -0.332 61.527 62.100 -0.401 0.000 0.970 254 T CB 0.983 69.742 68.868 -0.181 0.000 0.976 254 T HN 0.402 nan 8.240 nan 0.000 0.441 255 F N -0.369 119.282 119.950 -0.498 0.000 2.578 255 F HA 0.889 5.416 4.527 -0.000 0.000 0.311 255 F C -0.018 175.706 175.800 -0.127 0.000 1.094 255 F CA -1.468 56.332 58.000 -0.334 0.000 0.923 255 F CB 1.004 39.782 39.000 -0.370 0.000 1.230 255 F HN 0.712 nan 8.300 nan 0.000 0.450 256 G N 0.551 109.422 108.800 0.118 0.000 2.489 256 G HA2 0.497 4.457 3.960 -0.000 0.000 0.327 256 G HA3 0.497 4.457 3.960 -0.000 0.000 0.327 256 G C -1.770 173.281 174.900 0.252 0.000 1.189 256 G CA -0.937 44.244 45.100 0.135 0.000 0.962 256 G HN 0.939 nan 8.290 nan 0.000 0.486 257 E N 0.225 120.572 120.200 0.244 0.000 2.130 257 E HA 0.246 4.596 4.350 -0.000 0.000 0.284 257 E C -1.216 175.594 176.600 0.350 0.000 1.018 257 E CA -0.868 55.757 56.400 0.375 0.000 0.817 257 E CB 0.770 30.699 29.700 0.382 0.000 1.078 257 E HN 0.437 nan 8.360 nan 0.000 0.396 258 W N 8.462 129.860 121.300 0.163 0.000 2.516 258 W HA 0.244 4.904 4.660 -0.000 0.000 0.293 258 W C -1.720 174.679 176.519 -0.200 0.000 1.006 258 W CA -1.770 55.569 57.345 -0.009 0.000 1.483 258 W CB 0.080 29.517 29.460 -0.039 0.000 1.316 258 W HN 0.512 nan 8.180 nan 0.000 0.411 259 F N 5.613 125.373 119.950 -0.317 0.000 2.629 259 F HA 0.241 4.768 4.527 -0.000 0.000 0.377 259 F C -0.545 175.087 175.800 -0.280 0.000 1.101 259 F CA 0.989 58.467 58.000 -0.871 0.000 1.301 259 F CB 0.599 39.250 39.000 -0.581 0.000 1.062 259 F HN 0.178 nan 8.300 nan 0.000 0.583 260 L N 5.860 126.394 121.223 -1.148 0.000 2.408 260 L HA 0.547 4.887 4.340 -0.000 0.000 0.268 260 L C 0.440 176.854 176.870 -0.759 0.000 0.986 260 L CA -0.885 53.693 54.840 -0.435 0.000 0.820 260 L CB 1.784 43.816 42.059 -0.045 0.000 1.303 260 L HN 0.784 nan 8.230 nan 0.000 0.411 261 G N 1.175 109.862 108.800 -0.188 0.000 2.543 261 G HA2 0.468 4.428 3.960 -0.000 0.000 0.290 261 G HA3 0.468 4.428 3.960 -0.000 0.000 0.290 261 G C -0.248 174.668 174.900 0.026 0.000 1.310 261 G CA -0.586 44.529 45.100 0.024 0.000 1.025 261 G HN 0.283 nan 8.290 nan 0.000 0.502 262 V N 1.948 121.909 119.914 0.077 0.000 2.557 262 V HA -0.007 4.113 4.120 -0.000 0.000 0.301 262 V C 0.856 176.979 176.094 0.049 0.000 1.026 262 V CA 0.514 62.849 62.300 0.058 0.000 1.137 262 V CB 0.503 32.362 31.823 0.060 0.000 0.917 262 V HN 0.937 nan 8.190 nan 0.000 0.484 263 N N 1.336 120.060 118.700 0.040 0.000 2.900 263 N HA -0.201 4.539 4.740 -0.000 0.000 0.240 263 N C 0.457 175.995 175.510 0.046 0.000 0.953 263 N CA 1.531 54.604 53.050 0.039 0.000 0.950 263 N CB -0.602 37.905 38.487 0.033 0.000 1.102 263 N HN 0.980 nan 8.380 nan 0.000 0.593 264 E N 1.051 121.282 120.200 0.051 0.000 2.289 264 E HA 0.397 4.747 4.350 -0.000 0.000 0.278 264 E C -0.842 175.791 176.600 0.055 0.000 1.032 264 E CA -0.338 56.095 56.400 0.055 0.000 0.854 264 E CB 0.984 30.723 29.700 0.065 0.000 1.046 264 E HN 0.008 nan 8.360 nan 0.000 0.409 265 V N 4.087 124.025 119.914 0.040 0.000 2.447 265 V HA 0.218 4.338 4.120 -0.000 0.000 0.292 265 V C -0.549 175.496 176.094 -0.082 0.000 1.021 265 V CA -0.694 61.623 62.300 0.030 0.000 0.850 265 V CB 1.583 33.452 31.823 0.076 0.000 1.005 265 V HN 0.649 nan 8.190 nan 0.000 0.426 266 S N 6.450 122.001 115.700 -0.247 0.000 2.474 266 S HA 0.540 5.010 4.470 -0.000 0.000 0.321 266 S C -1.863 172.318 174.600 -0.698 0.000 1.080 266 S CA -1.535 56.481 58.200 -0.306 0.000 1.106 266 S CB 2.011 65.128 63.200 -0.138 0.000 0.984 266 S HN 0.475 nan 8.310 nan 0.000 0.464 267 P HA -0.023 nan 4.420 nan 0.000 0.220 267 P C 1.114 178.265 177.300 -0.248 0.000 1.148 267 P CA 0.767 63.645 63.100 -0.369 0.000 0.803 267 P CB 0.228 31.874 31.700 -0.090 0.000 0.782 268 E N -0.518 119.594 120.200 -0.146 0.000 2.047 268 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 268 E C 1.966 178.372 176.600 -0.324 0.000 0.987 268 E CA 1.114 57.511 56.400 -0.005 0.000 0.799 268 E CB -0.435 29.430 29.700 0.275 0.000 0.752 268 E HN 0.228 nan 8.360 nan 0.000 0.449 269 N N -0.228 118.037 118.700 -0.724 0.000 2.069 269 N HA -0.209 4.531 4.740 -0.000 0.000 0.191 269 N C 1.693 176.928 175.510 -0.459 0.000 1.031 269 N CA 1.659 53.963 53.050 -1.243 0.000 0.852 269 N CB -0.071 37.768 38.487 -1.080 0.000 1.018 269 N HN 0.264 nan 8.380 nan 0.000 0.423 270 H N -0.563 118.309 119.070 -0.330 0.000 2.319 270 H HA -0.113 4.443 4.556 -0.000 0.000 0.299 270 H C 2.043 177.290 175.328 -0.135 0.000 1.092 270 H CA 1.309 57.179 56.048 -0.296 0.000 1.302 270 H CB -0.027 29.504 29.762 -0.384 0.000 1.373 270 H HN 0.246 nan 8.280 nan 0.000 0.497 271 K N 0.617 121.024 120.400 0.011 0.000 2.097 271 K HA -0.162 4.158 4.320 -0.000 0.000 0.205 271 K C 1.944 178.557 176.600 0.020 0.000 1.050 271 K CA 1.015 57.320 56.287 0.030 0.000 0.938 271 K CB -0.116 32.421 32.500 0.061 0.000 0.718 271 K HN 0.142 nan 8.250 nan 0.000 0.442 272 F N 1.137 120.988 119.950 -0.165 0.000 2.075 272 F HA -0.126 4.401 4.527 -0.000 0.000 0.297 272 F C 2.020 177.776 175.800 -0.073 0.000 1.113 272 F CA 1.688 59.576 58.000 -0.187 0.000 1.218 272 F CB -0.539 38.242 39.000 -0.365 0.000 0.984 272 F HN 0.084 nan 8.300 nan 0.000 0.472 273 A N 0.044 122.895 122.820 0.052 0.000 1.972 273 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 273 A C 1.865 179.450 177.584 0.002 0.000 1.169 273 A CA 1.817 53.893 52.037 0.064 0.000 0.635 273 A CB -0.759 18.418 19.000 0.295 0.000 0.810 273 A HN 0.505 nan 8.150 nan 0.000 0.446 274 N N -0.425 118.281 118.700 0.009 0.000 2.416 274 N HA -0.005 4.735 4.740 -0.000 0.000 0.177 274 N C 1.079 176.554 175.510 -0.059 0.000 1.036 274 N CA 1.173 54.219 53.050 -0.006 0.000 0.901 274 N CB 0.066 38.558 38.487 0.008 0.000 0.976 274 N HN 0.706 nan 8.380 nan 0.000 0.444 275 E N -1.224 118.909 120.200 -0.112 0.000 2.603 275 E HA 0.093 4.443 4.350 -0.000 0.000 0.224 275 E C 1.198 177.687 176.600 -0.185 0.000 0.896 275 E CA 0.063 56.395 56.400 -0.114 0.000 1.224 275 E CB 0.386 30.057 29.700 -0.048 0.000 1.206 275 E HN 0.208 nan 8.360 nan 0.000 0.576 276 S N 0.082 115.561 115.700 -0.368 0.000 2.428 276 S HA 0.042 4.512 4.470 -0.000 0.000 0.230 276 S C 1.787 176.216 174.600 -0.285 0.000 1.014 276 S CA 0.926 58.854 58.200 -0.455 0.000 0.957 276 S CB 0.103 62.619 63.200 -1.140 0.000 0.784 276 S HN 0.342 nan 8.310 nan 0.000 0.499 277 G N 1.197 109.853 108.800 -0.241 0.000 2.163 277 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.213 277 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.213 277 G C -0.154 174.659 174.900 -0.146 0.000 0.991 277 G CA 0.112 45.113 45.100 -0.164 0.000 0.653 277 G HN 0.986 nan 8.290 nan 0.000 0.518 278 M N -0.157 119.329 119.600 -0.190 0.000 2.593 278 M HA 0.819 5.299 4.480 -0.000 0.000 0.290 278 M C 0.246 176.479 176.300 -0.111 0.000 1.244 278 M CA -0.202 55.013 55.300 -0.141 0.000 0.857 278 M CB 1.989 34.543 32.600 -0.077 0.000 1.738 278 M HN 0.607 nan 8.290 nan 0.000 0.461 279 S N 1.946 117.595 115.700 -0.086 0.000 2.647 279 S HA 0.888 5.358 4.470 -0.000 0.000 0.284 279 S C -0.410 174.256 174.600 0.110 0.000 1.134 279 S CA -0.799 57.399 58.200 -0.003 0.000 1.027 279 S CB 1.042 64.238 63.200 -0.006 0.000 1.180 279 S HN 0.782 nan 8.310 nan 0.000 0.521 280 L N -0.406 120.886 121.223 0.115 0.000 2.409 280 L HA 0.496 4.836 4.340 -0.000 0.000 0.255 280 L C -0.979 176.016 176.870 0.209 0.000 1.027 280 L CA -0.997 53.981 54.840 0.230 0.000 0.834 280 L CB 1.755 43.969 42.059 0.258 0.000 1.426 280 L HN 0.576 nan 8.230 nan 0.000 0.411 281 L N 1.444 122.878 121.223 0.350 0.000 2.455 281 L HA 0.071 4.411 4.340 -0.000 0.000 0.272 281 L C 0.014 177.127 176.870 0.406 0.000 1.174 281 L CA 0.121 55.165 54.840 0.340 0.000 0.869 281 L CB 0.288 42.564 42.059 0.362 0.000 1.130 281 L HN 0.497 nan 8.230 nan 0.000 0.474 282 D N 3.337 123.926 120.400 0.315 0.000 2.558 282 D HA 0.041 4.681 4.640 -0.000 0.000 0.221 282 D C 0.856 177.246 176.300 0.151 0.000 1.143 282 D CA 0.047 54.148 54.000 0.168 0.000 1.010 282 D CB 0.278 41.042 40.800 -0.060 0.000 1.068 282 D HN 0.287 nan 8.370 nan 0.000 0.511 283 F N 1.124 121.229 119.950 0.258 0.000 2.234 283 F HA -0.044 4.483 4.527 -0.000 0.000 0.299 283 F C 2.543 178.361 175.800 0.029 0.000 1.087 283 F CA 0.675 58.755 58.000 0.134 0.000 1.340 283 F CB 0.006 39.047 39.000 0.069 0.000 1.031 283 F HN 0.270 nan 8.300 nan 0.000 0.500 284 R N -0.406 120.253 120.500 0.264 0.000 2.092 284 R HA -0.209 4.131 4.340 -0.000 0.000 0.231 284 R C 2.287 178.684 176.300 0.162 0.000 1.119 284 R CA 1.593 57.815 56.100 0.204 0.000 0.970 284 R CB -0.613 29.851 30.300 0.272 0.000 0.864 284 R HN 0.311 nan 8.270 nan 0.000 0.440 285 F N 0.907 120.858 119.950 0.001 0.000 2.113 285 F HA -0.009 4.518 4.527 -0.000 0.000 0.297 285 F C 2.112 177.844 175.800 -0.113 0.000 1.103 285 F CA 1.436 59.418 58.000 -0.030 0.000 1.248 285 F CB -0.543 38.419 39.000 -0.065 0.000 0.999 285 F HN 0.089 nan 8.300 nan 0.000 0.475 286 A N 0.330 123.129 122.820 -0.035 0.000 1.883 286 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 286 A C 2.154 179.652 177.584 -0.142 0.000 1.186 286 A CA 1.792 53.633 52.037 -0.327 0.000 0.624 286 A CB -0.887 17.380 19.000 -1.222 0.000 0.822 286 A HN 0.544 nan 8.150 nan 0.000 0.444 287 Q N -0.632 119.128 119.800 -0.067 0.000 2.124 287 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 287 Q C 2.060 178.054 176.000 -0.010 0.000 0.977 287 Q CA 1.812 57.619 55.803 0.007 0.000 0.850 287 Q CB -0.330 28.431 28.738 0.039 0.000 0.901 287 Q HN 0.626 nan 8.270 nan 0.000 0.429 288 K N 0.760 121.132 120.400 -0.047 0.000 2.097 288 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 288 K C 1.929 178.468 176.600 -0.103 0.000 1.050 288 K CA 0.638 56.878 56.287 -0.078 0.000 0.938 288 K CB -0.250 32.195 32.500 -0.093 0.000 0.718 288 K HN -0.030 nan 8.250 nan 0.000 0.442 289 V N 1.060 120.902 119.914 -0.119 0.000 2.407 289 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 289 V C 2.304 178.550 176.094 0.254 0.000 1.055 289 V CA 1.863 64.186 62.300 0.039 0.000 1.049 289 V CB -0.413 31.390 31.823 -0.034 0.000 0.662 289 V HN 0.311 nan 8.190 nan 0.000 0.455 290 R N -0.526 120.081 120.500 0.178 0.000 2.073 290 R HA -0.135 4.205 4.340 -0.000 0.000 0.229 290 R C 2.424 178.746 176.300 0.038 0.000 1.120 290 R CA 1.373 57.568 56.100 0.158 0.000 0.967 290 R CB -0.307 30.039 30.300 0.078 0.000 0.862 290 R HN 0.593 nan 8.270 nan 0.000 0.436 291 Q N 0.106 119.905 119.800 -0.001 0.000 2.061 291 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 291 Q C 2.210 178.159 176.000 -0.084 0.000 0.984 291 Q CA 1.706 57.485 55.803 -0.041 0.000 0.846 291 Q CB -0.045 28.665 28.738 -0.046 0.000 0.902 291 Q HN 0.174 nan 8.270 nan 0.000 0.421 292 V N -0.436 119.389 119.914 -0.149 0.000 2.379 292 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 292 V C 1.582 177.438 176.094 -0.395 0.000 1.044 292 V CA 1.674 63.761 62.300 -0.354 0.000 1.036 292 V CB -0.356 31.091 31.823 -0.626 0.000 0.664 292 V HN 0.247 nan 8.190 nan 0.000 0.453 293 F N -0.904 119.045 119.950 -0.002 0.000 2.622 293 F HA 0.256 4.783 4.527 -0.000 0.000 0.288 293 F C 2.351 178.225 175.800 0.124 0.000 1.120 293 F CA 0.624 58.682 58.000 0.096 0.000 1.423 293 F CB -0.043 39.072 39.000 0.192 0.000 1.127 293 F HN -0.114 nan 8.300 nan 0.000 0.588 294 R N 0.303 120.895 120.500 0.153 0.000 2.064 294 R HA 0.022 4.362 4.340 -0.000 0.000 0.210 294 R C 1.012 177.233 176.300 -0.132 0.000 1.221 294 R CA 1.067 57.053 56.100 -0.190 0.000 1.055 294 R CB -0.055 29.821 30.300 -0.706 0.000 0.946 294 R HN 0.012 nan 8.270 nan 0.000 0.459 295 D N 0.431 120.767 120.400 -0.105 0.000 2.349 295 D HA -0.042 4.598 4.640 -0.000 0.000 0.215 295 D C -0.146 176.122 176.300 -0.053 0.000 1.016 295 D CA 0.256 54.210 54.000 -0.077 0.000 0.870 295 D CB -0.219 40.542 40.800 -0.065 0.000 0.917 295 D HN 0.213 nan 8.370 nan 0.000 0.524 296 N N 0.711 119.379 118.700 -0.053 0.000 2.714 296 N HA -0.181 4.559 4.740 -0.000 0.000 0.253 296 N C 0.109 175.591 175.510 -0.046 0.000 1.024 296 N CA 1.111 54.129 53.050 -0.053 0.000 0.726 296 N CB -1.366 37.099 38.487 -0.037 0.000 0.908 296 N HN 0.244 nan 8.380 nan 0.000 0.542 297 T N -4.077 110.447 114.554 -0.049 0.000 3.040 297 T HA 0.325 4.675 4.350 -0.000 0.000 0.266 297 T C 0.037 174.715 174.700 -0.037 0.000 1.005 297 T CA -0.065 62.014 62.100 -0.035 0.000 0.906 297 T CB 0.740 69.593 68.868 -0.025 0.000 1.082 297 T HN 0.287 nan 8.240 nan 0.000 0.531 298 D N 1.015 121.380 120.400 -0.059 0.000 2.639 298 D HA 0.409 5.049 4.640 -0.000 0.000 0.271 298 D C -1.477 174.767 176.300 -0.093 0.000 1.254 298 D CA -0.503 53.462 54.000 -0.058 0.000 0.810 298 D CB 1.838 42.604 40.800 -0.056 0.000 1.351 298 D HN 0.240 nan 8.370 nan 0.000 0.427 299 N N -0.100 118.559 118.700 -0.069 0.000 3.002 299 N HA 0.270 5.010 4.740 -0.000 0.000 0.331 299 N C 0.914 176.327 175.510 -0.162 0.000 1.384 299 N CA -0.505 52.482 53.050 -0.106 0.000 0.780 299 N CB 0.146 38.631 38.487 -0.003 0.000 1.492 299 N HN 0.191 nan 8.380 nan 0.000 0.608 300 M N -0.779 118.676 119.600 -0.242 0.000 2.195 300 M HA -0.092 4.388 4.480 -0.000 0.000 0.260 300 M C 1.228 177.366 176.300 -0.270 0.000 1.066 300 M CA 1.603 56.714 55.300 -0.315 0.000 1.089 300 M CB -1.472 30.917 32.600 -0.352 0.000 1.377 300 M HN 0.536 nan 8.290 nan 0.000 0.411 301 Y N -0.182 120.080 120.300 -0.063 0.000 2.274 301 Y HA -0.061 4.489 4.550 -0.000 0.000 0.290 301 Y C 2.605 178.477 175.900 -0.045 0.000 1.145 301 Y CA 1.391 59.465 58.100 -0.043 0.000 1.203 301 Y CB -1.231 37.205 38.460 -0.040 0.000 0.984 301 Y HN 0.314 nan 8.280 nan 0.000 0.533 302 G N -0.768 108.073 108.800 0.068 0.000 2.430 302 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.216 302 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.216 302 G C 1.570 176.449 174.900 -0.035 0.000 1.146 302 G CA 0.528 45.637 45.100 0.014 0.000 0.793 302 G HN 0.318 nan 8.290 nan 0.000 0.537 303 L N 0.780 121.943 121.223 -0.100 0.000 2.056 303 L HA 0.150 4.490 4.340 -0.000 0.000 0.207 303 L C 2.690 179.535 176.870 -0.042 0.000 1.078 303 L CA 2.157 56.916 54.840 -0.135 0.000 0.749 303 L CB -0.337 41.558 42.059 -0.274 0.000 0.901 303 L HN 0.264 nan 8.230 nan 0.000 0.433 304 K N -0.598 119.789 120.400 -0.021 0.000 2.057 304 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 304 K C 1.945 178.576 176.600 0.051 0.000 1.050 304 K CA 1.335 57.640 56.287 0.030 0.000 0.935 304 K CB -0.237 32.285 32.500 0.037 0.000 0.715 304 K HN 0.356 nan 8.250 nan 0.000 0.439 305 A N 1.698 124.549 122.820 0.051 0.000 1.969 305 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 305 A C 2.151 179.765 177.584 0.050 0.000 1.169 305 A CA 1.436 53.504 52.037 0.052 0.000 0.635 305 A CB -0.551 18.479 19.000 0.050 0.000 0.810 305 A HN 0.504 nan 8.150 nan 0.000 0.445 306 M N -0.128 119.499 119.600 0.045 0.000 2.099 306 M HA -0.057 4.423 4.480 -0.000 0.000 0.262 306 M C 1.946 178.304 176.300 0.096 0.000 1.067 306 M CA 1.664 57.003 55.300 0.065 0.000 1.124 306 M CB -0.873 31.751 32.600 0.041 0.000 1.353 306 M HN 0.417 nan 8.290 nan 0.000 0.410 307 L N 0.261 121.539 121.223 0.092 0.000 2.012 307 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 307 L C 2.382 179.304 176.870 0.087 0.000 1.073 307 L CA 1.690 56.596 54.840 0.109 0.000 0.748 307 L CB -0.688 41.423 42.059 0.087 0.000 0.891 307 L HN 0.377 nan 8.230 nan 0.000 0.431 308 E N -0.374 119.867 120.200 0.069 0.000 2.107 308 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 308 E C 2.209 178.832 176.600 0.038 0.000 0.982 308 E CA 0.942 57.374 56.400 0.054 0.000 0.809 308 E CB -0.269 29.461 29.700 0.050 0.000 0.756 308 E HN 0.559 nan 8.360 nan 0.000 0.459 309 G N 1.692 110.514 108.800 0.036 0.000 2.414 309 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.215 309 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.215 309 G C 1.804 176.688 174.900 -0.026 0.000 1.188 309 G CA 1.244 46.347 45.100 0.005 0.000 0.783 309 G HN 0.383 nan 8.290 nan 0.000 0.537 310 S N 1.349 117.074 115.700 0.042 0.000 2.382 310 S HA 0.105 4.575 4.470 -0.000 0.000 0.228 310 S C 2.600 177.274 174.600 0.123 0.000 1.027 310 S CA 1.554 59.821 58.200 0.112 0.000 0.991 310 S CB -0.512 62.866 63.200 0.296 0.000 0.823 310 S HN 0.614 nan 8.310 nan 0.000 0.469 311 A N 1.954 124.825 122.820 0.086 0.000 1.933 311 A HA 0.276 4.596 4.320 -0.000 0.000 0.218 311 A C 2.501 180.098 177.584 0.021 0.000 1.175 311 A CA 1.804 53.881 52.037 0.067 0.000 0.628 311 A CB -1.360 17.675 19.000 0.058 0.000 0.814 311 A HN 0.884 nan 8.150 nan 0.000 0.444 312 A N -0.197 122.613 122.820 -0.017 0.000 1.898 312 A HA -0.066 4.254 4.320 -0.000 0.000 0.214 312 A C 1.749 179.257 177.584 -0.126 0.000 1.183 312 A CA 1.587 53.592 52.037 -0.054 0.000 0.622 312 A CB -0.388 18.585 19.000 -0.045 0.000 0.824 312 A HN 0.428 nan 8.150 nan 0.000 0.444 313 D N -1.287 118.960 120.400 -0.255 0.000 2.149 313 D HA -0.018 4.622 4.640 -0.000 0.000 0.201 313 D C -0.262 175.702 176.300 -0.560 0.000 0.972 313 D CA 0.857 54.533 54.000 -0.540 0.000 0.835 313 D CB -0.246 39.878 40.800 -1.127 0.000 0.966 313 D HN 0.472 nan 8.370 nan 0.000 0.476 314 Y N 0.317 120.488 120.300 -0.215 0.000 2.350 314 Y HA 0.394 4.944 4.550 -0.000 0.000 0.340 314 Y C 1.294 177.143 175.900 -0.084 0.000 1.006 314 Y CA -0.737 57.290 58.100 -0.122 0.000 1.166 314 Y CB 1.413 39.827 38.460 -0.077 0.000 1.168 314 Y HN -0.159 nan 8.280 nan 0.000 0.502 315 A N 2.869 125.729 122.820 0.067 0.000 1.940 315 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 315 A C 0.771 178.345 177.584 -0.017 0.000 1.176 315 A CA 1.328 53.363 52.037 -0.003 0.000 0.631 315 A CB -0.231 18.760 19.000 -0.014 0.000 0.814 315 A HN 0.776 nan 8.150 nan 0.000 0.446 316 Q N -1.152 118.678 119.800 0.050 0.000 2.907 316 Q HA 0.406 4.746 4.340 -0.000 0.000 0.262 316 Q C 0.401 176.448 176.000 0.079 0.000 0.997 316 Q CA -0.126 55.704 55.803 0.045 0.000 0.797 316 Q CB 1.188 29.980 28.738 0.090 0.000 1.228 316 Q HN 0.131 nan 8.270 nan 0.000 0.466 317 V N 1.397 121.357 119.914 0.077 0.000 2.568 317 V HA -0.253 3.867 4.120 -0.000 0.000 0.253 317 V C 0.879 176.973 176.094 0.001 0.000 1.072 317 V CA 2.184 64.506 62.300 0.036 0.000 1.084 317 V CB 0.115 31.986 31.823 0.080 0.000 0.676 317 V HN 0.728 nan 8.190 nan 0.000 0.469 318 D N -0.514 119.934 120.400 0.080 0.000 2.371 318 D HA -0.101 4.539 4.640 -0.000 0.000 0.221 318 D C 1.022 177.400 176.300 0.129 0.000 0.986 318 D CA 0.804 54.867 54.000 0.105 0.000 0.899 318 D CB 0.006 40.935 40.800 0.216 0.000 0.902 318 D HN 0.507 nan 8.370 nan 0.000 0.530 319 D N 0.477 120.975 120.400 0.163 0.000 2.360 319 D HA -0.006 4.634 4.640 -0.000 0.000 0.210 319 D C 0.523 176.908 176.300 0.142 0.000 1.047 319 D CA 0.256 54.423 54.000 0.279 0.000 0.854 319 D CB 0.409 41.421 40.800 0.353 0.000 0.936 319 D HN 0.084 nan 8.370 nan 0.000 0.514 320 Q N 0.747 120.512 119.800 -0.058 0.000 2.304 320 Q HA 0.183 4.523 4.340 -0.000 0.000 0.260 320 Q C -0.030 175.864 176.000 -0.175 0.000 0.965 320 Q CA -0.194 55.504 55.803 -0.176 0.000 0.898 320 Q CB 1.715 30.221 28.738 -0.387 0.000 1.196 320 Q HN -0.105 nan 8.270 nan 0.000 0.402 321 V N 3.763 123.579 119.914 -0.163 0.000 2.339 321 V HA 0.150 4.270 4.120 -0.000 0.000 0.261 321 V C 0.724 176.797 176.094 -0.036 0.000 1.058 321 V CA -0.463 61.711 62.300 -0.211 0.000 0.897 321 V CB 0.161 31.664 31.823 -0.533 0.000 1.052 321 V HN 0.843 nan 8.190 nan 0.000 0.480 322 T N 2.761 117.208 114.554 -0.179 0.000 2.849 322 T HA 0.804 5.154 4.350 -0.000 0.000 0.284 322 T C -0.535 174.251 174.700 0.142 0.000 1.004 322 T CA -0.376 61.557 62.100 -0.279 0.000 1.021 322 T CB 1.447 69.706 68.868 -1.015 0.000 1.013 322 T HN 0.672 nan 8.240 nan 0.000 0.527 323 F N -1.124 118.816 119.950 -0.018 0.000 2.858 323 F HA 0.530 5.057 4.527 -0.000 0.000 0.319 323 F C -0.021 175.864 175.800 0.142 0.000 1.166 323 F CA -1.374 56.657 58.000 0.052 0.000 0.899 323 F CB 0.687 39.705 39.000 0.030 0.000 1.332 323 F HN 0.601 nan 8.300 nan 0.000 0.461 324 I N -1.381 119.293 120.570 0.172 0.000 4.288 324 I HA 0.471 4.641 4.170 -0.000 0.000 0.331 324 I C -0.967 175.334 176.117 0.307 0.000 1.322 324 I CA 0.151 61.519 61.300 0.114 0.000 1.149 324 I CB 0.694 38.623 38.000 -0.120 0.000 1.112 324 I HN 0.679 nan 8.210 nan 0.000 0.403 325 D N 0.742 121.382 120.400 0.399 0.000 2.755 325 D HA 0.355 4.995 4.640 -0.000 0.000 0.277 325 D C -1.204 175.176 176.300 0.133 0.000 1.261 325 D CA -0.576 53.619 54.000 0.326 0.000 0.759 325 D CB 0.703 41.676 40.800 0.288 0.000 1.279 325 D HN 0.318 nan 8.370 nan 0.000 0.420 326 N N -2.566 116.013 118.700 -0.202 0.000 3.378 326 N HA 0.157 4.897 4.740 -0.000 0.000 0.294 326 N C 0.696 175.699 175.510 -0.845 0.000 1.544 326 N CA -0.479 52.138 53.050 -0.721 0.000 0.872 326 N CB -0.132 38.090 38.487 -0.443 0.000 1.670 326 N HN 0.552 nan 8.380 nan 0.000 0.551 327 H N -1.845 116.840 119.070 -0.643 0.000 2.543 327 H HA 0.097 4.653 4.556 -0.000 0.000 0.286 327 H C -0.720 174.598 175.328 -0.017 0.000 1.037 327 H CA 0.992 56.917 56.048 -0.204 0.000 1.250 327 H CB -0.251 29.667 29.762 0.260 0.000 1.373 327 H HN 0.519 nan 8.280 nan 0.000 0.580 328 D N 0.457 120.595 120.400 -0.437 0.000 2.462 328 D HA 0.254 4.894 4.640 -0.000 0.000 0.221 328 D C 0.351 176.662 176.300 0.018 0.000 1.173 328 D CA 0.057 53.963 54.000 -0.157 0.000 0.831 328 D CB 0.635 41.353 40.800 -0.137 0.000 1.001 328 D HN 0.382 nan 8.370 nan 0.000 0.499 329 M N -0.082 119.526 119.600 0.014 0.000 2.631 329 M HA 0.303 4.783 4.480 -0.000 0.000 0.288 329 M C -0.159 176.180 176.300 0.066 0.000 1.260 329 M CA -0.862 54.497 55.300 0.098 0.000 0.842 329 M CB 2.656 35.358 32.600 0.170 0.000 1.743 329 M HN -0.305 nan 8.290 nan 0.000 0.461 330 E N 1.798 122.042 120.200 0.073 0.000 2.398 330 E HA 0.150 4.500 4.350 -0.000 0.000 0.263 330 E C -0.561 176.096 176.600 0.094 0.000 1.046 330 E CA -0.143 56.294 56.400 0.061 0.000 0.908 330 E CB 0.641 30.361 29.700 0.033 0.000 0.963 330 E HN 0.395 nan 8.360 nan 0.000 0.431 331 R N 1.894 122.460 120.500 0.110 0.000 2.585 331 R HA -0.070 4.270 4.340 -0.000 0.000 0.275 331 R C 1.010 177.425 176.300 0.192 0.000 1.018 331 R CA -0.033 56.172 56.100 0.175 0.000 1.072 331 R CB 0.136 30.532 30.300 0.160 0.000 0.953 331 R HN 0.606 nan 8.270 nan 0.000 0.419 332 F N 2.036 122.065 119.950 0.133 0.000 2.091 332 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 332 F C 1.333 177.228 175.800 0.158 0.000 1.103 332 F CA 1.717 59.797 58.000 0.133 0.000 1.228 332 F CB -0.283 38.797 39.000 0.133 0.000 0.984 332 F HN 0.544 nan 8.300 nan 0.000 0.477 333 H N 0.710 119.977 119.070 0.328 0.000 2.944 333 H HA 0.461 5.017 4.556 -0.000 0.000 0.278 333 H C -0.325 175.072 175.328 0.115 0.000 1.083 333 H CA -0.474 55.722 56.048 0.247 0.000 1.479 333 H CB 0.171 30.113 29.762 0.299 0.000 1.486 333 H HN 0.263 nan 8.280 nan 0.000 0.493 334 A N 3.997 126.592 122.820 -0.375 0.000 2.331 334 A HA 0.217 4.537 4.320 -0.000 0.000 0.283 334 A C 1.563 178.860 177.584 -0.479 0.000 1.142 334 A CA 0.029 51.883 52.037 -0.306 0.000 0.812 334 A CB 0.557 19.434 19.000 -0.204 0.000 1.074 334 A HN 0.881 nan 8.150 nan 0.000 0.497 335 S N 1.154 116.710 115.700 -0.239 0.000 2.392 335 S HA -0.184 4.286 4.470 -0.000 0.000 0.232 335 S C 1.740 176.265 174.600 -0.124 0.000 1.041 335 S CA 1.982 60.096 58.200 -0.143 0.000 1.026 335 S CB -0.387 62.782 63.200 -0.051 0.000 0.845 335 S HN 0.920 nan 8.310 nan 0.000 0.465 336 N N 0.550 119.174 118.700 -0.127 0.000 2.336 336 N HA 0.185 4.925 4.740 -0.000 0.000 0.189 336 N C 0.293 175.763 175.510 -0.067 0.000 1.113 336 N CA 0.186 53.193 53.050 -0.072 0.000 0.858 336 N CB 0.058 38.513 38.487 -0.054 0.000 0.970 336 N HN 0.271 nan 8.380 nan 0.000 0.471 337 A N 1.325 124.057 122.820 -0.146 0.000 2.351 337 A HA 0.153 4.473 4.320 -0.000 0.000 0.257 337 A C 0.325 177.985 177.584 0.126 0.000 1.087 337 A CA -0.508 51.500 52.037 -0.047 0.000 0.798 337 A CB 0.274 19.210 19.000 -0.106 0.000 1.033 337 A HN 0.282 nan 8.150 nan 0.000 0.488 338 N N 0.488 119.269 118.700 0.135 0.000 2.475 338 N HA 0.026 4.766 4.740 -0.000 0.000 0.267 338 N C 1.023 176.677 175.510 0.241 0.000 1.169 338 N CA 0.008 53.148 53.050 0.149 0.000 0.947 338 N CB 0.548 39.100 38.487 0.109 0.000 1.061 338 N HN 0.619 nan 8.380 nan 0.000 0.466 339 R N 2.314 122.921 120.500 0.178 0.000 2.193 339 R HA -0.136 4.204 4.340 -0.000 0.000 0.229 339 R C 1.516 177.934 176.300 0.196 0.000 1.110 339 R CA 0.786 56.963 56.100 0.129 0.000 0.988 339 R CB -0.032 30.131 30.300 -0.229 0.000 0.871 339 R HN 0.465 nan 8.270 nan 0.000 0.458 340 R N 2.075 122.665 120.500 0.148 0.000 2.159 340 R HA -0.104 4.236 4.340 -0.000 0.000 0.237 340 R C 1.533 177.937 176.300 0.174 0.000 1.131 340 R CA 1.562 57.743 56.100 0.136 0.000 0.982 340 R CB -0.132 30.232 30.300 0.106 0.000 0.868 340 R HN 0.148 nan 8.270 nan 0.000 0.453 341 K N -0.002 120.548 120.400 0.250 0.000 2.057 341 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 341 K C 2.104 178.915 176.600 0.352 0.000 1.049 341 K CA 1.610 58.106 56.287 0.348 0.000 0.931 341 K CB -0.395 32.345 32.500 0.400 0.000 0.714 341 K HN 0.261 nan 8.250 nan 0.000 0.440 342 L N 1.714 123.150 121.223 0.356 0.000 2.027 342 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 342 L C 2.098 178.907 176.870 -0.103 0.000 1.074 342 L CA 1.488 56.373 54.840 0.076 0.000 0.745 342 L CB -0.103 42.098 42.059 0.236 0.000 0.898 342 L HN 0.118 nan 8.230 nan 0.000 0.433 343 E N -0.488 119.730 120.200 0.029 0.000 2.070 343 E HA -0.309 4.041 4.350 -0.000 0.000 0.197 343 E C 2.228 178.775 176.600 -0.088 0.000 1.004 343 E CA 1.905 58.298 56.400 -0.011 0.000 0.805 343 E CB -0.138 29.601 29.700 0.064 0.000 0.744 343 E HN 0.599 nan 8.360 nan 0.000 0.451 344 Q N -0.141 119.602 119.800 -0.095 0.000 2.016 344 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 344 Q C 2.361 178.083 176.000 -0.464 0.000 0.978 344 Q CA 1.234 56.923 55.803 -0.190 0.000 0.833 344 Q CB -0.210 28.472 28.738 -0.094 0.000 0.895 344 Q HN 0.285 nan 8.270 nan 0.000 0.427 345 A N 0.701 123.140 122.820 -0.635 0.000 1.940 345 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 345 A C 2.009 179.361 177.584 -0.386 0.000 1.176 345 A CA 1.183 52.756 52.037 -0.774 0.000 0.631 345 A CB -0.541 17.926 19.000 -0.888 0.000 0.814 345 A HN 0.257 nan 8.150 nan 0.000 0.446 346 L N -0.531 120.502 121.223 -0.315 0.000 2.005 346 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 346 L C 2.948 179.754 176.870 -0.106 0.000 1.072 346 L CA 2.003 56.733 54.840 -0.183 0.000 0.744 346 L CB -1.003 40.956 42.059 -0.167 0.000 0.895 346 L HN 0.378 nan 8.230 nan 0.000 0.433 347 A N -1.337 121.423 122.820 -0.099 0.000 1.940 347 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 347 A C 2.293 179.889 177.584 0.020 0.000 1.176 347 A CA 1.925 53.931 52.037 -0.051 0.000 0.631 347 A CB -1.067 17.902 19.000 -0.051 0.000 0.814 347 A HN 0.461 nan 8.150 nan 0.000 0.446 348 F N 1.319 121.196 119.950 -0.122 0.000 2.113 348 F HA -0.133 4.394 4.527 -0.000 0.000 0.297 348 F C 2.448 178.288 175.800 0.067 0.000 1.103 348 F CA 2.284 60.280 58.000 -0.007 0.000 1.248 348 F CB -0.676 38.219 39.000 -0.174 0.000 0.999 348 F HN 0.200 nan 8.300 nan 0.000 0.475 349 T N 1.577 116.147 114.554 0.028 0.000 2.746 349 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 349 T C 2.129 176.755 174.700 -0.124 0.000 1.039 349 T CA 1.766 63.872 62.100 0.010 0.000 1.142 349 T CB -0.590 68.333 68.868 0.091 0.000 0.866 349 T HN 0.251 nan 8.240 nan 0.000 0.444 350 L N 1.334 122.500 121.223 -0.095 0.000 2.265 350 L HA -0.053 4.287 4.340 -0.000 0.000 0.215 350 L C 2.546 179.347 176.870 -0.116 0.000 1.117 350 L CA 1.325 56.101 54.840 -0.107 0.000 0.782 350 L CB -0.717 41.287 42.059 -0.092 0.000 0.914 350 L HN 0.445 nan 8.230 nan 0.000 0.441 351 T N -5.885 108.610 114.554 -0.099 0.000 3.092 351 T HA 0.208 4.558 4.350 -0.000 0.000 0.258 351 T C 0.713 175.388 174.700 -0.043 0.000 1.031 351 T CA -0.316 61.753 62.100 -0.052 0.000 0.925 351 T CB 0.348 69.222 68.868 0.010 0.000 1.036 351 T HN -0.019 nan 8.240 nan 0.000 0.544 352 S N 2.250 117.832 115.700 -0.198 0.000 2.713 352 S HA 0.612 5.082 4.470 -0.000 0.000 0.283 352 S C 0.340 174.812 174.600 -0.213 0.000 1.161 352 S CA -1.061 56.974 58.200 -0.274 0.000 0.999 352 S CB 0.953 63.844 63.200 -0.515 0.000 1.039 352 S HN 0.608 nan 8.310 nan 0.000 0.548 353 R N 0.681 121.078 120.500 -0.170 0.000 2.694 353 R HA 0.579 4.919 4.340 -0.000 0.000 0.268 353 R C 0.581 176.753 176.300 -0.214 0.000 1.061 353 R CA 0.556 56.575 56.100 -0.135 0.000 1.133 353 R CB -1.189 29.079 30.300 -0.052 0.000 1.020 353 R HN 0.934 nan 8.270 nan 0.000 0.475 354 G N 0.035 108.737 108.800 -0.163 0.000 2.418 354 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.206 354 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.206 354 G C -1.516 173.265 174.900 -0.198 0.000 1.202 354 G CA -0.324 44.665 45.100 -0.185 0.000 1.061 354 G HN 0.709 nan 8.290 nan 0.000 0.563 355 V N 2.765 122.548 119.914 -0.219 0.000 2.357 355 V HA 0.513 4.633 4.120 -0.000 0.000 0.281 355 V C -2.098 173.880 176.094 -0.194 0.000 1.015 355 V CA -0.983 61.190 62.300 -0.212 0.000 0.827 355 V CB 1.754 33.431 31.823 -0.243 0.000 1.018 355 V HN 0.656 nan 8.190 nan 0.000 0.432 356 P HA 0.348 nan 4.420 nan 0.000 0.271 356 P C -0.606 176.689 177.300 -0.009 0.000 1.216 356 P CA 0.136 63.171 63.100 -0.109 0.000 0.771 356 P CB 1.361 32.997 31.700 -0.106 0.000 0.864 357 A N 4.570 127.434 122.820 0.073 0.000 2.343 357 A HA 0.672 4.992 4.320 -0.000 0.000 0.316 357 A C -0.394 177.302 177.584 0.187 0.000 1.104 357 A CA -0.829 51.317 52.037 0.181 0.000 0.768 357 A CB 0.728 19.905 19.000 0.295 0.000 1.213 357 A HN 0.453 nan 8.150 nan 0.000 0.456 358 I N 2.722 123.383 120.570 0.153 0.000 2.362 358 I HA 0.185 4.355 4.170 -0.000 0.000 0.289 358 I C -0.789 175.339 176.117 0.017 0.000 0.994 358 I CA -0.701 60.664 61.300 0.107 0.000 1.158 358 I CB 1.258 39.334 38.000 0.127 0.000 1.315 358 I HN 0.720 nan 8.210 nan 0.000 0.451 359 Y N 8.555 128.790 120.300 -0.109 0.000 2.442 359 Y HA 0.045 4.595 4.550 -0.000 0.000 0.330 359 Y C 0.101 175.794 175.900 -0.346 0.000 1.129 359 Y CA -0.997 56.988 58.100 -0.191 0.000 1.365 359 Y CB 0.124 38.525 38.460 -0.099 0.000 1.233 359 Y HN 0.441 nan 8.280 nan 0.000 0.529 360 Y N 3.666 123.520 120.300 -0.744 0.000 2.904 360 Y HA 0.303 4.853 4.550 -0.000 0.000 0.336 360 Y C 1.094 176.795 175.900 -0.331 0.000 1.263 360 Y CA -0.332 57.327 58.100 -0.735 0.000 1.547 360 Y CB -0.066 38.093 38.460 -0.500 0.000 1.272 360 Y HN 0.926 nan 8.280 nan 0.000 0.596 361 G N 2.267 111.038 108.800 -0.047 0.000 2.176 361 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.253 361 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.253 361 G C 0.771 175.592 174.900 -0.133 0.000 0.979 361 G CA 0.462 45.499 45.100 -0.106 0.000 0.641 361 G HN 0.854 nan 8.290 nan 0.000 0.530 362 T N 1.439 115.920 114.554 -0.123 0.000 2.746 362 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 362 T C 2.162 176.734 174.700 -0.213 0.000 1.039 362 T CA 1.782 63.817 62.100 -0.109 0.000 1.142 362 T CB -0.212 68.626 68.868 -0.051 0.000 0.866 362 T HN 0.749 nan 8.240 nan 0.000 0.444 363 E N 1.165 121.306 120.200 -0.098 0.000 2.472 363 E HA -0.133 4.217 4.350 -0.000 0.000 0.200 363 E C 1.194 177.685 176.600 -0.181 0.000 1.046 363 E CA 0.814 57.130 56.400 -0.141 0.000 0.871 363 E CB -0.141 29.608 29.700 0.083 0.000 0.806 363 E HN 0.395 nan 8.360 nan 0.000 0.533 364 Q N -0.287 119.450 119.800 -0.105 0.000 2.219 364 Q HA 0.086 4.426 4.340 -0.000 0.000 0.209 364 Q C -0.436 175.625 176.000 0.102 0.000 0.854 364 Q CA -0.395 55.432 55.803 0.041 0.000 0.960 364 Q CB -0.213 28.575 28.738 0.084 0.000 1.116 364 Q HN 0.361 nan 8.270 nan 0.000 0.500 365 Y N -1.337 118.956 120.300 -0.012 0.000 4.079 365 Y HA -0.291 4.259 4.550 -0.000 0.000 0.223 365 Y C 0.393 176.344 175.900 0.085 0.000 1.155 365 Y CA 0.161 58.222 58.100 -0.065 0.000 1.805 365 Y CB -2.599 35.708 38.460 -0.255 0.000 1.571 365 Y HN 0.201 nan 8.280 nan 0.000 0.654 366 M N 0.657 120.326 119.600 0.116 0.000 2.251 366 M HA 0.139 4.619 4.480 -0.000 0.000 0.343 366 M C 0.544 176.936 176.300 0.153 0.000 1.245 366 M CA 1.101 56.452 55.300 0.085 0.000 1.061 366 M CB 0.382 32.948 32.600 -0.057 0.000 1.723 366 M HN 0.264 nan 8.290 nan 0.000 0.449 367 S N 1.063 116.841 115.700 0.131 0.000 2.566 367 S HA 0.964 5.434 4.470 -0.000 0.000 0.298 367 S C -0.174 174.458 174.600 0.053 0.000 1.083 367 S CA -0.838 57.426 58.200 0.107 0.000 0.978 367 S CB 2.250 65.495 63.200 0.075 0.000 1.073 367 S HN 0.994 nan 8.310 nan 0.000 0.491 368 G N -0.254 108.572 108.800 0.043 0.000 2.405 368 G HA2 0.511 4.471 3.960 -0.000 0.000 0.303 368 G HA3 0.511 4.471 3.960 -0.000 0.000 0.303 368 G C -0.256 174.661 174.900 0.030 0.000 1.644 368 G CA -0.286 44.831 45.100 0.028 0.000 0.899 368 G HN 0.885 nan 8.290 nan 0.000 0.667 369 G N -0.319 108.491 108.800 0.017 0.000 2.514 369 G HA2 0.654 4.614 3.960 -0.000 0.000 0.245 369 G HA3 0.654 4.614 3.960 -0.000 0.000 0.245 369 G C 0.939 175.852 174.900 0.021 0.000 1.488 369 G CA 0.701 45.809 45.100 0.014 0.000 1.063 369 G HN 1.547 nan 8.290 nan 0.000 0.557 370 T N -1.621 112.941 114.554 0.013 0.000 2.726 370 T HA 0.254 4.604 4.350 -0.000 0.000 0.294 370 T C 0.220 174.926 174.700 0.011 0.000 1.013 370 T CA -0.090 62.017 62.100 0.011 0.000 0.996 370 T CB 0.746 69.612 68.868 -0.003 0.000 1.016 370 T HN 0.467 nan 8.240 nan 0.000 0.529 371 D N 2.067 122.474 120.400 0.012 0.000 2.772 371 D HA -0.008 4.632 4.640 -0.000 0.000 0.227 371 D C -1.257 175.059 176.300 0.025 0.000 1.114 371 D CA -1.212 52.806 54.000 0.030 0.000 0.832 371 D CB 0.536 41.351 40.800 0.024 0.000 1.154 371 D HN 0.409 nan 8.370 nan 0.000 0.514 372 P HA 0.174 nan 4.420 nan 0.000 0.269 372 P C -0.058 177.249 177.300 0.011 0.000 1.478 372 P CA -0.177 62.953 63.100 0.050 0.000 1.045 372 P CB 0.505 32.233 31.700 0.047 0.000 1.512 373 D N 1.204 121.610 120.400 0.010 0.000 2.312 373 D HA -0.085 4.555 4.640 -0.000 0.000 0.211 373 D C 0.948 177.257 176.300 0.015 0.000 0.964 373 D CA 0.854 54.857 54.000 0.005 0.000 0.877 373 D CB -0.112 40.691 40.800 0.004 0.000 0.924 373 D HN 0.374 nan 8.370 nan 0.000 0.515 374 N N 0.316 119.036 118.700 0.033 0.000 2.398 374 N HA -0.031 4.708 4.740 -0.000 0.000 0.188 374 N C 0.503 176.057 175.510 0.073 0.000 1.122 374 N CA 0.075 53.170 53.050 0.075 0.000 0.866 374 N CB -0.047 38.505 38.487 0.108 0.000 0.970 374 N HN -0.024 nan 8.380 nan 0.000 0.462 375 R N 0.197 120.703 120.500 0.009 0.000 2.865 375 R HA 0.472 4.812 4.340 -0.000 0.000 0.370 375 R C -0.257 176.067 176.300 0.041 0.000 1.168 375 R CA -0.276 55.815 56.100 -0.016 0.000 1.058 375 R CB 0.665 30.860 30.300 -0.175 0.000 1.419 375 R HN 0.177 nan 8.270 nan 0.000 0.580 376 A N 1.002 123.844 122.820 0.036 0.000 2.332 376 A HA 0.286 4.606 4.320 -0.000 0.000 0.258 376 A C 0.057 177.712 177.584 0.118 0.000 1.087 376 A CA -0.467 51.587 52.037 0.029 0.000 0.802 376 A CB 0.316 19.312 19.000 -0.006 0.000 1.042 376 A HN 0.478 nan 8.150 nan 0.000 0.489 377 R N 1.173 121.708 120.500 0.058 0.000 2.590 377 R HA 0.203 4.543 4.340 -0.000 0.000 0.274 377 R C -0.109 176.233 176.300 0.069 0.000 1.061 377 R CA -0.237 55.907 56.100 0.074 0.000 1.081 377 R CB 0.152 30.447 30.300 -0.010 0.000 0.984 377 R HN 0.699 nan 8.270 nan 0.000 0.448 378 I N 7.318 127.958 120.570 0.117 0.000 2.662 378 I HA 0.015 4.185 4.170 -0.000 0.000 0.285 378 I C -1.355 174.625 176.117 -0.228 0.000 1.161 378 I CA -1.486 59.807 61.300 -0.011 0.000 1.415 378 I CB 1.163 39.190 38.000 0.044 0.000 1.385 378 I HN 0.733 nan 8.210 nan 0.000 0.552 379 P HA 0.035 nan 4.420 nan 0.000 0.240 379 P C -0.031 177.120 177.300 -0.248 0.000 1.190 379 P CA 0.367 63.360 63.100 -0.178 0.000 0.781 379 P CB 0.343 31.992 31.700 -0.085 0.000 0.931 380 S N -1.153 114.333 115.700 -0.357 0.000 2.547 380 S HA 0.562 5.032 4.470 -0.000 0.000 0.270 380 S C -1.480 172.824 174.600 -0.492 0.000 1.150 380 S CA -0.556 57.449 58.200 -0.326 0.000 0.850 380 S CB 0.361 63.499 63.200 -0.102 0.000 1.118 380 S HN -0.206 nan 8.310 nan 0.000 0.461 381 F N 2.206 122.055 119.950 -0.168 0.000 2.881 381 F HA 0.430 4.958 4.527 0.000 0.000 0.343 381 F C 0.947 176.744 175.800 -0.006 0.000 1.233 381 F CA -0.462 57.335 58.000 -0.337 0.000 1.262 381 F CB 0.746 39.444 39.000 -0.502 0.000 0.980 381 F HN 0.482 nan 8.300 nan 0.000 0.506 382 S N 0.187 115.990 115.700 0.172 0.000 2.545 382 S HA 0.219 4.689 4.470 -0.000 0.000 0.275 382 S C 1.339 175.879 174.600 -0.101 0.000 1.299 382 S CA 0.144 58.380 58.200 0.060 0.000 1.048 382 S CB 0.675 63.893 63.200 0.029 0.000 0.938 382 S HN 0.467 nan 8.310 nan 0.000 0.496 383 T N 1.444 115.778 114.554 -0.366 0.000 3.086 383 T HA 0.148 4.498 4.350 -0.000 0.000 0.250 383 T C 1.237 175.592 174.700 -0.576 0.000 1.074 383 T CA 0.174 61.600 62.100 -1.124 0.000 0.988 383 T CB -0.064 68.319 68.868 -0.808 0.000 0.988 383 T HN 0.415 nan 8.240 nan 0.000 0.530 384 S N 2.153 117.719 115.700 -0.223 0.000 2.603 384 S HA 0.102 4.572 4.470 -0.000 0.000 0.220 384 S C 1.229 175.842 174.600 0.021 0.000 0.967 384 S CA 0.302 58.459 58.200 -0.071 0.000 0.920 384 S CB -0.308 62.870 63.200 -0.037 0.000 0.773 384 S HN 0.901 nan 8.310 nan 0.000 0.529 385 T N -0.247 114.352 114.554 0.074 0.000 2.860 385 T HA 0.135 4.485 4.350 -0.000 0.000 0.299 385 T C 1.311 176.133 174.700 0.203 0.000 1.045 385 T CA -0.125 62.092 62.100 0.195 0.000 1.071 385 T CB 0.795 69.851 68.868 0.314 0.000 0.985 385 T HN -0.004 nan 8.240 nan 0.000 0.537 386 T N 1.872 116.563 114.554 0.228 0.000 2.821 386 T HA 0.008 4.358 4.350 -0.000 0.000 0.267 386 T C 2.384 177.185 174.700 0.167 0.000 1.046 386 T CA 1.242 63.446 62.100 0.174 0.000 1.139 386 T CB -0.746 68.218 68.868 0.161 0.000 0.871 386 T HN 0.815 nan 8.240 nan 0.000 0.454 387 A N 0.621 123.561 122.820 0.200 0.000 1.877 387 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 387 A C 2.082 179.684 177.584 0.030 0.000 1.186 387 A CA 1.559 53.599 52.037 0.005 0.000 0.620 387 A CB -1.109 17.672 19.000 -0.365 0.000 0.822 387 A HN 0.564 nan 8.150 nan 0.000 0.443 388 Y N 0.676 120.954 120.300 -0.037 0.000 2.207 388 Y HA -0.257 4.292 4.550 -0.000 0.000 0.287 388 Y C 2.525 178.399 175.900 -0.042 0.000 1.156 388 Y CA 2.324 60.399 58.100 -0.040 0.000 1.182 388 Y CB -0.324 38.132 38.460 -0.006 0.000 0.979 388 Y HN 0.461 nan 8.280 nan 0.000 0.521 389 Q N -1.189 118.755 119.800 0.240 0.000 2.167 389 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 389 Q C 2.328 178.345 176.000 0.028 0.000 0.970 389 Q CA 1.564 57.452 55.803 0.140 0.000 0.855 389 Q CB -0.186 28.620 28.738 0.113 0.000 0.911 389 Q HN 0.372 nan 8.270 nan 0.000 0.438 390 V N 1.138 121.055 119.914 0.006 0.000 2.295 390 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 390 V C 2.119 178.166 176.094 -0.078 0.000 1.049 390 V CA 1.680 63.958 62.300 -0.036 0.000 1.024 390 V CB -0.423 31.378 31.823 -0.037 0.000 0.648 390 V HN 0.344 nan 8.190 nan 0.000 0.447 391 I N -0.274 120.227 120.570 -0.115 0.000 2.226 391 I HA -0.318 3.851 4.170 -0.000 0.000 0.245 391 I C 2.643 178.653 176.117 -0.179 0.000 1.100 391 I CA 1.917 63.118 61.300 -0.165 0.000 1.374 391 I CB -0.470 37.390 38.000 -0.234 0.000 1.057 391 I HN 0.391 nan 8.210 nan 0.000 0.413 392 Q N 1.204 120.890 119.800 -0.190 0.000 2.096 392 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 392 Q C 2.087 178.034 176.000 -0.089 0.000 0.982 392 Q CA 1.461 57.178 55.803 -0.144 0.000 0.850 392 Q CB 0.166 28.868 28.738 -0.060 0.000 0.901 392 Q HN 0.360 nan 8.270 nan 0.000 0.422 393 K N 0.008 120.367 120.400 -0.069 0.000 2.116 393 K HA -0.012 4.308 4.320 -0.000 0.000 0.203 393 K C 2.076 178.630 176.600 -0.077 0.000 1.052 393 K CA 0.739 56.990 56.287 -0.060 0.000 0.952 393 K CB 0.075 32.547 32.500 -0.048 0.000 0.729 393 K HN 0.319 nan 8.250 nan 0.000 0.446 394 L N 0.050 121.219 121.223 -0.089 0.000 2.298 394 L HA 0.113 4.453 4.340 -0.000 0.000 0.209 394 L C 2.511 179.318 176.870 -0.105 0.000 1.084 394 L CA 0.470 55.252 54.840 -0.095 0.000 0.816 394 L CB -0.522 41.480 42.059 -0.094 0.000 0.967 394 L HN -0.020 nan 8.230 nan 0.000 0.460 395 A N 1.280 124.032 122.820 -0.114 0.000 1.892 395 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 395 A C -0.114 177.397 177.584 -0.122 0.000 1.188 395 A CA 1.851 53.816 52.037 -0.121 0.000 0.631 395 A CB -1.819 17.102 19.000 -0.132 0.000 0.822 395 A HN 0.253 nan 8.150 nan 0.000 0.447 396 P HA -0.089 nan 4.420 nan 0.000 0.222 396 P C 1.185 178.417 177.300 -0.112 0.000 1.147 396 P CA 0.701 63.735 63.100 -0.109 0.000 0.790 396 P CB -0.182 31.463 31.700 -0.092 0.000 0.780 397 L N -1.065 120.093 121.223 -0.108 0.000 2.265 397 L HA -0.112 4.228 4.340 -0.000 0.000 0.215 397 L C 2.364 179.149 176.870 -0.141 0.000 1.117 397 L CA 1.169 55.944 54.840 -0.109 0.000 0.782 397 L CB -0.743 41.259 42.059 -0.094 0.000 0.914 397 L HN -0.013 nan 8.230 nan 0.000 0.441 398 R N 0.101 120.502 120.500 -0.164 0.000 2.189 398 R HA -0.079 4.261 4.340 -0.000 0.000 0.223 398 R C 2.046 178.194 176.300 -0.254 0.000 1.092 398 R CA 0.682 56.648 56.100 -0.223 0.000 0.989 398 R CB -0.092 30.073 30.300 -0.226 0.000 0.876 398 R HN 0.351 nan 8.270 nan 0.000 0.457 399 K N 0.281 120.562 120.400 -0.198 0.000 2.128 399 K HA -0.017 4.303 4.320 -0.000 0.000 0.202 399 K C 2.290 178.800 176.600 -0.151 0.000 1.050 399 K CA 1.226 57.402 56.287 -0.184 0.000 0.966 399 K CB -0.049 32.361 32.500 -0.149 0.000 0.759 399 K HN 0.319 nan 8.250 nan 0.000 0.454 400 C N 0.418 119.643 119.300 -0.125 0.000 2.533 400 C HA 0.228 4.688 4.460 -0.000 0.000 0.272 400 C C 0.861 175.799 174.990 -0.088 0.000 1.371 400 C CA -0.514 58.446 59.018 -0.097 0.000 1.758 400 C CB -0.762 26.929 27.740 -0.081 0.000 1.972 400 C HN 0.153 nan 8.230 nan 0.000 0.522 401 N N 2.045 120.683 118.700 -0.103 0.000 2.626 401 N HA 0.329 5.069 4.740 -0.000 0.000 0.242 401 N C -1.838 173.603 175.510 -0.115 0.000 1.005 401 N CA -1.985 51.020 53.050 -0.076 0.000 0.905 401 N CB 1.428 39.882 38.487 -0.056 0.000 1.128 401 N HN 0.212 nan 8.380 nan 0.000 0.512 402 P HA -0.061 nan 4.420 nan 0.000 0.228 402 P C 0.878 178.092 177.300 -0.143 0.000 1.151 402 P CA 0.516 63.497 63.100 -0.199 0.000 0.770 402 P CB 0.335 32.036 31.700 0.001 0.000 0.786 403 A N 0.115 122.960 122.820 0.041 0.000 1.930 403 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 403 A C 2.229 179.815 177.584 0.005 0.000 1.175 403 A CA 1.141 53.249 52.037 0.119 0.000 0.627 403 A CB -1.374 17.705 19.000 0.132 0.000 0.815 403 A HN 0.157 nan 8.150 nan 0.000 0.443 404 I N -0.629 119.894 120.570 -0.078 0.000 2.500 404 I HA -0.161 4.009 4.170 -0.000 0.000 0.252 404 I C 2.821 178.810 176.117 -0.214 0.000 1.142 404 I CA 0.879 62.112 61.300 -0.112 0.000 1.451 404 I CB -0.108 37.822 38.000 -0.115 0.000 1.093 404 I HN 0.335 nan 8.210 nan 0.000 0.430 405 A N -0.045 122.542 122.820 -0.389 0.000 1.898 405 A HA -0.114 4.206 4.320 -0.000 0.000 0.214 405 A C 1.559 178.792 177.584 -0.586 0.000 1.183 405 A CA 1.500 53.151 52.037 -0.643 0.000 0.622 405 A CB -0.376 17.963 19.000 -1.102 0.000 0.824 405 A HN 0.467 nan 8.150 nan 0.000 0.444 406 Y N -0.947 119.178 120.300 -0.292 0.000 2.563 406 Y HA 0.362 4.912 4.550 -0.000 0.000 0.250 406 Y C 1.508 177.366 175.900 -0.070 0.000 1.126 406 Y CA -0.963 56.967 58.100 -0.284 0.000 1.231 406 Y CB -0.641 37.346 38.460 -0.788 0.000 1.288 406 Y HN 0.228 nan 8.280 nan 0.000 0.537 407 G N 1.044 109.922 108.800 0.130 0.000 2.636 407 G HA2 0.323 4.283 3.960 -0.000 0.000 0.246 407 G HA3 0.323 4.283 3.960 -0.000 0.000 0.246 407 G C 0.407 175.424 174.900 0.194 0.000 1.216 407 G CA -0.018 45.231 45.100 0.249 0.000 0.854 407 G HN 0.256 nan 8.290 nan 0.000 0.572 408 S N -0.844 114.974 115.700 0.195 0.000 2.617 408 S HA 0.559 5.029 4.470 -0.000 0.000 0.259 408 S C 0.044 174.725 174.600 0.134 0.000 1.301 408 S CA -0.354 57.933 58.200 0.145 0.000 0.984 408 S CB 1.308 64.586 63.200 0.129 0.000 0.954 408 S HN 0.589 nan 8.310 nan 0.000 0.572 409 T N 1.321 115.947 114.554 0.119 0.000 2.841 409 T HA 0.525 4.875 4.350 -0.000 0.000 0.285 409 T C -1.017 173.768 174.700 0.142 0.000 0.991 409 T CA -0.517 61.665 62.100 0.137 0.000 0.966 409 T CB 1.349 70.272 68.868 0.092 0.000 0.962 409 T HN 0.675 nan 8.240 nan 0.000 0.438 410 Q N 2.232 122.141 119.800 0.182 0.000 2.285 410 Q HA 0.280 4.620 4.340 -0.000 0.000 0.269 410 Q C -0.999 175.125 176.000 0.206 0.000 1.030 410 Q CA -0.704 55.196 55.803 0.162 0.000 0.788 410 Q CB 1.680 30.495 28.738 0.129 0.000 1.266 410 Q HN 0.598 nan 8.270 nan 0.000 0.438 411 E N 3.794 124.102 120.200 0.180 0.000 2.324 411 E HA 0.042 4.392 4.350 -0.000 0.000 0.271 411 E C -0.221 176.486 176.600 0.179 0.000 1.028 411 E CA 0.304 56.824 56.400 0.199 0.000 0.890 411 E CB 0.632 30.420 29.700 0.146 0.000 1.004 411 E HN 0.693 nan 8.360 nan 0.000 0.431 412 R N 3.371 124.005 120.500 0.222 0.000 2.316 412 R HA 0.127 4.466 4.340 -0.000 0.000 0.201 412 R C 0.001 176.484 176.300 0.304 0.000 0.888 412 R CA 0.009 56.242 56.100 0.221 0.000 1.041 412 R CB 0.816 31.243 30.300 0.210 0.000 1.115 412 R HN 0.517 nan 8.270 nan 0.000 0.559 413 W N 0.551 121.907 121.300 0.093 0.000 3.573 413 W HA 0.580 5.240 4.660 -0.000 0.000 0.306 413 W C -1.745 174.797 176.519 0.039 0.000 1.227 413 W CA -0.571 56.813 57.345 0.066 0.000 1.212 413 W CB 1.410 30.914 29.460 0.072 0.000 1.331 413 W HN -0.182 nan 8.180 nan 0.000 0.524 414 I N 5.969 126.519 120.570 -0.034 0.000 2.842 414 I HA 0.418 4.588 4.170 -0.000 0.000 0.297 414 I C -1.564 174.399 176.117 -0.257 0.000 1.380 414 I CA -0.509 60.760 61.300 -0.052 0.000 1.018 414 I CB 1.657 39.566 38.000 -0.152 0.000 1.311 414 I HN 0.651 nan 8.210 nan 0.000 0.439 415 N N 3.638 122.228 118.700 -0.182 0.000 3.316 415 N HA 0.332 5.072 4.740 -0.000 0.000 0.300 415 N C -0.423 174.936 175.510 -0.252 0.000 1.567 415 N CA -0.702 52.272 53.050 -0.126 0.000 0.821 415 N CB 0.339 38.858 38.487 0.054 0.000 1.748 415 N HN 0.599 nan 8.380 nan 0.000 0.603 416 N N -1.006 117.703 118.700 0.015 0.000 2.137 416 N HA -0.129 4.611 4.740 -0.000 0.000 0.190 416 N C -0.277 175.183 175.510 -0.083 0.000 1.017 416 N CA 1.495 54.558 53.050 0.022 0.000 0.859 416 N CB -0.072 38.468 38.487 0.088 0.000 1.002 416 N HN 0.506 nan 8.380 nan 0.000 0.428 417 D N -0.382 119.993 120.400 -0.040 0.000 2.423 417 D HA 0.114 4.754 4.640 -0.000 0.000 0.208 417 D C -0.176 176.112 176.300 -0.021 0.000 1.068 417 D CA 0.251 54.225 54.000 -0.044 0.000 0.860 417 D CB 1.027 41.827 40.800 0.001 0.000 0.992 417 D HN -0.052 nan 8.370 nan 0.000 0.504 418 V N 1.815 121.749 119.914 0.033 0.000 2.513 418 V HA 0.441 4.561 4.120 -0.000 0.000 0.299 418 V C -0.695 175.474 176.094 0.125 0.000 1.035 418 V CA -0.861 61.505 62.300 0.110 0.000 0.889 418 V CB 2.564 34.516 31.823 0.215 0.000 0.988 418 V HN -0.067 nan 8.190 nan 0.000 0.440 419 L N 6.145 127.465 121.223 0.163 0.000 2.438 419 L HA 0.670 5.010 4.340 -0.000 0.000 0.270 419 L C -1.016 176.043 176.870 0.314 0.000 0.972 419 L CA 0.027 55.001 54.840 0.223 0.000 0.831 419 L CB 1.625 43.799 42.059 0.192 0.000 1.273 419 L HN 0.567 nan 8.230 nan 0.000 0.405 420 I N 6.231 127.004 120.570 0.338 0.000 2.382 420 I HA 0.398 4.568 4.170 -0.000 0.000 0.286 420 I C -1.088 175.211 176.117 0.304 0.000 1.002 420 I CA -0.756 60.707 61.300 0.272 0.000 1.135 420 I CB 1.223 39.401 38.000 0.297 0.000 1.288 420 I HN 0.633 nan 8.210 nan 0.000 0.448 421 Y N 3.299 123.719 120.300 0.201 0.000 2.598 421 Y HA 0.777 5.327 4.550 -0.000 0.000 0.340 421 Y C -0.707 175.279 175.900 0.143 0.000 1.038 421 Y CA -1.398 56.804 58.100 0.170 0.000 1.100 421 Y CB 1.183 39.748 38.460 0.175 0.000 1.281 421 Y HN 0.511 nan 8.280 nan 0.000 0.488 422 E N 1.947 122.300 120.200 0.255 0.000 2.234 422 E HA 0.483 4.833 4.350 -0.000 0.000 0.266 422 E C -1.284 175.433 176.600 0.196 0.000 0.877 422 E CA -1.122 55.371 56.400 0.154 0.000 0.758 422 E CB 1.166 30.939 29.700 0.121 0.000 1.170 422 E HN 0.651 nan 8.360 nan 0.000 0.415 423 R N 3.166 123.759 120.500 0.154 0.000 2.460 423 R HA 0.485 4.824 4.340 -0.000 0.000 0.303 423 R C -0.794 175.587 176.300 0.136 0.000 0.968 423 R CA -0.842 55.348 56.100 0.150 0.000 0.889 423 R CB 1.423 31.799 30.300 0.126 0.000 1.123 423 R HN 0.516 nan 8.270 nan 0.000 0.455 424 K N 1.737 122.234 120.400 0.161 0.000 2.535 424 K HA 0.494 4.814 4.320 -0.000 0.000 0.251 424 K C -1.976 174.781 176.600 0.262 0.000 0.942 424 K CA -0.585 55.805 56.287 0.172 0.000 0.798 424 K CB 1.383 33.955 32.500 0.120 0.000 1.267 424 K HN 0.442 nan 8.250 nan 0.000 0.434 425 F N 4.345 124.344 119.950 0.082 0.000 2.787 425 F HA 0.501 5.028 4.527 -0.000 0.000 0.340 425 F C 0.366 176.208 175.800 0.070 0.000 1.232 425 F CA 0.668 58.722 58.000 0.090 0.000 1.051 425 F CB 1.351 40.430 39.000 0.131 0.000 1.330 425 F HN 0.827 nan 8.300 nan 0.000 0.522 426 G N 3.376 111.940 108.800 -0.392 0.000 2.596 426 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.295 426 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.295 426 G C 0.327 175.201 174.900 -0.044 0.000 1.240 426 G CA 0.131 45.067 45.100 -0.274 0.000 0.985 426 G HN 0.971 nan 8.290 nan 0.000 0.555 427 S N 2.560 118.268 115.700 0.014 0.000 2.815 427 S HA 0.314 4.784 4.470 -0.000 0.000 0.254 427 S C 0.251 174.952 174.600 0.168 0.000 1.197 427 S CA -0.099 58.159 58.200 0.097 0.000 1.216 427 S CB -0.571 62.690 63.200 0.101 0.000 0.871 427 S HN 0.520 nan 8.310 nan 0.000 0.473 428 N N 0.781 119.579 118.700 0.164 0.000 2.225 428 N HA 0.557 5.297 4.740 -0.000 0.000 0.298 428 N C -1.294 174.326 175.510 0.183 0.000 1.076 428 N CA -0.374 52.786 53.050 0.183 0.000 0.792 428 N CB 2.446 41.035 38.487 0.170 0.000 1.498 428 N HN -0.044 nan 8.380 nan 0.000 0.474 429 V N 0.185 120.208 119.914 0.182 0.000 2.971 429 V HA 0.858 4.978 4.120 -0.000 0.000 0.309 429 V C -0.935 175.220 176.094 0.102 0.000 1.130 429 V CA -0.815 61.566 62.300 0.137 0.000 0.964 429 V CB 1.973 33.867 31.823 0.119 0.000 1.029 429 V HN 0.867 nan 8.190 nan 0.000 0.427 430 A N 2.676 125.536 122.820 0.067 0.000 2.459 430 A HA 0.893 5.213 4.320 -0.000 0.000 0.296 430 A C -1.480 176.106 177.584 0.004 0.000 1.039 430 A CA -0.524 51.531 52.037 0.030 0.000 0.698 430 A CB 1.977 20.981 19.000 0.006 0.000 1.261 430 A HN 0.784 nan 8.150 nan 0.000 0.405 431 V N 2.274 122.189 119.914 0.001 0.000 2.540 431 V HA 0.614 4.734 4.120 -0.000 0.000 0.302 431 V C -0.497 175.504 176.094 -0.155 0.000 1.035 431 V CA -0.577 61.723 62.300 -0.001 0.000 0.873 431 V CB 1.638 33.560 31.823 0.165 0.000 0.992 431 V HN 0.713 nan 8.190 nan 0.000 0.428 432 V N 3.390 123.046 119.914 -0.429 0.000 2.487 432 V HA 0.839 4.959 4.120 -0.000 0.000 0.298 432 V C 0.174 176.021 176.094 -0.411 0.000 1.028 432 V CA -0.585 61.365 62.300 -0.583 0.000 0.860 432 V CB 1.758 33.079 31.823 -0.837 0.000 0.991 432 V HN 0.997 nan 8.190 nan 0.000 0.427 433 A N 4.630 127.276 122.820 -0.290 0.000 2.303 433 A HA 0.895 5.215 4.320 -0.000 0.000 0.320 433 A C -0.849 176.741 177.584 0.010 0.000 1.192 433 A CA -0.534 51.488 52.037 -0.024 0.000 0.821 433 A CB 1.411 20.504 19.000 0.155 0.000 1.188 433 A HN 0.744 nan 8.150 nan 0.000 0.492 434 V N 2.754 122.745 119.914 0.128 0.000 2.531 434 V HA 0.413 4.533 4.120 -0.000 0.000 0.301 434 V C -0.574 175.609 176.094 0.149 0.000 1.034 434 V CA -0.815 61.584 62.300 0.166 0.000 0.865 434 V CB 1.912 33.917 31.823 0.302 0.000 0.995 434 V HN 0.879 nan 8.190 nan 0.000 0.424 435 N N 3.222 121.995 118.700 0.122 0.000 2.626 435 N HA 0.277 5.017 4.740 -0.000 0.000 0.242 435 N C 1.083 176.655 175.510 0.104 0.000 1.005 435 N CA -0.827 52.276 53.050 0.088 0.000 0.905 435 N CB 1.189 39.711 38.487 0.059 0.000 1.128 435 N HN 0.659 nan 8.380 nan 0.000 0.512 436 R N 1.749 122.301 120.500 0.086 0.000 2.193 436 R HA 0.005 4.345 4.340 -0.000 0.000 0.229 436 R C 0.460 176.796 176.300 0.060 0.000 1.110 436 R CA 0.651 56.802 56.100 0.086 0.000 0.988 436 R CB -0.404 29.842 30.300 -0.091 0.000 0.871 436 R HN 0.253 nan 8.270 nan 0.000 0.458 437 N N 1.359 120.081 118.700 0.038 0.000 2.427 437 N HA -0.037 4.703 4.740 -0.000 0.000 0.269 437 N C -0.010 175.529 175.510 0.047 0.000 1.235 437 N CA -0.021 53.050 53.050 0.034 0.000 0.934 437 N CB 0.772 39.275 38.487 0.026 0.000 1.121 437 N HN 0.121 nan 8.380 nan 0.000 0.480 438 L N 3.682 124.935 121.223 0.050 0.000 2.552 438 L HA 0.083 4.423 4.340 -0.000 0.000 0.227 438 L C 0.906 177.801 176.870 0.040 0.000 1.146 438 L CA 0.982 55.854 54.840 0.053 0.000 0.858 438 L CB -0.535 41.561 42.059 0.061 0.000 0.969 438 L HN 0.577 nan 8.230 nan 0.000 0.451 439 N N -1.355 117.364 118.700 0.033 0.000 2.239 439 N HA 0.307 5.047 4.740 -0.000 0.000 0.208 439 N C 0.229 175.754 175.510 0.025 0.000 1.200 439 N CA 0.282 53.348 53.050 0.027 0.000 0.895 439 N CB 0.844 39.345 38.487 0.023 0.000 1.085 439 N HN 0.122 nan 8.380 nan 0.000 0.500 440 A N 1.379 124.214 122.820 0.026 0.000 2.330 440 A HA 0.651 4.971 4.320 -0.000 0.000 0.313 440 A C -2.682 174.915 177.584 0.022 0.000 1.124 440 A CA -1.484 50.567 52.037 0.023 0.000 0.774 440 A CB 1.148 20.162 19.000 0.023 0.000 1.198 440 A HN -0.139 nan 8.150 nan 0.000 0.465 441 P HA 0.552 nan 4.420 nan 0.000 0.276 441 P C -0.454 176.841 177.300 -0.009 0.000 1.261 441 P CA -0.235 62.868 63.100 0.005 0.000 0.800 441 P CB 1.095 32.798 31.700 0.004 0.000 1.066 442 A N 0.214 123.006 122.820 -0.047 0.000 2.401 442 A HA 0.592 4.912 4.320 -0.000 0.000 0.310 442 A C -0.514 176.961 177.584 -0.183 0.000 1.075 442 A CA -0.523 51.465 52.037 -0.082 0.000 0.746 442 A CB 1.125 20.070 19.000 -0.090 0.000 1.277 442 A HN 0.372 nan 8.150 nan 0.000 0.425 443 S N 1.651 117.257 115.700 -0.157 0.000 2.410 443 S HA 0.542 5.012 4.470 -0.000 0.000 0.304 443 S C -0.691 173.684 174.600 -0.375 0.000 1.095 443 S CA -0.379 57.694 58.200 -0.211 0.000 1.089 443 S CB -0.625 62.531 63.200 -0.074 0.000 0.968 443 S HN 0.427 nan 8.310 nan 0.000 0.480 444 I N 5.431 125.566 120.570 -0.724 0.000 2.291 444 I HA 0.308 4.478 4.170 -0.000 0.000 0.290 444 I C 0.163 175.954 176.117 -0.543 0.000 1.050 444 I CA 0.171 60.849 61.300 -1.036 0.000 1.245 444 I CB 1.196 38.140 38.000 -1.761 0.000 1.405 444 I HN 0.677 nan 8.210 nan 0.000 0.478 445 S N 3.282 118.921 115.700 -0.102 0.000 2.548 445 S HA 0.823 5.293 4.470 -0.000 0.000 0.286 445 S C 0.460 175.240 174.600 0.300 0.000 1.098 445 S CA -0.141 58.110 58.200 0.085 0.000 0.930 445 S CB 1.980 65.226 63.200 0.076 0.000 1.070 445 S HN 1.127 nan 8.310 nan 0.000 0.480 446 G N 0.197 109.123 108.800 0.209 0.000 2.157 446 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.248 446 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.248 446 G C -0.232 174.836 174.900 0.281 0.000 0.979 446 G CA 0.086 45.316 45.100 0.217 0.000 0.650 446 G HN 1.272 nan 8.290 nan 0.000 0.529 447 L N 1.418 122.819 121.223 0.296 0.000 2.360 447 L HA 0.671 5.011 4.340 -0.000 0.000 0.276 447 L C 0.166 177.134 176.870 0.163 0.000 1.121 447 L CA -0.392 54.628 54.840 0.300 0.000 0.845 447 L CB 1.410 43.598 42.059 0.214 0.000 1.143 447 L HN 0.085 nan 8.230 nan 0.000 0.452 448 V N 4.966 124.969 119.914 0.147 0.000 2.495 448 V HA 0.712 4.832 4.120 -0.000 0.000 0.298 448 V C 0.262 176.396 176.094 0.066 0.000 1.031 448 V CA 0.054 62.403 62.300 0.081 0.000 0.871 448 V CB 1.881 33.747 31.823 0.073 0.000 0.988 448 V HN 1.013 nan 8.190 nan 0.000 0.432 449 T N 0.640 115.206 114.554 0.020 0.000 2.742 449 T HA 0.415 4.765 4.350 -0.000 0.000 0.282 449 T C 0.353 175.045 174.700 -0.014 0.000 1.025 449 T CA -0.444 61.658 62.100 0.003 0.000 1.020 449 T CB 1.964 70.801 68.868 -0.051 0.000 1.317 449 T HN 0.314 nan 8.240 nan 0.000 0.538 450 S N -0.055 115.633 115.700 -0.019 0.000 2.568 450 S HA 0.353 4.823 4.470 -0.000 0.000 0.232 450 S C 0.418 174.977 174.600 -0.068 0.000 0.975 450 S CA -0.534 57.652 58.200 -0.025 0.000 0.949 450 S CB -0.538 62.666 63.200 0.006 0.000 0.829 450 S HN 0.464 nan 8.310 nan 0.000 0.479 451 L N 2.889 124.044 121.223 -0.113 0.000 2.397 451 L HA 0.293 4.633 4.340 -0.000 0.000 0.271 451 L C -2.309 174.472 176.870 -0.148 0.000 1.148 451 L CA -1.960 52.767 54.840 -0.187 0.000 0.825 451 L CB 0.486 42.307 42.059 -0.396 0.000 1.117 451 L HN -0.032 nan 8.230 nan 0.000 0.456 452 P HA 0.039 nan 4.420 nan 0.000 0.272 452 P C -0.895 176.401 177.300 -0.006 0.000 1.240 452 P CA -0.497 62.482 63.100 -0.200 0.000 0.791 452 P CB 0.436 31.834 31.700 -0.504 0.000 0.978 453 Q N 0.352 120.134 119.800 -0.030 0.000 2.315 453 Q HA 0.390 4.730 4.340 -0.000 0.000 0.289 453 Q C 0.343 176.335 176.000 -0.013 0.000 1.044 453 Q CA 1.278 57.080 55.803 -0.002 0.000 0.920 453 Q CB -0.224 28.498 28.738 -0.027 0.000 1.214 453 Q HN 0.729 nan 8.270 nan 0.000 0.392 454 G N 1.067 109.856 108.800 -0.018 0.000 2.369 454 G HA2 0.039 3.999 3.960 -0.000 0.000 0.307 454 G HA3 0.039 3.999 3.960 -0.000 0.000 0.307 454 G C -1.582 173.214 174.900 -0.173 0.000 1.327 454 G CA -0.394 44.620 45.100 -0.144 0.000 0.963 454 G HN 0.537 nan 8.290 nan 0.000 0.590 455 S N -0.874 114.664 115.700 -0.270 0.000 2.462 455 S HA 0.779 5.249 4.470 -0.000 0.000 0.294 455 S C -1.255 173.140 174.600 -0.342 0.000 1.144 455 S CA -0.496 57.586 58.200 -0.198 0.000 1.088 455 S CB 0.611 63.733 63.200 -0.130 0.000 1.009 455 S HN 0.572 nan 8.310 nan 0.000 0.484 456 Y N 3.589 123.821 120.300 -0.113 0.000 2.326 456 Y HA 0.419 4.969 4.550 -0.000 0.000 0.331 456 Y C 0.382 176.329 175.900 0.078 0.000 0.962 456 Y CA -1.023 57.061 58.100 -0.026 0.000 1.167 456 Y CB 1.222 39.629 38.460 -0.089 0.000 1.148 456 Y HN 0.589 nan 8.280 nan 0.000 0.463 457 N N 1.941 120.786 118.700 0.242 0.000 2.525 457 N HA 0.017 4.757 4.740 -0.000 0.000 0.271 457 N C -0.707 174.995 175.510 0.321 0.000 1.194 457 N CA -0.351 52.834 53.050 0.226 0.000 0.964 457 N CB 0.703 39.255 38.487 0.109 0.000 1.126 457 N HN 0.644 nan 8.380 nan 0.000 0.452 458 D N 0.944 121.485 120.400 0.234 0.000 2.401 458 D HA -0.015 4.625 4.640 -0.000 0.000 0.254 458 D C 1.024 177.308 176.300 -0.027 0.000 1.192 458 D CA -0.134 53.874 54.000 0.014 0.000 0.885 458 D CB 0.712 41.501 40.800 -0.019 0.000 1.147 458 D HN 0.156 nan 8.370 nan 0.000 0.478 459 V N 4.446 124.306 119.914 -0.089 0.000 2.469 459 V HA -0.223 3.897 4.120 -0.000 0.000 0.251 459 V C 2.240 178.295 176.094 -0.065 0.000 1.064 459 V CA 1.317 63.582 62.300 -0.059 0.000 1.066 459 V CB -0.526 31.251 31.823 -0.076 0.000 0.667 459 V HN 0.650 nan 8.190 nan 0.000 0.461 460 L N 0.384 121.549 121.223 -0.097 0.000 2.552 460 L HA 0.202 4.542 4.340 -0.000 0.000 0.227 460 L C 1.743 178.591 176.870 -0.037 0.000 1.146 460 L CA 0.773 55.571 54.840 -0.070 0.000 0.858 460 L CB -0.680 41.325 42.059 -0.090 0.000 0.969 460 L HN 0.548 nan 8.230 nan 0.000 0.451 461 G N 0.204 108.989 108.800 -0.026 0.000 2.283 461 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.280 461 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.280 461 G C 0.994 175.897 174.900 0.005 0.000 1.029 461 G CA 0.402 45.501 45.100 -0.001 0.000 0.840 461 G HN 0.673 nan 8.290 nan 0.000 0.505 462 G N -1.718 107.082 108.800 0.000 0.000 2.184 462 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.264 462 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.264 462 G C 1.240 176.145 174.900 0.008 0.000 0.975 462 G CA 1.118 46.225 45.100 0.011 0.000 0.642 462 G HN 1.684 nan 8.290 nan 0.000 0.536 463 L N -0.052 121.172 121.223 0.001 0.000 2.079 463 L HA 0.187 4.527 4.340 -0.000 0.000 0.210 463 L C 1.920 178.797 176.870 0.012 0.000 1.081 463 L CA 2.247 57.092 54.840 0.008 0.000 0.752 463 L CB -0.078 41.985 42.059 0.006 0.000 0.896 463 L HN 0.402 nan 8.230 nan 0.000 0.433 464 L N -0.040 121.183 121.223 0.000 0.000 3.094 464 L HA 0.282 4.622 4.340 -0.000 0.000 0.254 464 L C 0.140 177.018 176.870 0.013 0.000 1.298 464 L CA -0.198 54.646 54.840 0.008 0.000 1.050 464 L CB -0.675 41.382 42.059 -0.003 0.000 1.420 464 L HN 0.311 nan 8.230 nan 0.000 0.548 465 N N -0.312 118.400 118.700 0.019 0.000 2.725 465 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 465 N C 0.664 176.198 175.510 0.040 0.000 1.103 465 N CA 0.714 53.783 53.050 0.033 0.000 0.707 465 N CB -0.976 37.535 38.487 0.040 0.000 1.043 465 N HN 0.626 nan 8.380 nan 0.000 0.553 466 G N -0.065 108.744 108.800 0.016 0.000 2.616 466 G HA2 0.489 4.449 3.960 -0.000 0.000 0.268 466 G HA3 0.489 4.449 3.960 -0.000 0.000 0.268 466 G C 0.163 175.112 174.900 0.083 0.000 1.213 466 G CA -0.191 44.917 45.100 0.012 0.000 0.926 466 G HN 0.403 nan 8.290 nan 0.000 0.523 467 N N -1.636 117.168 118.700 0.173 0.000 2.831 467 N HA 0.333 5.073 4.740 -0.000 0.000 0.276 467 N C -0.921 174.774 175.510 0.308 0.000 1.416 467 N CA -0.597 52.570 53.050 0.195 0.000 0.799 467 N CB 1.135 39.733 38.487 0.185 0.000 1.554 467 N HN 0.310 nan 8.380 nan 0.000 0.541 468 T N 0.748 115.392 114.554 0.150 0.000 2.910 468 T HA 0.370 4.720 4.350 -0.000 0.000 0.293 468 T C -0.220 174.353 174.700 -0.211 0.000 1.015 468 T CA -0.208 61.942 62.100 0.084 0.000 1.094 468 T CB 0.324 69.203 68.868 0.018 0.000 0.968 468 T HN 0.373 nan 8.240 nan 0.000 0.521 469 L N 2.374 123.301 121.223 -0.494 0.000 2.346 469 L HA 0.602 4.942 4.340 -0.000 0.000 0.276 469 L C -0.594 176.038 176.870 -0.398 0.000 1.006 469 L CA -0.104 54.218 54.840 -0.864 0.000 0.817 469 L CB 2.148 43.123 42.059 -1.806 0.000 1.272 469 L HN 0.547 nan 8.230 nan 0.000 0.421 470 S N 3.450 118.966 115.700 -0.306 0.000 2.530 470 S HA 0.652 5.122 4.470 -0.000 0.000 0.322 470 S C -0.783 173.751 174.600 -0.110 0.000 1.085 470 S CA -0.553 57.565 58.200 -0.136 0.000 1.096 470 S CB 1.400 64.543 63.200 -0.095 0.000 0.988 470 S HN 0.373 nan 8.310 nan 0.000 0.466 471 V N 3.248 123.141 119.914 -0.035 0.000 2.435 471 V HA 0.712 4.832 4.120 -0.000 0.000 0.290 471 V C 0.944 177.032 176.094 -0.010 0.000 1.030 471 V CA -0.362 61.921 62.300 -0.028 0.000 0.881 471 V CB 1.547 33.378 31.823 0.014 0.000 0.983 471 V HN 0.924 nan 8.190 nan 0.000 0.445 472 G N 2.931 111.721 108.800 -0.018 0.000 2.782 472 G HA2 0.500 4.459 3.960 -0.000 0.000 0.201 472 G HA3 0.500 4.459 3.960 -0.000 0.000 0.201 472 G C 0.150 175.042 174.900 -0.013 0.000 1.374 472 G CA -0.146 44.946 45.100 -0.013 0.000 1.039 472 G HN 0.815 nan 8.290 nan 0.000 0.576 473 S N -1.419 114.274 115.700 -0.011 0.000 2.579 473 S HA 0.421 4.891 4.470 -0.000 0.000 0.275 473 S C 1.370 175.964 174.600 -0.009 0.000 1.345 473 S CA 0.582 58.775 58.200 -0.011 0.000 1.031 473 S CB 0.966 64.161 63.200 -0.008 0.000 0.892 473 S HN 2.320 nan 8.310 nan 0.000 0.529 474 G N 0.898 109.692 108.800 -0.010 0.000 2.189 474 G HA2 0.032 3.992 3.960 -0.000 0.000 0.267 474 G HA3 0.032 3.992 3.960 -0.000 0.000 0.267 474 G C 1.163 176.058 174.900 -0.008 0.000 0.975 474 G CA 0.560 45.656 45.100 -0.006 0.000 0.644 474 G HN 2.397 nan 8.290 nan 0.000 0.537 475 G N -1.172 107.618 108.800 -0.018 0.000 2.162 475 G HA2 0.174 4.134 3.960 -0.000 0.000 0.260 475 G HA3 0.174 4.134 3.960 -0.000 0.000 0.260 475 G C 0.748 175.636 174.900 -0.019 0.000 0.976 475 G CA 1.188 46.271 45.100 -0.028 0.000 0.655 475 G HN 2.334 nan 8.290 nan 0.000 0.533 476 A N 0.036 122.853 122.820 -0.005 0.000 2.454 476 A HA 0.788 5.107 4.320 -0.000 0.000 0.260 476 A C 0.827 178.408 177.584 -0.006 0.000 1.106 476 A CA 0.975 53.019 52.037 0.010 0.000 0.780 476 A CB 0.512 19.524 19.000 0.019 0.000 1.044 476 A HN 2.049 nan 8.150 nan 0.000 0.498 477 A N 3.061 125.880 122.820 -0.002 0.000 2.309 477 A HA 0.610 4.930 4.320 -0.000 0.000 0.298 477 A C 0.831 178.430 177.584 0.025 0.000 1.165 477 A CA 0.112 52.128 52.037 -0.035 0.000 0.821 477 A CB 0.115 19.070 19.000 -0.075 0.000 1.102 477 A HN 1.744 nan 8.150 nan 0.000 0.500 478 S N 2.660 118.364 115.700 0.007 0.000 2.593 478 S HA 0.162 4.632 4.470 -0.000 0.000 0.269 478 S C 0.138 174.807 174.600 0.115 0.000 1.334 478 S CA -0.536 57.688 58.200 0.041 0.000 1.015 478 S CB -0.102 63.106 63.200 0.014 0.000 0.912 478 S HN 0.741 nan 8.310 nan 0.000 0.541 479 N N 0.857 119.610 118.700 0.089 0.000 2.345 479 N HA 0.386 5.126 4.740 -0.000 0.000 0.243 479 N C -0.531 175.083 175.510 0.175 0.000 1.246 479 N CA 0.491 53.585 53.050 0.075 0.000 0.863 479 N CB -0.005 38.493 38.487 0.019 0.000 1.096 479 N HN 0.672 nan 8.380 nan 0.000 0.446 480 F N -2.529 117.369 119.950 -0.087 0.000 2.713 480 F HA 0.455 4.982 4.527 -0.000 0.000 0.311 480 F C -1.073 174.682 175.800 -0.076 0.000 1.141 480 F CA -1.131 56.825 58.000 -0.075 0.000 0.939 480 F CB 0.926 39.876 39.000 -0.084 0.000 1.325 480 F HN 0.084 nan 8.300 nan 0.000 0.453 481 T N 3.184 117.765 114.554 0.045 0.000 2.767 481 T HA 0.526 4.876 4.350 -0.000 0.000 0.288 481 T C -1.124 173.611 174.700 0.059 0.000 0.963 481 T CA -0.279 61.791 62.100 -0.049 0.000 1.019 481 T CB 1.082 69.962 68.868 0.020 0.000 0.923 481 T HN 0.677 nan 8.240 nan 0.000 0.468 482 L N 4.787 125.964 121.223 -0.077 0.000 2.264 482 L HA 0.682 5.022 4.340 -0.000 0.000 0.287 482 L C 0.520 177.410 176.870 0.032 0.000 1.039 482 L CA -0.527 54.343 54.840 0.049 0.000 0.829 482 L CB -0.240 41.794 42.059 -0.041 0.000 1.211 482 L HN 0.769 nan 8.230 nan 0.000 0.427 483 A N 4.269 127.132 122.820 0.071 0.000 2.567 483 A HA 0.453 4.773 4.320 -0.000 0.000 0.236 483 A C 0.640 178.251 177.584 0.044 0.000 1.088 483 A CA 0.361 52.430 52.037 0.052 0.000 0.776 483 A CB -0.198 18.838 19.000 0.060 0.000 1.033 483 A HN 1.168 nan 8.150 nan 0.000 0.513 484 A N 0.250 123.094 122.820 0.039 0.000 2.477 484 A HA 0.497 4.817 4.320 -0.000 0.000 0.246 484 A C 1.660 179.275 177.584 0.051 0.000 1.078 484 A CA 0.651 52.712 52.037 0.040 0.000 0.770 484 A CB -0.876 18.145 19.000 0.035 0.000 1.011 484 A HN 2.780 nan 8.150 nan 0.000 0.494 485 G N 1.825 110.662 108.800 0.062 0.000 2.212 485 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.267 485 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.267 485 G C 0.811 175.754 174.900 0.071 0.000 1.002 485 G CA 0.839 45.985 45.100 0.077 0.000 0.729 485 G HN 1.886 nan 8.290 nan 0.000 0.517 486 G N -0.804 108.034 108.800 0.064 0.000 2.442 486 G HA2 0.568 4.528 3.960 -0.000 0.000 0.249 486 G HA3 0.568 4.528 3.960 -0.000 0.000 0.249 486 G C -0.128 174.798 174.900 0.044 0.000 1.263 486 G CA 0.762 45.895 45.100 0.055 0.000 0.846 486 G HN 0.698 nan 8.290 nan 0.000 0.555 487 T N 0.277 114.834 114.554 0.004 0.000 2.991 487 T HA 0.659 5.009 4.350 -0.000 0.000 0.303 487 T C -0.318 174.290 174.700 -0.153 0.000 1.015 487 T CA -0.113 61.960 62.100 -0.046 0.000 1.007 487 T CB 1.748 70.601 68.868 -0.025 0.000 1.034 487 T HN 1.051 nan 8.240 nan 0.000 0.446 488 A N 2.431 125.058 122.820 -0.322 0.000 2.475 488 A HA 0.892 5.212 4.320 -0.000 0.000 0.301 488 A C -1.169 175.840 177.584 -0.959 0.000 1.059 488 A CA -0.726 50.928 52.037 -0.638 0.000 0.710 488 A CB 1.582 20.125 19.000 -0.762 0.000 1.288 488 A HN 0.665 nan 8.150 nan 0.000 0.408 489 V N 2.361 121.730 119.914 -0.907 0.000 2.531 489 V HA 0.552 4.672 4.120 -0.000 0.000 0.301 489 V C -1.092 174.602 176.094 -0.666 0.000 1.034 489 V CA -0.506 61.373 62.300 -0.701 0.000 0.865 489 V CB 1.366 32.987 31.823 -0.336 0.000 0.995 489 V HN 0.831 nan 8.190 nan 0.000 0.424 490 W N 3.958 125.196 121.300 -0.102 0.000 2.736 490 W HA 0.742 5.402 4.660 -0.000 0.000 0.335 490 W C -0.258 176.204 176.519 -0.095 0.000 1.059 490 W CA -0.640 56.652 57.345 -0.090 0.000 1.226 490 W CB 2.048 31.394 29.460 -0.190 0.000 1.416 490 W HN 0.708 nan 8.180 nan 0.000 0.505 491 Q N 1.175 121.103 119.800 0.213 0.000 2.501 491 Q HA 0.681 5.021 4.340 -0.000 0.000 0.288 491 Q C -2.245 173.934 176.000 0.299 0.000 1.051 491 Q CA -1.115 54.782 55.803 0.156 0.000 0.788 491 Q CB 3.421 32.211 28.738 0.087 0.000 1.469 491 Q HN 0.389 nan 8.270 nan 0.000 0.416 492 Y N 0.731 121.102 120.300 0.118 0.000 2.433 492 Y HA 0.572 5.122 4.550 -0.000 0.000 0.337 492 Y C -1.585 174.373 175.900 0.096 0.000 1.026 492 Y CA -0.129 58.071 58.100 0.167 0.000 1.037 492 Y CB 2.460 41.022 38.460 0.170 0.000 1.245 492 Y HN 0.893 nan 8.280 nan 0.000 0.443 493 T N 2.316 116.538 114.554 -0.553 0.000 2.893 493 T HA 1.002 5.352 4.350 -0.000 0.000 0.293 493 T C -0.853 173.587 174.700 -0.433 0.000 1.027 493 T CA -0.488 61.427 62.100 -0.307 0.000 0.988 493 T CB 1.804 70.571 68.868 -0.167 0.000 1.043 493 T HN 1.185 nan 8.240 nan 0.000 0.461 494 A N 1.171 123.902 122.820 -0.150 0.000 2.597 494 A HA 0.875 5.195 4.320 -0.000 0.000 0.292 494 A C -0.300 177.284 177.584 -0.001 0.000 1.057 494 A CA -0.710 51.286 52.037 -0.067 0.000 0.674 494 A CB 0.549 19.584 19.000 0.057 0.000 1.278 494 A HN 1.739 nan 8.150 nan 0.000 0.416 495 A N 0.626 123.447 122.820 0.001 0.000 2.498 495 A HA 0.542 4.862 4.320 -0.000 0.000 0.239 495 A C 0.477 178.067 177.584 0.011 0.000 1.068 495 A CA 0.827 52.867 52.037 0.003 0.000 0.766 495 A CB -0.431 18.571 19.000 0.002 0.000 1.003 495 A HN 1.047 nan 8.150 nan 0.000 0.497 496 T N 2.341 116.891 114.554 -0.007 0.000 2.767 496 T HA 0.467 4.817 4.350 -0.000 0.000 0.288 496 T C 1.326 176.011 174.700 -0.025 0.000 0.963 496 T CA 0.235 62.318 62.100 -0.027 0.000 1.019 496 T CB 1.601 70.425 68.868 -0.073 0.000 0.923 496 T HN 0.856 nan 8.240 nan 0.000 0.468 497 A N 3.167 125.979 122.820 -0.012 0.000 1.903 497 A HA 0.153 4.473 4.320 -0.000 0.000 0.213 497 A C 1.542 179.133 177.584 0.011 0.000 1.185 497 A CA 0.617 52.657 52.037 0.005 0.000 0.628 497 A CB -0.404 18.602 19.000 0.011 0.000 0.830 497 A HN 0.760 nan 8.150 nan 0.000 0.446 498 T N -1.466 113.084 114.554 -0.007 0.000 2.875 498 T HA 0.548 4.898 4.350 -0.000 0.000 0.284 498 T C -3.081 171.624 174.700 0.007 0.000 0.995 498 T CA -2.350 59.757 62.100 0.011 0.000 1.060 498 T CB 1.272 70.141 68.868 0.002 0.000 0.967 498 T HN -0.047 nan 8.240 nan 0.000 0.476 499 P HA 0.248 nan 4.420 nan 0.000 0.263 499 P C -0.686 176.675 177.300 0.101 0.000 1.195 499 P CA 0.021 63.232 63.100 0.186 0.000 0.762 499 P CB 0.290 32.180 31.700 0.316 0.000 0.799 500 T N 4.296 118.864 114.554 0.023 0.000 2.937 500 T HA 0.452 4.802 4.350 -0.000 0.000 0.297 500 T C 0.050 174.841 174.700 0.152 0.000 0.991 500 T CA -0.413 61.655 62.100 -0.054 0.000 0.990 500 T CB 0.571 69.170 68.868 -0.449 0.000 0.991 500 T HN 0.155 nan 8.240 nan 0.000 0.440 501 I N 2.531 123.256 120.570 0.259 0.000 2.352 501 I HA 0.389 4.559 4.170 -0.000 0.000 0.290 501 I C 1.347 177.645 176.117 0.302 0.000 1.036 501 I CA -0.038 61.433 61.300 0.284 0.000 1.336 501 I CB 1.248 39.332 38.000 0.141 0.000 1.407 501 I HN 0.914 nan 8.210 nan 0.000 0.497 502 G N 5.029 113.831 108.800 0.003 0.000 2.762 502 G HA2 0.050 4.010 3.960 -0.000 0.000 0.209 502 G HA3 0.050 4.010 3.960 -0.000 0.000 0.209 502 G C 0.325 174.944 174.900 -0.468 0.000 1.134 502 G CA 0.287 45.107 45.100 -0.468 0.000 0.781 502 G HN 0.627 nan 8.290 nan 0.000 0.528 503 H N -1.160 117.519 119.070 -0.653 0.000 3.068 503 H HA 0.464 5.020 4.556 -0.000 0.000 0.342 503 H C -2.111 172.778 175.328 -0.732 0.000 1.284 503 H CA -0.268 55.431 56.048 -0.581 0.000 1.181 503 H CB 2.203 31.802 29.762 -0.270 0.000 1.898 503 H HN -0.100 nan 8.280 nan 0.000 0.540 504 V N 1.878 121.098 119.914 -1.157 0.000 2.760 504 V HA 0.711 4.831 4.120 -0.000 0.000 0.309 504 V C 0.052 175.983 176.094 -0.270 0.000 1.077 504 V CA -0.182 61.771 62.300 -0.579 0.000 0.910 504 V CB 1.842 33.350 31.823 -0.525 0.000 1.008 504 V HN 0.914 nan 8.190 nan 0.000 0.424 505 G N 4.125 112.946 108.800 0.034 0.000 2.755 505 G HA2 0.710 4.670 3.960 -0.000 0.000 0.297 505 G HA3 0.710 4.670 3.960 -0.000 0.000 0.297 505 G C -3.413 171.598 174.900 0.184 0.000 1.441 505 G CA -1.046 44.162 45.100 0.180 0.000 0.964 505 G HN 0.476 nan 8.290 nan 0.000 0.540 506 P HA 0.235 nan 4.420 nan 0.000 0.275 506 P C 0.330 177.737 177.300 0.178 0.000 1.266 506 P CA -0.392 62.807 63.100 0.165 0.000 0.793 506 P CB 1.127 32.889 31.700 0.105 0.000 1.074 507 M N -0.493 119.122 119.600 0.025 0.000 2.383 507 M HA 0.281 4.761 4.480 -0.000 0.000 0.247 507 M C 0.497 176.432 176.300 -0.609 0.000 1.117 507 M CA 0.401 55.614 55.300 -0.144 0.000 0.995 507 M CB -0.632 31.948 32.600 -0.033 0.000 1.480 507 M HN 0.432 nan 8.290 nan 0.000 0.485 508 M N 0.746 120.071 119.600 -0.458 0.000 2.274 508 M HA 0.592 5.072 4.480 -0.000 0.000 0.272 508 M C -2.149 174.037 176.300 -0.190 0.000 1.053 508 M CA -0.183 54.864 55.300 -0.422 0.000 0.978 508 M CB 2.107 34.562 32.600 -0.242 0.000 1.836 508 M HN 0.050 nan 8.290 nan 0.000 0.484 509 A N 3.694 126.451 122.820 -0.106 0.000 2.544 509 A HA 0.628 4.948 4.320 -0.000 0.000 0.291 509 A C -1.879 175.740 177.584 0.059 0.000 1.055 509 A CA -0.952 51.097 52.037 0.021 0.000 0.651 509 A CB 1.572 20.635 19.000 0.105 0.000 1.296 509 A HN 0.864 nan 8.150 nan 0.000 0.431 510 K N 0.038 120.463 120.400 0.042 0.000 2.090 510 K HA 0.672 4.992 4.320 -0.000 0.000 0.250 510 K C -2.701 173.913 176.600 0.023 0.000 1.004 510 K CA -1.580 54.727 56.287 0.032 0.000 0.919 510 K CB 0.351 32.858 32.500 0.012 0.000 1.045 510 K HN 0.265 nan 8.250 nan 0.000 0.471 511 P HA -0.033 nan 4.420 nan 0.000 0.266 511 P C 0.478 177.743 177.300 -0.058 0.000 1.193 511 P CA 1.255 64.314 63.100 -0.070 0.000 0.770 511 P CB 0.523 32.172 31.700 -0.086 0.000 0.836 512 G N 0.461 109.211 108.800 -0.084 0.000 2.234 512 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.235 512 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.235 512 G C 0.116 174.997 174.900 -0.033 0.000 0.997 512 G CA -0.110 44.955 45.100 -0.058 0.000 0.623 512 G HN 0.550 nan 8.290 nan 0.000 0.514 513 V N 2.158 122.066 119.914 -0.010 0.000 2.686 513 V HA 0.498 4.618 4.120 -0.000 0.000 0.295 513 V C 0.944 177.053 176.094 0.024 0.000 1.055 513 V CA 0.558 62.868 62.300 0.017 0.000 1.050 513 V CB 1.512 33.365 31.823 0.050 0.000 0.984 513 V HN 0.310 nan 8.190 nan 0.000 0.482 514 T N 6.498 121.064 114.554 0.020 0.000 2.771 514 T HA 0.540 4.890 4.350 -0.000 0.000 0.291 514 T C -0.069 174.662 174.700 0.052 0.000 0.954 514 T CA -0.015 62.099 62.100 0.022 0.000 1.045 514 T CB 0.369 69.238 68.868 0.002 0.000 0.917 514 T HN 0.599 nan 8.240 nan 0.000 0.484 515 I N 0.180 120.786 120.570 0.060 0.000 2.707 515 I HA 0.733 4.903 4.170 -0.000 0.000 0.309 515 I C -0.409 175.711 176.117 0.005 0.000 1.001 515 I CA -0.753 60.590 61.300 0.071 0.000 1.129 515 I CB 2.017 40.076 38.000 0.098 0.000 1.308 515 I HN 0.326 nan 8.210 nan 0.000 0.466 516 T N 5.975 120.533 114.554 0.006 0.000 2.786 516 T HA 0.574 4.923 4.350 -0.000 0.000 0.283 516 T C -0.174 174.478 174.700 -0.080 0.000 0.992 516 T CA -0.214 61.867 62.100 -0.032 0.000 0.954 516 T CB 0.868 69.743 68.868 0.011 0.000 0.934 516 T HN 0.383 nan 8.240 nan 0.000 0.440 517 I N 3.616 124.085 120.570 -0.168 0.000 2.330 517 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 517 I C -0.390 175.653 176.117 -0.123 0.000 1.001 517 I CA -0.718 60.432 61.300 -0.248 0.000 1.193 517 I CB 1.189 38.933 38.000 -0.426 0.000 1.345 517 I HN 0.471 nan 8.210 nan 0.000 0.461 518 D N 4.454 124.822 120.400 -0.054 0.000 2.340 518 D HA 0.787 5.427 4.640 -0.000 0.000 0.240 518 D C 0.228 176.493 176.300 -0.057 0.000 1.001 518 D CA -0.061 53.952 54.000 0.020 0.000 0.888 518 D CB 2.670 43.432 40.800 -0.064 0.000 1.310 518 D HN 0.772 nan 8.370 nan 0.000 0.474 519 G N 0.463 109.181 108.800 -0.136 0.000 2.566 519 G HA2 0.243 4.203 3.960 -0.000 0.000 0.138 519 G HA3 0.243 4.203 3.960 -0.000 0.000 0.138 519 G C -1.316 173.369 174.900 -0.358 0.000 1.133 519 G CA -0.543 44.422 45.100 -0.225 0.000 1.037 519 G HN 0.312 nan 8.290 nan 0.000 0.491 520 R N -0.797 119.405 120.500 -0.496 0.000 2.739 520 R HA 0.637 4.977 4.340 -0.000 0.000 0.271 520 R C 0.528 176.493 176.300 -0.557 0.000 1.010 520 R CA -0.056 55.788 56.100 -0.427 0.000 0.897 520 R CB 1.058 31.337 30.300 -0.035 0.000 1.236 520 R HN 2.252 nan 8.270 nan 0.000 0.466 521 G N 1.019 109.624 108.800 -0.325 0.000 2.160 521 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.251 521 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.251 521 G C 0.239 175.162 174.900 0.037 0.000 1.008 521 G CA 0.417 45.444 45.100 -0.123 0.000 0.724 521 G HN 0.424 nan 8.290 nan 0.000 0.514 522 F N 0.848 120.824 119.950 0.044 0.000 2.456 522 F HA 0.398 4.925 4.527 -0.000 0.000 0.298 522 F C 2.049 178.095 175.800 0.409 0.000 1.104 522 F CA 1.023 59.091 58.000 0.113 0.000 1.435 522 F CB -0.643 38.170 39.000 -0.311 0.000 1.078 522 F HN 1.126 nan 8.300 nan 0.000 0.546 523 G N -0.077 108.972 108.800 0.416 0.000 2.756 523 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.678 523 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.678 523 G C 0.701 175.869 174.900 0.447 0.000 1.349 523 G CA -0.103 45.208 45.100 0.352 0.000 0.847 523 G HN 0.410 nan 8.290 nan 0.000 0.548 524 S N -1.409 114.453 115.700 0.270 0.000 2.486 524 S HA 0.450 4.920 4.470 -0.000 0.000 0.220 524 S C 1.163 175.863 174.600 0.166 0.000 1.011 524 S CA 1.263 59.609 58.200 0.243 0.000 0.921 524 S CB 0.349 63.625 63.200 0.127 0.000 0.785 524 S HN 1.150 nan 8.310 nan 0.000 0.517 525 S N 1.865 117.565 115.700 -0.000 0.000 2.554 525 S HA 0.377 4.847 4.470 -0.000 0.000 0.278 525 S C -0.138 174.026 174.600 -0.725 0.000 1.242 525 S CA -0.718 57.352 58.200 -0.217 0.000 1.051 525 S CB 0.846 63.943 63.200 -0.172 0.000 0.986 525 S HN 0.333 nan 8.310 nan 0.000 0.502 526 K N 1.589 121.554 120.400 -0.726 0.000 2.489 526 K HA 0.201 4.521 4.320 -0.000 0.000 0.278 526 K C 0.830 176.672 176.600 -1.262 0.000 1.000 526 K CA -0.050 55.532 56.287 -1.174 0.000 1.012 526 K CB 0.348 32.560 32.500 -0.480 0.000 0.903 526 K HN 0.716 nan 8.250 nan 0.000 0.485 527 G N 1.522 109.118 108.800 -2.007 0.000 3.310 527 G HA2 0.330 4.290 3.960 -0.000 0.000 0.176 527 G HA3 0.330 4.290 3.960 -0.000 0.000 0.176 527 G C -0.765 173.857 174.900 -0.463 0.000 1.307 527 G CA -0.218 44.306 45.100 -0.961 0.000 0.935 527 G HN 0.504 nan 8.290 nan 0.000 0.628 528 T N -0.432 114.055 114.554 -0.111 0.000 2.900 528 T HA 0.586 4.936 4.350 -0.000 0.000 0.295 528 T C -1.056 173.641 174.700 -0.005 0.000 1.044 528 T CA -0.269 61.768 62.100 -0.104 0.000 0.995 528 T CB 2.154 70.903 68.868 -0.199 0.000 1.072 528 T HN 0.324 nan 8.240 nan 0.000 0.473 529 V N 2.625 122.453 119.914 -0.144 0.000 2.604 529 V HA 0.535 4.655 4.120 -0.000 0.000 0.305 529 V C -1.432 174.516 176.094 -0.243 0.000 1.043 529 V CA -0.935 61.310 62.300 -0.091 0.000 0.888 529 V CB 1.250 33.069 31.823 -0.008 0.000 0.995 529 V HN 0.818 nan 8.190 nan 0.000 0.429 530 Y N 3.365 123.641 120.300 -0.040 0.000 2.377 530 Y HA 0.674 5.224 4.550 0.000 0.000 0.339 530 Y C -0.540 175.291 175.900 -0.114 0.000 1.011 530 Y CA -1.045 57.066 58.100 0.019 0.000 1.093 530 Y CB 1.729 40.199 38.460 0.017 0.000 1.201 530 Y HN 0.510 nan 8.280 nan 0.000 0.455 531 F N 2.216 122.214 119.950 0.079 0.000 2.434 531 F HA 0.556 5.083 4.527 -0.000 0.000 0.367 531 F C 0.848 176.781 175.800 0.222 0.000 1.093 531 F CA -0.429 57.577 58.000 0.010 0.000 1.085 531 F CB 0.984 39.823 39.000 -0.270 0.000 1.322 531 F HN 0.791 nan 8.300 nan 0.000 0.452 532 G N 2.150 111.207 108.800 0.427 0.000 2.531 532 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.274 532 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.274 532 G C 1.097 176.173 174.900 0.293 0.000 1.159 532 G CA 0.384 45.722 45.100 0.396 0.000 0.969 532 G HN 0.798 nan 8.290 nan 0.000 0.554 533 T N -1.787 112.927 114.554 0.267 0.000 3.100 533 T HA 0.384 4.734 4.350 -0.000 0.000 0.253 533 T C 1.096 175.959 174.700 0.271 0.000 1.118 533 T CA 1.586 63.823 62.100 0.229 0.000 1.058 533 T CB -0.060 68.901 68.868 0.156 0.000 0.953 533 T HN 0.792 nan 8.240 nan 0.000 0.515 534 T N 3.175 117.883 114.554 0.257 0.000 2.814 534 T HA 0.614 4.963 4.350 -0.000 0.000 0.297 534 T C 0.131 174.907 174.700 0.128 0.000 0.956 534 T CA -0.400 61.796 62.100 0.160 0.000 1.123 534 T CB 0.862 69.783 68.868 0.088 0.000 0.902 534 T HN 0.528 nan 8.240 nan 0.000 0.528 535 A N 3.441 126.263 122.820 0.003 0.000 2.305 535 A HA 0.713 5.033 4.320 -0.000 0.000 0.322 535 A C -0.455 177.023 177.584 -0.176 0.000 1.187 535 A CA -0.601 51.291 52.037 -0.242 0.000 0.825 535 A CB 0.772 19.613 19.000 -0.265 0.000 1.164 535 A HN 0.672 nan 8.150 nan 0.000 0.498 536 V N 2.294 122.083 119.914 -0.208 0.000 2.588 536 V HA 0.758 4.878 4.120 -0.000 0.000 0.304 536 V C -0.014 176.005 176.094 -0.126 0.000 1.042 536 V CA 0.125 62.355 62.300 -0.118 0.000 0.877 536 V CB 1.611 33.413 31.823 -0.035 0.000 0.996 536 V HN 1.342 nan 8.190 nan 0.000 0.425 537 S N 2.529 118.168 115.700 -0.103 0.000 2.615 537 S HA 0.956 5.426 4.470 -0.000 0.000 0.269 537 S C 0.011 174.563 174.600 -0.080 0.000 1.161 537 S CA 0.162 58.303 58.200 -0.100 0.000 0.817 537 S CB 1.572 64.692 63.200 -0.133 0.000 1.131 537 S HN 2.252 nan 8.310 nan 0.000 0.467 538 G N 1.334 110.083 108.800 -0.084 0.000 2.512 538 G HA2 0.128 4.088 3.960 -0.000 0.000 0.254 538 G HA3 0.128 4.088 3.960 -0.000 0.000 0.254 538 G C 1.074 175.947 174.900 -0.045 0.000 1.199 538 G CA 0.952 46.012 45.100 -0.068 0.000 0.941 538 G HN 2.009 nan 8.290 nan 0.000 0.569 539 A N -0.913 121.882 122.820 -0.040 0.000 1.958 539 A HA -0.054 4.265 4.320 -0.000 0.000 0.221 539 A C 1.940 179.509 177.584 -0.025 0.000 1.178 539 A CA 2.867 54.886 52.037 -0.030 0.000 0.642 539 A CB -0.673 18.309 19.000 -0.031 0.000 0.816 539 A HN 0.734 nan 8.150 nan 0.000 0.453 540 D N -0.642 119.737 120.400 -0.034 0.000 2.350 540 D HA 0.032 4.672 4.640 -0.000 0.000 0.216 540 D C 0.366 176.660 176.300 -0.010 0.000 0.968 540 D CA 0.490 54.469 54.000 -0.035 0.000 0.894 540 D CB -0.188 40.575 40.800 -0.062 0.000 0.909 540 D HN 0.480 nan 8.370 nan 0.000 0.520 541 I N 1.228 121.804 120.570 0.010 0.000 2.281 541 I HA 0.007 4.177 4.170 -0.000 0.000 0.293 541 I C 1.239 177.387 176.117 0.052 0.000 1.085 541 I CA -0.105 61.231 61.300 0.059 0.000 1.257 541 I CB 1.207 39.275 38.000 0.113 0.000 1.430 541 I HN -0.164 nan 8.210 nan 0.000 0.489 542 T N 2.832 117.409 114.554 0.037 0.000 2.746 542 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 542 T C 0.726 175.455 174.700 0.047 0.000 1.039 542 T CA 1.125 63.242 62.100 0.027 0.000 1.142 542 T CB -0.069 68.805 68.868 0.010 0.000 0.866 542 T HN 0.710 nan 8.240 nan 0.000 0.444 543 S N -0.802 114.943 115.700 0.075 0.000 2.550 543 S HA 0.568 5.038 4.470 -0.000 0.000 0.270 543 S C -2.246 172.470 174.600 0.193 0.000 1.145 543 S CA -1.138 57.126 58.200 0.107 0.000 0.852 543 S CB 2.300 65.535 63.200 0.059 0.000 1.119 543 S HN 0.399 nan 8.310 nan 0.000 0.465 544 W N 2.907 124.201 121.300 -0.010 0.000 3.211 544 W HA 0.539 5.199 4.660 -0.000 0.000 0.335 544 W C -1.515 175.027 176.519 0.038 0.000 1.113 544 W CA -0.449 56.898 57.345 0.004 0.000 1.235 544 W CB 1.710 31.161 29.460 -0.015 0.000 1.365 544 W HN 1.165 nan 8.180 nan 0.000 0.476 545 E N 1.513 121.793 120.200 0.133 0.000 2.449 545 E HA 0.231 4.581 4.350 -0.000 0.000 0.278 545 E C -0.332 176.335 176.600 0.112 0.000 0.992 545 E CA -0.582 55.926 56.400 0.179 0.000 0.807 545 E CB 1.932 31.695 29.700 0.105 0.000 1.350 545 E HN 0.203 nan 8.360 nan 0.000 0.462 546 D N -0.046 120.425 120.400 0.120 0.000 2.172 546 D HA -0.203 4.437 4.640 -0.000 0.000 0.196 546 D C 1.614 177.831 176.300 -0.138 0.000 0.999 546 D CA 2.797 56.825 54.000 0.047 0.000 0.856 546 D CB 0.215 41.027 40.800 0.020 0.000 0.934 546 D HN 0.582 nan 8.370 nan 0.000 0.453 547 T N -3.641 110.864 114.554 -0.082 0.000 3.023 547 T HA 0.119 4.469 4.350 -0.000 0.000 0.253 547 T C 0.433 175.156 174.700 0.039 0.000 1.038 547 T CA -0.510 61.499 62.100 -0.152 0.000 0.962 547 T CB 0.374 69.193 68.868 -0.081 0.000 1.018 547 T HN 0.140 nan 8.240 nan 0.000 0.521 548 Q N 0.332 120.195 119.800 0.105 0.000 2.268 548 Q HA 0.630 4.970 4.340 -0.000 0.000 0.266 548 Q C -2.057 173.875 176.000 -0.114 0.000 1.006 548 Q CA -0.840 54.989 55.803 0.044 0.000 0.824 548 Q CB 1.847 30.579 28.738 -0.009 0.000 1.306 548 Q HN 0.459 nan 8.270 nan 0.000 0.424 549 I N 2.744 123.159 120.570 -0.259 0.000 2.474 549 I HA 0.470 4.640 4.170 -0.000 0.000 0.294 549 I C -0.775 175.231 176.117 -0.186 0.000 1.005 549 I CA -0.838 60.240 61.300 -0.369 0.000 1.113 549 I CB 2.135 39.690 38.000 -0.742 0.000 1.289 549 I HN 0.412 nan 8.210 nan 0.000 0.436 550 K N 4.647 124.996 120.400 -0.085 0.000 2.358 550 K HA 0.724 5.044 4.320 -0.000 0.000 0.260 550 K C -1.511 175.082 176.600 -0.012 0.000 0.956 550 K CA -0.454 55.808 56.287 -0.042 0.000 0.834 550 K CB 1.891 34.380 32.500 -0.017 0.000 1.102 550 K HN 0.351 nan 8.250 nan 0.000 0.431 551 V N 3.438 123.346 119.914 -0.010 0.000 2.971 551 V HA 0.469 4.589 4.120 -0.000 0.000 0.309 551 V C -1.435 174.670 176.094 0.019 0.000 1.130 551 V CA -0.899 61.413 62.300 0.019 0.000 0.964 551 V CB 1.952 33.803 31.823 0.047 0.000 1.029 551 V HN 0.684 nan 8.190 nan 0.000 0.427 552 K N 5.669 126.060 120.400 -0.016 0.000 2.249 552 K HA 0.499 4.819 4.320 -0.000 0.000 0.280 552 K C -0.410 176.088 176.600 -0.170 0.000 1.033 552 K CA -0.286 55.964 56.287 -0.062 0.000 0.946 552 K CB 1.261 33.717 32.500 -0.073 0.000 1.005 552 K HN 0.589 nan 8.250 nan 0.000 0.469 553 I N 5.856 126.298 120.570 -0.213 0.000 2.618 553 I HA 0.023 4.193 4.170 -0.000 0.000 0.284 553 I C -1.591 174.212 176.117 -0.524 0.000 1.146 553 I CA -1.718 59.261 61.300 -0.534 0.000 1.425 553 I CB 0.309 38.167 38.000 -0.236 0.000 1.383 553 I HN 0.384 nan 8.210 nan 0.000 0.562 554 P HA 0.058 nan 4.420 nan 0.000 0.274 554 P C -0.494 176.603 177.300 -0.338 0.000 1.246 554 P CA -0.523 62.295 63.100 -0.469 0.000 0.795 554 P CB 0.779 32.175 31.700 -0.507 0.000 1.006 555 A N 1.733 124.427 122.820 -0.209 0.000 2.958 555 A HA 0.297 4.617 4.320 -0.000 0.000 0.247 555 A C 0.864 178.381 177.584 -0.111 0.000 1.679 555 A CA -0.397 51.560 52.037 -0.135 0.000 1.345 555 A CB -1.672 17.276 19.000 -0.087 0.000 1.013 555 A HN 0.417 nan 8.150 nan 0.000 0.641 556 V N -2.648 117.169 119.914 -0.160 0.000 3.083 556 V HA 0.737 4.857 4.120 -0.000 0.000 0.306 556 V C 0.813 176.915 176.094 0.013 0.000 1.077 556 V CA -0.897 61.351 62.300 -0.086 0.000 1.073 556 V CB 0.417 32.124 31.823 -0.193 0.000 1.081 556 V HN 0.795 nan 8.190 nan 0.000 0.474 557 A N 1.781 124.667 122.820 0.111 0.000 2.520 557 A HA 0.513 4.833 4.320 -0.000 0.000 0.235 557 A C 1.029 178.739 177.584 0.211 0.000 1.065 557 A CA 0.331 52.451 52.037 0.139 0.000 0.764 557 A CB -0.711 18.375 19.000 0.144 0.000 1.002 557 A HN 2.040 nan 8.150 nan 0.000 0.502 558 G N 0.205 109.093 108.800 0.148 0.000 2.391 558 G HA2 0.561 4.521 3.960 -0.000 0.000 0.234 558 G HA3 0.561 4.521 3.960 -0.000 0.000 0.234 558 G C 0.464 175.489 174.900 0.209 0.000 1.284 558 G CA 0.623 45.822 45.100 0.164 0.000 0.873 558 G HN 1.947 nan 8.290 nan 0.000 0.549 559 G N 0.657 109.618 108.800 0.268 0.000 2.327 559 G HA2 0.288 4.248 3.960 -0.000 0.000 0.291 559 G HA3 0.288 4.248 3.960 -0.000 0.000 0.291 559 G C -1.354 173.639 174.900 0.154 0.000 1.290 559 G CA -0.894 44.285 45.100 0.131 0.000 0.857 559 G HN 0.820 nan 8.290 nan 0.000 0.520 560 N N -0.640 118.009 118.700 -0.086 0.000 2.419 560 N HA 0.723 5.463 4.740 -0.000 0.000 0.277 560 N C -1.482 173.933 175.510 -0.158 0.000 1.006 560 N CA -0.306 52.747 53.050 0.006 0.000 0.923 560 N CB 0.836 39.309 38.487 -0.024 0.000 1.140 560 N HN 0.446 nan 8.380 nan 0.000 0.488 561 Y N 0.893 121.327 120.300 0.224 0.000 2.512 561 Y HA 0.435 4.985 4.550 0.000 0.000 0.348 561 Y C -0.250 175.759 175.900 0.182 0.000 0.990 561 Y CA -1.127 57.104 58.100 0.218 0.000 1.033 561 Y CB 1.431 40.075 38.460 0.308 0.000 1.259 561 Y HN 0.434 nan 8.280 nan 0.000 0.461 562 N N 2.386 121.237 118.700 0.252 0.000 2.479 562 N HA 0.359 5.099 4.740 -0.000 0.000 0.285 562 N C -0.969 174.589 175.510 0.080 0.000 1.075 562 N CA -0.318 52.820 53.050 0.146 0.000 0.967 562 N CB 1.069 39.608 38.487 0.087 0.000 1.137 562 N HN 0.401 nan 8.380 nan 0.000 0.472 563 I N 1.106 121.681 120.570 0.008 0.000 2.392 563 I HA 0.390 4.560 4.170 -0.000 0.000 0.295 563 I C 0.460 176.543 176.117 -0.056 0.000 0.985 563 I CA -0.405 60.791 61.300 -0.173 0.000 1.221 563 I CB 0.806 38.624 38.000 -0.304 0.000 1.366 563 I HN 0.366 nan 8.210 nan 0.000 0.467 564 K N 4.872 125.247 120.400 -0.042 0.000 2.532 564 K HA 0.729 5.049 4.320 -0.000 0.000 0.265 564 K C -1.441 175.234 176.600 0.124 0.000 0.948 564 K CA -0.555 55.747 56.287 0.025 0.000 0.842 564 K CB 2.917 35.402 32.500 -0.024 0.000 1.392 564 K HN 0.437 nan 8.250 nan 0.000 0.436 565 V N -1.105 118.871 119.914 0.102 0.000 3.126 565 V HA 1.006 5.126 4.120 -0.000 0.000 0.314 565 V C -1.254 175.006 176.094 0.276 0.000 1.138 565 V CA -0.698 61.704 62.300 0.170 0.000 1.034 565 V CB 1.598 33.353 31.823 -0.113 0.000 1.075 565 V HN 0.899 nan 8.190 nan 0.000 0.442 566 A N 2.009 125.052 122.820 0.371 0.000 2.475 566 A HA 0.832 5.152 4.320 -0.000 0.000 0.301 566 A C -0.388 177.384 177.584 0.314 0.000 1.059 566 A CA -0.645 51.573 52.037 0.301 0.000 0.710 566 A CB 1.390 20.571 19.000 0.301 0.000 1.288 566 A HN 1.386 nan 8.150 nan 0.000 0.408 567 N N 1.068 119.924 118.700 0.260 0.000 2.327 567 N HA 0.401 5.141 4.740 -0.000 0.000 0.257 567 N C 1.143 176.664 175.510 0.017 0.000 1.281 567 N CA 0.135 53.323 53.050 0.230 0.000 0.942 567 N CB 0.281 38.917 38.487 0.249 0.000 1.199 567 N HN 0.719 nan 8.380 nan 0.000 0.532 568 A N -0.572 122.197 122.820 -0.086 0.000 1.978 568 A HA -0.025 4.295 4.320 -0.000 0.000 0.220 568 A C 2.013 179.563 177.584 -0.056 0.000 1.170 568 A CA 2.095 54.048 52.037 -0.140 0.000 0.636 568 A CB -1.410 17.494 19.000 -0.160 0.000 0.810 568 A HN 0.886 nan 8.150 nan 0.000 0.448 569 A N -2.041 120.775 122.820 -0.008 0.000 2.235 569 A HA 0.399 4.719 4.320 -0.000 0.000 0.208 569 A C 1.817 179.414 177.584 0.021 0.000 1.172 569 A CA 1.237 53.279 52.037 0.007 0.000 0.786 569 A CB -0.877 18.135 19.000 0.020 0.000 0.804 569 A HN 1.906 nan 8.150 nan 0.000 0.479 570 G N -1.612 107.209 108.800 0.035 0.000 2.157 570 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.248 570 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.248 570 G C 0.309 175.252 174.900 0.071 0.000 0.979 570 G CA 0.327 45.462 45.100 0.058 0.000 0.650 570 G HN 0.598 nan 8.290 nan 0.000 0.529 571 T N 1.679 116.278 114.554 0.076 0.000 2.814 571 T HA 0.605 4.955 4.350 -0.000 0.000 0.297 571 T C 0.801 175.557 174.700 0.093 0.000 0.956 571 T CA 0.550 62.693 62.100 0.071 0.000 1.123 571 T CB 1.519 70.426 68.868 0.065 0.000 0.902 571 T HN 1.267 nan 8.240 nan 0.000 0.528 572 A N 3.614 126.469 122.820 0.059 0.000 2.351 572 A HA 0.624 4.944 4.320 -0.000 0.000 0.257 572 A C 0.881 178.500 177.584 0.057 0.000 1.087 572 A CA -0.675 51.391 52.037 0.048 0.000 0.798 572 A CB 0.258 19.241 19.000 -0.029 0.000 1.033 572 A HN 0.884 nan 8.150 nan 0.000 0.488 573 S N 1.521 117.263 115.700 0.070 0.000 2.690 573 S HA 0.437 4.907 4.470 -0.000 0.000 0.285 573 S C 0.223 174.847 174.600 0.040 0.000 1.135 573 S CA -0.561 57.685 58.200 0.077 0.000 1.020 573 S CB 0.324 63.602 63.200 0.130 0.000 1.159 573 S HN 0.922 nan 8.310 nan 0.000 0.534 574 N N -0.246 118.483 118.700 0.048 0.000 2.381 574 N HA 0.224 4.964 4.740 -0.000 0.000 0.254 574 N C -0.716 174.831 175.510 0.061 0.000 1.264 574 N CA -0.509 52.567 53.050 0.043 0.000 0.942 574 N CB 0.113 38.632 38.487 0.053 0.000 1.190 574 N HN 0.438 nan 8.380 nan 0.000 0.495 575 V N 0.720 120.665 119.914 0.052 0.000 2.439 575 V HA 0.151 4.271 4.120 -0.000 0.000 0.282 575 V C -0.942 175.214 176.094 0.104 0.000 1.039 575 V CA -0.676 61.660 62.300 0.060 0.000 0.913 575 V CB 0.241 32.078 31.823 0.023 0.000 0.983 575 V HN 0.628 nan 8.190 nan 0.000 0.460 576 Y N 4.810 125.104 120.300 -0.010 0.000 2.417 576 Y HA 0.433 4.983 4.550 0.000 0.000 0.336 576 Y C 0.377 176.284 175.900 0.012 0.000 0.961 576 Y CA -1.189 56.910 58.100 -0.002 0.000 1.215 576 Y CB 0.711 39.154 38.460 -0.027 0.000 1.120 576 Y HN 0.905 nan 8.280 nan 0.000 0.499 577 D N 1.663 122.028 120.400 -0.059 0.000 2.451 577 D HA 0.175 4.815 4.640 -0.000 0.000 0.259 577 D C 0.089 176.420 176.300 0.052 0.000 1.201 577 D CA -0.421 53.588 54.000 0.016 0.000 1.028 577 D CB 0.435 41.224 40.800 -0.018 0.000 1.095 577 D HN 0.455 nan 8.370 nan 0.000 0.539 578 N N -2.895 115.854 118.700 0.082 0.000 2.818 578 N HA -0.216 4.524 4.740 -0.000 0.000 0.250 578 N C -1.284 174.307 175.510 0.134 0.000 1.108 578 N CA 0.141 53.236 53.050 0.075 0.000 0.745 578 N CB -1.715 36.778 38.487 0.010 0.000 1.104 578 N HN 0.464 nan 8.380 nan 0.000 0.557 579 F N 1.749 121.774 119.950 0.124 0.000 2.456 579 F HA 0.329 4.856 4.527 -0.000 0.000 0.358 579 F C 0.729 176.647 175.800 0.196 0.000 1.095 579 F CA -0.303 57.791 58.000 0.155 0.000 1.216 579 F CB 0.679 39.777 39.000 0.163 0.000 1.125 579 F HN 0.139 nan 8.300 nan 0.000 0.549 580 E N 5.897 125.797 120.200 -0.499 0.000 2.113 580 E HA 0.395 4.745 4.350 -0.000 0.000 0.273 580 E C -1.587 174.924 176.600 -0.149 0.000 0.924 580 E CA -0.765 55.539 56.400 -0.160 0.000 0.764 580 E CB 1.300 30.917 29.700 -0.138 0.000 1.104 580 E HN 0.509 nan 8.360 nan 0.000 0.406 581 V N 6.420 126.486 119.914 0.254 0.000 2.406 581 V HA 0.192 4.311 4.120 -0.000 0.000 0.272 581 V C 0.554 176.728 176.094 0.132 0.000 1.043 581 V CA -0.422 62.033 62.300 0.259 0.000 0.915 581 V CB 0.780 32.759 31.823 0.259 0.000 0.988 581 V HN 0.708 nan 8.190 nan 0.000 0.466 582 L N 3.461 124.723 121.223 0.065 0.000 2.466 582 L HA 0.265 4.605 4.340 -0.000 0.000 0.257 582 L C 1.423 178.320 176.870 0.045 0.000 1.189 582 L CA -0.041 54.821 54.840 0.037 0.000 0.813 582 L CB 0.798 42.862 42.059 0.008 0.000 1.118 582 L HN 0.626 nan 8.230 nan 0.000 0.471 583 S N -0.204 115.517 115.700 0.035 0.000 2.558 583 S HA 0.299 4.769 4.470 -0.000 0.000 0.217 583 S C 0.429 175.039 174.600 0.018 0.000 0.975 583 S CA 0.469 58.687 58.200 0.031 0.000 0.912 583 S CB 0.197 63.413 63.200 0.027 0.000 0.776 583 S HN 0.927 nan 8.310 nan 0.000 0.526 584 G N 0.643 109.451 108.800 0.013 0.000 2.352 584 G HA2 0.120 4.080 3.960 -0.000 0.000 0.283 584 G HA3 0.120 4.080 3.960 -0.000 0.000 0.283 584 G C -2.255 172.648 174.900 0.004 0.000 1.308 584 G CA -0.998 44.106 45.100 0.007 0.000 0.892 584 G HN 0.065 nan 8.290 nan 0.000 0.504 585 D N 0.920 121.322 120.400 0.002 0.000 2.400 585 D HA 0.338 4.978 4.640 -0.000 0.000 0.238 585 D C 0.116 176.417 176.300 0.003 0.000 1.157 585 D CA 0.525 54.524 54.000 -0.002 0.000 0.889 585 D CB 0.747 41.546 40.800 -0.001 0.000 1.199 585 D HN 0.294 nan 8.370 nan 0.000 0.436 586 Q N 0.363 120.162 119.800 -0.003 0.000 2.306 586 Q HA 0.544 4.884 4.340 -0.000 0.000 0.265 586 Q C -0.282 175.734 176.000 0.026 0.000 1.022 586 Q CA -0.972 54.838 55.803 0.012 0.000 0.853 586 Q CB 2.311 31.046 28.738 -0.005 0.000 1.327 586 Q HN 0.327 nan 8.270 nan 0.000 0.449 587 V N -1.936 118.015 119.914 0.062 0.000 2.914 587 V HA 0.670 4.790 4.120 -0.000 0.000 0.314 587 V C -0.211 175.966 176.094 0.138 0.000 1.084 587 V CA -0.974 61.383 62.300 0.096 0.000 0.963 587 V CB 2.004 33.887 31.823 0.100 0.000 1.025 587 V HN 0.682 nan 8.190 nan 0.000 0.432 588 S N 1.713 117.526 115.700 0.188 0.000 2.430 588 S HA 0.674 5.144 4.470 -0.000 0.000 0.289 588 S C -0.558 174.175 174.600 0.222 0.000 1.143 588 S CA -0.326 58.022 58.200 0.247 0.000 1.067 588 S CB 0.371 63.822 63.200 0.419 0.000 0.964 588 S HN 0.791 nan 8.310 nan 0.000 0.485 589 V N 6.371 126.406 119.914 0.202 0.000 2.495 589 V HA 0.523 4.643 4.120 -0.000 0.000 0.298 589 V C 0.178 176.309 176.094 0.062 0.000 1.031 589 V CA -0.981 61.363 62.300 0.073 0.000 0.871 589 V CB 1.755 33.563 31.823 -0.025 0.000 0.988 589 V HN 0.835 nan 8.190 nan 0.000 0.432 590 R N 3.615 124.107 120.500 -0.014 0.000 2.229 590 R HA 0.519 4.859 4.340 -0.000 0.000 0.328 590 R C -1.557 174.683 176.300 -0.099 0.000 1.009 590 R CA -0.293 55.862 56.100 0.092 0.000 0.864 590 R CB 0.580 30.973 30.300 0.154 0.000 1.085 590 R HN 0.491 nan 8.270 nan 0.000 0.453 591 F N 3.756 123.722 119.950 0.026 0.000 2.421 591 F HA 0.427 4.954 4.527 -0.000 0.000 0.337 591 F C -0.238 175.603 175.800 0.068 0.000 1.105 591 F CA -0.607 57.395 58.000 0.005 0.000 1.049 591 F CB 2.059 41.099 39.000 0.066 0.000 1.139 591 F HN 0.116 nan 8.300 nan 0.000 0.479 592 V N 4.062 124.040 119.914 0.108 0.000 2.577 592 V HA 0.515 4.635 4.120 -0.000 0.000 0.303 592 V C -1.079 174.903 176.094 -0.186 0.000 1.042 592 V CA -0.886 61.340 62.300 -0.124 0.000 0.872 592 V CB 1.984 33.560 31.823 -0.413 0.000 0.998 592 V HN 0.528 nan 8.190 nan 0.000 0.423 593 V N 5.693 125.411 119.914 -0.327 0.000 2.487 593 V HA 0.591 4.711 4.120 -0.000 0.000 0.298 593 V C -0.498 175.500 176.094 -0.161 0.000 1.028 593 V CA -0.438 61.601 62.300 -0.436 0.000 0.860 593 V CB 1.870 33.014 31.823 -1.132 0.000 0.991 593 V HN 0.941 nan 8.190 nan 0.000 0.427 594 N N 5.414 124.071 118.700 -0.072 0.000 2.487 594 N HA 0.380 5.120 4.740 -0.000 0.000 0.292 594 N C -0.480 175.060 175.510 0.050 0.000 1.108 594 N CA -0.314 52.732 53.050 -0.007 0.000 0.956 594 N CB 0.950 39.436 38.487 -0.001 0.000 1.176 594 N HN 0.786 nan 8.380 nan 0.000 0.484 595 N N -0.557 118.145 118.700 0.002 0.000 2.708 595 N HA -0.174 4.566 4.740 -0.000 0.000 0.255 595 N C -1.055 174.419 175.510 -0.060 0.000 1.046 595 N CA 0.423 53.456 53.050 -0.028 0.000 0.715 595 N CB -1.408 37.096 38.487 0.028 0.000 0.895 595 N HN 0.680 nan 8.380 nan 0.000 0.545 596 A N 0.244 122.994 122.820 -0.117 0.000 2.786 596 A HA 0.485 4.805 4.320 -0.000 0.000 0.346 596 A C 0.823 178.279 177.584 -0.212 0.000 1.265 596 A CA -0.137 51.691 52.037 -0.347 0.000 0.858 596 A CB 0.198 19.015 19.000 -0.304 0.000 1.118 596 A HN 0.379 nan 8.150 nan 0.000 0.482 597 T N 0.268 114.674 114.554 -0.247 0.000 2.907 597 T HA 0.590 4.940 4.350 -0.000 0.000 0.298 597 T C 0.316 175.057 174.700 0.069 0.000 1.017 597 T CA 0.382 62.494 62.100 0.019 0.000 1.118 597 T CB 0.834 69.710 68.868 0.014 0.000 0.948 597 T HN 0.906 nan 8.240 nan 0.000 0.531 598 T N -0.559 114.191 114.554 0.326 0.000 2.883 598 T HA 0.778 5.128 4.350 -0.000 0.000 0.296 598 T C -0.283 174.487 174.700 0.117 0.000 1.117 598 T CA -0.910 61.285 62.100 0.159 0.000 1.006 598 T CB 1.414 70.432 68.868 0.250 0.000 1.191 598 T HN 1.076 nan 8.240 nan 0.000 0.508 599 A N 1.075 123.930 122.820 0.059 0.000 2.279 599 A HA 0.712 5.032 4.320 -0.000 0.000 0.303 599 A C 0.154 177.757 177.584 0.032 0.000 1.108 599 A CA -0.918 51.139 52.037 0.035 0.000 0.830 599 A CB 0.225 19.241 19.000 0.025 0.000 1.106 599 A HN 0.992 nan 8.150 nan 0.000 0.493 600 L N 1.302 122.530 121.223 0.008 0.000 2.601 600 L HA 0.299 4.638 4.340 -0.000 0.000 0.277 600 L C 1.415 178.302 176.870 0.028 0.000 1.219 600 L CA 1.821 56.663 54.840 0.005 0.000 0.915 600 L CB 0.289 42.341 42.059 -0.011 0.000 1.160 600 L HN 1.301 nan 8.230 nan 0.000 0.494 601 G N 2.524 111.352 108.800 0.047 0.000 2.194 601 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.236 601 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.236 601 G C 0.055 175.000 174.900 0.075 0.000 0.987 601 G CA 0.182 45.316 45.100 0.057 0.000 0.635 601 G HN 0.584 nan 8.290 nan 0.000 0.520 602 Q N 0.432 120.282 119.800 0.082 0.000 2.274 602 Q HA 0.646 4.986 4.340 -0.000 0.000 0.260 602 Q C -0.591 175.477 176.000 0.114 0.000 0.974 602 Q CA -0.821 55.028 55.803 0.077 0.000 0.876 602 Q CB 0.792 29.555 28.738 0.042 0.000 1.297 602 Q HN 0.323 nan 8.270 nan 0.000 0.446 603 N N 1.267 120.008 118.700 0.069 0.000 2.405 603 N HA 0.433 5.173 4.740 -0.000 0.000 0.285 603 N C -1.442 173.846 175.510 -0.371 0.000 1.262 603 N CA -0.449 52.542 53.050 -0.098 0.000 0.773 603 N CB 2.122 40.616 38.487 0.012 0.000 1.490 603 N HN 0.298 nan 8.380 nan 0.000 0.486 604 V N 1.668 120.954 119.914 -1.047 0.000 2.539 604 V HA 0.457 4.577 4.120 -0.000 0.000 0.292 604 V C -0.969 174.860 176.094 -0.442 0.000 1.045 604 V CA -0.154 61.690 62.300 -0.760 0.000 0.945 604 V CB 0.426 31.423 31.823 -1.376 0.000 0.993 604 V HN 0.529 nan 8.190 nan 0.000 0.464 605 Y N 3.136 123.332 120.300 -0.174 0.000 2.609 605 Y HA 0.720 5.270 4.550 -0.000 0.000 0.342 605 Y C -0.403 175.461 175.900 -0.060 0.000 1.058 605 Y CA -1.064 56.945 58.100 -0.151 0.000 1.055 605 Y CB 1.925 40.272 38.460 -0.189 0.000 1.292 605 Y HN 0.532 nan 8.280 nan 0.000 0.476 606 L N 0.966 122.173 121.223 -0.026 0.000 2.346 606 L HA 0.879 5.219 4.340 -0.000 0.000 0.274 606 L C -0.480 176.218 176.870 -0.287 0.000 1.007 606 L CA 0.019 54.668 54.840 -0.318 0.000 0.818 606 L CB 1.980 43.744 42.059 -0.493 0.000 1.284 606 L HN 0.687 nan 8.230 nan 0.000 0.424 607 T N 2.472 116.837 114.554 -0.315 0.000 2.864 607 T HA 0.945 5.295 4.350 -0.000 0.000 0.299 607 T C -0.624 173.839 174.700 -0.395 0.000 1.166 607 T CA 0.043 61.989 62.100 -0.256 0.000 1.007 607 T CB 1.461 70.263 68.868 -0.110 0.000 1.219 607 T HN 1.178 nan 8.240 nan 0.000 0.506 608 G N 0.359 108.728 108.800 -0.717 0.000 2.428 608 G HA2 0.406 4.365 3.960 -0.000 0.000 0.304 608 G HA3 0.406 4.365 3.960 -0.000 0.000 0.304 608 G C 0.343 174.385 174.900 -1.430 0.000 1.303 608 G CA 0.178 44.593 45.100 -1.143 0.000 0.825 608 G HN 1.147 nan 8.290 nan 0.000 0.484 609 S N -1.352 113.806 115.700 -0.904 0.000 2.701 609 S HA 0.337 4.807 4.470 -0.000 0.000 0.220 609 S C 0.768 175.254 174.600 -0.190 0.000 0.954 609 S CA 0.704 58.640 58.200 -0.441 0.000 0.936 609 S CB -0.854 62.400 63.200 0.089 0.000 0.777 609 S HN 1.757 nan 8.310 nan 0.000 0.518 610 V N -1.642 118.150 119.914 -0.204 0.000 3.001 610 V HA 0.654 4.774 4.120 -0.000 0.000 0.314 610 V C 1.242 177.281 176.094 -0.091 0.000 1.099 610 V CA -0.457 61.792 62.300 -0.085 0.000 0.989 610 V CB 1.113 32.916 31.823 -0.034 0.000 1.040 610 V HN 0.209 nan 8.190 nan 0.000 0.434 611 S N 0.376 116.057 115.700 -0.032 0.000 2.387 611 S HA -0.235 4.235 4.470 -0.000 0.000 0.230 611 S C 1.324 175.906 174.600 -0.031 0.000 1.035 611 S CA 1.858 60.046 58.200 -0.019 0.000 1.014 611 S CB -0.672 62.544 63.200 0.026 0.000 0.836 611 S HN 0.904 nan 8.310 nan 0.000 0.466 612 E N 0.551 120.737 120.200 -0.023 0.000 2.333 612 E HA 0.070 4.420 4.350 -0.000 0.000 0.198 612 E C 0.949 177.517 176.600 -0.053 0.000 1.007 612 E CA 0.537 56.926 56.400 -0.017 0.000 0.845 612 E CB -0.147 29.559 29.700 0.011 0.000 0.766 612 E HN 0.362 nan 8.360 nan 0.000 0.507 613 L N -1.351 119.808 121.223 -0.108 0.000 2.857 613 L HA 0.355 4.695 4.340 -0.000 0.000 0.249 613 L C 1.169 177.932 176.870 -0.179 0.000 1.172 613 L CA 0.668 55.401 54.840 -0.180 0.000 0.980 613 L CB 0.392 42.291 42.059 -0.268 0.000 1.299 613 L HN 0.177 nan 8.230 nan 0.000 0.535 614 G N -0.103 108.626 108.800 -0.118 0.000 2.157 614 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.248 614 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.248 614 G C 0.630 175.489 174.900 -0.069 0.000 0.979 614 G CA 0.123 45.175 45.100 -0.079 0.000 0.650 614 G HN 0.263 nan 8.290 nan 0.000 0.529 615 N N -0.941 117.672 118.700 -0.145 0.000 2.705 615 N HA -0.228 4.512 4.740 -0.000 0.000 0.255 615 N C 0.916 176.456 175.510 0.051 0.000 1.008 615 N CA 1.883 54.856 53.050 -0.128 0.000 0.742 615 N CB -1.608 36.880 38.487 0.002 0.000 0.906 615 N HN 1.273 nan 8.380 nan 0.000 0.541 616 W N -3.005 118.359 121.300 0.106 0.000 2.589 616 W HA -0.264 4.396 4.660 -0.000 0.000 0.272 616 W C 0.350 176.997 176.519 0.213 0.000 1.060 616 W CA 0.406 57.873 57.345 0.204 0.000 0.533 616 W CB -1.403 28.171 29.460 0.189 0.000 2.084 616 W HN 0.285 nan 8.180 nan 0.000 1.371 617 D N 0.151 120.702 120.400 0.252 0.000 2.380 617 D HA 0.211 4.851 4.640 -0.000 0.000 0.230 617 D C -1.071 175.270 176.300 0.069 0.000 1.154 617 D CA -2.177 51.924 54.000 0.168 0.000 0.859 617 D CB 1.324 42.178 40.800 0.091 0.000 1.045 617 D HN -0.209 nan 8.370 nan 0.000 0.495 618 P HA -0.134 nan 4.420 nan 0.000 0.217 618 P C 0.969 178.184 177.300 -0.141 0.000 1.148 618 P CA 1.279 64.306 63.100 -0.122 0.000 0.828 618 P CB 0.232 31.858 31.700 -0.122 0.000 0.783 619 A N -0.595 122.186 122.820 -0.066 0.000 2.070 619 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 619 A C 1.757 179.304 177.584 -0.061 0.000 1.159 619 A CA 1.571 53.569 52.037 -0.065 0.000 0.656 619 A CB -0.789 18.196 19.000 -0.025 0.000 0.800 619 A HN 0.212 nan 8.150 nan 0.000 0.453 620 K N -0.573 119.796 120.400 -0.051 0.000 2.455 620 K HA 0.447 4.767 4.320 -0.000 0.000 0.206 620 K C 0.375 176.944 176.600 -0.052 0.000 1.027 620 K CA 0.181 56.445 56.287 -0.039 0.000 1.113 620 K CB 0.681 33.167 32.500 -0.024 0.000 0.850 620 K HN 0.400 nan 8.250 nan 0.000 0.503 621 A N 1.187 123.953 122.820 -0.090 0.000 2.429 621 A HA 0.184 4.504 4.320 -0.000 0.000 0.242 621 A C 0.119 177.718 177.584 0.025 0.000 1.088 621 A CA -0.051 51.938 52.037 -0.079 0.000 0.784 621 A CB 0.176 19.082 19.000 -0.157 0.000 1.038 621 A HN 0.152 nan 8.150 nan 0.000 0.501 622 I N 1.318 121.885 120.570 -0.005 0.000 2.342 622 I HA 0.581 4.751 4.170 -0.000 0.000 0.291 622 I C 0.899 176.925 176.117 -0.151 0.000 1.010 622 I CA 1.074 62.352 61.300 -0.036 0.000 1.308 622 I CB -0.153 37.791 38.000 -0.093 0.000 1.400 622 I HN 0.973 nan 8.210 nan 0.000 0.488 623 G N 8.355 116.959 108.800 -0.326 0.000 2.352 623 G HA2 0.201 4.161 3.960 -0.000 0.000 0.283 623 G HA3 0.201 4.161 3.960 -0.000 0.000 0.283 623 G C -3.232 171.354 174.900 -0.523 0.000 1.308 623 G CA -0.690 43.903 45.100 -0.845 0.000 0.892 623 G HN 0.360 nan 8.290 nan 0.000 0.504 624 P HA 0.410 nan 4.420 nan 0.000 0.274 624 P C 0.156 177.002 177.300 -0.757 0.000 1.231 624 P CA -0.124 62.380 63.100 -0.993 0.000 0.790 624 P CB 0.548 31.959 31.700 -0.481 0.000 0.951 625 M N 1.284 120.526 119.600 -0.598 0.000 2.198 625 M HA 0.180 4.660 4.480 -0.000 0.000 0.315 625 M C 0.116 176.526 176.300 0.183 0.000 1.134 625 M CA 0.128 55.244 55.300 -0.307 0.000 1.171 625 M CB 0.030 32.614 32.600 -0.026 0.000 1.413 625 M HN 0.257 nan 8.290 nan 0.000 0.467 626 Y N 1.307 121.628 120.300 0.036 0.000 2.354 626 Y HA 0.257 4.807 4.550 -0.000 0.000 0.322 626 Y C 0.627 176.400 175.900 -0.212 0.000 1.253 626 Y CA -1.390 56.570 58.100 -0.234 0.000 1.272 626 Y CB 0.492 38.520 38.460 -0.721 0.000 1.255 626 Y HN 0.696 nan 8.280 nan 0.000 0.500 627 N N -1.207 117.468 118.700 -0.042 0.000 2.330 627 N HA 0.095 4.835 4.740 -0.000 0.000 0.249 627 N C -0.380 175.095 175.510 -0.058 0.000 1.413 627 N CA -0.088 52.860 53.050 -0.169 0.000 0.817 627 N CB -0.081 37.839 38.487 -0.945 0.000 1.362 627 N HN 0.634 nan 8.380 nan 0.000 0.499 628 Q N -0.455 119.375 119.800 0.050 0.000 2.644 628 Q HA 0.330 4.670 4.340 -0.000 0.000 0.220 628 Q C 1.251 177.245 176.000 -0.009 0.000 0.866 628 Q CA 0.519 56.313 55.803 -0.015 0.000 0.915 628 Q CB 0.666 29.365 28.738 -0.065 0.000 1.191 628 Q HN 0.084 nan 8.270 nan 0.000 0.641 629 V N 0.395 120.319 119.914 0.017 0.000 2.278 629 V HA -0.149 3.971 4.120 -0.000 0.000 0.231 629 V C 2.087 178.012 176.094 -0.281 0.000 1.048 629 V CA 1.441 63.681 62.300 -0.100 0.000 1.015 629 V CB -0.675 31.099 31.823 -0.081 0.000 0.652 629 V HN 0.133 nan 8.190 nan 0.000 0.466 630 V N -1.613 117.958 119.914 -0.571 0.000 2.427 630 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 630 V C 0.716 176.171 176.094 -1.065 0.000 1.051 630 V CA 1.507 63.240 62.300 -0.944 0.000 1.048 630 V CB -0.750 30.320 31.823 -1.255 0.000 0.666 630 V HN 0.508 nan 8.190 nan 0.000 0.456 631 Y N -1.617 118.341 120.300 -0.570 0.000 2.576 631 Y HA 0.687 5.237 4.550 -0.000 0.000 0.346 631 Y C -0.174 175.685 175.900 -0.069 0.000 1.018 631 Y CA -1.223 56.740 58.100 -0.229 0.000 1.050 631 Y CB 1.632 40.018 38.460 -0.124 0.000 1.280 631 Y HN -0.042 nan 8.280 nan 0.000 0.474 632 Q N 0.567 120.419 119.800 0.088 0.000 2.342 632 Q HA 0.314 4.653 4.340 -0.000 0.000 0.267 632 Q C -1.418 174.574 176.000 -0.014 0.000 1.038 632 Q CA -0.956 54.861 55.803 0.022 0.000 0.832 632 Q CB 1.709 30.444 28.738 -0.005 0.000 1.323 632 Q HN 0.569 nan 8.270 nan 0.000 0.448 633 Y N 4.251 124.425 120.300 -0.210 0.000 2.805 633 Y HA 0.040 4.590 4.550 -0.000 0.000 0.337 633 Y C -1.408 174.430 175.900 -0.102 0.000 1.252 633 Y CA -0.866 57.062 58.100 -0.286 0.000 1.515 633 Y CB 0.719 38.958 38.460 -0.370 0.000 1.305 633 Y HN 0.553 nan 8.280 nan 0.000 0.600 634 P HA 0.094 nan 4.420 nan 0.000 0.249 634 P C -1.175 175.913 177.300 -0.353 0.000 1.544 634 P CA 0.173 62.508 63.100 -1.276 0.000 0.932 634 P CB -0.065 31.029 31.700 -1.010 0.000 1.524 635 N N 0.509 119.095 118.700 -0.190 0.000 2.430 635 N HA 0.292 5.032 4.740 -0.000 0.000 0.292 635 N C -0.773 174.788 175.510 0.085 0.000 1.051 635 N CA -0.029 53.032 53.050 0.019 0.000 0.917 635 N CB 0.748 39.252 38.487 0.027 0.000 1.164 635 N HN 0.033 nan 8.380 nan 0.000 0.484 636 W N 1.585 122.859 121.300 -0.042 0.000 2.799 636 W HA 0.495 5.155 4.660 -0.000 0.000 0.349 636 W C -0.400 176.167 176.519 0.081 0.000 1.100 636 W CA -0.678 56.703 57.345 0.059 0.000 1.174 636 W CB 0.596 30.046 29.460 -0.016 0.000 1.427 636 W HN 0.421 nan 8.180 nan 0.000 0.547 637 Y N -0.349 120.112 120.300 0.268 0.000 2.597 637 Y HA 0.799 5.349 4.550 -0.000 0.000 0.340 637 Y C -2.069 174.039 175.900 0.346 0.000 1.097 637 Y CA -2.575 55.643 58.100 0.197 0.000 1.037 637 Y CB 1.586 40.128 38.460 0.137 0.000 1.305 637 Y HN 0.465 nan 8.280 nan 0.000 0.463 638 Y N 0.926 121.307 120.300 0.135 0.000 2.465 638 Y HA 0.351 4.901 4.550 -0.000 0.000 0.323 638 Y C -1.914 174.118 175.900 0.219 0.000 1.191 638 Y CA -1.472 56.627 58.100 -0.001 0.000 1.082 638 Y CB 1.689 40.078 38.460 -0.118 0.000 1.334 638 Y HN 0.796 nan 8.280 nan 0.000 0.449 639 D N 4.311 124.614 120.400 -0.161 0.000 2.280 639 D HA 0.542 5.182 4.640 -0.000 0.000 0.243 639 D C -0.861 175.477 176.300 0.064 0.000 1.129 639 D CA 0.104 54.154 54.000 0.083 0.000 0.848 639 D CB 1.829 42.733 40.800 0.172 0.000 1.107 639 D HN 0.201 nan 8.370 nan 0.000 0.471 640 V N 1.159 121.223 119.914 0.251 0.000 2.656 640 V HA 0.304 4.424 4.120 -0.000 0.000 0.307 640 V C 0.250 176.488 176.094 0.240 0.000 1.051 640 V CA -0.969 61.480 62.300 0.248 0.000 0.893 640 V CB 2.111 34.081 31.823 0.245 0.000 0.999 640 V HN 0.487 nan 8.190 nan 0.000 0.426 641 S N 3.634 119.435 115.700 0.169 0.000 2.448 641 S HA 0.574 5.044 4.470 -0.000 0.000 0.279 641 S C -0.413 174.262 174.600 0.124 0.000 1.195 641 S CA -0.369 57.906 58.200 0.126 0.000 1.051 641 S CB 0.237 63.476 63.200 0.065 0.000 0.948 641 S HN 1.074 nan 8.310 nan 0.000 0.493 642 V N 3.114 123.116 119.914 0.147 0.000 3.040 642 V HA 0.825 4.945 4.120 -0.000 0.000 0.312 642 V C -2.870 173.277 176.094 0.088 0.000 1.115 642 V CA -2.916 59.469 62.300 0.141 0.000 0.998 642 V CB 1.767 33.746 31.823 0.261 0.000 1.042 642 V HN 0.636 nan 8.190 nan 0.000 0.433 643 P HA 0.269 nan 4.420 nan 0.000 0.271 643 P C 0.055 177.360 177.300 0.009 0.000 1.233 643 P CA 0.462 63.576 63.100 0.024 0.000 0.764 643 P CB 0.729 32.436 31.700 0.012 0.000 0.825 644 A N 3.776 126.603 122.820 0.012 0.000 2.565 644 A HA 0.362 4.682 4.320 -0.000 0.000 0.237 644 A C 1.663 179.235 177.584 -0.020 0.000 1.053 644 A CA 0.755 52.795 52.037 0.004 0.000 0.755 644 A CB -1.316 17.691 19.000 0.012 0.000 0.980 644 A HN 0.866 nan 8.150 nan 0.000 0.506 645 G N 1.330 110.108 108.800 -0.036 0.000 2.186 645 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.266 645 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.266 645 G C 0.321 175.174 174.900 -0.077 0.000 0.982 645 G CA 0.930 46.000 45.100 -0.051 0.000 0.670 645 G HN 0.791 nan 8.290 nan 0.000 0.533 646 K N 0.687 121.026 120.400 -0.102 0.000 2.144 646 K HA 0.443 4.763 4.320 -0.000 0.000 0.270 646 K C 0.104 176.592 176.600 -0.186 0.000 1.005 646 K CA -0.241 55.984 56.287 -0.105 0.000 0.932 646 K CB 1.109 33.570 32.500 -0.066 0.000 1.021 646 K HN 0.079 nan 8.250 nan 0.000 0.462 647 T N 3.421 117.905 114.554 -0.115 0.000 2.729 647 T HA 0.401 4.751 4.350 -0.000 0.000 0.296 647 T C 0.332 175.001 174.700 -0.052 0.000 0.928 647 T CA -0.269 61.765 62.100 -0.110 0.000 1.045 647 T CB -0.013 68.840 68.868 -0.025 0.000 0.902 647 T HN 0.297 nan 8.240 nan 0.000 0.500 648 I N 2.954 123.488 120.570 -0.060 0.000 2.509 648 I HA 0.352 4.522 4.170 -0.000 0.000 0.293 648 I C 0.219 176.572 176.117 0.394 0.000 1.020 648 I CA -0.824 60.553 61.300 0.129 0.000 1.088 648 I CB 2.216 40.294 38.000 0.129 0.000 1.267 648 I HN 0.470 nan 8.210 nan 0.000 0.430 649 E N 5.833 126.256 120.200 0.373 0.000 2.191 649 E HA 0.581 4.931 4.350 -0.000 0.000 0.278 649 E C -1.376 175.524 176.600 0.500 0.000 0.972 649 E CA -0.530 56.156 56.400 0.476 0.000 0.804 649 E CB 2.039 32.006 29.700 0.445 0.000 1.110 649 E HN 0.407 nan 8.360 nan 0.000 0.394 650 F N -0.012 120.132 119.950 0.323 0.000 2.643 650 F HA 0.725 5.252 4.527 -0.000 0.000 0.314 650 F C -0.950 175.030 175.800 0.301 0.000 1.096 650 F CA -1.145 56.934 58.000 0.132 0.000 0.953 650 F CB 1.504 40.478 39.000 -0.042 0.000 1.345 650 F HN 0.160 nan 8.300 nan 0.000 0.468 651 K N 0.543 121.072 120.400 0.216 0.000 2.533 651 K HA 0.663 4.982 4.320 -0.000 0.000 0.272 651 K C -2.105 174.386 176.600 -0.181 0.000 0.985 651 K CA -0.742 55.641 56.287 0.161 0.000 0.876 651 K CB 2.518 35.273 32.500 0.425 0.000 1.452 651 K HN 0.596 nan 8.250 nan 0.000 0.439 652 F N 1.481 121.477 119.950 0.078 0.000 2.507 652 F HA 0.570 5.097 4.527 -0.000 0.000 0.327 652 F C -0.206 175.616 175.800 0.036 0.000 1.068 652 F CA -0.722 57.321 58.000 0.072 0.000 0.965 652 F CB 1.151 40.257 39.000 0.176 0.000 1.192 652 F HN 0.061 nan 8.300 nan 0.000 0.476 653 L N 1.345 122.722 121.223 0.256 0.000 2.354 653 L HA 0.580 4.920 4.340 -0.000 0.000 0.264 653 L C -1.005 175.977 176.870 0.186 0.000 1.008 653 L CA -1.102 53.791 54.840 0.089 0.000 0.819 653 L CB 2.409 44.302 42.059 -0.277 0.000 1.339 653 L HN 0.468 nan 8.230 nan 0.000 0.420 654 K N 2.175 122.641 120.400 0.109 0.000 2.394 654 K HA 0.513 4.833 4.320 -0.000 0.000 0.260 654 K C -1.185 175.397 176.600 -0.030 0.000 0.967 654 K CA -0.641 55.634 56.287 -0.020 0.000 0.855 654 K CB 1.892 34.332 32.500 -0.100 0.000 1.101 654 K HN 0.416 nan 8.250 nan 0.000 0.433 655 K N 2.150 122.545 120.400 -0.008 0.000 2.318 655 K HA 0.297 4.617 4.320 -0.000 0.000 0.249 655 K C -1.067 175.534 176.600 0.002 0.000 0.942 655 K CA -0.865 55.373 56.287 -0.082 0.000 0.808 655 K CB 2.400 34.693 32.500 -0.345 0.000 1.189 655 K HN 0.421 nan 8.250 nan 0.000 0.428 656 Q N 1.189 120.978 119.800 -0.018 0.000 2.269 656 Q HA 0.375 4.715 4.340 -0.000 0.000 0.263 656 Q C 0.016 176.013 176.000 -0.005 0.000 0.983 656 Q CA -0.015 55.796 55.803 0.014 0.000 0.777 656 Q CB 1.514 30.263 28.738 0.019 0.000 1.273 656 Q HN 0.833 nan 8.270 nan 0.000 0.440 657 G N 2.226 111.028 108.800 0.003 0.000 2.574 657 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.286 657 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.286 657 G C 0.508 175.381 174.900 -0.045 0.000 1.212 657 G CA 0.437 45.532 45.100 -0.007 0.000 0.979 657 G HN 1.198 nan 8.290 nan 0.000 0.557 658 S N -0.830 114.846 115.700 -0.040 0.000 2.577 658 S HA 0.413 4.883 4.470 -0.000 0.000 0.219 658 S C 0.807 175.377 174.600 -0.051 0.000 0.962 658 S CA 1.157 59.322 58.200 -0.058 0.000 0.921 658 S CB 0.310 63.489 63.200 -0.035 0.000 0.789 658 S HN 0.901 nan 8.310 nan 0.000 0.497 659 T N 2.722 117.254 114.554 -0.036 0.000 2.832 659 T HA 0.479 4.829 4.350 -0.000 0.000 0.296 659 T C -0.483 174.193 174.700 -0.041 0.000 0.968 659 T CA -0.221 61.869 62.100 -0.017 0.000 1.107 659 T CB 1.397 70.266 68.868 0.002 0.000 0.916 659 T HN 0.269 nan 8.240 nan 0.000 0.517 660 V N 4.034 123.934 119.914 -0.023 0.000 2.656 660 V HA 0.686 4.806 4.120 -0.000 0.000 0.307 660 V C -0.549 175.557 176.094 0.019 0.000 1.051 660 V CA -0.361 61.898 62.300 -0.068 0.000 0.893 660 V CB 2.285 34.000 31.823 -0.180 0.000 0.999 660 V HN 0.907 nan 8.190 nan 0.000 0.426 661 T N 6.797 121.357 114.554 0.010 0.000 2.786 661 T HA 0.491 4.841 4.350 -0.000 0.000 0.283 661 T C -1.014 173.788 174.700 0.171 0.000 0.992 661 T CA 0.027 62.220 62.100 0.155 0.000 0.954 661 T CB 0.786 69.756 68.868 0.170 0.000 0.934 661 T HN 0.719 nan 8.240 nan 0.000 0.440 662 W N 1.893 123.289 121.300 0.159 0.000 2.381 662 W HA 0.404 5.064 4.660 -0.000 0.000 0.329 662 W C 0.904 177.448 176.519 0.041 0.000 1.157 662 W CA -0.825 56.582 57.345 0.102 0.000 1.240 662 W CB 0.482 29.953 29.460 0.018 0.000 1.199 662 W HN 0.602 nan 8.180 nan 0.000 0.579 663 E N 0.893 121.090 120.200 -0.005 0.000 2.415 663 E HA 0.237 4.587 4.350 -0.000 0.000 0.262 663 E C 0.674 177.191 176.600 -0.139 0.000 1.038 663 E CA 0.068 56.137 56.400 -0.551 0.000 0.921 663 E CB 0.638 29.927 29.700 -0.685 0.000 0.950 663 E HN 0.642 nan 8.360 nan 0.000 0.438 664 G N 1.223 109.928 108.800 -0.159 0.000 2.543 664 G HA2 0.534 4.494 3.960 -0.000 0.000 0.290 664 G HA3 0.534 4.494 3.960 -0.000 0.000 0.290 664 G C 0.274 175.090 174.900 -0.141 0.000 1.310 664 G CA 0.019 45.073 45.100 -0.078 0.000 1.025 664 G HN 0.865 nan 8.290 nan 0.000 0.502 665 G N -1.117 107.613 108.800 -0.117 0.000 2.598 665 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.244 665 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.244 665 G C 0.373 175.168 174.900 -0.174 0.000 1.302 665 G CA 0.205 45.221 45.100 -0.139 0.000 0.903 665 G HN 1.312 nan 8.290 nan 0.000 0.575 666 S N 0.707 116.288 115.700 -0.197 0.000 2.632 666 S HA 0.543 5.013 4.470 -0.000 0.000 0.271 666 S C 0.630 175.064 174.600 -0.278 0.000 1.260 666 S CA -0.598 57.481 58.200 -0.202 0.000 1.010 666 S CB 0.736 63.841 63.200 -0.159 0.000 0.965 666 S HN 0.676 nan 8.310 nan 0.000 0.534 667 N N 1.916 120.498 118.700 -0.196 0.000 2.415 667 N HA 0.129 4.869 4.740 -0.000 0.000 0.248 667 N C -0.110 175.242 175.510 -0.264 0.000 1.271 667 N CA 0.223 53.186 53.050 -0.144 0.000 0.913 667 N CB 0.149 38.675 38.487 0.065 0.000 1.129 667 N HN 0.557 nan 8.380 nan 0.000 0.444 668 H N -0.107 118.777 119.070 -0.310 0.000 2.508 668 H HA 0.433 4.989 4.556 -0.000 0.000 0.358 668 H C -0.039 175.161 175.328 -0.214 0.000 1.212 668 H CA 0.175 55.963 56.048 -0.434 0.000 1.356 668 H CB 1.094 30.209 29.762 -1.079 0.000 1.525 668 H HN 0.364 nan 8.280 nan 0.000 0.578 669 T N 1.317 116.011 114.554 0.233 0.000 2.883 669 T HA 0.477 4.827 4.350 -0.000 0.000 0.301 669 T C -1.128 173.978 174.700 0.676 0.000 1.158 669 T CA -0.745 61.627 62.100 0.455 0.000 1.007 669 T CB 1.725 70.747 68.868 0.257 0.000 1.186 669 T HN 0.557 nan 8.240 nan 0.000 0.499 670 F N -1.220 118.940 119.950 0.351 0.000 2.799 670 F HA 0.679 5.206 4.527 -0.000 0.000 0.316 670 F C -1.842 174.049 175.800 0.151 0.000 1.155 670 F CA -0.787 57.351 58.000 0.231 0.000 0.916 670 F CB 0.844 39.974 39.000 0.216 0.000 1.294 670 F HN 0.459 nan 8.300 nan 0.000 0.447 671 T N 2.751 117.100 114.554 -0.342 0.000 2.786 671 T HA 0.773 5.123 4.350 -0.000 0.000 0.283 671 T C -0.086 174.277 174.700 -0.561 0.000 0.992 671 T CA -0.088 61.739 62.100 -0.455 0.000 0.954 671 T CB 1.180 69.963 68.868 -0.142 0.000 0.934 671 T HN 0.964 nan 8.240 nan 0.000 0.440 672 A N 5.887 128.289 122.820 -0.696 0.000 2.425 672 A HA 0.551 4.871 4.320 -0.000 0.000 0.242 672 A C -2.006 175.536 177.584 -0.071 0.000 1.077 672 A CA -1.060 50.803 52.037 -0.289 0.000 0.781 672 A CB -0.287 18.609 19.000 -0.173 0.000 1.020 672 A HN 0.528 nan 8.150 nan 0.000 0.494 673 P HA 0.086 nan 4.420 nan 0.000 0.272 673 P C 0.664 177.978 177.300 0.023 0.000 1.230 673 P CA 0.232 63.354 63.100 0.037 0.000 0.788 673 P CB 0.920 32.661 31.700 0.069 0.000 0.949 674 S N -0.283 115.429 115.700 0.020 0.000 2.470 674 S HA 0.077 4.547 4.470 -0.000 0.000 0.225 674 S C 0.776 175.392 174.600 0.026 0.000 1.006 674 S CA 0.572 58.781 58.200 0.015 0.000 0.934 674 S CB -0.524 62.683 63.200 0.011 0.000 0.778 674 S HN 0.779 nan 8.310 nan 0.000 0.517 675 S N -1.220 114.503 115.700 0.039 0.000 2.595 675 S HA 0.627 5.097 4.470 -0.000 0.000 0.270 675 S C 0.086 174.727 174.600 0.067 0.000 1.145 675 S CA -0.126 58.103 58.200 0.049 0.000 0.825 675 S CB 0.798 64.020 63.200 0.038 0.000 1.107 675 S HN 1.838 nan 8.310 nan 0.000 0.461 676 G N 1.132 109.985 108.800 0.088 0.000 2.693 676 G HA2 0.197 4.157 3.960 -0.000 0.000 0.226 676 G HA3 0.197 4.157 3.960 -0.000 0.000 0.226 676 G C 0.010 174.984 174.900 0.123 0.000 1.354 676 G CA 0.449 45.613 45.100 0.106 0.000 0.873 676 G HN 2.323 nan 8.290 nan 0.000 0.562 677 T N -2.289 112.337 114.554 0.119 0.000 2.919 677 T HA 1.046 5.396 4.350 -0.000 0.000 0.282 677 T C 0.212 174.967 174.700 0.093 0.000 1.020 677 T CA 0.545 62.721 62.100 0.128 0.000 0.994 677 T CB 1.843 70.798 68.868 0.145 0.000 1.180 677 T HN 2.632 nan 8.240 nan 0.000 0.566 678 A N -0.106 122.762 122.820 0.079 0.000 2.599 678 A HA 0.760 5.080 4.320 -0.000 0.000 0.290 678 A C -0.834 176.739 177.584 -0.018 0.000 1.101 678 A CA -0.931 51.132 52.037 0.042 0.000 0.674 678 A CB 1.332 20.376 19.000 0.072 0.000 1.277 678 A HN 0.913 nan 8.150 nan 0.000 0.419 679 T N 1.063 115.586 114.554 -0.052 0.000 2.928 679 T HA 0.589 4.939 4.350 -0.000 0.000 0.296 679 T C -0.919 173.682 174.700 -0.164 0.000 1.000 679 T CA -0.001 62.038 62.100 -0.102 0.000 0.989 679 T CB 0.588 69.453 68.868 -0.004 0.000 1.005 679 T HN 0.497 nan 8.240 nan 0.000 0.442 680 I N 3.406 123.777 120.570 -0.331 0.000 2.404 680 I HA 0.496 4.666 4.170 -0.000 0.000 0.293 680 I C -0.088 175.945 176.117 -0.140 0.000 0.992 680 I CA -0.802 60.319 61.300 -0.297 0.000 1.149 680 I CB 1.468 39.046 38.000 -0.702 0.000 1.315 680 I HN 0.365 nan 8.210 nan 0.000 0.446 681 N N 5.895 124.574 118.700 -0.035 0.000 2.448 681 N HA 0.601 5.341 4.740 -0.000 0.000 0.279 681 N C -1.176 174.351 175.510 0.028 0.000 1.025 681 N CA -0.224 52.813 53.050 -0.023 0.000 0.898 681 N CB 2.271 40.743 38.487 -0.024 0.000 1.303 681 N HN 0.506 nan 8.380 nan 0.000 0.495 682 V N 0.926 120.850 119.914 0.016 0.000 3.141 682 V HA 0.702 4.822 4.120 -0.000 0.000 0.312 682 V C -0.477 175.616 176.094 -0.002 0.000 1.157 682 V CA -1.012 61.302 62.300 0.023 0.000 1.041 682 V CB 2.142 33.910 31.823 -0.091 0.000 1.071 682 V HN 0.434 nan 8.190 nan 0.000 0.441 683 N N 1.469 120.217 118.700 0.080 0.000 2.456 683 N HA 0.255 4.994 4.740 -0.000 0.000 0.296 683 N C -0.796 174.815 175.510 0.169 0.000 1.102 683 N CA -0.313 52.801 53.050 0.107 0.000 0.924 683 N CB 1.854 40.414 38.487 0.121 0.000 1.186 683 N HN 1.019 nan 8.380 nan 0.000 0.492 684 W N 2.501 123.806 121.300 0.010 0.000 2.322 684 W HA 0.043 4.703 4.660 -0.000 0.000 0.328 684 W C -0.756 175.830 176.519 0.111 0.000 1.395 684 W CA 0.073 57.453 57.345 0.057 0.000 1.267 684 W CB 0.206 29.662 29.460 -0.007 0.000 1.259 684 W HN 0.425 nan 8.180 nan 0.000 0.560 685 Q N 8.614 128.160 119.800 -0.423 0.000 2.331 685 Q HA 0.237 4.577 4.340 -0.000 0.000 0.257 685 Q C -1.744 174.084 176.000 -0.286 0.000 0.957 685 Q CA -1.694 53.966 55.803 -0.237 0.000 0.923 685 Q CB 1.544 30.154 28.738 -0.213 0.000 1.212 685 Q HN 0.247 nan 8.270 nan 0.000 0.443 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.246 63.100 0.243 0.000 0.800 686 P CB 0.000 31.851 31.700 0.252 0.000 0.726