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 2jj9_1_A DATA FIRST_RESID 2 DATA SEQUENCE NPIHDRTSDY HKYLKVKQGD SDLFKLTVSD KRYIWYNPDP KERDSYECGE DATA SEQUENCE IVSETSDSFT FKTVDGQDRQ VKKDDANQRN PIKFDGVEDM SELSYLNEPA DATA SEQUENCE VFHNLRVRYN QDLIYTYSGL FLVAVNPFKR IPIYTQEMVD IFKGRRRNEV DATA SEQUENCE APHIFAISDV AYRSMLDDRQ NQSLLITGES GAGKTENTKK VIQYLASVAG DATA SEQUENCE RNQANGSGVL EQQILQANPI LEAFGNAKTT RNNNSSRFGK FIEIQFNSAG DATA SEQUENCE FISGASIQSY LLEKSRVVFQ SETERNYHIF YQLLAGATAE EKKALHLAGP DATA SEQUENCE ESFNYLNQSG CVDIKGVSDS EEFKITRQAM DIVGFSQEEQ MSIFKIIAGI DATA SEQUENCE LHLGNIKFEK GAGEGAVLKD KTALNAASTV FGVNPSVLEK ALMEPRILAG DATA SEQUENCE RDLVAQHLNV EKSSSSRDAL VKALYGRLFL WLVKKINNVL CQERKAYFIG DATA SEQUENCE VLDISGFEIF KVNSFEQLCI NYTNEKLQQF FNHHMFKLEQ EEYLKEKINW DATA SEQUENCE TFIDFGLDSQ ATIDLIDGRQ PPGILALLDE QSVFPNATDN TLITKLHSHF DATA SEQUENCE SKKNAKYEEP RFSKTEFGVT HYAGQVMYEI QDWLEKNKDP LQQDLELCFK DATA SEQUENCE DSSDNVVTKL FNDPNIASRA KKGANFITVA AQYKEQLASL MATLETTNPH DATA SEQUENCE FVRCIIPNNK QLPAKLEDKV VLDQLRCNGV LEGIRITRKG FP 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.510 175.510 0.000 0.000 1.280 2 N CA 0.000 53.063 53.050 0.022 0.000 0.885 2 N CB 0.000 38.560 38.487 0.123 0.000 1.341 3 P HA -0.047 nan 4.420 nan 0.000 0.217 3 P C 1.577 178.816 177.300 -0.102 0.000 1.148 3 P CA 0.635 63.711 63.100 -0.039 0.000 0.828 3 P CB 0.467 32.139 31.700 -0.045 0.000 0.783 4 I N -1.225 119.125 120.570 -0.365 0.000 2.145 4 I HA -0.257 3.913 4.170 -0.000 0.000 0.244 4 I C 1.868 177.863 176.117 -0.204 0.000 1.075 4 I CA 1.898 62.818 61.300 -0.633 0.000 1.332 4 I CB -1.191 36.377 38.000 -0.719 0.000 1.033 4 I HN 0.122 nan 8.210 nan 0.000 0.410 5 H N -1.795 117.285 119.070 0.018 0.000 2.551 5 H HA 0.127 4.682 4.556 -0.000 0.000 0.271 5 H C 0.180 175.495 175.328 -0.022 0.000 0.984 5 H CA -0.068 56.015 56.048 0.059 0.000 1.164 5 H CB 0.027 29.791 29.762 0.004 0.000 1.437 5 H HN 0.131 nan 8.280 nan 0.000 0.550 6 D N 0.607 121.044 120.400 0.060 0.000 2.380 6 D HA 0.050 4.690 4.640 -0.000 0.000 0.230 6 D C 0.787 176.980 176.300 -0.178 0.000 1.154 6 D CA -0.302 53.678 54.000 -0.034 0.000 0.859 6 D CB 0.558 41.362 40.800 0.007 0.000 1.045 6 D HN 0.138 nan 8.370 nan 0.000 0.495 7 R N 1.984 122.254 120.500 -0.383 0.000 2.293 7 R HA -0.085 4.254 4.340 -0.000 0.000 0.219 7 R C 1.343 177.517 176.300 -0.211 0.000 1.091 7 R CA 0.825 56.569 56.100 -0.594 0.000 1.004 7 R CB -0.017 30.043 30.300 -0.400 0.000 0.865 7 R HN 0.347 nan 8.270 nan 0.000 0.469 8 T N 0.411 114.904 114.554 -0.102 0.000 3.081 8 T HA 0.021 4.371 4.350 -0.000 0.000 0.250 8 T C 0.631 175.338 174.700 0.011 0.000 1.100 8 T CA 0.029 62.106 62.100 -0.039 0.000 1.038 8 T CB 0.083 68.932 68.868 -0.031 0.000 0.962 8 T HN 0.325 nan 8.240 nan 0.000 0.516 9 S N 0.785 116.521 115.700 0.060 0.000 2.608 9 S HA 0.142 4.611 4.470 -0.000 0.000 0.261 9 S C 0.823 175.502 174.600 0.132 0.000 1.314 9 S CA -0.629 57.639 58.200 0.114 0.000 0.992 9 S CB 0.615 63.913 63.200 0.163 0.000 0.935 9 S HN 0.184 nan 8.310 nan 0.000 0.564 10 D N -0.015 120.482 120.400 0.161 0.000 2.178 10 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 10 D C 1.460 177.913 176.300 0.255 0.000 0.980 10 D CA 1.364 55.496 54.000 0.220 0.000 0.842 10 D CB -0.456 40.537 40.800 0.321 0.000 0.948 10 D HN 0.763 nan 8.370 nan 0.000 0.472 11 Y N 1.317 121.694 120.300 0.129 0.000 2.081 11 Y HA -0.299 4.251 4.550 -0.000 0.000 0.280 11 Y C 2.492 178.412 175.900 0.033 0.000 1.163 11 Y CA 1.911 60.061 58.100 0.084 0.000 1.135 11 Y CB -0.282 38.188 38.460 0.016 0.000 0.970 11 Y HN 0.128 nan 8.280 nan 0.000 0.498 12 H N -0.029 119.098 119.070 0.094 0.000 2.389 12 H HA -0.141 4.414 4.556 -0.000 0.000 0.299 12 H C 2.273 177.512 175.328 -0.148 0.000 1.081 12 H CA 1.816 57.838 56.048 -0.044 0.000 1.345 12 H CB 0.009 29.804 29.762 0.055 0.000 1.393 12 H HN 0.367 nan 8.280 nan 0.000 0.520 13 K N 0.114 120.476 120.400 -0.064 0.000 2.057 13 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 13 K C 1.170 177.500 176.600 -0.450 0.000 1.049 13 K CA 1.498 57.591 56.287 -0.324 0.000 0.931 13 K CB 0.115 32.303 32.500 -0.519 0.000 0.714 13 K HN 0.181 nan 8.250 nan 0.000 0.440 14 Y N -0.741 119.515 120.300 -0.074 0.000 2.462 14 Y HA 0.219 4.769 4.550 -0.000 0.000 0.253 14 Y C 1.262 177.061 175.900 -0.169 0.000 1.095 14 Y CA 0.081 58.117 58.100 -0.107 0.000 1.283 14 Y CB 0.696 39.109 38.460 -0.077 0.000 1.138 14 Y HN -0.056 nan 8.280 nan 0.000 0.522 15 L N -0.667 120.467 121.223 -0.148 0.000 2.858 15 L HA 0.229 4.568 4.340 -0.000 0.000 0.251 15 L C -0.013 176.646 176.870 -0.352 0.000 1.149 15 L CA 0.146 54.827 54.840 -0.266 0.000 0.955 15 L CB 0.391 42.197 42.059 -0.421 0.000 1.289 15 L HN -0.213 nan 8.230 nan 0.000 0.542 16 K N 0.556 120.758 120.400 -0.330 0.000 2.281 16 K HA 0.472 4.792 4.320 -0.000 0.000 0.242 16 K C -0.541 175.979 176.600 -0.133 0.000 0.971 16 K CA -0.771 55.353 56.287 -0.272 0.000 0.834 16 K CB 3.009 35.272 32.500 -0.395 0.000 1.181 16 K HN -0.348 nan 8.250 nan 0.000 0.435 17 V N 2.358 122.221 119.914 -0.085 0.000 2.637 17 V HA 0.038 4.158 4.120 -0.000 0.000 0.296 17 V C 0.624 176.707 176.094 -0.018 0.000 1.046 17 V CA -0.129 62.143 62.300 -0.047 0.000 1.066 17 V CB 0.265 32.072 31.823 -0.027 0.000 0.968 17 V HN 0.518 nan 8.190 nan 0.000 0.483 18 K N 3.047 123.433 120.400 -0.023 0.000 2.401 18 K HA 0.154 4.474 4.320 -0.000 0.000 0.278 18 K C 0.164 176.769 176.600 0.008 0.000 1.018 18 K CA -0.214 56.067 56.287 -0.010 0.000 0.981 18 K CB 0.344 32.828 32.500 -0.026 0.000 0.933 18 K HN 0.636 nan 8.250 nan 0.000 0.477 19 Q N 1.583 121.394 119.800 0.017 0.000 2.283 19 Q HA -0.002 4.337 4.340 -0.000 0.000 0.301 19 Q C -0.054 175.958 176.000 0.021 0.000 1.063 19 Q CA 0.609 56.426 55.803 0.023 0.000 0.952 19 Q CB 0.530 29.276 28.738 0.015 0.000 1.166 19 Q HN 0.678 nan 8.270 nan 0.000 0.381 20 G N 3.387 112.208 108.800 0.034 0.000 2.537 20 G HA2 0.367 4.327 3.960 -0.000 0.000 0.273 20 G HA3 0.367 4.327 3.960 -0.000 0.000 0.273 20 G C -0.743 174.185 174.900 0.047 0.000 1.189 20 G CA -0.197 44.928 45.100 0.042 0.000 0.881 20 G HN 0.870 nan 8.290 nan 0.000 0.535 21 D N -2.194 118.235 120.400 0.049 0.000 2.487 21 D HA 0.286 4.926 4.640 -0.000 0.000 0.262 21 D C 1.675 178.020 176.300 0.074 0.000 1.130 21 D CA 0.056 54.082 54.000 0.042 0.000 1.038 21 D CB 0.738 41.554 40.800 0.027 0.000 1.142 21 D HN 0.330 nan 8.370 nan 0.000 0.575 22 S N -0.803 114.926 115.700 0.048 0.000 2.419 22 S HA -0.222 4.248 4.470 -0.000 0.000 0.235 22 S C 1.005 175.678 174.600 0.121 0.000 1.019 22 S CA 1.206 59.445 58.200 0.065 0.000 0.982 22 S CB -0.499 62.709 63.200 0.014 0.000 0.789 22 S HN 0.518 nan 8.310 nan 0.000 0.490 23 D N 0.935 121.385 120.400 0.084 0.000 2.194 23 D HA 0.059 4.699 4.640 -0.000 0.000 0.204 23 D C 1.835 178.182 176.300 0.079 0.000 0.964 23 D CA 0.582 54.627 54.000 0.076 0.000 0.846 23 D CB -0.202 40.626 40.800 0.047 0.000 0.962 23 D HN 0.345 nan 8.370 nan 0.000 0.490 24 L N 0.415 121.688 121.223 0.084 0.000 2.109 24 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 24 L C 2.025 178.948 176.870 0.088 0.000 1.086 24 L CA 1.069 55.950 54.840 0.069 0.000 0.760 24 L CB -0.735 41.360 42.059 0.060 0.000 0.910 24 L HN -0.095 nan 8.230 nan 0.000 0.437 25 F N 0.352 120.302 119.950 -0.000 0.000 2.126 25 F HA -0.276 4.251 4.527 -0.000 0.000 0.299 25 F C 2.304 178.105 175.800 0.002 0.000 1.096 25 F CA 1.890 59.889 58.000 -0.002 0.000 1.255 25 F CB -0.067 38.931 39.000 -0.003 0.000 0.997 25 F HN 0.018 nan 8.300 nan 0.000 0.479 26 K N 0.138 120.596 120.400 0.096 0.000 2.103 26 K HA -0.082 4.238 4.320 -0.000 0.000 0.204 26 K C 2.057 178.618 176.600 -0.065 0.000 1.052 26 K CA 1.374 57.666 56.287 0.008 0.000 0.945 26 K CB -0.220 32.333 32.500 0.089 0.000 0.722 26 K HN 0.340 nan 8.250 nan 0.000 0.443 27 L N 0.425 121.626 121.223 -0.035 0.000 2.093 27 L HA -0.152 4.187 4.340 -0.000 0.000 0.208 27 L C 2.129 178.956 176.870 -0.073 0.000 1.085 27 L CA 1.202 56.022 54.840 -0.034 0.000 0.755 27 L CB -0.563 41.485 42.059 -0.019 0.000 0.904 27 L HN 0.219 nan 8.230 nan 0.000 0.435 28 T N -0.577 113.901 114.554 -0.127 0.000 2.881 28 T HA -0.114 4.236 4.350 -0.000 0.000 0.270 28 T C 1.610 176.165 174.700 -0.243 0.000 1.068 28 T CA 1.473 63.472 62.100 -0.169 0.000 1.131 28 T CB -0.165 68.592 68.868 -0.186 0.000 0.871 28 T HN 0.361 nan 8.240 nan 0.000 0.479 29 V N -0.745 118.961 119.914 -0.346 0.000 3.647 29 V HA 0.347 4.467 4.120 -0.000 0.000 0.279 29 V C 0.974 176.974 176.094 -0.156 0.000 1.314 29 V CA -0.537 61.574 62.300 -0.315 0.000 1.125 29 V CB -0.419 31.121 31.823 -0.472 0.000 0.907 29 V HN 0.271 nan 8.190 nan 0.000 0.434 30 S N 0.860 116.500 115.700 -0.101 0.000 2.569 30 S HA 0.023 4.493 4.470 -0.000 0.000 0.274 30 S C 0.779 175.361 174.600 -0.030 0.000 1.353 30 S CA 0.468 58.644 58.200 -0.039 0.000 1.023 30 S CB 0.538 63.747 63.200 0.014 0.000 0.876 30 S HN 0.622 nan 8.310 nan 0.000 0.540 31 D N 1.524 121.906 120.400 -0.031 0.000 2.369 31 D HA 0.135 4.775 4.640 -0.000 0.000 0.211 31 D C 0.067 176.325 176.300 -0.070 0.000 1.077 31 D CA 0.148 54.124 54.000 -0.040 0.000 0.842 31 D CB 0.324 41.102 40.800 -0.036 0.000 0.947 31 D HN 0.508 nan 8.370 nan 0.000 0.509 32 K N 1.016 121.362 120.400 -0.089 0.000 2.276 32 K HA 0.260 4.580 4.320 -0.000 0.000 0.259 32 K C 0.383 176.769 176.600 -0.357 0.000 1.001 32 K CA 0.223 56.365 56.287 -0.241 0.000 0.927 32 K CB 1.059 33.395 32.500 -0.275 0.000 0.969 32 K HN -0.178 nan 8.250 nan 0.000 0.490 33 R N 1.513 121.671 120.500 -0.569 0.000 2.621 33 R HA 0.352 4.692 4.340 -0.000 0.000 0.292 33 R C -1.148 174.682 176.300 -0.783 0.000 0.969 33 R CA -0.702 55.096 56.100 -0.504 0.000 0.887 33 R CB 1.145 31.242 30.300 -0.339 0.000 1.180 33 R HN 0.487 nan 8.270 nan 0.000 0.450 34 Y N 1.371 121.505 120.300 -0.277 0.000 2.598 34 Y HA 0.618 5.168 4.550 -0.001 0.000 0.340 34 Y C -0.131 175.477 175.900 -0.487 0.000 1.038 34 Y CA -1.029 56.853 58.100 -0.363 0.000 1.100 34 Y CB 1.929 40.151 38.460 -0.397 0.000 1.281 34 Y HN 0.373 nan 8.280 nan 0.000 0.488 35 I N 0.478 120.829 120.570 -0.366 0.000 2.686 35 I HA 0.363 4.533 4.170 -0.000 0.000 0.295 35 I C -1.760 174.127 176.117 -0.383 0.000 1.114 35 I CA -0.866 60.163 61.300 -0.452 0.000 1.038 35 I CB 1.573 39.233 38.000 -0.566 0.000 1.238 35 I HN 0.644 nan 8.210 nan 0.000 0.420 36 W N 7.579 128.806 121.300 -0.122 0.000 2.322 36 W HA 0.407 5.067 4.660 -0.001 0.000 0.307 36 W C -0.725 175.856 176.519 0.104 0.000 1.220 36 W CA -0.196 57.119 57.345 -0.051 0.000 1.210 36 W CB 0.706 30.033 29.460 -0.223 0.000 1.223 36 W HN 0.372 nan 8.180 nan 0.000 0.511 37 Y N -0.040 120.451 120.300 0.319 0.000 2.638 37 Y HA 0.535 5.085 4.550 -0.000 0.000 0.339 37 Y C -1.116 174.963 175.900 0.298 0.000 1.084 37 Y CA -2.426 55.827 58.100 0.255 0.000 1.068 37 Y CB 0.960 39.464 38.460 0.073 0.000 1.294 37 Y HN 0.389 nan 8.280 nan 0.000 0.480 38 N N 3.135 121.912 118.700 0.128 0.000 2.485 38 N HA 0.311 5.051 4.740 -0.000 0.000 0.243 38 N C -2.343 173.217 175.510 0.084 0.000 0.987 38 N CA -1.603 51.385 53.050 -0.103 0.000 0.940 38 N CB 1.413 39.822 38.487 -0.131 0.000 1.122 38 N HN 0.476 nan 8.380 nan 0.000 0.509 39 P HA -0.176 nan 4.420 nan 0.000 0.216 39 P C -0.197 177.167 177.300 0.106 0.000 1.150 39 P CA 1.452 64.648 63.100 0.161 0.000 0.843 39 P CB 0.226 31.959 31.700 0.055 0.000 0.787 40 D N -2.109 118.301 120.400 0.017 0.000 2.453 40 D HA 0.168 4.808 4.640 -0.000 0.000 0.238 40 D C -1.976 174.313 176.300 -0.019 0.000 1.088 40 D CA -2.653 51.349 54.000 0.004 0.000 0.854 40 D CB 0.895 41.684 40.800 -0.018 0.000 1.076 40 D HN -0.123 nan 8.370 nan 0.000 0.533 41 P HA -0.133 nan 4.420 nan 0.000 0.219 41 P C 1.092 178.378 177.300 -0.023 0.000 1.146 41 P CA 1.009 64.112 63.100 0.005 0.000 0.808 41 P CB 0.349 32.066 31.700 0.030 0.000 0.779 42 K N -0.190 120.195 120.400 -0.025 0.000 2.057 42 K HA -0.088 4.232 4.320 -0.000 0.000 0.207 42 K C 0.538 177.101 176.600 -0.061 0.000 1.049 42 K CA 0.959 57.225 56.287 -0.034 0.000 0.931 42 K CB -0.249 32.235 32.500 -0.027 0.000 0.714 42 K HN 0.258 nan 8.250 nan 0.000 0.440 43 E N 1.583 121.734 120.200 -0.082 0.000 2.127 43 E HA 0.073 4.423 4.350 -0.000 0.000 0.262 43 E C 0.490 176.969 176.600 -0.201 0.000 1.144 43 E CA -0.045 56.282 56.400 -0.123 0.000 1.144 43 E CB 0.390 30.021 29.700 -0.114 0.000 1.297 43 E HN 0.157 nan 8.360 nan 0.000 0.469 44 R N 0.438 120.828 120.500 -0.183 0.000 2.303 44 R HA -0.107 4.233 4.340 -0.000 0.000 0.225 44 R C 0.406 176.453 176.300 -0.421 0.000 1.114 44 R CA 0.842 56.792 56.100 -0.250 0.000 1.007 44 R CB 0.267 30.495 30.300 -0.120 0.000 0.861 44 R HN 0.174 nan 8.270 nan 0.000 0.471 45 D N -0.547 119.646 120.400 -0.344 0.000 2.369 45 D HA 0.067 4.707 4.640 -0.000 0.000 0.211 45 D C -0.347 175.715 176.300 -0.397 0.000 1.077 45 D CA 0.406 54.205 54.000 -0.335 0.000 0.842 45 D CB 0.629 41.303 40.800 -0.209 0.000 0.947 45 D HN -0.073 nan 8.370 nan 0.000 0.509 46 S N 0.749 116.193 115.700 -0.426 0.000 2.410 46 S HA 0.364 4.834 4.470 -0.000 0.000 0.304 46 S C -0.516 173.861 174.600 -0.371 0.000 1.095 46 S CA -0.497 57.536 58.200 -0.277 0.000 1.089 46 S CB 0.476 63.575 63.200 -0.168 0.000 0.968 46 S HN 0.046 nan 8.310 nan 0.000 0.480 47 Y N 1.195 121.434 120.300 -0.102 0.000 2.509 47 Y HA 0.576 5.126 4.550 -0.000 0.000 0.341 47 Y C 0.678 176.526 175.900 -0.086 0.000 1.038 47 Y CA -0.891 57.145 58.100 -0.107 0.000 1.089 47 Y CB 1.209 39.633 38.460 -0.060 0.000 1.241 47 Y HN 0.429 nan 8.280 nan 0.000 0.468 48 E N 0.368 120.515 120.200 -0.088 0.000 2.336 48 E HA 0.300 4.650 4.350 -0.000 0.000 0.267 48 E C -1.297 175.370 176.600 0.111 0.000 0.906 48 E CA -0.783 55.583 56.400 -0.057 0.000 0.781 48 E CB 2.647 32.199 29.700 -0.245 0.000 1.261 48 E HN 0.668 nan 8.360 nan 0.000 0.436 49 C N 1.266 120.678 119.300 0.187 0.000 2.388 49 C HA 0.825 5.285 4.460 -0.000 0.000 0.362 49 C C 0.469 175.606 174.990 0.246 0.000 1.266 49 C CA 0.091 59.101 59.018 -0.014 0.000 2.028 49 C CB -0.731 26.798 27.740 -0.351 0.000 2.440 49 C HN 0.666 nan 8.230 nan 0.000 0.547 50 G N 3.825 112.760 108.800 0.225 0.000 2.563 50 G HA2 0.515 4.474 3.960 -0.000 0.000 0.302 50 G HA3 0.515 4.474 3.960 -0.000 0.000 0.302 50 G C -1.618 173.387 174.900 0.175 0.000 1.301 50 G CA -0.256 44.997 45.100 0.254 0.000 0.965 50 G HN 0.880 nan 8.290 nan 0.000 0.480 51 E N 0.854 121.152 120.200 0.163 0.000 2.227 51 E HA 0.290 4.640 4.350 -0.000 0.000 0.282 51 E C -0.011 176.524 176.600 -0.108 0.000 1.015 51 E CA -0.532 55.812 56.400 -0.093 0.000 0.823 51 E CB 0.932 30.564 29.700 -0.114 0.000 1.081 51 E HN 0.306 nan 8.360 nan 0.000 0.396 52 I N 5.727 126.129 120.570 -0.281 0.000 2.505 52 I HA -0.043 4.127 4.170 -0.000 0.000 0.287 52 I C 1.329 177.360 176.117 -0.143 0.000 1.104 52 I CA -0.170 61.011 61.300 -0.198 0.000 1.387 52 I CB 0.718 38.472 38.000 -0.410 0.000 1.404 52 I HN 0.509 nan 8.210 nan 0.000 0.528 53 V N 2.271 122.156 119.914 -0.049 0.000 3.125 53 V HA 0.179 4.299 4.120 -0.000 0.000 0.249 53 V C 0.711 176.792 176.094 -0.021 0.000 1.113 53 V CA 0.633 62.904 62.300 -0.048 0.000 1.106 53 V CB -0.194 31.606 31.823 -0.038 0.000 0.768 53 V HN 0.787 nan 8.190 nan 0.000 0.468 54 S N 0.124 115.836 115.700 0.019 0.000 2.611 54 S HA 0.678 5.148 4.470 -0.000 0.000 0.268 54 S C -1.255 173.416 174.600 0.118 0.000 1.156 54 S CA -0.202 58.024 58.200 0.043 0.000 0.817 54 S CB 2.296 65.508 63.200 0.021 0.000 1.122 54 S HN 0.863 nan 8.310 nan 0.000 0.466 55 E N -0.142 120.123 120.200 0.108 0.000 2.352 55 E HA 0.611 4.961 4.350 -0.000 0.000 0.280 55 E C -0.700 175.928 176.600 0.046 0.000 0.930 55 E CA -0.908 55.577 56.400 0.141 0.000 0.765 55 E CB 1.779 31.632 29.700 0.254 0.000 1.219 55 E HN 0.858 nan 8.360 nan 0.000 0.434 56 T N -0.877 113.676 114.554 -0.002 0.000 2.889 56 T HA 0.296 4.645 4.350 -0.000 0.000 0.278 56 T C 1.332 175.995 174.700 -0.063 0.000 0.995 56 T CA 0.057 62.141 62.100 -0.028 0.000 0.966 56 T CB 1.034 69.882 68.868 -0.033 0.000 1.237 56 T HN 0.596 nan 8.240 nan 0.000 0.591 57 S N 0.212 115.879 115.700 -0.056 0.000 2.399 57 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 57 S C 1.090 175.626 174.600 -0.107 0.000 1.022 57 S CA 1.335 59.495 58.200 -0.066 0.000 0.983 57 S CB -0.711 62.462 63.200 -0.044 0.000 0.803 57 S HN 0.924 nan 8.310 nan 0.000 0.480 58 D N -0.148 120.182 120.400 -0.117 0.000 2.503 58 D HA 0.298 4.938 4.640 -0.000 0.000 0.218 58 D C -0.129 176.052 176.300 -0.198 0.000 1.183 58 D CA -0.281 53.634 54.000 -0.142 0.000 0.827 58 D CB 0.196 40.943 40.800 -0.088 0.000 1.034 58 D HN 0.328 nan 8.370 nan 0.000 0.510 59 S N -0.680 114.881 115.700 -0.231 0.000 2.607 59 S HA 0.643 5.112 4.470 -0.000 0.000 0.273 59 S C -1.325 173.120 174.600 -0.258 0.000 1.148 59 S CA -0.850 57.210 58.200 -0.233 0.000 0.833 59 S CB 1.223 64.379 63.200 -0.073 0.000 1.130 59 S HN 0.003 nan 8.310 nan 0.000 0.470 60 F N 1.213 121.185 119.950 0.037 0.000 2.480 60 F HA 0.623 5.150 4.527 -0.001 0.000 0.329 60 F C 0.628 176.484 175.800 0.094 0.000 1.091 60 F CA -0.717 57.317 58.000 0.056 0.000 0.972 60 F CB 1.843 40.882 39.000 0.066 0.000 1.150 60 F HN 0.364 nan 8.300 nan 0.000 0.467 61 T N 4.878 119.595 114.554 0.271 0.000 2.792 61 T HA 0.632 4.982 4.350 -0.000 0.000 0.280 61 T C -0.942 173.828 174.700 0.117 0.000 0.990 61 T CA -0.363 61.798 62.100 0.102 0.000 0.960 61 T CB 0.416 69.289 68.868 0.008 0.000 0.939 61 T HN 0.362 nan 8.240 nan 0.000 0.439 62 F N 0.460 120.371 119.950 -0.064 0.000 2.620 62 F HA 0.865 5.392 4.527 0.000 0.000 0.320 62 F C -0.508 175.206 175.800 -0.144 0.000 1.069 62 F CA -1.706 56.220 58.000 -0.123 0.000 0.953 62 F CB 1.439 40.346 39.000 -0.155 0.000 1.322 62 F HN 0.276 nan 8.300 nan 0.000 0.479 63 K N 1.372 121.789 120.400 0.027 0.000 2.185 63 K HA 0.480 4.800 4.320 -0.000 0.000 0.269 63 K C -0.108 176.494 176.600 0.003 0.000 0.987 63 K CA -0.364 55.886 56.287 -0.062 0.000 0.865 63 K CB 1.315 33.807 32.500 -0.014 0.000 1.090 63 K HN 0.959 nan 8.250 nan 0.000 0.450 64 T N -0.252 114.243 114.554 -0.098 0.000 2.729 64 T HA 0.078 4.427 4.350 -0.000 0.000 0.298 64 T C 1.466 176.253 174.700 0.145 0.000 1.013 64 T CA -0.106 61.992 62.100 -0.004 0.000 0.957 64 T CB 0.663 69.521 68.868 -0.016 0.000 1.130 64 T HN 0.373 nan 8.240 nan 0.000 0.526 65 V N -0.560 119.510 119.914 0.260 0.000 2.488 65 V HA -0.044 4.075 4.120 -0.000 0.000 0.246 65 V C 2.265 178.430 176.094 0.118 0.000 1.046 65 V CA 1.555 63.968 62.300 0.188 0.000 1.053 65 V CB -1.209 30.733 31.823 0.199 0.000 0.679 65 V HN 0.904 nan 8.190 nan 0.000 0.458 66 D N 1.536 122.002 120.400 0.110 0.000 2.144 66 D HA 0.038 4.678 4.640 -0.000 0.000 0.199 66 D C 1.820 178.147 176.300 0.045 0.000 0.984 66 D CA 1.940 55.981 54.000 0.069 0.000 0.834 66 D CB -0.216 40.623 40.800 0.063 0.000 0.955 66 D HN 0.825 nan 8.370 nan 0.000 0.465 67 G N 0.025 108.845 108.800 0.034 0.000 2.935 67 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.213 67 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.213 67 G C 0.204 175.088 174.900 -0.026 0.000 0.984 67 G CA 0.120 45.225 45.100 0.009 0.000 0.790 67 G HN 0.438 nan 8.290 nan 0.000 0.538 68 Q N 1.426 121.204 119.800 -0.037 0.000 2.474 68 Q HA 0.472 4.812 4.340 -0.000 0.000 0.256 68 Q C -0.826 175.080 176.000 -0.157 0.000 1.048 68 Q CA 0.531 56.286 55.803 -0.080 0.000 0.922 68 Q CB 0.516 29.213 28.738 -0.069 0.000 1.288 68 Q HN 0.220 nan 8.270 nan 0.000 0.484 69 D N 1.652 121.940 120.400 -0.186 0.000 2.256 69 D HA 0.503 5.143 4.640 -0.000 0.000 0.246 69 D C -0.783 175.292 176.300 -0.375 0.000 1.042 69 D CA -0.268 53.564 54.000 -0.281 0.000 0.841 69 D CB 0.999 41.688 40.800 -0.185 0.000 1.223 69 D HN 0.387 nan 8.370 nan 0.000 0.470 70 R N 1.476 121.576 120.500 -0.667 0.000 2.686 70 R HA 0.417 4.756 4.340 -0.000 0.000 0.283 70 R C -0.885 175.064 176.300 -0.586 0.000 0.978 70 R CA -0.856 54.823 56.100 -0.702 0.000 0.897 70 R CB 2.346 32.033 30.300 -1.022 0.000 1.192 70 R HN 0.368 nan 8.270 nan 0.000 0.457 71 Q N 1.594 121.256 119.800 -0.230 0.000 2.274 71 Q HA 0.610 4.949 4.340 -0.000 0.000 0.260 71 Q C -1.545 174.511 176.000 0.093 0.000 0.974 71 Q CA -0.639 55.140 55.803 -0.040 0.000 0.876 71 Q CB 2.260 30.979 28.738 -0.033 0.000 1.297 71 Q HN 0.396 nan 8.270 nan 0.000 0.446 72 V N 2.988 123.017 119.914 0.193 0.000 3.012 72 V HA 0.478 4.597 4.120 -0.000 0.000 0.307 72 V C -1.451 174.701 176.094 0.097 0.000 1.166 72 V CA -0.879 61.535 62.300 0.190 0.000 0.974 72 V CB 2.281 34.293 31.823 0.315 0.000 1.040 72 V HN 0.751 nan 8.190 nan 0.000 0.428 73 K N 3.404 123.830 120.400 0.043 0.000 2.295 73 K HA 0.277 4.597 4.320 -0.000 0.000 0.270 73 K C 0.901 177.453 176.600 -0.081 0.000 1.011 73 K CA -0.255 56.012 56.287 -0.033 0.000 0.953 73 K CB 0.840 33.328 32.500 -0.021 0.000 0.956 73 K HN 0.639 nan 8.250 nan 0.000 0.477 74 K N 1.116 121.385 120.400 -0.218 0.000 2.283 74 K HA -0.130 4.189 4.320 -0.000 0.000 0.202 74 K C 0.854 177.395 176.600 -0.099 0.000 1.048 74 K CA 1.073 57.172 56.287 -0.312 0.000 0.948 74 K CB 0.147 32.353 32.500 -0.491 0.000 0.742 74 K HN 0.431 nan 8.250 nan 0.000 0.458 75 D N 1.150 121.511 120.400 -0.064 0.000 2.269 75 D HA -0.086 4.553 4.640 -0.000 0.000 0.208 75 D C 0.719 177.027 176.300 0.014 0.000 0.963 75 D CA 1.056 55.045 54.000 -0.019 0.000 0.864 75 D CB 0.089 40.877 40.800 -0.021 0.000 0.936 75 D HN 0.177 nan 8.370 nan 0.000 0.505 76 D N -0.176 120.241 120.400 0.028 0.000 2.431 76 D HA 0.185 4.825 4.640 -0.000 0.000 0.213 76 D C 0.237 176.591 176.300 0.090 0.000 1.130 76 D CA -0.058 53.978 54.000 0.060 0.000 0.834 76 D CB 0.494 41.334 40.800 0.065 0.000 0.985 76 D HN -0.024 nan 8.370 nan 0.000 0.504 77 A N 1.037 123.911 122.820 0.091 0.000 2.328 77 A HA 0.310 4.630 4.320 -0.000 0.000 0.284 77 A C 0.282 177.909 177.584 0.073 0.000 1.160 77 A CA -0.484 51.626 52.037 0.122 0.000 0.818 77 A CB 0.344 19.497 19.000 0.255 0.000 1.087 77 A HN -0.082 nan 8.150 nan 0.000 0.504 78 N N 3.191 121.931 118.700 0.067 0.000 2.918 78 N HA 0.098 4.838 4.740 -0.000 0.000 0.247 78 N C -0.488 175.024 175.510 0.003 0.000 1.117 78 N CA 0.109 53.198 53.050 0.065 0.000 1.005 78 N CB 0.832 39.390 38.487 0.118 0.000 1.297 78 N HN 0.711 nan 8.380 nan 0.000 0.513 79 Q N 0.739 120.433 119.800 -0.178 0.000 2.364 79 Q HA 0.086 4.425 4.340 -0.000 0.000 0.267 79 Q C 0.469 176.358 176.000 -0.186 0.000 0.999 79 Q CA 0.126 55.683 55.803 -0.410 0.000 0.886 79 Q CB 1.608 29.744 28.738 -1.004 0.000 1.243 79 Q HN 0.350 nan 8.270 nan 0.000 0.415 80 R N 2.579 122.915 120.500 -0.273 0.000 2.390 80 R HA 0.087 4.427 4.340 -0.000 0.000 0.291 80 R C -0.243 176.210 176.300 0.255 0.000 1.070 80 R CA -0.362 55.636 56.100 -0.170 0.000 1.014 80 R CB 0.587 30.449 30.300 -0.730 0.000 1.007 80 R HN 0.580 nan 8.270 nan 0.000 0.466 81 N N 4.085 123.019 118.700 0.391 0.000 2.415 81 N HA 0.110 4.849 4.740 -0.000 0.000 0.248 81 N C -2.350 173.353 175.510 0.321 0.000 1.271 81 N CA -1.011 52.257 53.050 0.363 0.000 0.913 81 N CB 0.501 39.113 38.487 0.209 0.000 1.129 81 N HN 0.489 nan 8.380 nan 0.000 0.444 82 P HA -0.048 nan 4.420 nan 0.000 0.260 82 P C 1.140 178.564 177.300 0.207 0.000 1.172 82 P CA 0.281 63.517 63.100 0.228 0.000 0.760 82 P CB 0.136 31.934 31.700 0.164 0.000 0.773 83 I N 2.746 123.380 120.570 0.107 0.000 3.164 83 I HA -0.201 3.969 4.170 -0.000 0.000 0.278 83 I C 1.365 177.516 176.117 0.056 0.000 1.320 83 I CA 0.952 62.313 61.300 0.101 0.000 1.422 83 I CB -0.623 37.400 38.000 0.039 0.000 1.066 83 I HN 0.274 nan 8.210 nan 0.000 0.503 84 K N 0.451 120.827 120.400 -0.041 0.000 2.442 84 K HA -0.066 4.254 4.320 -0.000 0.000 0.198 84 K C 1.191 177.692 176.600 -0.164 0.000 1.042 84 K CA 1.123 57.327 56.287 -0.139 0.000 0.958 84 K CB -0.423 31.925 32.500 -0.253 0.000 0.766 84 K HN 0.298 nan 8.250 nan 0.000 0.474 85 F N 2.093 122.066 119.950 0.037 0.000 2.664 85 F HA 0.107 4.633 4.527 -0.000 0.000 0.296 85 F C -0.031 175.804 175.800 0.057 0.000 1.125 85 F CA -0.304 57.721 58.000 0.043 0.000 1.444 85 F CB -0.042 38.986 39.000 0.046 0.000 1.114 85 F HN -0.074 nan 8.300 nan 0.000 0.576 86 D N 0.507 121.047 120.400 0.234 0.000 2.368 86 D HA 0.342 4.982 4.640 -0.000 0.000 0.268 86 D C 1.352 177.695 176.300 0.071 0.000 1.298 86 D CA 1.211 55.308 54.000 0.163 0.000 0.938 86 D CB 0.231 41.135 40.800 0.172 0.000 1.101 86 D HN 0.406 nan 8.370 nan 0.000 0.509 87 G N 1.441 110.262 108.800 0.036 0.000 2.184 87 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.206 87 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.206 87 G C 0.457 175.375 174.900 0.029 0.000 0.995 87 G CA -0.090 45.011 45.100 0.001 0.000 0.651 87 G HN 0.614 nan 8.290 nan 0.000 0.511 88 V N 1.241 121.205 119.914 0.084 0.000 2.720 88 V HA 0.164 4.283 4.120 -0.000 0.000 0.307 88 V C 1.623 177.762 176.094 0.076 0.000 1.071 88 V CA 1.719 64.085 62.300 0.110 0.000 1.199 88 V CB 0.878 32.830 31.823 0.214 0.000 0.900 88 V HN 0.515 nan 8.190 nan 0.000 0.494 89 E N 2.961 123.210 120.200 0.082 0.000 2.285 89 E HA -0.010 4.340 4.350 -0.000 0.000 0.194 89 E C -0.008 176.675 176.600 0.138 0.000 0.997 89 E CA 0.532 56.983 56.400 0.084 0.000 0.845 89 E CB 0.244 30.011 29.700 0.111 0.000 0.782 89 E HN 0.728 nan 8.360 nan 0.000 0.491 90 D N -0.289 120.194 120.400 0.138 0.000 2.542 90 D HA 0.158 4.798 4.640 -0.000 0.000 0.252 90 D C 0.280 176.617 176.300 0.061 0.000 1.222 90 D CA -0.286 53.791 54.000 0.128 0.000 0.895 90 D CB 1.146 42.015 40.800 0.114 0.000 1.207 90 D HN -0.118 nan 8.370 nan 0.000 0.558 91 M N 1.620 121.233 119.600 0.022 0.000 2.659 91 M HA -0.060 4.420 4.480 -0.000 0.000 0.243 91 M C 1.747 178.023 176.300 -0.039 0.000 1.111 91 M CA 0.259 55.553 55.300 -0.011 0.000 1.070 91 M CB 0.036 32.628 32.600 -0.015 0.000 1.525 91 M HN 0.343 nan 8.290 nan 0.000 0.517 92 S N -0.088 115.592 115.700 -0.033 0.000 2.515 92 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 92 S C 1.391 175.964 174.600 -0.046 0.000 0.987 92 S CA 0.770 58.946 58.200 -0.040 0.000 0.936 92 S CB -0.262 62.914 63.200 -0.041 0.000 0.766 92 S HN 0.541 nan 8.310 nan 0.000 0.528 93 E N 0.556 120.738 120.200 -0.030 0.000 2.371 93 E HA 0.215 4.565 4.350 -0.000 0.000 0.194 93 E C -0.072 176.397 176.600 -0.218 0.000 1.012 93 E CA -0.172 56.227 56.400 -0.002 0.000 0.860 93 E CB -0.069 29.712 29.700 0.135 0.000 0.811 93 E HN 0.565 nan 8.360 nan 0.000 0.502 94 L N 1.504 122.498 121.223 -0.381 0.000 2.525 94 L HA -0.046 4.293 4.340 -0.000 0.000 0.278 94 L C 1.334 177.835 176.870 -0.616 0.000 1.218 94 L CA -0.245 54.142 54.840 -0.756 0.000 0.878 94 L CB 0.860 42.694 42.059 -0.375 0.000 1.127 94 L HN 0.109 nan 8.230 nan 0.000 0.492 95 S N 1.555 116.750 115.700 -0.841 0.000 2.377 95 S HA -0.042 4.428 4.470 -0.000 0.000 0.223 95 S C 0.050 174.404 174.600 -0.411 0.000 1.030 95 S CA 0.740 58.604 58.200 -0.560 0.000 0.970 95 S CB -0.120 62.678 63.200 -0.671 0.000 0.830 95 S HN 0.401 nan 8.310 nan 0.000 0.473 96 Y N 1.872 122.101 120.300 -0.118 0.000 2.404 96 Y HA 0.600 5.150 4.550 -0.000 0.000 0.344 96 Y C -0.314 175.562 175.900 -0.040 0.000 0.970 96 Y CA -2.108 55.971 58.100 -0.035 0.000 1.180 96 Y CB 0.269 38.737 38.460 0.014 0.000 1.138 96 Y HN 0.030 nan 8.280 nan 0.000 0.510 97 L N 6.501 127.794 121.223 0.117 0.000 2.270 97 L HA 0.460 4.800 4.340 -0.000 0.000 0.286 97 L C -0.850 176.074 176.870 0.091 0.000 1.059 97 L CA -0.293 54.590 54.840 0.073 0.000 0.839 97 L CB -0.681 41.412 42.059 0.056 0.000 1.221 97 L HN 0.859 nan 8.230 nan 0.000 0.431 98 N N 0.905 119.649 118.700 0.075 0.000 2.934 98 N HA 0.286 5.026 4.740 -0.000 0.000 0.253 98 N C 0.089 175.593 175.510 -0.010 0.000 1.466 98 N CA -0.720 52.359 53.050 0.049 0.000 0.858 98 N CB 0.563 39.087 38.487 0.061 0.000 1.459 98 N HN 0.315 nan 8.380 nan 0.000 0.532 99 E N -0.794 119.381 120.200 -0.041 0.000 2.031 99 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 99 E C -0.953 175.517 176.600 -0.216 0.000 0.994 99 E CA 1.508 57.864 56.400 -0.074 0.000 0.800 99 E CB -0.739 28.948 29.700 -0.021 0.000 0.752 99 E HN 0.571 nan 8.360 nan 0.000 0.447 100 P HA -0.143 nan 4.420 nan 0.000 0.217 100 P C 1.078 177.932 177.300 -0.743 0.000 1.150 100 P CA 1.609 64.150 63.100 -0.932 0.000 0.832 100 P CB 0.015 30.712 31.700 -1.672 0.000 0.787 101 A N 0.019 122.604 122.820 -0.391 0.000 1.877 101 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 101 A C 2.510 180.083 177.584 -0.019 0.000 1.186 101 A CA 1.992 54.001 52.037 -0.047 0.000 0.620 101 A CB -1.696 17.400 19.000 0.159 0.000 0.822 101 A HN 0.051 nan 8.150 nan 0.000 0.443 102 V N -1.158 118.741 119.914 -0.026 0.000 2.295 102 V HA -0.236 3.883 4.120 -0.000 0.000 0.246 102 V C 2.296 178.390 176.094 0.000 0.000 1.049 102 V CA 2.220 64.522 62.300 0.004 0.000 1.024 102 V CB -0.904 30.936 31.823 0.028 0.000 0.648 102 V HN 0.648 nan 8.190 nan 0.000 0.447 103 F N 0.960 120.815 119.950 -0.159 0.000 2.095 103 F HA -0.252 4.274 4.527 -0.000 0.000 0.298 103 F C 2.417 178.118 175.800 -0.165 0.000 1.104 103 F CA 2.385 60.286 58.000 -0.166 0.000 1.232 103 F CB -0.710 38.171 39.000 -0.198 0.000 0.987 103 F HN 0.368 nan 8.300 nan 0.000 0.475 104 H N -0.010 118.791 119.070 -0.448 0.000 2.319 104 H HA -0.221 4.334 4.556 -0.000 0.000 0.297 104 H C 2.183 177.337 175.328 -0.289 0.000 1.097 104 H CA 2.421 58.187 56.048 -0.470 0.000 1.285 104 H CB -0.759 28.774 29.762 -0.381 0.000 1.368 104 H HN 0.346 nan 8.280 nan 0.000 0.495 105 N N -0.322 118.261 118.700 -0.196 0.000 2.120 105 N HA -0.112 4.627 4.740 -0.000 0.000 0.188 105 N C 1.847 177.222 175.510 -0.226 0.000 1.024 105 N CA 1.460 54.408 53.050 -0.171 0.000 0.852 105 N CB -0.219 38.253 38.487 -0.024 0.000 1.003 105 N HN 0.436 nan 8.380 nan 0.000 0.424 106 L N -0.166 120.910 121.223 -0.244 0.000 2.141 106 L HA -0.039 4.301 4.340 -0.000 0.000 0.209 106 L C 2.576 179.274 176.870 -0.286 0.000 1.094 106 L CA 0.721 55.431 54.840 -0.218 0.000 0.763 106 L CB -0.382 41.569 42.059 -0.179 0.000 0.908 106 L HN 0.210 nan 8.230 nan 0.000 0.437 107 R N 0.318 120.512 120.500 -0.511 0.000 2.070 107 R HA -0.144 4.196 4.340 -0.000 0.000 0.233 107 R C 2.282 178.418 176.300 -0.274 0.000 1.137 107 R CA 1.736 57.548 56.100 -0.481 0.000 0.945 107 R CB -0.306 29.561 30.300 -0.722 0.000 0.845 107 R HN 0.105 nan 8.270 nan 0.000 0.430 108 V N 1.478 121.169 119.914 -0.372 0.000 2.252 108 V HA -0.312 3.807 4.120 -0.000 0.000 0.249 108 V C 2.539 178.549 176.094 -0.140 0.000 1.056 108 V CA 2.303 64.451 62.300 -0.253 0.000 1.022 108 V CB -0.601 31.054 31.823 -0.281 0.000 0.641 108 V HN 0.427 nan 8.190 nan 0.000 0.445 109 R N -1.436 118.988 120.500 -0.127 0.000 2.073 109 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 109 R C 2.347 178.612 176.300 -0.058 0.000 1.134 109 R CA 1.985 58.034 56.100 -0.084 0.000 0.952 109 R CB -0.565 29.689 30.300 -0.076 0.000 0.850 109 R HN 0.589 nan 8.270 nan 0.000 0.433 110 Y N 2.241 122.435 120.300 -0.176 0.000 2.224 110 Y HA -0.191 4.359 4.550 -0.000 0.000 0.289 110 Y C 1.769 177.596 175.900 -0.121 0.000 1.146 110 Y CA 1.405 59.412 58.100 -0.155 0.000 1.182 110 Y CB -0.213 38.151 38.460 -0.160 0.000 0.983 110 Y HN 0.025 nan 8.280 nan 0.000 0.524 111 N N 0.442 119.115 118.700 -0.044 0.000 2.364 111 N HA -0.162 4.578 4.740 -0.000 0.000 0.183 111 N C 0.562 175.994 175.510 -0.129 0.000 1.022 111 N CA 1.580 54.578 53.050 -0.086 0.000 0.883 111 N CB -0.279 38.179 38.487 -0.049 0.000 0.965 111 N HN 0.667 nan 8.380 nan 0.000 0.438 112 Q N -0.019 119.702 119.800 -0.131 0.000 2.225 112 Q HA 0.216 4.556 4.340 -0.000 0.000 0.259 112 Q C -0.848 175.064 176.000 -0.146 0.000 0.872 112 Q CA -0.289 55.443 55.803 -0.119 0.000 1.042 112 Q CB 0.363 29.049 28.738 -0.088 0.000 1.142 112 Q HN -0.064 nan 8.270 nan 0.000 0.463 113 D N 0.826 121.083 120.400 -0.238 0.000 2.945 113 D HA -0.159 4.480 4.640 -0.000 0.000 0.225 113 D C -0.810 175.368 176.300 -0.205 0.000 1.158 113 D CA 0.797 54.641 54.000 -0.259 0.000 0.805 113 D CB -1.293 39.414 40.800 -0.155 0.000 1.098 113 D HN 0.453 nan 8.370 nan 0.000 0.426 114 L N 1.345 122.463 121.223 -0.176 0.000 2.328 114 L HA 0.316 4.656 4.340 -0.000 0.000 0.280 114 L C 2.114 178.883 176.870 -0.168 0.000 1.111 114 L CA -0.459 54.290 54.840 -0.152 0.000 0.909 114 L CB 0.185 42.177 42.059 -0.111 0.000 1.277 114 L HN 0.110 nan 8.230 nan 0.000 0.433 115 I N -1.504 118.889 120.570 -0.295 0.000 3.226 115 I HA 0.057 4.226 4.170 -0.000 0.000 0.277 115 I C 0.010 175.847 176.117 -0.466 0.000 1.243 115 I CA 0.297 61.384 61.300 -0.356 0.000 1.459 115 I CB 0.012 37.703 38.000 -0.515 0.000 1.093 115 I HN 0.196 nan 8.210 nan 0.000 0.453 116 Y N 1.793 121.981 120.300 -0.186 0.000 2.361 116 Y HA 0.658 5.208 4.550 -0.000 0.000 0.332 116 Y C 0.028 175.778 175.900 -0.250 0.000 1.101 116 Y CA -0.884 57.071 58.100 -0.241 0.000 1.137 116 Y CB 1.648 39.901 38.460 -0.344 0.000 1.207 116 Y HN -0.092 nan 8.280 nan 0.000 0.463 117 T N 2.123 116.617 114.554 -0.100 0.000 3.041 117 T HA 0.334 4.684 4.350 -0.000 0.000 0.321 117 T C -1.443 173.152 174.700 -0.175 0.000 1.184 117 T CA -0.961 61.056 62.100 -0.140 0.000 1.050 117 T CB 0.585 69.417 68.868 -0.060 0.000 1.159 117 T HN 0.207 nan 8.240 nan 0.000 0.469 118 Y N 0.926 121.224 120.300 -0.004 0.000 2.307 118 Y HA 0.527 5.077 4.550 -0.000 0.000 0.324 118 Y C 1.208 177.018 175.900 -0.149 0.000 1.238 118 Y CA -0.677 57.385 58.100 -0.064 0.000 1.280 118 Y CB 1.320 39.748 38.460 -0.053 0.000 1.248 118 Y HN 0.570 nan 8.280 nan 0.000 0.508 119 S N 1.702 117.305 115.700 -0.162 0.000 2.204 119 S HA 0.491 4.961 4.470 -0.000 0.000 0.178 119 S C 0.473 174.685 174.600 -0.647 0.000 1.493 119 S CA 0.148 58.098 58.200 -0.417 0.000 1.266 119 S CB -0.772 62.130 63.200 -0.497 0.000 1.232 119 S HN 1.202 nan 8.310 nan 0.000 0.406 120 G N 2.264 110.889 108.800 -0.291 0.000 2.543 120 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.286 120 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.286 120 G C 0.586 175.358 174.900 -0.212 0.000 1.153 120 G CA 0.342 45.311 45.100 -0.218 0.000 0.968 120 G HN 0.561 nan 8.290 nan 0.000 0.544 121 L N 1.190 122.340 121.223 -0.121 0.000 2.376 121 L HA 0.308 4.648 4.340 -0.000 0.000 0.219 121 L C 1.454 178.434 176.870 0.183 0.000 1.133 121 L CA 1.142 56.007 54.840 0.041 0.000 0.816 121 L CB -0.589 41.551 42.059 0.135 0.000 0.933 121 L HN 0.449 nan 8.230 nan 0.000 0.449 122 F N -2.000 118.076 119.950 0.210 0.000 2.639 122 F HA 0.704 5.231 4.527 -0.000 0.000 0.339 122 F C -0.614 175.386 175.800 0.333 0.000 1.071 122 F CA -1.977 56.200 58.000 0.295 0.000 0.994 122 F CB 0.696 39.920 39.000 0.373 0.000 1.341 122 F HN -0.396 nan 8.300 nan 0.000 0.498 123 L N 1.740 123.273 121.223 0.516 0.000 2.322 123 L HA 0.750 5.090 4.340 -0.000 0.000 0.279 123 L C -1.035 176.034 176.870 0.333 0.000 1.036 123 L CA -0.652 54.389 54.840 0.336 0.000 0.807 123 L CB 1.650 43.847 42.059 0.230 0.000 1.226 123 L HN 0.587 nan 8.230 nan 0.000 0.433 124 V N 4.181 124.211 119.914 0.193 0.000 2.555 124 V HA 0.844 4.964 4.120 -0.000 0.000 0.302 124 V C -0.211 175.946 176.094 0.105 0.000 1.038 124 V CA -0.411 61.985 62.300 0.159 0.000 0.887 124 V CB 1.429 33.322 31.823 0.116 0.000 0.991 124 V HN 0.936 nan 8.190 nan 0.000 0.434 125 A N 4.521 127.381 122.820 0.068 0.000 2.410 125 A HA 0.735 5.054 4.320 -0.000 0.000 0.289 125 A C -0.854 176.664 177.584 -0.111 0.000 1.200 125 A CA -0.450 51.566 52.037 -0.035 0.000 0.751 125 A CB 1.198 20.241 19.000 0.071 0.000 1.161 125 A HN 0.636 nan 8.150 nan 0.000 0.459 126 V N 3.321 123.145 119.914 -0.149 0.000 2.408 126 V HA 0.122 4.242 4.120 -0.000 0.000 0.267 126 V C 0.705 176.733 176.094 -0.110 0.000 1.047 126 V CA -0.846 61.370 62.300 -0.140 0.000 0.937 126 V CB 0.814 32.519 31.823 -0.196 0.000 0.999 126 V HN 0.877 nan 8.190 nan 0.000 0.472 127 N N 8.446 127.038 118.700 -0.179 0.000 2.374 127 N HA 0.025 4.765 4.740 -0.000 0.000 0.269 127 N C -1.085 174.338 175.510 -0.146 0.000 1.310 127 N CA -1.314 51.558 53.050 -0.296 0.000 0.877 127 N CB 1.326 39.455 38.487 -0.597 0.000 1.096 127 N HN 0.371 nan 8.380 nan 0.000 0.484 128 P HA 0.021 nan 4.420 nan 0.000 0.230 128 P C -0.098 177.269 177.300 0.110 0.000 1.168 128 P CA 0.265 63.374 63.100 0.014 0.000 0.793 128 P CB 0.089 31.721 31.700 -0.114 0.000 0.851 129 F N -0.116 119.852 119.950 0.029 0.000 3.093 129 F HA -0.256 4.271 4.527 -0.000 0.000 0.287 129 F C 0.641 176.441 175.800 -0.001 0.000 0.882 129 F CA 1.179 59.190 58.000 0.019 0.000 1.063 129 F CB -2.205 36.817 39.000 0.036 0.000 1.097 129 F HN 0.211 nan 8.300 nan 0.000 0.604 130 K N -1.620 118.851 120.400 0.117 0.000 2.615 130 K HA 0.714 5.034 4.320 -0.000 0.000 0.291 130 K C -0.734 175.877 176.600 0.019 0.000 1.017 130 K CA -1.348 54.974 56.287 0.059 0.000 0.882 130 K CB 1.453 33.971 32.500 0.029 0.000 1.522 130 K HN 0.010 nan 8.250 nan 0.000 0.412 131 R N 0.911 121.419 120.500 0.013 0.000 2.390 131 R HA 0.443 4.782 4.340 -0.000 0.000 0.291 131 R C -0.483 175.797 176.300 -0.034 0.000 1.070 131 R CA -0.396 55.710 56.100 0.009 0.000 1.014 131 R CB 0.421 30.729 30.300 0.014 0.000 1.007 131 R HN 0.473 nan 8.270 nan 0.000 0.466 132 I N 3.769 124.313 120.570 -0.043 0.000 2.545 132 I HA 0.263 4.433 4.170 -0.000 0.000 0.292 132 I C -1.989 173.995 176.117 -0.222 0.000 1.040 132 I CA -2.425 58.780 61.300 -0.158 0.000 1.068 132 I CB 2.494 40.392 38.000 -0.170 0.000 1.251 132 I HN 0.376 nan 8.210 nan 0.000 0.424 133 P HA 0.132 nan 4.420 nan 0.000 0.218 133 P C 0.427 177.516 177.300 -0.351 0.000 1.793 133 P CA 0.169 63.041 63.100 -0.380 0.000 0.941 133 P CB -0.355 30.997 31.700 -0.580 0.000 1.919 134 I N -3.611 116.729 120.570 -0.383 0.000 3.936 134 I HA 0.246 4.416 4.170 -0.000 0.000 0.330 134 I C -0.794 175.062 176.117 -0.434 0.000 1.509 134 I CA -0.394 60.685 61.300 -0.368 0.000 1.126 134 I CB -0.404 37.341 38.000 -0.425 0.000 1.115 134 I HN -0.121 nan 8.210 nan 0.000 0.424 135 Y N 1.650 122.030 120.300 0.133 0.000 2.698 135 Y HA 0.303 4.852 4.550 -0.000 0.000 0.261 135 Y C 1.305 177.405 175.900 0.334 0.000 1.104 135 Y CA -0.733 57.528 58.100 0.269 0.000 1.145 135 Y CB -0.222 38.343 38.460 0.175 0.000 1.191 135 Y HN 0.155 nan 8.280 nan 0.000 0.564 136 T N -3.481 111.276 114.554 0.338 0.000 2.816 136 T HA 0.065 4.414 4.350 -0.000 0.000 0.282 136 T C 1.255 176.101 174.700 0.243 0.000 0.993 136 T CA -0.397 61.849 62.100 0.243 0.000 0.994 136 T CB 1.303 70.266 68.868 0.158 0.000 1.025 136 T HN 0.199 nan 8.240 nan 0.000 0.529 137 Q N 0.275 120.166 119.800 0.152 0.000 2.181 137 Q HA -0.129 4.211 4.340 -0.000 0.000 0.205 137 Q C 1.916 177.976 176.000 0.100 0.000 0.980 137 Q CA 1.856 57.716 55.803 0.095 0.000 0.862 137 Q CB -0.539 28.232 28.738 0.054 0.000 0.905 137 Q HN 0.845 nan 8.270 nan 0.000 0.429 138 E N -0.802 119.470 120.200 0.119 0.000 2.058 138 E HA -0.178 4.171 4.350 -0.000 0.000 0.194 138 E C 1.790 178.490 176.600 0.167 0.000 0.997 138 E CA 1.643 58.114 56.400 0.119 0.000 0.801 138 E CB -0.183 29.587 29.700 0.117 0.000 0.746 138 E HN 0.361 nan 8.360 nan 0.000 0.450 139 M N 0.021 119.771 119.600 0.250 0.000 2.117 139 M HA -0.111 4.369 4.480 -0.000 0.000 0.262 139 M C 2.296 178.879 176.300 0.471 0.000 1.065 139 M CA 0.971 56.500 55.300 0.381 0.000 1.114 139 M CB -0.716 32.141 32.600 0.428 0.000 1.361 139 M HN 0.049 nan 8.290 nan 0.000 0.408 140 V N 1.121 121.224 119.914 0.315 0.000 2.252 140 V HA -0.300 3.820 4.120 -0.000 0.000 0.249 140 V C 1.964 178.164 176.094 0.177 0.000 1.056 140 V CA 2.086 64.430 62.300 0.074 0.000 1.022 140 V CB -0.816 30.921 31.823 -0.144 0.000 0.641 140 V HN 0.375 nan 8.190 nan 0.000 0.445 141 D N -0.244 120.213 120.400 0.095 0.000 2.178 141 D HA -0.129 4.510 4.640 -0.000 0.000 0.201 141 D C 2.099 178.426 176.300 0.046 0.000 0.980 141 D CA 1.018 55.045 54.000 0.045 0.000 0.842 141 D CB -0.170 40.641 40.800 0.019 0.000 0.948 141 D HN 0.302 nan 8.370 nan 0.000 0.472 142 I N 0.101 120.696 120.570 0.041 0.000 2.226 142 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 142 I C 1.977 177.974 176.117 -0.200 0.000 1.100 142 I CA 1.037 62.248 61.300 -0.148 0.000 1.374 142 I CB -0.765 37.050 38.000 -0.309 0.000 1.057 142 I HN -0.046 nan 8.210 nan 0.000 0.413 143 F N 0.804 120.792 119.950 0.063 0.000 2.615 143 F HA 0.049 4.576 4.527 -0.000 0.000 0.297 143 F C 1.400 177.264 175.800 0.107 0.000 1.124 143 F CA 0.102 58.139 58.000 0.062 0.000 1.451 143 F CB -0.264 38.735 39.000 -0.002 0.000 1.103 143 F HN -0.145 nan 8.300 nan 0.000 0.569 144 K N 0.560 121.109 120.400 0.249 0.000 2.437 144 K HA 0.140 4.460 4.320 -0.000 0.000 0.277 144 K C 1.262 177.913 176.600 0.085 0.000 1.073 144 K CA 1.009 57.383 56.287 0.146 0.000 1.105 144 K CB -0.226 32.292 32.500 0.029 0.000 0.881 144 K HN 0.395 nan 8.250 nan 0.000 0.475 145 G N 3.635 112.494 108.800 0.098 0.000 2.220 145 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.269 145 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.269 145 G C -0.105 174.827 174.900 0.053 0.000 0.977 145 G CA 0.333 45.471 45.100 0.063 0.000 0.634 145 G HN 0.643 nan 8.290 nan 0.000 0.539 146 R N 0.341 120.881 120.500 0.067 0.000 2.441 146 R HA 0.508 4.847 4.340 -0.000 0.000 0.284 146 R C 0.339 176.675 176.300 0.060 0.000 1.070 146 R CA -0.670 55.455 56.100 0.041 0.000 1.047 146 R CB 0.644 30.946 30.300 0.004 0.000 1.016 146 R HN 0.050 nan 8.270 nan 0.000 0.477 147 R N 2.035 122.557 120.500 0.036 0.000 2.490 147 R HA 0.103 4.443 4.340 -0.000 0.000 0.278 147 R C 1.337 177.663 176.300 0.043 0.000 1.069 147 R CA -0.261 55.857 56.100 0.030 0.000 1.080 147 R CB 0.606 30.912 30.300 0.010 0.000 1.030 147 R HN 0.675 nan 8.270 nan 0.000 0.491 148 R N 1.665 122.175 120.500 0.016 0.000 2.133 148 R HA -0.284 4.056 4.340 -0.000 0.000 0.245 148 R C 1.462 177.778 176.300 0.025 0.000 1.137 148 R CA 2.754 58.851 56.100 -0.004 0.000 0.947 148 R CB -0.255 29.930 30.300 -0.191 0.000 0.865 148 R HN 0.758 nan 8.270 nan 0.000 0.437 149 N N -0.377 118.316 118.700 -0.012 0.000 2.520 149 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 149 N C 1.127 176.666 175.510 0.048 0.000 1.068 149 N CA 1.271 54.332 53.050 0.017 0.000 0.911 149 N CB 0.019 38.505 38.487 -0.001 0.000 0.961 149 N HN 0.395 nan 8.380 nan 0.000 0.446 150 E N -0.458 119.770 120.200 0.046 0.000 2.250 150 E HA 0.044 4.394 4.350 -0.000 0.000 0.192 150 E C 0.210 176.820 176.600 0.017 0.000 0.986 150 E CA 0.418 56.834 56.400 0.027 0.000 0.849 150 E CB 0.473 30.180 29.700 0.012 0.000 0.797 150 E HN 0.406 nan 8.360 nan 0.000 0.482 151 V N -2.541 117.425 119.914 0.086 0.000 3.158 151 V HA 0.771 4.891 4.120 -0.000 0.000 0.315 151 V C -0.048 176.216 176.094 0.284 0.000 1.148 151 V CA -1.268 61.115 62.300 0.138 0.000 1.042 151 V CB 1.350 33.200 31.823 0.046 0.000 1.101 151 V HN -0.030 nan 8.190 nan 0.000 0.448 152 A N 0.998 124.027 122.820 0.348 0.000 2.366 152 A HA 0.665 4.985 4.320 -0.000 0.000 0.249 152 A C -2.378 175.376 177.584 0.284 0.000 1.084 152 A CA -1.293 50.880 52.037 0.227 0.000 0.794 152 A CB -0.797 18.209 19.000 0.010 0.000 1.034 152 A HN 0.820 nan 8.150 nan 0.000 0.491 153 P HA 0.092 nan 4.420 nan 0.000 0.261 153 P C -0.419 176.756 177.300 -0.209 0.000 1.183 153 P CA 1.048 63.937 63.100 -0.352 0.000 0.761 153 P CB 0.159 31.466 31.700 -0.656 0.000 0.785 154 H N 2.864 121.650 119.070 -0.474 0.000 3.037 154 H HA 0.201 4.757 4.556 -0.000 0.000 0.355 154 H C 0.286 175.043 175.328 -0.952 0.000 1.263 154 H CA -0.602 54.909 56.048 -0.895 0.000 1.129 154 H CB 1.579 30.780 29.762 -0.934 0.000 1.861 154 H HN 0.214 nan 8.280 nan 0.000 0.546 155 I N 1.849 121.796 120.570 -1.039 0.000 2.546 155 I HA -0.188 3.982 4.170 -0.000 0.000 0.255 155 I C 1.154 177.166 176.117 -0.176 0.000 1.163 155 I CA 0.880 61.888 61.300 -0.487 0.000 1.457 155 I CB -0.352 37.420 38.000 -0.379 0.000 1.092 155 I HN 0.333 nan 8.210 nan 0.000 0.434 156 F N 1.726 121.458 119.950 -0.362 0.000 2.171 156 F HA -0.114 4.413 4.527 -0.000 0.000 0.300 156 F C 2.746 177.919 175.800 -1.045 0.000 1.090 156 F CA 0.998 58.400 58.000 -0.997 0.000 1.293 156 F CB -1.560 36.564 39.000 -1.460 0.000 1.013 156 F HN 0.133 nan 8.300 nan 0.000 0.486 157 A N -0.224 122.275 122.820 -0.535 0.000 1.897 157 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 157 A C 2.180 179.714 177.584 -0.083 0.000 1.181 157 A CA 1.264 53.196 52.037 -0.176 0.000 0.620 157 A CB -0.999 18.057 19.000 0.093 0.000 0.821 157 A HN 0.264 nan 8.150 nan 0.000 0.443 158 I N -0.088 120.439 120.570 -0.071 0.000 2.439 158 I HA -0.121 4.049 4.170 -0.000 0.000 0.251 158 I C 2.286 178.319 176.117 -0.140 0.000 1.139 158 I CA 1.622 62.891 61.300 -0.052 0.000 1.438 158 I CB -0.133 37.890 38.000 0.038 0.000 1.085 158 I HN 0.206 nan 8.210 nan 0.000 0.427 159 S N 0.078 115.696 115.700 -0.135 0.000 2.368 159 S HA -0.253 4.217 4.470 -0.000 0.000 0.225 159 S C 1.739 176.354 174.600 0.024 0.000 1.030 159 S CA 1.800 59.967 58.200 -0.055 0.000 0.999 159 S CB -0.587 62.598 63.200 -0.024 0.000 0.844 159 S HN 0.627 nan 8.310 nan 0.000 0.459 160 D N 0.863 121.253 120.400 -0.018 0.000 2.097 160 D HA -0.098 4.542 4.640 -0.000 0.000 0.195 160 D C 1.820 178.168 176.300 0.081 0.000 0.989 160 D CA 1.094 55.194 54.000 0.166 0.000 0.827 160 D CB -0.099 40.793 40.800 0.154 0.000 0.966 160 D HN 0.132 nan 8.370 nan 0.000 0.456 161 V N 0.699 120.594 119.914 -0.031 0.000 2.392 161 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 161 V C 2.439 178.438 176.094 -0.160 0.000 1.059 161 V CA 1.858 64.107 62.300 -0.085 0.000 1.051 161 V CB -0.875 30.876 31.823 -0.119 0.000 0.658 161 V HN 0.348 nan 8.190 nan 0.000 0.455 162 A N -1.176 121.466 122.820 -0.296 0.000 1.898 162 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 162 A C 2.139 179.679 177.584 -0.072 0.000 1.181 162 A CA 1.802 53.667 52.037 -0.286 0.000 0.620 162 A CB -0.717 18.085 19.000 -0.329 0.000 0.819 162 A HN 0.598 nan 8.150 nan 0.000 0.442 163 Y N 0.866 121.071 120.300 -0.158 0.000 2.097 163 Y HA -0.263 4.287 4.550 -0.000 0.000 0.282 163 Y C 2.503 178.265 175.900 -0.229 0.000 1.152 163 Y CA 2.255 60.222 58.100 -0.222 0.000 1.136 163 Y CB -0.148 38.214 38.460 -0.164 0.000 0.975 163 Y HN 0.191 nan 8.280 nan 0.000 0.498 164 R N -0.199 120.235 120.500 -0.109 0.000 2.091 164 R HA -0.135 4.204 4.340 -0.000 0.000 0.238 164 R C 2.527 178.695 176.300 -0.219 0.000 1.136 164 R CA 1.407 57.402 56.100 -0.175 0.000 0.959 164 R CB -1.502 28.766 30.300 -0.053 0.000 0.856 164 R HN 0.286 nan 8.270 nan 0.000 0.437 165 S N 1.057 116.666 115.700 -0.151 0.000 2.399 165 S HA -0.078 4.392 4.470 -0.000 0.000 0.231 165 S C 1.789 176.261 174.600 -0.213 0.000 1.022 165 S CA 1.203 59.331 58.200 -0.120 0.000 0.983 165 S CB -0.128 63.070 63.200 -0.002 0.000 0.803 165 S HN 0.333 nan 8.310 nan 0.000 0.480 166 M N 0.689 120.101 119.600 -0.313 0.000 2.156 166 M HA -0.029 4.451 4.480 -0.000 0.000 0.264 166 M C 1.606 177.518 176.300 -0.647 0.000 1.067 166 M CA 1.468 56.481 55.300 -0.478 0.000 1.131 166 M CB -0.174 32.109 32.600 -0.528 0.000 1.368 166 M HN 0.266 nan 8.290 nan 0.000 0.416 167 L N -0.165 120.691 121.223 -0.612 0.000 2.072 167 L HA -0.176 4.164 4.340 -0.000 0.000 0.205 167 L C 1.898 178.563 176.870 -0.342 0.000 1.079 167 L CA 0.906 55.428 54.840 -0.531 0.000 0.752 167 L CB -0.831 40.903 42.059 -0.541 0.000 0.906 167 L HN 0.273 nan 8.230 nan 0.000 0.436 168 D N -0.211 120.027 120.400 -0.270 0.000 2.162 168 D HA -0.122 4.517 4.640 -0.000 0.000 0.205 168 D C 1.626 177.839 176.300 -0.145 0.000 0.964 168 D CA 1.042 54.940 54.000 -0.170 0.000 0.847 168 D CB -0.100 40.623 40.800 -0.128 0.000 0.988 168 D HN 0.218 nan 8.370 nan 0.000 0.480 169 D N 0.031 120.334 120.400 -0.161 0.000 2.333 169 D HA 0.057 4.697 4.640 -0.000 0.000 0.208 169 D C 0.267 176.488 176.300 -0.132 0.000 0.984 169 D CA 0.115 54.043 54.000 -0.119 0.000 0.873 169 D CB 0.195 40.935 40.800 -0.100 0.000 0.935 169 D HN 0.052 nan 8.370 nan 0.000 0.521 170 R N 0.144 120.486 120.500 -0.263 0.000 3.332 170 R HA -0.193 4.147 4.340 -0.000 0.000 0.263 170 R C -0.121 176.102 176.300 -0.127 0.000 1.053 170 R CA 0.383 56.289 56.100 -0.324 0.000 0.705 170 R CB -1.876 28.441 30.300 0.027 0.000 1.166 170 R HN 0.264 nan 8.270 nan 0.000 0.427 171 Q N 0.422 120.079 119.800 -0.238 0.000 2.347 171 Q HA 0.308 4.648 4.340 -0.000 0.000 0.271 171 Q C -0.706 175.216 176.000 -0.131 0.000 1.064 171 Q CA -0.953 54.804 55.803 -0.077 0.000 0.800 171 Q CB 1.290 29.990 28.738 -0.064 0.000 1.304 171 Q HN 0.124 nan 8.270 nan 0.000 0.438 172 N N 2.562 121.219 118.700 -0.072 0.000 2.416 172 N HA 0.052 4.792 4.740 -0.000 0.000 0.246 172 N C -0.649 174.697 175.510 -0.273 0.000 1.260 172 N CA 0.505 53.382 53.050 -0.289 0.000 0.897 172 N CB 0.720 38.863 38.487 -0.572 0.000 1.110 172 N HN 0.526 nan 8.380 nan 0.000 0.439 173 Q N -0.081 119.543 119.800 -0.294 0.000 2.458 173 Q HA 0.565 4.905 4.340 -0.000 0.000 0.282 173 Q C -0.674 175.313 176.000 -0.022 0.000 1.106 173 Q CA -0.824 54.924 55.803 -0.092 0.000 0.814 173 Q CB 2.000 30.769 28.738 0.052 0.000 1.425 173 Q HN 0.700 nan 8.270 nan 0.000 0.437 174 S N -0.055 115.684 115.700 0.065 0.000 2.540 174 S HA 0.663 5.133 4.470 -0.000 0.000 0.275 174 S C -1.064 173.605 174.600 0.115 0.000 1.123 174 S CA -0.765 57.519 58.200 0.140 0.000 0.907 174 S CB 1.002 64.294 63.200 0.153 0.000 1.081 174 S HN 0.380 nan 8.310 nan 0.000 0.476 175 L N 2.696 124.000 121.223 0.136 0.000 2.283 175 L HA 0.485 4.825 4.340 -0.000 0.000 0.281 175 L C -0.840 176.074 176.870 0.074 0.000 1.033 175 L CA -0.282 54.619 54.840 0.101 0.000 0.848 175 L CB 1.016 43.141 42.059 0.110 0.000 1.226 175 L HN 0.667 nan 8.230 nan 0.000 0.429 176 L N 5.644 126.868 121.223 0.002 0.000 2.259 176 L HA 0.446 4.785 4.340 -0.000 0.000 0.288 176 L C -0.288 176.673 176.870 0.151 0.000 1.051 176 L CA -0.242 54.633 54.840 0.059 0.000 0.824 176 L CB 0.453 42.527 42.059 0.026 0.000 1.206 176 L HN 0.473 nan 8.230 nan 0.000 0.429 177 I N 3.125 123.767 120.570 0.120 0.000 2.307 177 I HA 0.170 4.340 4.170 -0.000 0.000 0.287 177 I C 0.895 177.063 176.117 0.085 0.000 1.054 177 I CA -0.299 61.067 61.300 0.110 0.000 1.218 177 I CB 1.036 39.086 38.000 0.082 0.000 1.398 177 I HN 0.579 nan 8.210 nan 0.000 0.475 178 T N 2.280 116.882 114.554 0.080 0.000 2.849 178 T HA 0.799 5.149 4.350 -0.000 0.000 0.284 178 T C 0.230 174.946 174.700 0.026 0.000 1.004 178 T CA -0.532 61.590 62.100 0.036 0.000 1.021 178 T CB 1.933 70.785 68.868 -0.027 0.000 1.013 178 T HN 0.894 nan 8.240 nan 0.000 0.527 179 G N 0.815 109.637 108.800 0.036 0.000 2.386 179 G HA2 0.402 4.361 3.960 -0.000 0.000 0.302 179 G HA3 0.402 4.361 3.960 -0.000 0.000 0.302 179 G C -0.968 173.971 174.900 0.065 0.000 1.629 179 G CA -0.597 44.523 45.100 0.033 0.000 0.917 179 G HN 1.063 nan 8.290 nan 0.000 0.676 180 E N -0.151 120.083 120.200 0.057 0.000 2.376 180 E HA 0.537 4.887 4.350 -0.000 0.000 0.254 180 E C 0.585 177.224 176.600 0.064 0.000 1.213 180 E CA -0.120 56.336 56.400 0.093 0.000 0.945 180 E CB 0.893 30.636 29.700 0.072 0.000 1.057 180 E HN 0.571 nan 8.360 nan 0.000 0.479 181 S N -0.061 115.674 115.700 0.058 0.000 2.575 181 S HA 0.273 4.742 4.470 -0.000 0.000 0.295 181 S C 1.038 175.682 174.600 0.072 0.000 1.267 181 S CA 0.798 59.027 58.200 0.048 0.000 1.074 181 S CB -0.783 62.431 63.200 0.023 0.000 0.829 181 S HN 0.990 nan 8.310 nan 0.000 0.497 182 G N 3.549 112.396 108.800 0.077 0.000 2.217 182 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.246 182 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.246 182 G C 1.026 175.947 174.900 0.035 0.000 0.990 182 G CA 0.413 45.582 45.100 0.114 0.000 0.627 182 G HN 1.454 nan 8.290 nan 0.000 0.522 183 A N -0.068 122.753 122.820 0.001 0.000 2.019 183 A HA 0.452 4.772 4.320 -0.000 0.000 0.219 183 A C 2.666 180.180 177.584 -0.117 0.000 1.164 183 A CA 2.606 54.608 52.037 -0.059 0.000 0.644 183 A CB -0.459 18.527 19.000 -0.024 0.000 0.805 183 A HN 2.549 nan 8.150 nan 0.000 0.449 184 G N -1.740 107.007 108.800 -0.088 0.000 2.173 184 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.142 184 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.142 184 G C 0.750 175.628 174.900 -0.037 0.000 1.019 184 G CA 0.475 45.519 45.100 -0.093 0.000 0.699 184 G HN 0.416 nan 8.290 nan 0.000 0.495 185 K N -0.085 120.308 120.400 -0.012 0.000 2.032 185 K HA -0.057 4.263 4.320 -0.000 0.000 0.209 185 K C 2.502 179.105 176.600 0.006 0.000 1.048 185 K CA 1.895 58.187 56.287 0.008 0.000 0.927 185 K CB -0.228 32.279 32.500 0.012 0.000 0.712 185 K HN 0.290 nan 8.250 nan 0.000 0.441 186 T N 1.210 115.763 114.554 -0.000 0.000 2.821 186 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 186 T C 1.570 176.269 174.700 -0.000 0.000 1.046 186 T CA 0.999 63.103 62.100 0.006 0.000 1.139 186 T CB -0.023 68.855 68.868 0.016 0.000 0.871 186 T HN 0.172 nan 8.240 nan 0.000 0.454 187 E N 1.590 121.776 120.200 -0.025 0.000 2.028 187 E HA -0.033 4.316 4.350 -0.000 0.000 0.191 187 E C 2.268 178.820 176.600 -0.080 0.000 0.988 187 E CA 0.746 57.106 56.400 -0.067 0.000 0.799 187 E CB -0.484 29.156 29.700 -0.101 0.000 0.755 187 E HN 0.445 nan 8.360 nan 0.000 0.447 188 N N 0.390 119.067 118.700 -0.038 0.000 2.166 188 N HA -0.102 4.638 4.740 -0.000 0.000 0.186 188 N C 1.806 177.333 175.510 0.027 0.000 1.019 188 N CA 1.300 54.353 53.050 0.004 0.000 0.856 188 N CB -0.209 38.313 38.487 0.059 0.000 0.993 188 N HN 0.141 nan 8.380 nan 0.000 0.426 189 T N 1.843 116.413 114.554 0.028 0.000 2.652 189 T HA -0.120 4.229 4.350 -0.000 0.000 0.267 189 T C 1.791 176.520 174.700 0.049 0.000 1.039 189 T CA 1.249 63.375 62.100 0.042 0.000 1.153 189 T CB -0.105 68.784 68.868 0.035 0.000 0.863 189 T HN 0.315 nan 8.240 nan 0.000 0.428 190 K N 0.593 121.012 120.400 0.032 0.000 2.281 190 K HA -0.085 4.235 4.320 -0.000 0.000 0.203 190 K C 2.270 178.909 176.600 0.064 0.000 1.046 190 K CA 0.796 57.106 56.287 0.038 0.000 0.938 190 K CB 0.033 32.541 32.500 0.013 0.000 0.737 190 K HN 0.146 nan 8.250 nan 0.000 0.458 191 K N 0.540 120.980 120.400 0.067 0.000 2.044 191 K HA -0.006 4.314 4.320 -0.000 0.000 0.204 191 K C 2.162 178.943 176.600 0.302 0.000 1.049 191 K CA 0.633 57.041 56.287 0.201 0.000 0.945 191 K CB -0.609 31.955 32.500 0.106 0.000 0.724 191 K HN -0.067 nan 8.250 nan 0.000 0.440 192 V N 2.057 122.089 119.914 0.197 0.000 2.324 192 V HA -0.250 3.869 4.120 -0.000 0.000 0.250 192 V C 2.307 178.509 176.094 0.181 0.000 1.060 192 V CA 1.671 64.084 62.300 0.187 0.000 1.042 192 V CB -0.412 31.485 31.823 0.124 0.000 0.650 192 V HN 0.188 nan 8.190 nan 0.000 0.450 193 I N -0.494 120.155 120.570 0.132 0.000 2.333 193 I HA -0.230 3.940 4.170 -0.000 0.000 0.246 193 I C 2.647 178.811 176.117 0.077 0.000 1.106 193 I CA 1.570 62.925 61.300 0.092 0.000 1.411 193 I CB -0.445 37.592 38.000 0.060 0.000 1.082 193 I HN 0.395 nan 8.210 nan 0.000 0.420 194 Q N 0.857 120.715 119.800 0.097 0.000 2.096 194 Q HA -0.310 4.029 4.340 -0.000 0.000 0.204 194 Q C 2.346 178.345 176.000 -0.002 0.000 0.982 194 Q CA 2.161 58.004 55.803 0.066 0.000 0.850 194 Q CB -0.456 28.356 28.738 0.125 0.000 0.901 194 Q HN 0.580 nan 8.270 nan 0.000 0.422 195 Y N 0.734 120.959 120.300 -0.126 0.000 2.200 195 Y HA -0.115 4.435 4.550 -0.000 0.000 0.290 195 Y C 1.894 177.677 175.900 -0.196 0.000 1.137 195 Y CA 1.427 59.338 58.100 -0.315 0.000 1.163 195 Y CB -0.043 38.152 38.460 -0.442 0.000 0.988 195 Y HN 0.102 nan 8.280 nan 0.000 0.518 196 L N -0.538 120.680 121.223 -0.009 0.000 2.056 196 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 196 L C 2.765 179.588 176.870 -0.078 0.000 1.078 196 L CA 1.069 55.886 54.840 -0.038 0.000 0.749 196 L CB -0.974 41.195 42.059 0.184 0.000 0.901 196 L HN 0.323 nan 8.230 nan 0.000 0.433 197 A N -0.577 122.213 122.820 -0.051 0.000 1.908 197 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 197 A C 2.548 180.072 177.584 -0.101 0.000 1.181 197 A CA 2.258 54.266 52.037 -0.048 0.000 0.627 197 A CB -0.617 18.365 19.000 -0.030 0.000 0.818 197 A HN 0.443 nan 8.150 nan 0.000 0.445 198 S N -0.300 115.285 115.700 -0.192 0.000 2.325 198 S HA -0.118 4.352 4.470 -0.000 0.000 0.214 198 S C 2.024 176.451 174.600 -0.288 0.000 1.031 198 S CA 1.866 59.935 58.200 -0.219 0.000 0.972 198 S CB -0.994 62.055 63.200 -0.253 0.000 0.908 198 S HN 1.118 nan 8.310 nan 0.000 0.453 199 V N -0.074 119.526 119.914 -0.522 0.000 3.026 199 V HA 0.318 4.438 4.120 -0.000 0.000 0.265 199 V C 1.678 177.527 176.094 -0.409 0.000 1.121 199 V CA 1.653 63.627 62.300 -0.543 0.000 1.142 199 V CB -0.972 30.322 31.823 -0.883 0.000 0.730 199 V HN 0.626 nan 8.190 nan 0.000 0.503 200 A N -0.310 122.348 122.820 -0.270 0.000 2.551 200 A HA 0.657 4.977 4.320 -0.000 0.000 0.252 200 A C 1.329 178.999 177.584 0.144 0.000 1.199 200 A CA 0.425 52.428 52.037 -0.056 0.000 0.972 200 A CB -0.279 18.761 19.000 0.067 0.000 1.153 200 A HN 0.790 nan 8.150 nan 0.000 0.559 201 G N 0.167 109.003 108.800 0.061 0.000 2.544 201 G HA2 0.414 4.374 3.960 -0.000 0.000 0.242 201 G HA3 0.414 4.374 3.960 -0.000 0.000 0.242 201 G C 0.130 175.107 174.900 0.128 0.000 1.247 201 G CA -0.326 44.824 45.100 0.083 0.000 0.840 201 G HN 0.336 nan 8.290 nan 0.000 0.578 202 R N -0.529 120.023 120.500 0.086 0.000 2.861 202 R HA 0.129 4.469 4.340 -0.000 0.000 0.268 202 R C 0.509 176.817 176.300 0.012 0.000 1.027 202 R CA 0.716 56.827 56.100 0.018 0.000 1.163 202 R CB 0.173 30.441 30.300 -0.054 0.000 1.060 202 R HN 0.849 nan 8.270 nan 0.000 0.483 203 N N -0.284 118.406 118.700 -0.016 0.000 2.785 203 N HA 0.234 4.974 4.740 -0.000 0.000 0.224 203 N C -1.417 174.079 175.510 -0.024 0.000 1.448 203 N CA -0.692 52.355 53.050 -0.005 0.000 0.748 203 N CB 0.866 39.370 38.487 0.028 0.000 1.385 203 N HN 0.437 nan 8.380 nan 0.000 0.538 204 Q N 0.024 119.803 119.800 -0.036 0.000 2.804 204 Q HA 0.561 4.901 4.340 -0.000 0.000 0.302 204 Q C -1.275 174.703 176.000 -0.037 0.000 0.885 204 Q CA -1.197 54.585 55.803 -0.034 0.000 0.759 204 Q CB 1.561 30.276 28.738 -0.038 0.000 1.465 204 Q HN 0.476 nan 8.270 nan 0.000 0.432 205 A N 1.787 124.587 122.820 -0.033 0.000 2.531 205 A HA 0.188 4.508 4.320 -0.000 0.000 0.236 205 A C 0.492 178.056 177.584 -0.034 0.000 1.062 205 A CA 0.874 52.894 52.037 -0.028 0.000 0.760 205 A CB -0.235 18.750 19.000 -0.024 0.000 0.995 205 A HN 0.778 nan 8.150 nan 0.000 0.501 206 N N 0.418 119.100 118.700 -0.029 0.000 2.714 206 N HA -0.159 4.581 4.740 -0.000 0.000 0.253 206 N C 0.615 176.104 175.510 -0.035 0.000 1.024 206 N CA 1.528 54.562 53.050 -0.028 0.000 0.726 206 N CB -1.188 37.285 38.487 -0.025 0.000 0.908 206 N HN 1.065 nan 8.380 nan 0.000 0.542 207 G N -1.231 107.545 108.800 -0.040 0.000 2.944 207 G HA2 0.089 4.049 3.960 -0.000 0.000 0.223 207 G HA3 0.089 4.049 3.960 -0.000 0.000 0.223 207 G C 0.223 175.106 174.900 -0.029 0.000 1.071 207 G CA 0.439 45.518 45.100 -0.035 0.000 0.806 207 G HN 0.725 nan 8.290 nan 0.000 0.538 208 S N 0.808 116.491 115.700 -0.029 0.000 2.671 208 S HA 0.403 4.873 4.470 -0.000 0.000 0.331 208 S C 1.397 175.988 174.600 -0.015 0.000 1.182 208 S CA 0.785 58.972 58.200 -0.022 0.000 1.276 208 S CB -0.677 62.510 63.200 -0.022 0.000 1.360 208 S HN 1.596 nan 8.310 nan 0.000 0.563 209 G N 2.823 111.616 108.800 -0.013 0.000 2.171 209 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.238 209 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.238 209 G C 0.445 175.336 174.900 -0.015 0.000 1.039 209 G CA 0.017 45.110 45.100 -0.013 0.000 0.759 209 G HN 0.959 nan 8.290 nan 0.000 0.501 210 V N -0.170 119.732 119.914 -0.020 0.000 2.273 210 V HA -0.004 4.116 4.120 -0.000 0.000 0.242 210 V C 2.627 178.705 176.094 -0.027 0.000 1.035 210 V CA 1.939 64.225 62.300 -0.023 0.000 1.013 210 V CB -0.809 30.997 31.823 -0.028 0.000 0.652 210 V HN 0.445 nan 8.190 nan 0.000 0.452 211 L N 0.871 122.075 121.223 -0.031 0.000 1.943 211 L HA -0.196 4.143 4.340 -0.000 0.000 0.215 211 L C 2.442 179.294 176.870 -0.031 0.000 1.074 211 L CA 2.224 57.042 54.840 -0.036 0.000 0.759 211 L CB -1.085 40.952 42.059 -0.036 0.000 0.888 211 L HN 0.345 nan 8.230 nan 0.000 0.433 212 E N -0.543 119.642 120.200 -0.024 0.000 2.136 212 E HA -0.352 3.997 4.350 -0.000 0.000 0.208 212 E C 2.228 178.819 176.600 -0.015 0.000 1.035 212 E CA 2.109 58.498 56.400 -0.019 0.000 0.838 212 E CB -0.385 29.308 29.700 -0.012 0.000 0.748 212 E HN 0.603 nan 8.360 nan 0.000 0.459 213 Q N 0.156 119.948 119.800 -0.012 0.000 2.224 213 Q HA -0.111 4.228 4.340 -0.000 0.000 0.203 213 Q C 1.879 177.876 176.000 -0.005 0.000 0.970 213 Q CA 1.403 57.203 55.803 -0.005 0.000 0.865 213 Q CB 0.121 28.857 28.738 -0.004 0.000 0.922 213 Q HN 0.374 nan 8.270 nan 0.000 0.445 214 Q N -0.577 119.214 119.800 -0.015 0.000 2.083 214 Q HA -0.076 4.264 4.340 -0.000 0.000 0.198 214 Q C 1.899 177.889 176.000 -0.016 0.000 0.969 214 Q CA 1.101 56.894 55.803 -0.017 0.000 0.838 214 Q CB -0.005 28.711 28.738 -0.036 0.000 0.900 214 Q HN 0.420 nan 8.270 nan 0.000 0.436 215 I N 0.772 121.327 120.570 -0.024 0.000 2.145 215 I HA -0.305 3.865 4.170 -0.000 0.000 0.244 215 I C 2.171 178.286 176.117 -0.002 0.000 1.075 215 I CA 1.310 62.596 61.300 -0.024 0.000 1.332 215 I CB -0.906 37.073 38.000 -0.035 0.000 1.033 215 I HN 0.259 nan 8.210 nan 0.000 0.410 216 L N 0.358 121.584 121.223 0.005 0.000 2.027 216 L HA -0.162 4.178 4.340 -0.000 0.000 0.206 216 L C 2.466 179.354 176.870 0.031 0.000 1.074 216 L CA 1.722 56.575 54.840 0.021 0.000 0.745 216 L CB -1.120 40.951 42.059 0.020 0.000 0.898 216 L HN 0.278 nan 8.230 nan 0.000 0.433 217 Q N -0.944 118.871 119.800 0.026 0.000 2.515 217 Q HA 0.082 4.421 4.340 -0.000 0.000 0.212 217 Q C 2.097 178.124 176.000 0.045 0.000 0.970 217 Q CA 0.864 56.689 55.803 0.037 0.000 0.941 217 Q CB -0.305 28.452 28.738 0.032 0.000 0.998 217 Q HN 0.505 nan 8.270 nan 0.000 0.518 218 A N 0.737 123.579 122.820 0.036 0.000 1.970 218 A HA -0.168 4.151 4.320 -0.000 0.000 0.216 218 A C 1.977 179.599 177.584 0.065 0.000 1.170 218 A CA 1.395 53.454 52.037 0.036 0.000 0.645 218 A CB -0.467 18.539 19.000 0.010 0.000 0.816 218 A HN 0.447 nan 8.150 nan 0.000 0.447 219 N N 0.391 119.142 118.700 0.084 0.000 2.058 219 N HA -0.096 4.644 4.740 -0.000 0.000 0.191 219 N C -1.140 174.463 175.510 0.154 0.000 1.037 219 N CA 2.016 55.144 53.050 0.130 0.000 0.848 219 N CB -0.754 37.801 38.487 0.114 0.000 1.021 219 N HN 0.235 nan 8.380 nan 0.000 0.422 220 P HA -0.095 nan 4.420 nan 0.000 0.221 220 P C 1.028 178.423 177.300 0.158 0.000 1.145 220 P CA 0.740 63.920 63.100 0.134 0.000 0.795 220 P CB 0.022 31.777 31.700 0.092 0.000 0.775 221 I N -0.928 119.723 120.570 0.134 0.000 2.133 221 I HA -0.164 4.006 4.170 -0.000 0.000 0.238 221 I C 2.320 178.581 176.117 0.240 0.000 1.074 221 I CA 1.400 62.787 61.300 0.144 0.000 1.342 221 I CB -1.645 36.369 38.000 0.024 0.000 1.053 221 I HN -0.031 nan 8.210 nan 0.000 0.404 222 L N -0.053 121.270 121.223 0.167 0.000 2.201 222 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 222 L C 2.351 179.492 176.870 0.452 0.000 1.105 222 L CA 0.980 55.943 54.840 0.204 0.000 0.775 222 L CB -0.521 41.645 42.059 0.178 0.000 0.913 222 L HN 0.319 nan 8.230 nan 0.000 0.440 223 E N 0.359 120.807 120.200 0.413 0.000 2.152 223 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 223 E C 2.327 179.185 176.600 0.431 0.000 0.983 223 E CA 0.927 57.596 56.400 0.448 0.000 0.818 223 E CB -0.018 29.890 29.700 0.347 0.000 0.758 223 E HN 0.467 nan 8.360 nan 0.000 0.467 224 A N 0.354 123.376 122.820 0.336 0.000 1.972 224 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 224 A C 1.657 179.293 177.584 0.088 0.000 1.169 224 A CA 1.128 53.291 52.037 0.209 0.000 0.635 224 A CB -0.396 18.621 19.000 0.028 0.000 0.810 224 A HN 0.173 nan 8.150 nan 0.000 0.446 225 F N -1.201 118.896 119.950 0.245 0.000 2.582 225 F HA 0.233 4.760 4.527 -0.000 0.000 0.290 225 F C 2.328 178.185 175.800 0.095 0.000 1.115 225 F CA 0.710 58.826 58.000 0.192 0.000 1.445 225 F CB 0.082 39.145 39.000 0.105 0.000 1.126 225 F HN 0.273 nan 8.300 nan 0.000 0.574 226 G N -1.044 108.014 108.800 0.430 0.000 3.020 226 G HA2 0.077 4.037 3.960 -0.000 0.000 0.217 226 G HA3 0.077 4.037 3.960 -0.000 0.000 0.217 226 G C -0.035 175.262 174.900 0.663 0.000 1.144 226 G CA -0.019 45.275 45.100 0.323 0.000 0.760 226 G HN 0.097 nan 8.290 nan 0.000 0.548 227 N N -0.081 118.914 118.700 0.492 0.000 2.272 227 N HA 0.768 5.508 4.740 -0.000 0.000 0.305 227 N C -0.502 174.819 175.510 -0.315 0.000 1.103 227 N CA -0.113 53.055 53.050 0.196 0.000 0.791 227 N CB 2.260 40.891 38.487 0.241 0.000 1.356 227 N HN 0.207 nan 8.380 nan 0.000 0.486 228 A N 0.247 122.875 122.820 -0.320 0.000 2.602 228 A HA 0.543 4.863 4.320 -0.000 0.000 0.290 228 A C -1.230 176.291 177.584 -0.105 0.000 1.114 228 A CA -0.770 51.016 52.037 -0.420 0.000 0.683 228 A CB 1.125 19.862 19.000 -0.438 0.000 1.281 228 A HN 0.532 nan 8.150 nan 0.000 0.416 229 K N 1.251 121.632 120.400 -0.033 0.000 2.349 229 K HA 0.425 4.745 4.320 -0.000 0.000 0.289 229 K C 0.149 176.700 176.600 -0.080 0.000 1.064 229 K CA 0.491 56.774 56.287 -0.006 0.000 0.947 229 K CB 0.245 32.730 32.500 -0.025 0.000 1.007 229 K HN 0.891 nan 8.250 nan 0.000 0.478 230 T N -0.185 114.347 114.554 -0.037 0.000 2.922 230 T HA 0.135 4.485 4.350 -0.000 0.000 0.281 230 T C 1.370 176.053 174.700 -0.029 0.000 1.005 230 T CA -0.287 61.770 62.100 -0.071 0.000 0.982 230 T CB 1.215 70.106 68.868 0.038 0.000 1.158 230 T HN 0.585 nan 8.240 nan 0.000 0.566 231 T N -1.708 112.824 114.554 -0.036 0.000 3.098 231 T HA 0.065 4.415 4.350 -0.000 0.000 0.266 231 T C 1.516 176.273 174.700 0.095 0.000 1.145 231 T CA 0.423 62.534 62.100 0.018 0.000 1.092 231 T CB -0.284 68.600 68.868 0.027 0.000 0.908 231 T HN 0.661 nan 8.240 nan 0.000 0.526 232 R N 0.244 120.841 120.500 0.161 0.000 2.344 232 R HA 0.340 4.680 4.340 -0.000 0.000 0.209 232 R C -0.109 176.266 176.300 0.125 0.000 0.886 232 R CA -0.060 56.125 56.100 0.141 0.000 1.040 232 R CB 0.442 30.838 30.300 0.161 0.000 1.114 232 R HN 0.270 nan 8.270 nan 0.000 0.547 233 N N -0.216 118.554 118.700 0.116 0.000 2.537 233 N HA 0.094 4.834 4.740 -0.000 0.000 0.281 233 N C -0.930 174.641 175.510 0.103 0.000 1.097 233 N CA -0.328 52.798 53.050 0.127 0.000 0.964 233 N CB 0.969 39.538 38.487 0.137 0.000 1.588 233 N HN -0.124 nan 8.380 nan 0.000 0.511 234 N N 1.605 120.364 118.700 0.098 0.000 2.364 234 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 234 N C -0.162 175.442 175.510 0.158 0.000 1.022 234 N CA 0.617 53.719 53.050 0.085 0.000 0.883 234 N CB 0.046 38.563 38.487 0.050 0.000 0.965 234 N HN 0.402 nan 8.380 nan 0.000 0.438 235 N N 0.112 118.916 118.700 0.173 0.000 2.599 235 N HA 0.072 4.812 4.740 -0.000 0.000 0.309 235 N C -1.336 174.285 175.510 0.184 0.000 1.743 235 N CA -0.179 53.022 53.050 0.252 0.000 0.918 235 N CB 0.412 39.022 38.487 0.205 0.000 1.339 235 N HN -0.135 nan 8.380 nan 0.000 0.493 236 S N -0.143 115.635 115.700 0.131 0.000 2.537 236 S HA 0.130 4.600 4.470 -0.000 0.000 0.286 236 S C 0.056 174.712 174.600 0.093 0.000 1.299 236 S CA -0.163 58.094 58.200 0.095 0.000 1.067 236 S CB 0.109 63.356 63.200 0.079 0.000 0.864 236 S HN 0.349 nan 8.310 nan 0.000 0.494 237 S N 5.378 121.114 115.700 0.060 0.000 2.429 237 S HA 0.196 4.666 4.470 -0.000 0.000 0.292 237 S C 0.672 175.294 174.600 0.036 0.000 1.183 237 S CA -0.625 57.580 58.200 0.007 0.000 1.088 237 S CB 0.175 63.279 63.200 -0.160 0.000 1.018 237 S HN 0.546 nan 8.310 nan 0.000 0.511 238 R N 2.427 123.048 120.500 0.203 0.000 2.449 238 R HA 0.253 4.592 4.340 -0.000 0.000 0.262 238 R C -0.367 176.105 176.300 0.286 0.000 1.006 238 R CA -0.130 56.102 56.100 0.219 0.000 1.104 238 R CB -1.114 29.340 30.300 0.256 0.000 1.206 238 R HN 0.651 nan 8.270 nan 0.000 0.538 239 F N -3.708 116.275 119.950 0.055 0.000 2.654 239 F HA 0.741 5.268 4.527 -0.000 0.000 0.308 239 F C -0.188 175.690 175.800 0.129 0.000 1.108 239 F CA -1.842 56.183 58.000 0.043 0.000 0.957 239 F CB 0.723 39.688 39.000 -0.059 0.000 1.309 239 F HN -0.089 nan 8.300 nan 0.000 0.446 240 G N 1.530 110.399 108.800 0.115 0.000 2.437 240 G HA2 0.624 4.583 3.960 -0.000 0.000 0.319 240 G HA3 0.624 4.583 3.960 -0.000 0.000 0.319 240 G C -1.708 173.384 174.900 0.320 0.000 1.158 240 G CA -0.983 44.158 45.100 0.068 0.000 0.899 240 G HN 1.066 nan 8.290 nan 0.000 0.502 241 K N -0.248 120.289 120.400 0.230 0.000 2.542 241 K HA 0.540 4.859 4.320 -0.000 0.000 0.259 241 K C -2.252 174.567 176.600 0.365 0.000 0.932 241 K CA -0.950 55.593 56.287 0.428 0.000 0.820 241 K CB 2.111 34.837 32.500 0.378 0.000 1.345 241 K HN 0.298 nan 8.250 nan 0.000 0.432 242 F N 4.620 124.757 119.950 0.311 0.000 2.375 242 F HA 0.454 4.981 4.527 -0.000 0.000 0.361 242 F C -0.959 174.931 175.800 0.150 0.000 1.117 242 F CA -1.426 56.690 58.000 0.193 0.000 1.037 242 F CB 0.866 39.994 39.000 0.213 0.000 1.192 242 F HN 0.412 nan 8.300 nan 0.000 0.452 243 I N 5.278 125.614 120.570 -0.389 0.000 2.321 243 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 243 I C -0.021 175.778 176.117 -0.530 0.000 0.998 243 I CA -0.504 60.610 61.300 -0.309 0.000 1.227 243 I CB 1.232 39.157 38.000 -0.126 0.000 1.368 243 I HN 0.569 nan 8.210 nan 0.000 0.466 244 E N 5.931 125.908 120.200 -0.372 0.000 2.130 244 E HA 0.338 4.688 4.350 -0.000 0.000 0.284 244 E C -0.642 175.875 176.600 -0.138 0.000 1.018 244 E CA -0.538 55.696 56.400 -0.277 0.000 0.817 244 E CB 1.296 30.803 29.700 -0.322 0.000 1.078 244 E HN 0.331 nan 8.360 nan 0.000 0.396 245 I N 4.191 124.734 120.570 -0.045 0.000 2.315 245 I HA 0.130 4.300 4.170 -0.000 0.000 0.291 245 I C 0.134 176.059 176.117 -0.321 0.000 1.006 245 I CA -0.207 60.993 61.300 -0.165 0.000 1.265 245 I CB 1.111 39.054 38.000 -0.096 0.000 1.387 245 I HN 0.456 nan 8.210 nan 0.000 0.475 246 Q N 5.733 125.259 119.800 -0.458 0.000 2.306 246 Q HA 0.694 5.033 4.340 -0.000 0.000 0.265 246 Q C -1.380 174.261 176.000 -0.598 0.000 1.022 246 Q CA -0.470 55.143 55.803 -0.316 0.000 0.853 246 Q CB 2.507 31.196 28.738 -0.083 0.000 1.327 246 Q HN 0.372 nan 8.270 nan 0.000 0.449 247 F N 0.181 120.249 119.950 0.197 0.000 2.640 247 F HA 0.421 4.948 4.527 -0.000 0.000 0.324 247 F C 0.209 176.116 175.800 0.179 0.000 1.077 247 F CA -1.232 56.884 58.000 0.193 0.000 0.965 247 F CB 1.000 40.123 39.000 0.205 0.000 1.351 247 F HN 0.573 nan 8.300 nan 0.000 0.487 248 N N -1.171 117.759 118.700 0.385 0.000 2.538 248 N HA 0.268 5.007 4.740 -0.000 0.000 0.292 248 N C 0.295 175.964 175.510 0.264 0.000 1.262 248 N CA -0.480 52.725 53.050 0.258 0.000 0.976 248 N CB 0.171 38.804 38.487 0.243 0.000 1.161 248 N HN 0.458 nan 8.380 nan 0.000 0.598 249 S N -1.391 114.414 115.700 0.176 0.000 2.442 249 S HA -0.085 4.385 4.470 -0.000 0.000 0.236 249 S C 1.681 176.377 174.600 0.160 0.000 1.007 249 S CA 0.797 59.108 58.200 0.186 0.000 0.965 249 S CB -0.712 62.551 63.200 0.105 0.000 0.773 249 S HN 0.753 nan 8.310 nan 0.000 0.504 250 A N 0.827 123.743 122.820 0.161 0.000 2.067 250 A HA 0.486 4.805 4.320 -0.000 0.000 0.217 250 A C 1.887 179.371 177.584 -0.168 0.000 1.156 250 A CA 0.966 53.054 52.037 0.084 0.000 0.683 250 A CB -0.732 18.474 19.000 0.343 0.000 0.808 250 A HN 1.104 nan 8.150 nan 0.000 0.455 251 G N -2.582 106.176 108.800 -0.069 0.000 2.179 251 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.220 251 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.220 251 G C -0.036 174.841 174.900 -0.038 0.000 0.990 251 G CA -0.045 44.941 45.100 -0.190 0.000 0.646 251 G HN 0.308 nan 8.290 nan 0.000 0.517 252 F N 0.643 120.758 119.950 0.275 0.000 2.371 252 F HA 0.642 5.169 4.527 -0.000 0.000 0.329 252 F C 1.355 177.368 175.800 0.354 0.000 1.107 252 F CA -1.112 57.055 58.000 0.278 0.000 1.137 252 F CB 0.703 39.792 39.000 0.147 0.000 1.214 252 F HN -0.067 nan 8.300 nan 0.000 0.536 253 I N 1.927 122.764 120.570 0.445 0.000 2.581 253 I HA -0.041 4.129 4.170 -0.000 0.000 0.285 253 I C 0.957 177.121 176.117 0.077 0.000 1.129 253 I CA 0.346 61.728 61.300 0.138 0.000 1.397 253 I CB 0.514 38.528 38.000 0.024 0.000 1.399 253 I HN 0.744 nan 8.210 nan 0.000 0.537 254 S N 3.744 119.455 115.700 0.018 0.000 2.503 254 S HA 0.439 4.908 4.470 -0.000 0.000 0.217 254 S C 0.734 175.308 174.600 -0.044 0.000 0.999 254 S CA 0.159 58.371 58.200 0.019 0.000 0.914 254 S CB 0.589 63.822 63.200 0.055 0.000 0.782 254 S HN 0.875 nan 8.310 nan 0.000 0.520 255 G N -0.060 108.675 108.800 -0.108 0.000 2.333 255 G HA2 0.579 4.539 3.960 -0.000 0.000 0.288 255 G HA3 0.579 4.539 3.960 -0.000 0.000 0.288 255 G C -1.892 172.916 174.900 -0.153 0.000 1.286 255 G CA -0.249 44.784 45.100 -0.111 0.000 0.865 255 G HN 1.027 nan 8.290 nan 0.000 0.506 256 A N -1.195 121.550 122.820 -0.124 0.000 2.604 256 A HA 0.918 5.238 4.320 -0.000 0.000 0.295 256 A C -0.765 176.753 177.584 -0.110 0.000 1.067 256 A CA 0.253 52.214 52.037 -0.127 0.000 0.683 256 A CB 1.565 20.495 19.000 -0.117 0.000 1.281 256 A HN 1.793 nan 8.150 nan 0.000 0.407 257 S N 0.004 115.634 115.700 -0.116 0.000 2.571 257 S HA 0.684 5.154 4.470 -0.000 0.000 0.284 257 S C -1.349 173.206 174.600 -0.076 0.000 1.128 257 S CA -0.322 57.819 58.200 -0.098 0.000 0.970 257 S CB 0.634 63.771 63.200 -0.105 0.000 1.039 257 S HN 0.531 nan 8.310 nan 0.000 0.485 258 I N 3.698 124.241 120.570 -0.046 0.000 2.355 258 I HA 0.429 4.598 4.170 -0.000 0.000 0.288 258 I C -0.067 176.073 176.117 0.037 0.000 0.999 258 I CA -0.319 60.988 61.300 0.010 0.000 1.163 258 I CB 1.641 39.653 38.000 0.019 0.000 1.316 258 I HN 0.457 nan 8.210 nan 0.000 0.454 259 Q N 5.160 125.035 119.800 0.125 0.000 2.314 259 Q HA 0.568 4.908 4.340 -0.000 0.000 0.259 259 Q C -0.535 175.516 176.000 0.087 0.000 0.951 259 Q CA -0.420 55.424 55.803 0.068 0.000 0.909 259 Q CB 1.207 30.030 28.738 0.143 0.000 1.236 259 Q HN 0.739 nan 8.270 nan 0.000 0.444 260 S N 3.226 118.918 115.700 -0.013 0.000 2.617 260 S HA 0.684 5.153 4.470 -0.000 0.000 0.283 260 S C -0.944 173.620 174.600 -0.061 0.000 1.189 260 S CA -0.536 57.788 58.200 0.207 0.000 1.036 260 S CB 0.718 64.117 63.200 0.332 0.000 1.014 260 S HN 0.528 nan 8.310 nan 0.000 0.522 261 Y N 0.643 121.143 120.300 0.334 0.000 2.386 261 Y HA 0.521 5.070 4.550 -0.000 0.000 0.334 261 Y C -0.095 175.894 175.900 0.149 0.000 1.002 261 Y CA -1.343 56.908 58.100 0.251 0.000 1.068 261 Y CB 1.646 40.273 38.460 0.278 0.000 1.203 261 Y HN 0.789 nan 8.280 nan 0.000 0.443 262 L N 3.007 124.320 121.223 0.151 0.000 3.713 262 L HA -0.228 4.112 4.340 -0.000 0.000 0.499 262 L C -0.958 175.915 176.870 0.004 0.000 1.281 262 L CA 0.227 55.027 54.840 -0.067 0.000 0.796 262 L CB -0.672 41.184 42.059 -0.338 0.000 1.535 262 L HN 0.607 nan 8.230 nan 0.000 0.851 263 L N 1.290 122.524 121.223 0.019 0.000 2.499 263 L HA 0.099 4.439 4.340 -0.000 0.000 0.273 263 L C 1.182 178.058 176.870 0.011 0.000 1.195 263 L CA 0.721 55.543 54.840 -0.030 0.000 0.882 263 L CB 0.618 42.516 42.059 -0.267 0.000 1.133 263 L HN 0.421 nan 8.230 nan 0.000 0.483 264 E N 4.580 124.834 120.200 0.089 0.000 1.842 264 E HA -0.021 4.329 4.350 -0.000 0.000 0.278 264 E C 0.485 177.172 176.600 0.145 0.000 1.171 264 E CA -0.066 56.394 56.400 0.100 0.000 1.127 264 E CB 0.223 29.987 29.700 0.106 0.000 1.100 264 E HN 0.699 nan 8.360 nan 0.000 0.456 265 K N 0.357 120.809 120.400 0.086 0.000 2.365 265 K HA -0.080 4.240 4.320 -0.000 0.000 0.199 265 K C 1.666 178.297 176.600 0.051 0.000 1.045 265 K CA 0.962 57.303 56.287 0.090 0.000 0.962 265 K CB 0.084 32.627 32.500 0.072 0.000 0.759 265 K HN 0.200 nan 8.250 nan 0.000 0.469 266 S N 1.715 117.444 115.700 0.048 0.000 2.474 266 S HA -0.144 4.326 4.470 -0.000 0.000 0.235 266 S C 2.040 176.647 174.600 0.012 0.000 0.997 266 S CA 0.742 58.965 58.200 0.038 0.000 0.949 266 S CB -0.270 62.974 63.200 0.074 0.000 0.766 266 S HN 0.386 nan 8.310 nan 0.000 0.517 267 R N 1.307 121.793 120.500 -0.023 0.000 2.127 267 R HA -0.056 4.284 4.340 -0.000 0.000 0.238 267 R C 1.805 177.957 176.300 -0.247 0.000 1.134 267 R CA 1.505 57.501 56.100 -0.174 0.000 0.975 267 R CB -0.683 29.377 30.300 -0.401 0.000 0.865 267 R HN 0.381 nan 8.270 nan 0.000 0.447 268 V N 0.535 120.327 119.914 -0.202 0.000 2.392 268 V HA -0.219 3.901 4.120 -0.000 0.000 0.249 268 V C 2.148 177.831 176.094 -0.686 0.000 1.059 268 V CA 1.836 63.897 62.300 -0.399 0.000 1.051 268 V CB -0.183 31.431 31.823 -0.349 0.000 0.658 268 V HN 0.513 nan 8.190 nan 0.000 0.455 269 V N -4.690 114.923 119.914 -0.502 0.000 3.661 269 V HA 0.423 4.543 4.120 -0.000 0.000 0.271 269 V C 0.223 176.281 176.094 -0.060 0.000 1.315 269 V CA 0.044 62.002 62.300 -0.571 0.000 1.072 269 V CB 0.240 31.893 31.823 -0.283 0.000 0.830 269 V HN 0.314 nan 8.190 nan 0.000 0.443 270 F N 1.397 121.236 119.950 -0.186 0.000 2.591 270 F HA 0.827 5.353 4.527 -0.000 0.000 0.309 270 F C -1.453 174.272 175.800 -0.125 0.000 1.098 270 F CA -0.807 57.136 58.000 -0.096 0.000 0.937 270 F CB 2.202 41.170 39.000 -0.054 0.000 1.250 270 F HN 0.044 nan 8.300 nan 0.000 0.447 271 Q N 3.263 122.357 119.800 -1.175 0.000 2.271 271 Q HA 0.458 4.798 4.340 -0.000 0.000 0.268 271 Q C -0.665 174.602 176.000 -1.222 0.000 1.021 271 Q CA -0.812 54.354 55.803 -1.062 0.000 0.802 271 Q CB 2.221 30.658 28.738 -0.501 0.000 1.282 271 Q HN 0.665 nan 8.270 nan 0.000 0.431 272 S N 1.067 116.167 115.700 -1.000 0.000 2.572 272 S HA -0.022 4.448 4.470 -0.000 0.000 0.267 272 S C 0.131 174.543 174.600 -0.314 0.000 1.361 272 S CA -0.468 57.445 58.200 -0.478 0.000 1.009 272 S CB 0.343 63.365 63.200 -0.297 0.000 0.888 272 S HN 0.642 nan 8.310 nan 0.000 0.553 273 E N 0.689 120.786 120.200 -0.171 0.000 2.465 273 E HA 0.027 4.377 4.350 -0.000 0.000 0.260 273 E C 0.907 177.426 176.600 -0.134 0.000 0.980 273 E CA 0.977 57.303 56.400 -0.123 0.000 0.927 273 E CB 0.044 29.705 29.700 -0.066 0.000 0.934 273 E HN 0.903 nan 8.360 nan 0.000 0.459 274 T N -0.057 114.425 114.554 -0.120 0.000 6.424 274 T HA -0.257 4.093 4.350 -0.000 0.000 0.279 274 T C 0.104 174.722 174.700 -0.136 0.000 2.176 274 T CA 1.349 63.383 62.100 -0.109 0.000 3.628 274 T CB -1.639 67.175 68.868 -0.089 0.000 1.165 274 T HN 0.620 nan 8.240 nan 0.000 1.080 275 E N 1.039 121.131 120.200 -0.181 0.000 2.351 275 E HA 0.642 4.991 4.350 -0.000 0.000 0.255 275 E C 0.493 176.985 176.600 -0.180 0.000 1.188 275 E CA -0.936 55.344 56.400 -0.200 0.000 0.940 275 E CB 0.712 30.244 29.700 -0.281 0.000 1.094 275 E HN 0.403 nan 8.360 nan 0.000 0.474 276 R N 0.676 121.074 120.500 -0.171 0.000 2.892 276 R HA 0.291 4.631 4.340 -0.000 0.000 0.265 276 R C 0.156 176.414 176.300 -0.069 0.000 1.025 276 R CA -0.930 55.107 56.100 -0.105 0.000 0.982 276 R CB 1.014 31.178 30.300 -0.228 0.000 1.185 276 R HN 0.439 nan 8.270 nan 0.000 0.484 277 N N 0.300 119.081 118.700 0.135 0.000 2.290 277 N HA 0.006 4.746 4.740 -0.000 0.000 0.269 277 N C -0.580 174.971 175.510 0.067 0.000 1.295 277 N CA 0.243 53.267 53.050 -0.043 0.000 0.932 277 N CB 0.140 38.506 38.487 -0.201 0.000 1.128 277 N HN 0.233 nan 8.380 nan 0.000 0.532 278 Y N 0.838 121.270 120.300 0.219 0.000 2.578 278 Y HA -0.021 4.529 4.550 -0.000 0.000 0.339 278 Y C 1.965 178.049 175.900 0.307 0.000 1.231 278 Y CA 0.163 58.371 58.100 0.181 0.000 1.461 278 Y CB 0.286 38.870 38.460 0.207 0.000 1.323 278 Y HN 0.508 nan 8.280 nan 0.000 0.590 279 H N 1.595 120.904 119.070 0.398 0.000 2.387 279 H HA -0.183 4.373 4.556 -0.000 0.000 0.299 279 H C 2.189 177.650 175.328 0.221 0.000 1.099 279 H CA 1.960 58.196 56.048 0.312 0.000 1.315 279 H CB -0.267 29.605 29.762 0.183 0.000 1.380 279 H HN 0.741 nan 8.280 nan 0.000 0.513 280 I N 0.559 121.202 120.570 0.122 0.000 2.264 280 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 280 I C 1.819 177.819 176.117 -0.195 0.000 1.111 280 I CA 1.019 62.196 61.300 -0.205 0.000 1.382 280 I CB -0.427 37.101 38.000 -0.786 0.000 1.060 280 I HN -0.075 nan 8.210 nan 0.000 0.418 281 F N -0.265 119.635 119.950 -0.083 0.000 2.102 281 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 281 F C 2.134 177.692 175.800 -0.403 0.000 1.105 281 F CA 1.964 59.778 58.000 -0.309 0.000 1.239 281 F CB -1.108 37.590 39.000 -0.502 0.000 0.991 281 F HN 0.098 nan 8.300 nan 0.000 0.474 282 Y N -0.477 119.879 120.300 0.094 0.000 2.314 282 Y HA -0.140 4.410 4.550 -0.000 0.000 0.293 282 Y C 2.405 178.229 175.900 -0.127 0.000 1.129 282 Y CA 0.793 58.889 58.100 -0.008 0.000 1.201 282 Y CB -0.972 37.507 38.460 0.032 0.000 0.999 282 Y HN 0.104 nan 8.280 nan 0.000 0.541 283 Q N -0.137 119.663 119.800 0.000 0.000 2.084 283 Q HA -0.186 4.153 4.340 -0.000 0.000 0.202 283 Q C 2.237 177.696 176.000 -0.901 0.000 0.978 283 Q CA 1.666 57.364 55.803 -0.176 0.000 0.844 283 Q CB -0.358 28.453 28.738 0.121 0.000 0.898 283 Q HN 0.480 nan 8.270 nan 0.000 0.426 284 L N 0.597 121.262 121.223 -0.930 0.000 1.976 284 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 284 L C 1.971 178.357 176.870 -0.807 0.000 1.071 284 L CA 1.660 55.716 54.840 -1.306 0.000 0.746 284 L CB -0.515 41.219 42.059 -0.542 0.000 0.890 284 L HN 0.189 nan 8.230 nan 0.000 0.432 285 L N -0.380 120.585 121.223 -0.430 0.000 2.187 285 L HA -0.191 4.149 4.340 -0.000 0.000 0.213 285 L C 2.437 179.187 176.870 -0.201 0.000 1.100 285 L CA 1.168 55.868 54.840 -0.233 0.000 0.765 285 L CB -0.951 41.030 42.059 -0.130 0.000 0.904 285 L HN 0.497 nan 8.230 nan 0.000 0.437 286 A N -0.753 121.907 122.820 -0.268 0.000 2.063 286 A HA 0.233 4.553 4.320 -0.000 0.000 0.211 286 A C 2.151 179.609 177.584 -0.211 0.000 1.177 286 A CA 0.818 52.752 52.037 -0.171 0.000 0.759 286 A CB -0.178 18.765 19.000 -0.095 0.000 0.857 286 A HN 0.363 nan 8.150 nan 0.000 0.468 287 G N -0.805 107.723 108.800 -0.453 0.000 2.939 287 G HA2 0.444 4.404 3.960 -0.000 0.000 0.216 287 G HA3 0.444 4.404 3.960 -0.000 0.000 0.216 287 G C 0.675 175.521 174.900 -0.090 0.000 1.125 287 G CA 0.705 45.660 45.100 -0.242 0.000 0.766 287 G HN 0.678 nan 8.290 nan 0.000 0.541 288 A N 0.989 123.637 122.820 -0.287 0.000 2.386 288 A HA 0.559 4.878 4.320 -0.000 0.000 0.248 288 A C 1.056 178.647 177.584 0.012 0.000 1.082 288 A CA 0.382 52.404 52.037 -0.025 0.000 0.789 288 A CB -0.025 18.926 19.000 -0.081 0.000 1.025 288 A HN 0.555 nan 8.150 nan 0.000 0.490 289 T N -1.083 113.502 114.554 0.053 0.000 2.856 289 T HA 0.405 4.755 4.350 -0.000 0.000 0.306 289 T C 1.286 175.997 174.700 0.018 0.000 1.062 289 T CA 0.032 62.153 62.100 0.036 0.000 1.083 289 T CB 0.912 69.806 68.868 0.045 0.000 0.984 289 T HN 1.309 nan 8.240 nan 0.000 0.542 290 A N 0.707 123.534 122.820 0.012 0.000 2.024 290 A HA -0.095 4.224 4.320 -0.000 0.000 0.220 290 A C 2.283 179.869 177.584 0.003 0.000 1.164 290 A CA 1.797 53.837 52.037 0.005 0.000 0.643 290 A CB -1.025 17.977 19.000 0.004 0.000 0.806 290 A HN 1.063 nan 8.150 nan 0.000 0.451 291 E N 0.684 120.889 120.200 0.009 0.000 2.007 291 E HA -0.279 4.070 4.350 -0.000 0.000 0.194 291 E C 1.723 178.329 176.600 0.011 0.000 0.999 291 E CA 1.616 58.021 56.400 0.008 0.000 0.811 291 E CB -0.463 29.248 29.700 0.018 0.000 0.762 291 E HN 0.742 nan 8.360 nan 0.000 0.450 292 E N 1.049 121.268 120.200 0.032 0.000 2.118 292 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 292 E C 2.250 178.869 176.600 0.032 0.000 0.992 292 E CA 1.004 57.433 56.400 0.049 0.000 0.804 292 E CB -0.268 29.484 29.700 0.086 0.000 0.741 292 E HN 0.246 nan 8.360 nan 0.000 0.458 293 K N 1.492 121.903 120.400 0.018 0.000 2.127 293 K HA -0.229 4.091 4.320 -0.000 0.000 0.208 293 K C 1.946 178.544 176.600 -0.002 0.000 1.047 293 K CA 1.486 57.782 56.287 0.016 0.000 0.927 293 K CB 0.060 32.565 32.500 0.008 0.000 0.716 293 K HN -0.005 nan 8.250 nan 0.000 0.450 294 K N -0.699 119.678 120.400 -0.038 0.000 2.076 294 K HA 0.001 4.321 4.320 -0.000 0.000 0.204 294 K C 2.028 178.491 176.600 -0.227 0.000 1.051 294 K CA 0.845 57.067 56.287 -0.109 0.000 0.949 294 K CB 0.032 32.486 32.500 -0.076 0.000 0.726 294 K HN 0.151 nan 8.250 nan 0.000 0.443 295 A N 0.891 123.638 122.820 -0.122 0.000 1.969 295 A HA -0.051 4.268 4.320 -0.000 0.000 0.218 295 A C 1.689 179.246 177.584 -0.043 0.000 1.169 295 A CA 1.103 53.079 52.037 -0.103 0.000 0.635 295 A CB -0.265 18.736 19.000 0.002 0.000 0.810 295 A HN 0.180 nan 8.150 nan 0.000 0.445 296 L N -1.118 120.131 121.223 0.043 0.000 2.700 296 L HA 0.168 4.508 4.340 -0.000 0.000 0.234 296 L C 0.010 177.125 176.870 0.409 0.000 1.156 296 L CA -0.168 54.815 54.840 0.238 0.000 0.946 296 L CB -0.546 41.617 42.059 0.173 0.000 1.216 296 L HN 0.527 nan 8.230 nan 0.000 0.493 297 H N -0.907 118.260 119.070 0.162 0.000 2.776 297 H HA -0.155 4.401 4.556 -0.000 0.000 0.300 297 H C 0.402 175.922 175.328 0.320 0.000 1.161 297 H CA 0.246 56.404 56.048 0.184 0.000 1.147 297 H CB -1.794 28.007 29.762 0.066 0.000 1.366 297 H HN 0.342 nan 8.280 nan 0.000 0.397 298 L N -0.186 121.223 121.223 0.310 0.000 2.475 298 L HA 0.581 4.921 4.340 -0.000 0.000 0.253 298 L C 1.003 178.041 176.870 0.279 0.000 1.198 298 L CA 0.417 55.459 54.840 0.338 0.000 0.814 298 L CB 0.972 43.132 42.059 0.168 0.000 1.134 298 L HN 0.377 nan 8.230 nan 0.000 0.478 299 A N -0.144 122.891 122.820 0.359 0.000 2.483 299 A HA 0.638 4.957 4.320 -0.000 0.000 0.306 299 A C -0.390 177.367 177.584 0.288 0.000 1.137 299 A CA -0.074 52.059 52.037 0.160 0.000 0.626 299 A CB 0.012 18.995 19.000 -0.028 0.000 1.352 299 A HN 0.740 nan 8.150 nan 0.000 0.508 300 G N -0.023 108.852 108.800 0.124 0.000 2.559 300 G HA2 0.419 4.379 3.960 -0.000 0.000 0.235 300 G HA3 0.419 4.379 3.960 -0.000 0.000 0.235 300 G C -1.162 173.893 174.900 0.259 0.000 1.266 300 G CA -0.227 44.959 45.100 0.143 0.000 0.847 300 G HN 0.407 nan 8.290 nan 0.000 0.583 301 P HA -0.172 nan 4.420 nan 0.000 0.217 301 P C 1.528 178.964 177.300 0.226 0.000 1.148 301 P CA 1.482 64.742 63.100 0.267 0.000 0.828 301 P CB 0.174 32.003 31.700 0.214 0.000 0.783 302 E N -0.350 119.922 120.200 0.119 0.000 2.478 302 E HA -0.029 4.321 4.350 -0.000 0.000 0.198 302 E C 1.183 177.772 176.600 -0.019 0.000 1.046 302 E CA 0.735 57.166 56.400 0.051 0.000 0.870 302 E CB -0.884 28.831 29.700 0.025 0.000 0.818 302 E HN 0.156 nan 8.360 nan 0.000 0.527 303 S N -0.189 115.455 115.700 -0.094 0.000 2.575 303 S HA 0.210 4.680 4.470 -0.000 0.000 0.215 303 S C -0.303 173.979 174.600 -0.530 0.000 0.966 303 S CA -0.238 57.763 58.200 -0.332 0.000 0.911 303 S CB -0.112 62.808 63.200 -0.467 0.000 0.780 303 S HN 0.149 nan 8.310 nan 0.000 0.514 304 F N 1.489 121.401 119.950 -0.064 0.000 2.495 304 F HA 0.467 4.994 4.527 -0.000 0.000 0.327 304 F C 1.110 176.848 175.800 -0.103 0.000 1.103 304 F CA -1.167 56.770 58.000 -0.105 0.000 0.949 304 F CB 0.853 39.775 39.000 -0.130 0.000 1.142 304 F HN -0.192 nan 8.300 nan 0.000 0.457 305 N N 0.956 119.664 118.700 0.013 0.000 2.289 305 N HA -0.184 4.556 4.740 -0.000 0.000 0.184 305 N C 1.322 176.868 175.510 0.059 0.000 1.016 305 N CA 1.231 54.262 53.050 -0.031 0.000 0.872 305 N CB -0.144 38.263 38.487 -0.133 0.000 0.973 305 N HN 0.520 nan 8.380 nan 0.000 0.433 306 Y N 0.138 120.424 120.300 -0.024 0.000 2.529 306 Y HA 0.202 4.751 4.550 -0.000 0.000 0.290 306 Y C 1.645 177.421 175.900 -0.206 0.000 1.177 306 Y CA 0.178 58.189 58.100 -0.149 0.000 1.305 306 Y CB -0.012 38.283 38.460 -0.275 0.000 1.047 306 Y HN 0.012 nan 8.280 nan 0.000 0.522 307 L N -0.787 120.458 121.223 0.036 0.000 3.174 307 L HA 0.133 4.473 4.340 -0.000 0.000 0.283 307 L C 0.418 177.338 176.870 0.082 0.000 1.187 307 L CA 0.176 55.023 54.840 0.011 0.000 1.018 307 L CB 0.265 42.292 42.059 -0.053 0.000 1.433 307 L HN 0.059 nan 8.230 nan 0.000 0.593 308 N N -1.826 116.912 118.700 0.064 0.000 2.338 308 N HA 0.048 4.788 4.740 -0.000 0.000 0.251 308 N C 0.950 176.474 175.510 0.024 0.000 1.199 308 N CA -0.162 52.917 53.050 0.049 0.000 0.879 308 N CB 0.380 38.890 38.487 0.038 0.000 1.159 308 N HN 0.020 nan 8.380 nan 0.000 0.514 309 Q N -0.270 119.536 119.800 0.011 0.000 2.423 309 Q HA 0.127 4.467 4.340 -0.000 0.000 0.231 309 Q C 1.420 177.399 176.000 -0.036 0.000 0.894 309 Q CA 1.060 56.862 55.803 -0.001 0.000 0.938 309 Q CB 0.221 28.966 28.738 0.013 0.000 1.079 309 Q HN 0.549 nan 8.270 nan 0.000 0.552 310 S N -0.599 115.061 115.700 -0.067 0.000 2.461 310 S HA 0.117 4.587 4.470 -0.000 0.000 0.228 310 S C 1.516 176.076 174.600 -0.067 0.000 1.005 310 S CA 0.902 59.040 58.200 -0.103 0.000 0.942 310 S CB 0.055 63.169 63.200 -0.144 0.000 0.776 310 S HN 0.441 nan 8.310 nan 0.000 0.514 311 G N 0.124 108.901 108.800 -0.038 0.000 2.141 311 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.242 311 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.242 311 G C 0.043 174.921 174.900 -0.037 0.000 0.982 311 G CA -0.029 45.054 45.100 -0.029 0.000 0.662 311 G HN 1.130 nan 8.290 nan 0.000 0.527 312 C N 0.559 119.830 119.300 -0.048 0.000 2.397 312 C HA 0.724 5.184 4.460 -0.000 0.000 0.325 312 C C 1.321 176.257 174.990 -0.090 0.000 1.201 312 C CA 0.202 59.175 59.018 -0.075 0.000 1.377 312 C CB 1.086 28.762 27.740 -0.107 0.000 2.038 312 C HN 1.345 nan 8.230 nan 0.000 0.457 313 V N 1.991 121.846 119.914 -0.097 0.000 3.398 313 V HA 0.400 4.520 4.120 -0.000 0.000 0.298 313 V C 0.009 175.950 176.094 -0.256 0.000 1.496 313 V CA 0.407 62.624 62.300 -0.137 0.000 1.044 313 V CB -0.094 31.793 31.823 0.107 0.000 0.880 313 V HN 0.894 nan 8.190 nan 0.000 0.443 314 D N 0.427 120.710 120.400 -0.195 0.000 2.671 314 D HA 0.511 5.151 4.640 -0.000 0.000 0.232 314 D C -0.973 175.236 176.300 -0.152 0.000 1.114 314 D CA -0.674 53.231 54.000 -0.157 0.000 0.858 314 D CB 3.053 43.803 40.800 -0.083 0.000 1.544 314 D HN 0.248 nan 8.370 nan 0.000 0.471 315 I N 1.204 121.693 120.570 -0.136 0.000 2.362 315 I HA 0.131 4.301 4.170 -0.000 0.000 0.289 315 I C 0.474 176.546 176.117 -0.074 0.000 0.994 315 I CA -0.942 60.296 61.300 -0.104 0.000 1.158 315 I CB 1.667 39.604 38.000 -0.106 0.000 1.315 315 I HN 0.024 nan 8.210 nan 0.000 0.451 316 K N 4.851 125.214 120.400 -0.060 0.000 2.436 316 K HA 0.141 4.461 4.320 -0.000 0.000 0.282 316 K C 0.986 177.563 176.600 -0.038 0.000 1.044 316 K CA 0.700 56.959 56.287 -0.046 0.000 1.028 316 K CB 0.422 32.896 32.500 -0.043 0.000 0.919 316 K HN 1.047 nan 8.250 nan 0.000 0.474 317 G N 1.287 110.068 108.800 -0.032 0.000 2.175 317 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.244 317 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.244 317 G C -0.042 174.841 174.900 -0.028 0.000 0.982 317 G CA -0.043 45.043 45.100 -0.024 0.000 0.641 317 G HN 0.403 nan 8.290 nan 0.000 0.527 318 V N 0.536 120.424 119.914 -0.044 0.000 2.581 318 V HA 0.798 4.917 4.120 -0.000 0.000 0.303 318 V C 0.290 176.357 176.094 -0.046 0.000 1.041 318 V CA -0.041 62.226 62.300 -0.055 0.000 0.907 318 V CB 1.927 33.692 31.823 -0.096 0.000 0.994 318 V HN 0.639 nan 8.190 nan 0.000 0.442 319 S N 2.106 117.786 115.700 -0.032 0.000 2.594 319 S HA 0.261 4.730 4.470 -0.000 0.000 0.322 319 S C 0.614 175.209 174.600 -0.009 0.000 1.085 319 S CA -0.683 57.506 58.200 -0.018 0.000 1.116 319 S CB 0.779 63.975 63.200 -0.005 0.000 0.979 319 S HN 0.757 nan 8.310 nan 0.000 0.465 320 D N 3.039 123.433 120.400 -0.011 0.000 2.104 320 D HA -0.117 4.523 4.640 -0.000 0.000 0.194 320 D C 1.836 178.155 176.300 0.032 0.000 0.994 320 D CA 1.324 55.330 54.000 0.010 0.000 0.830 320 D CB -0.193 40.622 40.800 0.026 0.000 0.959 320 D HN 0.598 nan 8.370 nan 0.000 0.452 321 S N 0.141 115.848 115.700 0.012 0.000 2.400 321 S HA -0.162 4.308 4.470 -0.000 0.000 0.232 321 S C 1.686 176.343 174.600 0.095 0.000 1.025 321 S CA 1.048 59.269 58.200 0.035 0.000 0.993 321 S CB 0.012 63.218 63.200 0.010 0.000 0.808 321 S HN 0.231 nan 8.310 nan 0.000 0.478 322 E N 0.379 120.615 120.200 0.059 0.000 2.072 322 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 322 E C 2.102 178.741 176.600 0.066 0.000 0.982 322 E CA 0.884 57.317 56.400 0.054 0.000 0.803 322 E CB -0.240 29.477 29.700 0.028 0.000 0.755 322 E HN 0.536 nan 8.360 nan 0.000 0.453 323 E N 0.724 120.961 120.200 0.062 0.000 2.153 323 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 323 E C 1.817 178.484 176.600 0.113 0.000 0.988 323 E CA 0.505 56.943 56.400 0.063 0.000 0.811 323 E CB -0.465 29.255 29.700 0.033 0.000 0.746 323 E HN 0.186 nan 8.360 nan 0.000 0.466 324 F N 2.289 122.212 119.950 -0.046 0.000 2.095 324 F HA -0.212 4.314 4.527 -0.000 0.000 0.298 324 F C 2.016 177.786 175.800 -0.050 0.000 1.104 324 F CA 1.521 59.474 58.000 -0.078 0.000 1.232 324 F CB -0.095 38.838 39.000 -0.112 0.000 0.987 324 F HN -0.072 nan 8.300 nan 0.000 0.475 325 K N -0.327 120.097 120.400 0.040 0.000 2.063 325 K HA -0.194 4.126 4.320 -0.000 0.000 0.208 325 K C 1.998 178.567 176.600 -0.051 0.000 1.048 325 K CA 1.563 57.827 56.287 -0.039 0.000 0.928 325 K CB -0.375 32.133 32.500 0.015 0.000 0.713 325 K HN 0.230 nan 8.250 nan 0.000 0.442 326 I N 1.521 122.085 120.570 -0.010 0.000 2.226 326 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 326 I C 2.236 178.349 176.117 -0.007 0.000 1.100 326 I CA 1.623 62.924 61.300 0.002 0.000 1.374 326 I CB -1.604 36.411 38.000 0.025 0.000 1.057 326 I HN 0.193 nan 8.210 nan 0.000 0.413 327 T N 1.248 115.786 114.554 -0.026 0.000 2.708 327 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 327 T C 2.031 176.707 174.700 -0.040 0.000 1.037 327 T CA 1.244 63.336 62.100 -0.014 0.000 1.146 327 T CB -0.225 68.631 68.868 -0.021 0.000 0.865 327 T HN 0.340 nan 8.240 nan 0.000 0.435 328 R N 1.294 121.707 120.500 -0.144 0.000 2.080 328 R HA -0.107 4.233 4.340 -0.000 0.000 0.236 328 R C 2.729 179.013 176.300 -0.026 0.000 1.137 328 R CA 1.442 57.478 56.100 -0.107 0.000 0.943 328 R CB -0.468 29.698 30.300 -0.223 0.000 0.846 328 R HN 0.567 nan 8.270 nan 0.000 0.431 329 Q N 0.383 120.168 119.800 -0.026 0.000 2.181 329 Q HA -0.114 4.225 4.340 -0.000 0.000 0.205 329 Q C 2.196 178.210 176.000 0.023 0.000 0.980 329 Q CA 1.525 57.330 55.803 0.003 0.000 0.862 329 Q CB -0.195 28.544 28.738 0.003 0.000 0.905 329 Q HN 0.392 nan 8.270 nan 0.000 0.429 330 A N 0.985 123.822 122.820 0.027 0.000 1.930 330 A HA -0.116 4.203 4.320 -0.000 0.000 0.217 330 A C 2.093 179.722 177.584 0.075 0.000 1.175 330 A CA 1.051 53.115 52.037 0.046 0.000 0.627 330 A CB -0.404 18.626 19.000 0.049 0.000 0.815 330 A HN 0.252 nan 8.150 nan 0.000 0.443 331 M N -0.437 119.209 119.600 0.077 0.000 2.159 331 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 331 M C 1.375 177.793 176.300 0.196 0.000 1.063 331 M CA 1.399 56.794 55.300 0.158 0.000 1.110 331 M CB -0.508 32.111 32.600 0.032 0.000 1.374 331 M HN 0.347 nan 8.290 nan 0.000 0.411 332 D N 0.731 121.193 120.400 0.104 0.000 2.097 332 D HA -0.121 4.519 4.640 -0.000 0.000 0.195 332 D C 2.023 178.352 176.300 0.048 0.000 0.989 332 D CA 1.255 55.298 54.000 0.072 0.000 0.827 332 D CB -0.162 40.664 40.800 0.043 0.000 0.966 332 D HN 0.289 nan 8.370 nan 0.000 0.456 333 I N 1.107 121.702 120.570 0.042 0.000 2.127 333 I HA -0.218 3.952 4.170 -0.000 0.000 0.241 333 I C 2.635 178.759 176.117 0.010 0.000 1.075 333 I CA 0.820 62.133 61.300 0.021 0.000 1.334 333 I CB -1.188 36.824 38.000 0.021 0.000 1.040 333 I HN -0.080 nan 8.210 nan 0.000 0.405 334 V N 0.845 120.782 119.914 0.038 0.000 2.282 334 V HA -0.170 3.949 4.120 -0.000 0.000 0.249 334 V C 1.632 177.674 176.094 -0.087 0.000 1.057 334 V CA 2.028 64.329 62.300 0.003 0.000 1.032 334 V CB -1.143 30.740 31.823 0.100 0.000 0.645 334 V HN 0.791 nan 8.190 nan 0.000 0.447 335 G N -1.538 107.226 108.800 -0.060 0.000 2.192 335 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.152 335 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.152 335 G C -0.313 174.459 174.900 -0.214 0.000 1.057 335 G CA -0.708 44.308 45.100 -0.140 0.000 0.748 335 G HN 0.253 nan 8.290 nan 0.000 0.488 336 F N 3.212 123.119 119.950 -0.071 0.000 2.404 336 F HA 0.504 5.031 4.527 -0.000 0.000 0.359 336 F C 1.489 177.272 175.800 -0.028 0.000 1.134 336 F CA 0.267 58.229 58.000 -0.064 0.000 1.160 336 F CB 1.110 40.070 39.000 -0.068 0.000 1.186 336 F HN 0.280 nan 8.300 nan 0.000 0.526 337 S N 2.608 118.357 115.700 0.082 0.000 2.542 337 S HA -0.193 4.277 4.470 -0.000 0.000 0.287 337 S C 1.270 175.928 174.600 0.096 0.000 1.315 337 S CA -0.381 57.860 58.200 0.068 0.000 1.037 337 S CB 0.829 64.058 63.200 0.047 0.000 0.822 337 S HN 0.740 nan 8.310 nan 0.000 0.513 338 Q N 1.354 121.195 119.800 0.068 0.000 2.291 338 Q HA -0.003 4.337 4.340 -0.000 0.000 0.205 338 Q C 1.782 177.818 176.000 0.059 0.000 0.970 338 Q CA 1.954 57.797 55.803 0.067 0.000 0.876 338 Q CB -0.180 28.591 28.738 0.056 0.000 0.935 338 Q HN 0.906 nan 8.270 nan 0.000 0.455 339 E N -0.274 119.959 120.200 0.055 0.000 2.076 339 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 339 E C 1.680 178.304 176.600 0.040 0.000 0.979 339 E CA 1.051 57.477 56.400 0.044 0.000 0.807 339 E CB 0.077 29.801 29.700 0.040 0.000 0.761 339 E HN 0.414 nan 8.360 nan 0.000 0.454 340 E N 0.505 120.757 120.200 0.087 0.000 2.051 340 E HA -0.234 4.116 4.350 -0.000 0.000 0.192 340 E C 2.136 178.747 176.600 0.019 0.000 0.991 340 E CA 1.173 57.660 56.400 0.146 0.000 0.799 340 E CB -0.033 29.885 29.700 0.363 0.000 0.748 340 E HN 0.289 nan 8.360 nan 0.000 0.449 341 Q N -0.131 119.659 119.800 -0.017 0.000 2.096 341 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 341 Q C 2.150 177.846 176.000 -0.506 0.000 0.982 341 Q CA 1.472 57.108 55.803 -0.279 0.000 0.850 341 Q CB -0.189 28.519 28.738 -0.049 0.000 0.901 341 Q HN 0.219 nan 8.270 nan 0.000 0.422 342 M N 0.007 119.522 119.600 -0.140 0.000 2.394 342 M HA -0.016 4.464 4.480 -0.000 0.000 0.264 342 M C 1.761 178.011 176.300 -0.083 0.000 1.073 342 M CA 1.230 56.515 55.300 -0.024 0.000 1.111 342 M CB 0.033 32.683 32.600 0.082 0.000 1.401 342 M HN -0.077 nan 8.290 nan 0.000 0.448 343 S N 0.298 115.921 115.700 -0.129 0.000 2.368 343 S HA -0.002 4.468 4.470 -0.000 0.000 0.224 343 S C 1.817 176.308 174.600 -0.180 0.000 1.029 343 S CA 1.394 59.524 58.200 -0.117 0.000 0.988 343 S CB -0.366 62.761 63.200 -0.121 0.000 0.838 343 S HN 0.581 nan 8.310 nan 0.000 0.462 344 I N 0.795 121.165 120.570 -0.334 0.000 2.151 344 I HA -0.228 3.942 4.170 -0.000 0.000 0.243 344 I C 1.616 177.598 176.117 -0.226 0.000 1.080 344 I CA 1.438 62.511 61.300 -0.380 0.000 1.339 344 I CB -0.422 37.223 38.000 -0.592 0.000 1.039 344 I HN 0.262 nan 8.210 nan 0.000 0.409 345 F N 0.688 120.680 119.950 0.070 0.000 2.661 345 F HA -0.010 4.517 4.527 -0.000 0.000 0.298 345 F C 2.270 178.082 175.800 0.021 0.000 1.137 345 F CA 0.505 58.549 58.000 0.073 0.000 1.454 345 F CB -0.945 38.130 39.000 0.124 0.000 1.103 345 F HN -0.089 nan 8.300 nan 0.000 0.577 346 K N 0.656 121.106 120.400 0.084 0.000 2.097 346 K HA -0.082 4.237 4.320 -0.000 0.000 0.205 346 K C 1.979 178.501 176.600 -0.129 0.000 1.050 346 K CA 1.231 57.512 56.287 -0.009 0.000 0.938 346 K CB -0.252 32.232 32.500 -0.026 0.000 0.718 346 K HN 0.227 nan 8.250 nan 0.000 0.442 347 I N 0.922 121.479 120.570 -0.022 0.000 2.202 347 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 347 I C 1.951 178.151 176.117 0.138 0.000 1.091 347 I CA 0.756 62.117 61.300 0.102 0.000 1.368 347 I CB -0.245 37.870 38.000 0.191 0.000 1.058 347 I HN 0.096 nan 8.210 nan 0.000 0.410 348 I N 1.305 121.958 120.570 0.138 0.000 2.163 348 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 348 I C 2.838 179.018 176.117 0.106 0.000 1.085 348 I CA 1.865 63.239 61.300 0.123 0.000 1.347 348 I CB -1.622 36.404 38.000 0.043 0.000 1.044 348 I HN 0.197 nan 8.210 nan 0.000 0.408 349 A N 0.917 123.755 122.820 0.031 0.000 1.969 349 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 349 A C 2.508 180.051 177.584 -0.067 0.000 1.169 349 A CA 1.630 53.633 52.037 -0.056 0.000 0.635 349 A CB -1.253 17.761 19.000 0.024 0.000 0.810 349 A HN 0.438 nan 8.150 nan 0.000 0.445 350 G N 0.227 108.922 108.800 -0.176 0.000 2.421 350 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 350 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 350 G C 1.518 176.562 174.900 0.239 0.000 1.171 350 G CA 1.131 46.014 45.100 -0.363 0.000 0.775 350 G HN 0.464 nan 8.290 nan 0.000 0.543 351 I N 0.451 121.256 120.570 0.391 0.000 2.194 351 I HA -0.195 3.975 4.170 -0.000 0.000 0.246 351 I C 2.725 179.085 176.117 0.404 0.000 1.093 351 I CA 0.797 62.413 61.300 0.526 0.000 1.355 351 I CB -0.156 38.206 38.000 0.603 0.000 1.046 351 I HN 0.155 nan 8.210 nan 0.000 0.413 352 L N -0.565 120.775 121.223 0.196 0.000 2.046 352 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 352 L C 2.694 179.586 176.870 0.036 0.000 1.077 352 L CA 1.202 56.025 54.840 -0.028 0.000 0.747 352 L CB -0.988 40.746 42.059 -0.542 0.000 0.896 352 L HN 0.345 nan 8.230 nan 0.000 0.432 353 H N 0.021 119.214 119.070 0.205 0.000 2.357 353 H HA -0.090 4.466 4.556 -0.000 0.000 0.301 353 H C 2.440 177.828 175.328 0.100 0.000 1.082 353 H CA 1.261 57.407 56.048 0.164 0.000 1.342 353 H CB -0.304 29.530 29.762 0.121 0.000 1.389 353 H HN 0.293 nan 8.280 nan 0.000 0.511 354 L N -0.022 121.378 121.223 0.295 0.000 2.051 354 L HA -0.161 4.179 4.340 -0.000 0.000 0.214 354 L C 2.702 179.599 176.870 0.045 0.000 1.076 354 L CA 1.389 56.374 54.840 0.242 0.000 0.758 354 L CB -0.807 41.477 42.059 0.375 0.000 0.890 354 L HN 0.319 nan 8.230 nan 0.000 0.433 355 G N -0.981 107.688 108.800 -0.217 0.000 2.559 355 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.216 355 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.216 355 G C 1.281 175.899 174.900 -0.471 0.000 1.126 355 G CA 0.367 44.913 45.100 -0.924 0.000 0.778 355 G HN 0.315 nan 8.290 nan 0.000 0.543 356 N N -0.095 118.486 118.700 -0.198 0.000 2.353 356 N HA 0.077 4.817 4.740 -0.000 0.000 0.185 356 N C 0.292 175.720 175.510 -0.137 0.000 1.098 356 N CA -0.273 52.701 53.050 -0.127 0.000 0.872 356 N CB 0.180 38.650 38.487 -0.028 0.000 0.970 356 N HN 0.121 nan 8.380 nan 0.000 0.467 357 I N 1.470 121.942 120.570 -0.165 0.000 2.741 357 I HA -0.093 4.077 4.170 -0.000 0.000 0.288 357 I C 0.870 176.743 176.117 -0.406 0.000 1.192 357 I CA 0.357 61.475 61.300 -0.304 0.000 1.426 357 I CB 0.057 37.810 38.000 -0.411 0.000 1.367 357 I HN -0.176 nan 8.210 nan 0.000 0.563 358 K N 6.941 127.117 120.400 -0.373 0.000 2.367 358 K HA 0.389 4.709 4.320 -0.000 0.000 0.263 358 K C -1.101 175.331 176.600 -0.281 0.000 1.000 358 K CA -0.575 55.556 56.287 -0.260 0.000 0.891 358 K CB 0.511 32.940 32.500 -0.120 0.000 1.117 358 K HN 0.204 nan 8.250 nan 0.000 0.443 359 F N 2.226 122.190 119.950 0.023 0.000 2.399 359 F HA 0.253 4.780 4.527 -0.000 0.000 0.342 359 F C 0.746 176.558 175.800 0.020 0.000 1.106 359 F CA -0.100 57.917 58.000 0.029 0.000 1.196 359 F CB 1.018 40.040 39.000 0.037 0.000 1.163 359 F HN 0.472 nan 8.300 nan 0.000 0.547 360 E N 1.031 121.353 120.200 0.204 0.000 2.336 360 E HA 0.271 4.621 4.350 -0.000 0.000 0.267 360 E C -0.985 175.669 176.600 0.091 0.000 0.906 360 E CA -1.178 55.288 56.400 0.111 0.000 0.781 360 E CB 1.855 31.594 29.700 0.065 0.000 1.261 360 E HN 0.373 nan 8.360 nan 0.000 0.436 361 K N 0.824 121.253 120.400 0.049 0.000 2.368 361 K HA 0.249 4.569 4.320 -0.000 0.000 0.282 361 K C 0.071 176.680 176.600 0.015 0.000 1.035 361 K CA -0.050 56.247 56.287 0.016 0.000 0.973 361 K CB 0.759 33.260 32.500 0.002 0.000 0.957 361 K HN 0.652 nan 8.250 nan 0.000 0.474 362 G N 1.614 110.412 108.800 -0.004 0.000 2.508 362 G HA2 0.271 4.231 3.960 -0.000 0.000 0.278 362 G HA3 0.271 4.231 3.960 -0.000 0.000 0.278 362 G C 0.833 175.733 174.900 -0.000 0.000 1.389 362 G CA 0.226 45.333 45.100 0.012 0.000 1.050 362 G HN 0.707 nan 8.290 nan 0.000 0.522 363 A N -0.866 121.960 122.820 0.010 0.000 1.933 363 A HA 0.229 4.549 4.320 -0.000 0.000 0.218 363 A C 1.746 179.324 177.584 -0.010 0.000 1.175 363 A CA 1.912 53.951 52.037 0.004 0.000 0.628 363 A CB -1.038 17.970 19.000 0.012 0.000 0.814 363 A HN 1.084 nan 8.150 nan 0.000 0.444 364 G N -1.872 106.916 108.800 -0.021 0.000 2.563 364 G HA2 0.356 4.316 3.960 -0.000 0.000 0.283 364 G HA3 0.356 4.316 3.960 -0.000 0.000 0.283 364 G C 0.335 175.187 174.900 -0.080 0.000 1.309 364 G CA 0.202 45.275 45.100 -0.045 0.000 1.022 364 G HN 0.280 nan 8.290 nan 0.000 0.501 365 E N -1.127 119.015 120.200 -0.097 0.000 2.481 365 E HA 0.156 4.506 4.350 -0.000 0.000 0.195 365 E C 1.574 178.059 176.600 -0.192 0.000 1.047 365 E CA 0.300 56.636 56.400 -0.107 0.000 0.867 365 E CB -0.157 29.497 29.700 -0.076 0.000 0.858 365 E HN 0.493 nan 8.360 nan 0.000 0.513 366 G N -0.119 108.470 108.800 -0.351 0.000 2.572 366 G HA2 0.448 4.408 3.960 -0.000 0.000 0.261 366 G HA3 0.448 4.408 3.960 -0.000 0.000 0.261 366 G C -0.443 174.142 174.900 -0.526 0.000 1.197 366 G CA -0.074 44.554 45.100 -0.787 0.000 0.870 366 G HN 0.252 nan 8.290 nan 0.000 0.548 367 A N -0.715 121.898 122.820 -0.346 0.000 2.282 367 A HA 0.784 5.103 4.320 -0.000 0.000 0.319 367 A C 0.156 177.897 177.584 0.262 0.000 1.121 367 A CA -0.071 51.987 52.037 0.036 0.000 0.836 367 A CB 1.287 20.320 19.000 0.055 0.000 1.146 367 A HN 1.967 nan 8.150 nan 0.000 0.494 368 V N -1.108 118.939 119.914 0.222 0.000 3.102 368 V HA 0.812 4.932 4.120 -0.000 0.000 0.312 368 V C -1.158 175.063 176.094 0.210 0.000 1.135 368 V CA -0.861 61.566 62.300 0.212 0.000 1.022 368 V CB 1.778 33.682 31.823 0.135 0.000 1.056 368 V HN 0.906 nan 8.190 nan 0.000 0.436 369 L N 2.392 123.702 121.223 0.145 0.000 2.408 369 L HA 0.559 4.899 4.340 -0.000 0.000 0.257 369 L C 1.023 177.904 176.870 0.018 0.000 1.053 369 L CA 0.203 55.079 54.840 0.060 0.000 0.922 369 L CB 0.640 42.726 42.059 0.046 0.000 1.261 369 L HN 0.839 nan 8.230 nan 0.000 0.458 370 K N 0.553 120.958 120.400 0.009 0.000 2.026 370 K HA -0.053 4.266 4.320 -0.000 0.000 0.208 370 K C 0.315 176.904 176.600 -0.018 0.000 1.048 370 K CA 1.089 57.377 56.287 0.001 0.000 0.929 370 K CB 0.146 32.647 32.500 0.002 0.000 0.713 370 K HN 0.495 nan 8.250 nan 0.000 0.439 371 D N 0.404 120.781 120.400 -0.038 0.000 2.280 371 D HA 0.105 4.745 4.640 -0.000 0.000 0.236 371 D C -0.316 175.947 176.300 -0.061 0.000 1.082 371 D CA -0.092 53.880 54.000 -0.047 0.000 0.834 371 D CB 1.530 42.297 40.800 -0.054 0.000 1.100 371 D HN -0.222 nan 8.370 nan 0.000 0.486 372 K N 1.426 121.796 120.400 -0.050 0.000 2.387 372 K HA 0.120 4.440 4.320 -0.000 0.000 0.198 372 K C 1.588 178.149 176.600 -0.065 0.000 1.022 372 K CA 0.108 56.364 56.287 -0.052 0.000 1.128 372 K CB 0.446 32.925 32.500 -0.036 0.000 0.853 372 K HN 0.344 nan 8.250 nan 0.000 0.523 373 T N 0.360 114.873 114.554 -0.068 0.000 2.580 373 T HA -0.245 4.105 4.350 -0.000 0.000 0.265 373 T C 1.943 176.580 174.700 -0.105 0.000 1.063 373 T CA 1.815 63.867 62.100 -0.080 0.000 1.170 373 T CB -0.342 68.485 68.868 -0.067 0.000 0.863 373 T HN 0.331 nan 8.240 nan 0.000 0.418 374 A N 0.978 123.750 122.820 -0.080 0.000 1.933 374 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 374 A C 2.291 179.846 177.584 -0.048 0.000 1.175 374 A CA 1.351 53.357 52.037 -0.052 0.000 0.628 374 A CB -0.831 18.170 19.000 0.003 0.000 0.814 374 A HN 0.426 nan 8.150 nan 0.000 0.444 375 L N 0.372 121.565 121.223 -0.050 0.000 2.042 375 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 375 L C 1.836 178.685 176.870 -0.034 0.000 1.076 375 L CA 2.417 57.248 54.840 -0.016 0.000 0.749 375 L CB -0.567 41.479 42.059 -0.022 0.000 0.893 375 L HN 0.335 nan 8.230 nan 0.000 0.432 376 N N 0.151 118.800 118.700 -0.084 0.000 2.171 376 N HA -0.076 4.664 4.740 -0.000 0.000 0.184 376 N C 1.866 177.254 175.510 -0.204 0.000 1.021 376 N CA 1.454 54.436 53.050 -0.113 0.000 0.854 376 N CB -0.587 37.836 38.487 -0.107 0.000 0.994 376 N HN 0.532 nan 8.380 nan 0.000 0.426 377 A N 1.184 123.809 122.820 -0.325 0.000 1.883 377 A HA -0.035 4.284 4.320 -0.000 0.000 0.217 377 A C 2.377 179.712 177.584 -0.416 0.000 1.186 377 A CA 2.132 53.795 52.037 -0.623 0.000 0.624 377 A CB -0.960 17.456 19.000 -0.973 0.000 0.822 377 A HN 0.316 nan 8.150 nan 0.000 0.444 378 A N -0.573 122.161 122.820 -0.143 0.000 1.877 378 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 378 A C 2.453 180.136 177.584 0.166 0.000 1.186 378 A CA 2.142 54.257 52.037 0.130 0.000 0.620 378 A CB -1.035 18.177 19.000 0.354 0.000 0.822 378 A HN 0.473 nan 8.150 nan 0.000 0.443 379 S N -0.344 115.414 115.700 0.097 0.000 2.365 379 S HA -0.182 4.288 4.470 -0.000 0.000 0.225 379 S C 2.068 176.670 174.600 0.004 0.000 1.039 379 S CA 1.933 60.163 58.200 0.049 0.000 1.033 379 S CB -0.740 62.447 63.200 -0.021 0.000 0.887 379 S HN 0.710 nan 8.310 nan 0.000 0.447 380 T N 2.279 116.792 114.554 -0.069 0.000 2.607 380 T HA -0.137 4.212 4.350 -0.000 0.000 0.267 380 T C 2.138 176.816 174.700 -0.037 0.000 1.049 380 T CA 1.890 63.941 62.100 -0.082 0.000 1.162 380 T CB -0.699 68.054 68.868 -0.191 0.000 0.863 380 T HN 0.456 nan 8.240 nan 0.000 0.424 381 V N -0.951 118.925 119.914 -0.064 0.000 2.667 381 V HA 0.000 4.120 4.120 -0.000 0.000 0.252 381 V C 2.069 178.115 176.094 -0.081 0.000 1.065 381 V CA 1.427 63.694 62.300 -0.056 0.000 1.083 381 V CB -1.190 30.590 31.823 -0.071 0.000 0.692 381 V HN 0.299 nan 8.190 nan 0.000 0.468 382 F N 2.409 122.383 119.950 0.041 0.000 2.367 382 F HA 0.456 4.983 4.527 -0.000 0.000 0.298 382 F C 2.057 177.813 175.800 -0.072 0.000 1.094 382 F CA 0.866 58.875 58.000 0.016 0.000 1.409 382 F CB -0.727 38.281 39.000 0.014 0.000 1.064 382 F HN 0.452 nan 8.300 nan 0.000 0.528 383 G N 0.925 109.767 108.800 0.069 0.000 2.303 383 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.260 383 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.260 383 G C -0.429 174.410 174.900 -0.101 0.000 1.106 383 G CA 0.013 45.107 45.100 -0.011 0.000 0.900 383 G HN 0.722 nan 8.290 nan 0.000 0.495 384 V N -3.014 116.812 119.914 -0.146 0.000 3.049 384 V HA 0.785 4.905 4.120 -0.000 0.000 0.309 384 V C 0.127 176.117 176.094 -0.173 0.000 1.148 384 V CA -1.528 60.614 62.300 -0.264 0.000 0.990 384 V CB 2.091 33.558 31.823 -0.593 0.000 1.039 384 V HN 0.403 nan 8.190 nan 0.000 0.430 385 N N 4.130 122.733 118.700 -0.161 0.000 2.452 385 N HA 0.266 5.005 4.740 -0.000 0.000 0.266 385 N C -1.460 173.997 175.510 -0.088 0.000 1.175 385 N CA -1.334 51.654 53.050 -0.103 0.000 0.945 385 N CB 1.860 40.296 38.487 -0.085 0.000 1.063 385 N HN 0.603 nan 8.380 nan 0.000 0.472 386 P HA -0.128 nan 4.420 nan 0.000 0.218 386 P C 0.999 178.286 177.300 -0.021 0.000 1.148 386 P CA 1.270 64.349 63.100 -0.036 0.000 0.822 386 P CB 0.163 31.842 31.700 -0.034 0.000 0.784 387 S N -1.306 114.378 115.700 -0.027 0.000 2.458 387 S HA -0.002 4.468 4.470 -0.000 0.000 0.223 387 S C 2.060 176.650 174.600 -0.015 0.000 1.019 387 S CA 0.420 58.611 58.200 -0.015 0.000 0.937 387 S CB -1.472 61.717 63.200 -0.018 0.000 0.788 387 S HN -0.059 nan 8.310 nan 0.000 0.511 388 V N 2.120 122.015 119.914 -0.031 0.000 2.295 388 V HA -0.103 4.016 4.120 -0.000 0.000 0.246 388 V C 2.455 178.541 176.094 -0.014 0.000 1.049 388 V CA 1.706 63.987 62.300 -0.032 0.000 1.024 388 V CB -0.854 30.935 31.823 -0.058 0.000 0.648 388 V HN 0.453 nan 8.190 nan 0.000 0.447 389 L N 0.390 121.601 121.223 -0.019 0.000 2.042 389 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 389 L C 2.394 179.310 176.870 0.076 0.000 1.076 389 L CA 2.243 57.102 54.840 0.032 0.000 0.749 389 L CB -0.857 41.216 42.059 0.024 0.000 0.893 389 L HN 0.452 nan 8.230 nan 0.000 0.432 390 E N -0.647 119.589 120.200 0.059 0.000 2.077 390 E HA -0.276 4.074 4.350 -0.000 0.000 0.193 390 E C 2.155 178.798 176.600 0.071 0.000 0.989 390 E CA 1.466 57.918 56.400 0.086 0.000 0.800 390 E CB 0.023 29.758 29.700 0.057 0.000 0.746 390 E HN 0.517 nan 8.360 nan 0.000 0.452 391 K N -0.025 120.391 120.400 0.027 0.000 2.025 391 K HA -0.056 4.263 4.320 -0.000 0.000 0.207 391 K C 2.097 178.700 176.600 0.006 0.000 1.049 391 K CA 0.978 57.263 56.287 -0.004 0.000 0.933 391 K CB -0.136 32.353 32.500 -0.020 0.000 0.714 391 K HN 0.102 nan 8.250 nan 0.000 0.438 392 A N 1.126 123.960 122.820 0.024 0.000 1.986 392 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 392 A C 2.045 179.656 177.584 0.045 0.000 1.171 392 A CA 1.474 53.533 52.037 0.036 0.000 0.640 392 A CB -0.601 18.431 19.000 0.054 0.000 0.811 392 A HN 0.189 nan 8.150 nan 0.000 0.451 393 L N -2.121 119.146 121.223 0.072 0.000 2.127 393 L HA 0.001 4.340 4.340 -0.000 0.000 0.203 393 L C 2.690 179.553 176.870 -0.012 0.000 1.080 393 L CA 1.189 56.073 54.840 0.074 0.000 0.768 393 L CB -0.229 41.958 42.059 0.213 0.000 0.924 393 L HN 0.397 nan 8.230 nan 0.000 0.444 394 M N -1.584 118.025 119.600 0.015 0.000 2.571 394 M HA 0.071 4.550 4.480 -0.000 0.000 0.259 394 M C 0.114 176.419 176.300 0.009 0.000 1.205 394 M CA 0.655 55.957 55.300 0.004 0.000 1.138 394 M CB 0.640 33.295 32.600 0.091 0.000 1.329 394 M HN 0.037 nan 8.290 nan 0.000 0.503 395 E N 1.693 121.861 120.200 -0.054 0.000 3.659 395 E HA 0.243 4.592 4.350 -0.000 0.000 0.217 395 E C -2.444 174.135 176.600 -0.034 0.000 1.141 395 E CA -1.632 54.717 56.400 -0.084 0.000 1.340 395 E CB 0.486 30.078 29.700 -0.181 0.000 1.295 395 E HN 0.162 nan 8.360 nan 0.000 0.434 396 P HA 0.066 nan 4.420 nan 0.000 0.272 396 P C -0.351 176.950 177.300 0.002 0.000 1.223 396 P CA -0.175 62.926 63.100 0.001 0.000 0.784 396 P CB 0.950 32.654 31.700 0.007 0.000 0.923 397 R N 1.958 122.461 120.500 0.005 0.000 2.265 397 R HA 0.551 4.891 4.340 -0.000 0.000 0.319 397 R C 0.316 176.625 176.300 0.015 0.000 1.006 397 R CA -0.607 55.498 56.100 0.007 0.000 0.880 397 R CB 0.369 30.673 30.300 0.006 0.000 1.077 397 R HN 0.510 nan 8.270 nan 0.000 0.454 398 I N -1.140 119.439 120.570 0.015 0.000 3.108 398 I HA 0.460 4.629 4.170 -0.000 0.000 0.312 398 I C -0.891 175.236 176.117 0.017 0.000 1.095 398 I CA -1.131 60.181 61.300 0.020 0.000 1.000 398 I CB 1.239 39.250 38.000 0.019 0.000 1.229 398 I HN 0.323 nan 8.210 nan 0.000 0.454 399 L N 2.707 123.942 121.223 0.020 0.000 2.305 399 L HA 0.662 5.002 4.340 -0.000 0.000 0.281 399 L C 0.070 176.947 176.870 0.012 0.000 1.085 399 L CA -0.684 54.166 54.840 0.016 0.000 0.813 399 L CB 1.390 43.460 42.059 0.018 0.000 1.157 399 L HN 0.902 nan 8.230 nan 0.000 0.436 400 A N 3.130 125.955 122.820 0.008 0.000 2.508 400 A HA 0.634 4.954 4.320 -0.000 0.000 0.336 400 A C 0.676 178.262 177.584 0.004 0.000 1.360 400 A CA 0.243 52.283 52.037 0.005 0.000 0.841 400 A CB 0.559 19.561 19.000 0.004 0.000 1.136 400 A HN 1.022 nan 8.150 nan 0.000 0.489 401 G N 2.359 111.161 108.800 0.003 0.000 2.950 401 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.299 401 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.299 401 G C 0.968 175.870 174.900 0.004 0.000 1.310 401 G CA 0.688 45.790 45.100 0.003 0.000 0.994 401 G HN 0.749 nan 8.290 nan 0.000 0.575 402 R N 0.728 121.231 120.500 0.004 0.000 2.469 402 R HA 0.216 4.555 4.340 -0.000 0.000 0.250 402 R C 0.210 176.513 176.300 0.006 0.000 0.909 402 R CA 0.050 56.154 56.100 0.005 0.000 1.050 402 R CB 0.405 30.708 30.300 0.004 0.000 1.256 402 R HN 0.486 nan 8.270 nan 0.000 0.550 403 D N 1.056 121.459 120.400 0.005 0.000 2.378 403 D HA 0.001 4.641 4.640 -0.000 0.000 0.238 403 D C -0.828 175.476 176.300 0.007 0.000 1.180 403 D CA 0.115 54.118 54.000 0.005 0.000 0.895 403 D CB 0.873 41.676 40.800 0.004 0.000 1.192 403 D HN -0.177 nan 8.370 nan 0.000 0.438 404 L N 3.692 124.919 121.223 0.007 0.000 2.283 404 L HA 0.342 4.682 4.340 -0.000 0.000 0.281 404 L C -1.219 175.654 176.870 0.006 0.000 1.033 404 L CA -0.542 54.303 54.840 0.007 0.000 0.848 404 L CB 1.087 43.150 42.059 0.007 0.000 1.226 404 L HN 0.115 nan 8.230 nan 0.000 0.429 405 V N 4.719 124.637 119.914 0.007 0.000 2.417 405 V HA 0.701 4.820 4.120 -0.000 0.000 0.291 405 V C 0.466 176.563 176.094 0.006 0.000 1.024 405 V CA -0.663 61.641 62.300 0.006 0.000 0.861 405 V CB 1.393 33.220 31.823 0.008 0.000 0.985 405 V HN 0.851 nan 8.190 nan 0.000 0.436 406 A N 5.382 128.203 122.820 0.002 0.000 2.354 406 A HA 0.546 4.866 4.320 -0.000 0.000 0.281 406 A C 0.247 177.835 177.584 0.006 0.000 1.174 406 A CA -0.440 51.595 52.037 -0.003 0.000 0.828 406 A CB 0.256 19.246 19.000 -0.016 0.000 1.099 406 A HN 0.792 nan 8.150 nan 0.000 0.516 407 Q N 0.674 120.481 119.800 0.011 0.000 2.237 407 Q HA 0.267 4.607 4.340 -0.000 0.000 0.219 407 Q C -0.699 175.346 176.000 0.075 0.000 0.999 407 Q CA -0.125 55.700 55.803 0.037 0.000 0.959 407 Q CB 1.105 29.860 28.738 0.028 0.000 1.173 407 Q HN 0.878 nan 8.270 nan 0.000 0.527 408 H N 0.214 119.273 119.070 -0.018 0.000 2.974 408 H HA 0.329 4.885 4.556 -0.000 0.000 0.285 408 H C -0.783 174.524 175.328 -0.036 0.000 1.227 408 H CA -0.378 55.657 56.048 -0.022 0.000 1.569 408 H CB 0.207 29.962 29.762 -0.011 0.000 1.648 408 H HN 0.391 nan 8.280 nan 0.000 0.521 409 L N 3.501 124.810 121.223 0.144 0.000 2.456 409 L HA 0.045 4.385 4.340 -0.000 0.000 0.272 409 L C 0.922 177.746 176.870 -0.076 0.000 1.189 409 L CA -0.507 54.331 54.840 -0.003 0.000 0.846 409 L CB 0.122 42.148 42.059 -0.054 0.000 1.111 409 L HN 0.699 nan 8.230 nan 0.000 0.475 410 N N 2.143 120.781 118.700 -0.104 0.000 2.294 410 N HA 0.035 4.774 4.740 -0.000 0.000 0.275 410 N C 0.851 176.296 175.510 -0.109 0.000 1.291 410 N CA -0.602 52.379 53.050 -0.116 0.000 0.933 410 N CB -0.039 38.398 38.487 -0.083 0.000 1.096 410 N HN 0.271 nan 8.380 nan 0.000 0.525 411 V N -0.298 119.580 119.914 -0.060 0.000 2.233 411 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 411 V C 2.539 178.603 176.094 -0.050 0.000 1.050 411 V CA 2.312 64.602 62.300 -0.016 0.000 1.010 411 V CB -1.079 30.775 31.823 0.051 0.000 0.637 411 V HN 0.768 nan 8.190 nan 0.000 0.444 412 E N 0.050 120.234 120.200 -0.027 0.000 2.048 412 E HA -0.288 4.062 4.350 -0.000 0.000 0.202 412 E C 2.362 178.930 176.600 -0.054 0.000 1.021 412 E CA 1.741 58.130 56.400 -0.019 0.000 0.825 412 E CB -0.095 29.597 29.700 -0.014 0.000 0.756 412 E HN 0.451 nan 8.360 nan 0.000 0.454 413 K N 0.075 120.429 120.400 -0.078 0.000 2.103 413 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 413 K C 2.376 178.883 176.600 -0.156 0.000 1.048 413 K CA 1.283 57.517 56.287 -0.088 0.000 0.930 413 K CB -0.208 32.247 32.500 -0.074 0.000 0.716 413 K HN 0.071 nan 8.250 nan 0.000 0.444 414 S N 0.861 116.382 115.700 -0.299 0.000 2.368 414 S HA -0.122 4.348 4.470 -0.000 0.000 0.224 414 S C 2.096 176.381 174.600 -0.524 0.000 1.029 414 S CA 1.333 59.161 58.200 -0.620 0.000 0.988 414 S CB -0.187 62.256 63.200 -1.262 0.000 0.838 414 S HN 0.331 nan 8.310 nan 0.000 0.462 415 S N 1.293 116.843 115.700 -0.249 0.000 2.368 415 S HA -0.086 4.384 4.470 -0.000 0.000 0.225 415 S C 2.047 176.706 174.600 0.097 0.000 1.030 415 S CA 1.501 59.769 58.200 0.113 0.000 0.999 415 S CB -0.416 62.893 63.200 0.181 0.000 0.844 415 S HN 0.476 nan 8.310 nan 0.000 0.459 416 S N 0.503 116.218 115.700 0.025 0.000 2.399 416 S HA -0.053 4.416 4.470 -0.000 0.000 0.231 416 S C 2.093 176.714 174.600 0.036 0.000 1.022 416 S CA 1.213 59.434 58.200 0.035 0.000 0.983 416 S CB -0.501 62.704 63.200 0.009 0.000 0.803 416 S HN 0.588 nan 8.310 nan 0.000 0.480 417 S N 1.122 116.823 115.700 0.002 0.000 2.371 417 S HA -0.035 4.435 4.470 -0.000 0.000 0.224 417 S C 2.108 176.748 174.600 0.067 0.000 1.029 417 S CA 0.633 58.840 58.200 0.012 0.000 0.978 417 S CB -0.246 62.938 63.200 -0.027 0.000 0.833 417 S HN 0.376 nan 8.310 nan 0.000 0.466 418 R N 1.081 121.655 120.500 0.122 0.000 2.091 418 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 418 R C 1.250 177.674 176.300 0.207 0.000 1.136 418 R CA 2.060 58.295 56.100 0.226 0.000 0.959 418 R CB -0.954 29.584 30.300 0.397 0.000 0.856 418 R HN 0.358 nan 8.270 nan 0.000 0.437 419 D N 0.252 120.764 120.400 0.188 0.000 2.144 419 D HA -0.069 4.571 4.640 -0.000 0.000 0.200 419 D C 1.743 178.097 176.300 0.091 0.000 0.978 419 D CA 1.443 55.542 54.000 0.166 0.000 0.833 419 D CB -0.216 40.666 40.800 0.138 0.000 0.961 419 D HN 0.354 nan 8.370 nan 0.000 0.470 420 A N 0.710 123.568 122.820 0.065 0.000 1.902 420 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 420 A C 2.096 179.690 177.584 0.017 0.000 1.181 420 A CA 1.027 53.083 52.037 0.031 0.000 0.623 420 A CB -0.735 18.276 19.000 0.018 0.000 0.818 420 A HN 0.249 nan 8.150 nan 0.000 0.443 421 L N 0.178 121.413 121.223 0.019 0.000 1.970 421 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 421 L C 2.406 179.265 176.870 -0.019 0.000 1.071 421 L CA 2.284 57.098 54.840 -0.043 0.000 0.751 421 L CB -0.973 41.044 42.059 -0.070 0.000 0.889 421 L HN 0.167 nan 8.230 nan 0.000 0.432 422 V N 0.195 120.155 119.914 0.076 0.000 2.250 422 V HA -0.416 3.704 4.120 -0.000 0.000 0.250 422 V C 2.679 178.846 176.094 0.122 0.000 1.060 422 V CA 2.541 64.931 62.300 0.151 0.000 1.030 422 V CB -0.772 31.170 31.823 0.198 0.000 0.643 422 V HN 0.519 nan 8.190 nan 0.000 0.445 423 K N -0.291 120.149 120.400 0.066 0.000 2.147 423 K HA -0.096 4.224 4.320 -0.000 0.000 0.205 423 K C 2.219 178.854 176.600 0.058 0.000 1.049 423 K CA 1.347 57.673 56.287 0.065 0.000 0.936 423 K CB -0.332 32.186 32.500 0.030 0.000 0.722 423 K HN 0.524 nan 8.250 nan 0.000 0.446 424 A N 1.380 124.203 122.820 0.004 0.000 1.897 424 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 424 A C 2.112 179.640 177.584 -0.093 0.000 1.181 424 A CA 0.856 52.852 52.037 -0.069 0.000 0.620 424 A CB -0.477 18.453 19.000 -0.116 0.000 0.821 424 A HN 0.117 nan 8.150 nan 0.000 0.443 425 L N -2.127 119.077 121.223 -0.031 0.000 1.989 425 L HA -0.241 4.098 4.340 -0.000 0.000 0.211 425 L C 2.578 179.492 176.870 0.073 0.000 1.071 425 L CA 2.119 56.970 54.840 0.017 0.000 0.749 425 L CB -0.604 41.517 42.059 0.103 0.000 0.890 425 L HN 0.574 nan 8.230 nan 0.000 0.431 426 Y N 0.309 120.637 120.300 0.047 0.000 2.145 426 Y HA -0.189 4.361 4.550 -0.000 0.000 0.286 426 Y C 2.351 178.258 175.900 0.011 0.000 1.145 426 Y CA 1.721 59.858 58.100 0.061 0.000 1.148 426 Y CB -0.575 37.944 38.460 0.099 0.000 0.981 426 Y HN 0.114 nan 8.280 nan 0.000 0.507 427 G N -0.514 108.370 108.800 0.141 0.000 2.432 427 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.219 427 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.219 427 G C 1.729 176.626 174.900 -0.006 0.000 1.135 427 G CA 0.690 45.825 45.100 0.057 0.000 0.767 427 G HN 0.322 nan 8.290 nan 0.000 0.550 428 R N -0.879 119.578 120.500 -0.071 0.000 2.093 428 R HA 0.110 4.450 4.340 -0.000 0.000 0.224 428 R C 2.404 178.661 176.300 -0.071 0.000 1.101 428 R CA 0.650 56.684 56.100 -0.110 0.000 0.979 428 R CB -0.444 29.708 30.300 -0.246 0.000 0.877 428 R HN 0.338 nan 8.270 nan 0.000 0.441 429 L N 0.474 121.624 121.223 -0.120 0.000 1.971 429 L HA -0.210 4.130 4.340 -0.000 0.000 0.215 429 L C 1.942 178.718 176.870 -0.157 0.000 1.072 429 L CA 1.785 56.531 54.840 -0.158 0.000 0.758 429 L CB -0.756 41.131 42.059 -0.287 0.000 0.889 429 L HN 0.064 nan 8.230 nan 0.000 0.433 430 F N -0.898 118.819 119.950 -0.388 0.000 2.126 430 F HA -0.263 4.263 4.527 -0.000 0.000 0.299 430 F C 2.188 177.838 175.800 -0.250 0.000 1.096 430 F CA 1.746 59.503 58.000 -0.404 0.000 1.255 430 F CB -0.278 38.485 39.000 -0.395 0.000 0.997 430 F HN 0.175 nan 8.300 nan 0.000 0.479 431 L N -0.895 120.324 121.223 -0.005 0.000 2.083 431 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 431 L C 1.994 178.821 176.870 -0.071 0.000 1.083 431 L CA 1.765 56.582 54.840 -0.038 0.000 0.752 431 L CB -1.046 41.019 42.059 0.010 0.000 0.899 431 L HN 0.456 nan 8.230 nan 0.000 0.433 432 W N -0.371 120.798 121.300 -0.217 0.000 2.381 432 W HA -0.165 4.494 4.660 -0.000 0.000 0.301 432 W C 2.200 178.602 176.519 -0.196 0.000 1.205 432 W CA 1.604 58.839 57.345 -0.184 0.000 1.285 432 W CB -0.200 29.163 29.460 -0.162 0.000 1.133 432 W HN 0.068 nan 8.180 nan 0.000 0.521 433 L N -0.190 120.904 121.223 -0.214 0.000 2.042 433 L HA -0.280 4.059 4.340 -0.000 0.000 0.210 433 L C 2.252 178.882 176.870 -0.400 0.000 1.076 433 L CA 1.423 56.022 54.840 -0.402 0.000 0.749 433 L CB -1.409 40.269 42.059 -0.636 0.000 0.893 433 L HN -0.141 nan 8.230 nan 0.000 0.432 434 V N -0.451 119.185 119.914 -0.463 0.000 2.358 434 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 434 V C 2.558 178.485 176.094 -0.278 0.000 1.047 434 V CA 1.574 63.654 62.300 -0.368 0.000 1.035 434 V CB -0.541 31.065 31.823 -0.361 0.000 0.658 434 V HN 0.388 nan 8.190 nan 0.000 0.452 435 K N -0.003 120.224 120.400 -0.287 0.000 2.063 435 K HA -0.269 4.050 4.320 -0.000 0.000 0.208 435 K C 2.298 178.690 176.600 -0.346 0.000 1.048 435 K CA 1.874 57.997 56.287 -0.274 0.000 0.928 435 K CB -0.110 32.241 32.500 -0.248 0.000 0.713 435 K HN 0.282 nan 8.250 nan 0.000 0.442 436 K N 0.619 120.716 120.400 -0.504 0.000 2.007 436 K HA -0.056 4.264 4.320 -0.000 0.000 0.206 436 K C 1.993 178.325 176.600 -0.445 0.000 1.047 436 K CA 0.810 56.738 56.287 -0.598 0.000 0.937 436 K CB -0.025 31.907 32.500 -0.947 0.000 0.718 436 K HN -0.018 nan 8.250 nan 0.000 0.438 437 I N 2.099 122.482 120.570 -0.312 0.000 2.113 437 I HA -0.345 3.824 4.170 -0.000 0.000 0.242 437 I C 1.661 177.663 176.117 -0.192 0.000 1.064 437 I CA 1.598 62.776 61.300 -0.203 0.000 1.320 437 I CB -1.491 36.430 38.000 -0.131 0.000 1.028 437 I HN 0.271 nan 8.210 nan 0.000 0.406 438 N N 1.016 119.604 118.700 -0.188 0.000 2.223 438 N HA -0.187 4.553 4.740 -0.000 0.000 0.185 438 N C 1.656 177.073 175.510 -0.156 0.000 1.016 438 N CA 1.102 54.060 53.050 -0.153 0.000 0.863 438 N CB -0.650 37.754 38.487 -0.139 0.000 0.983 438 N HN 0.403 nan 8.380 nan 0.000 0.429 439 N N 0.558 119.143 118.700 -0.191 0.000 2.084 439 N HA -0.085 4.655 4.740 -0.000 0.000 0.190 439 N C 1.620 177.034 175.510 -0.160 0.000 1.030 439 N CA 0.759 53.705 53.050 -0.174 0.000 0.849 439 N CB -0.279 38.086 38.487 -0.203 0.000 1.012 439 N HN -0.059 nan 8.380 nan 0.000 0.423 440 V N 0.961 120.762 119.914 -0.189 0.000 2.282 440 V HA -0.222 3.897 4.120 -0.000 0.000 0.249 440 V C 1.912 177.933 176.094 -0.122 0.000 1.057 440 V CA 1.609 63.811 62.300 -0.164 0.000 1.032 440 V CB -0.566 31.144 31.823 -0.189 0.000 0.645 440 V HN 0.364 nan 8.190 nan 0.000 0.447 441 L N -1.333 119.821 121.223 -0.116 0.000 2.592 441 L HA 0.177 4.517 4.340 -0.000 0.000 0.227 441 L C 1.102 177.917 176.870 -0.092 0.000 1.127 441 L CA -0.020 54.763 54.840 -0.096 0.000 0.884 441 L CB -0.209 41.794 42.059 -0.092 0.000 1.065 441 L HN 0.325 nan 8.230 nan 0.000 0.457 442 C N 2.280 121.523 119.300 -0.096 0.000 2.176 442 C HA 0.362 4.821 4.460 -0.000 0.000 0.329 442 C C 0.930 175.875 174.990 -0.074 0.000 1.113 442 C CA -0.215 58.753 59.018 -0.083 0.000 1.562 442 C CB -0.337 27.352 27.740 -0.086 0.000 2.040 442 C HN 0.434 nan 8.230 nan 0.000 0.460 443 Q N 2.411 122.174 119.800 -0.062 0.000 2.064 443 Q HA 0.273 4.613 4.340 -0.000 0.000 0.213 443 Q C -0.578 175.398 176.000 -0.040 0.000 0.779 443 Q CA 0.128 55.899 55.803 -0.054 0.000 1.032 443 Q CB 1.178 29.883 28.738 -0.056 0.000 1.203 443 Q HN 0.868 nan 8.270 nan 0.000 0.457 444 E N 0.280 120.459 120.200 -0.035 0.000 2.422 444 E HA 0.271 4.621 4.350 -0.000 0.000 0.289 444 E C -1.511 175.079 176.600 -0.017 0.000 0.985 444 E CA -0.405 55.982 56.400 -0.021 0.000 0.812 444 E CB 1.347 31.040 29.700 -0.011 0.000 1.226 444 E HN -0.047 nan 8.360 nan 0.000 0.419 445 R N 2.548 123.041 120.500 -0.012 0.000 2.484 445 R HA 0.179 4.519 4.340 -0.000 0.000 0.293 445 R C -0.211 176.092 176.300 0.005 0.000 1.023 445 R CA 0.062 56.157 56.100 -0.008 0.000 1.037 445 R CB 0.289 30.584 30.300 -0.009 0.000 0.951 445 R HN 0.492 nan 8.270 nan 0.000 0.418 446 K N 2.856 123.264 120.400 0.014 0.000 2.107 446 K HA 0.429 4.749 4.320 -0.000 0.000 0.251 446 K C 0.075 176.684 176.600 0.015 0.000 1.012 446 K CA -0.103 56.211 56.287 0.045 0.000 0.920 446 K CB 1.296 33.847 32.500 0.085 0.000 1.033 446 K HN 0.450 nan 8.250 nan 0.000 0.478 447 A N 0.195 123.015 122.820 0.000 0.000 2.055 447 A HA 0.278 4.598 4.320 -0.000 0.000 0.205 447 A C -0.396 176.910 177.584 -0.464 0.000 1.235 447 A CA 0.375 52.271 52.037 -0.236 0.000 0.822 447 A CB -0.159 18.682 19.000 -0.264 0.000 0.903 447 A HN 0.623 nan 8.150 nan 0.000 0.473 448 Y N -1.867 118.560 120.300 0.211 0.000 2.655 448 Y HA 0.577 5.127 4.550 -0.000 0.000 0.336 448 Y C -0.651 175.508 175.900 0.431 0.000 1.154 448 Y CA -1.730 56.516 58.100 0.243 0.000 1.055 448 Y CB 1.313 39.855 38.460 0.138 0.000 1.295 448 Y HN 0.326 nan 8.280 nan 0.000 0.465 449 F N -0.814 119.406 119.950 0.449 0.000 2.662 449 F HA 0.886 5.413 4.527 -0.000 0.000 0.312 449 F C -2.093 173.936 175.800 0.383 0.000 1.113 449 F CA -1.529 56.698 58.000 0.379 0.000 0.951 449 F CB 1.315 40.426 39.000 0.186 0.000 1.344 449 F HN 0.273 nan 8.300 nan 0.000 0.462 450 I N 1.907 122.793 120.570 0.527 0.000 2.418 450 I HA 0.576 4.746 4.170 -0.000 0.000 0.287 450 I C 0.010 176.346 176.117 0.365 0.000 1.008 450 I CA -0.850 60.643 61.300 0.321 0.000 1.104 450 I CB 1.899 40.114 38.000 0.359 0.000 1.264 450 I HN 0.970 nan 8.210 nan 0.000 0.438 451 G N 5.825 114.837 108.800 0.354 0.000 2.335 451 G HA2 0.562 4.521 3.960 -0.000 0.000 0.316 451 G HA3 0.562 4.521 3.960 -0.000 0.000 0.316 451 G C -0.726 174.157 174.900 -0.028 0.000 1.129 451 G CA -0.327 44.790 45.100 0.027 0.000 0.899 451 G HN 0.333 nan 8.290 nan 0.000 0.448 452 V N 3.740 123.522 119.914 -0.219 0.000 2.347 452 V HA 0.263 4.383 4.120 -0.000 0.000 0.280 452 V C -0.160 175.938 176.094 0.007 0.000 1.021 452 V CA -0.844 61.435 62.300 -0.035 0.000 0.847 452 V CB 1.169 32.987 31.823 -0.007 0.000 0.990 452 V HN 0.613 nan 8.190 nan 0.000 0.444 453 L N 4.596 125.923 121.223 0.174 0.000 2.261 453 L HA 0.552 4.892 4.340 -0.000 0.000 0.289 453 L C -0.234 176.697 176.870 0.102 0.000 1.059 453 L CA 0.308 55.285 54.840 0.228 0.000 0.816 453 L CB 0.832 43.011 42.059 0.200 0.000 1.191 453 L HN 0.681 nan 8.230 nan 0.000 0.431 454 D N 5.451 125.897 120.400 0.076 0.000 2.458 454 D HA 0.227 4.867 4.640 -0.000 0.000 0.258 454 D C -0.177 176.108 176.300 -0.026 0.000 1.134 454 D CA -0.471 53.541 54.000 0.020 0.000 0.915 454 D CB 0.325 41.128 40.800 0.006 0.000 1.028 454 D HN 0.399 nan 8.370 nan 0.000 0.508 455 I N -0.762 119.792 120.570 -0.026 0.000 3.078 455 I HA 0.536 4.706 4.170 -0.000 0.000 0.318 455 I C 0.020 176.102 176.117 -0.058 0.000 1.016 455 I CA -0.728 60.541 61.300 -0.051 0.000 1.130 455 I CB 0.406 38.377 38.000 -0.049 0.000 1.397 455 I HN -0.003 nan 8.210 nan 0.000 0.570 456 S N 1.723 117.388 115.700 -0.058 0.000 2.516 456 S HA 0.467 4.937 4.470 -0.000 0.000 0.282 456 S C 0.434 175.028 174.600 -0.011 0.000 1.286 456 S CA -0.156 58.020 58.200 -0.039 0.000 1.066 456 S CB 0.087 63.268 63.200 -0.032 0.000 0.884 456 S HN 1.013 nan 8.310 nan 0.000 0.491 457 G N 1.639 110.443 108.800 0.006 0.000 2.504 457 G HA2 0.471 4.431 3.960 -0.000 0.000 0.288 457 G HA3 0.471 4.431 3.960 -0.000 0.000 0.288 457 G C -0.415 174.512 174.900 0.044 0.000 1.182 457 G CA -0.801 44.327 45.100 0.048 0.000 0.894 457 G HN 0.615 nan 8.290 nan 0.000 0.521 458 F N 1.192 121.117 119.950 -0.042 0.000 2.579 458 F HA 0.130 4.657 4.527 -0.000 0.000 0.397 458 F C 1.030 176.730 175.800 -0.166 0.000 1.027 458 F CA 0.682 58.622 58.000 -0.099 0.000 1.217 458 F CB 0.420 39.358 39.000 -0.104 0.000 0.986 458 F HN 0.593 nan 8.300 nan 0.000 0.551 459 E N 6.068 125.876 120.200 -0.652 0.000 2.383 459 E HA 0.691 5.041 4.350 -0.000 0.000 0.275 459 E C -1.569 174.561 176.600 -0.782 0.000 0.918 459 E CA -1.003 55.039 56.400 -0.595 0.000 0.764 459 E CB 2.301 31.616 29.700 -0.642 0.000 1.252 459 E HN 0.522 nan 8.360 nan 0.000 0.449 460 I N 1.796 121.946 120.570 -0.701 0.000 2.534 460 I HA 0.445 4.615 4.170 -0.000 0.000 0.288 460 I C -1.307 174.495 176.117 -0.525 0.000 1.077 460 I CA -0.814 60.174 61.300 -0.519 0.000 1.051 460 I CB 1.018 38.881 38.000 -0.228 0.000 1.234 460 I HN 0.454 nan 8.210 nan 0.000 0.425 461 F N 3.496 123.401 119.950 -0.075 0.000 2.639 461 F HA 0.492 5.018 4.527 -0.000 0.000 0.339 461 F C 1.461 177.240 175.800 -0.035 0.000 1.071 461 F CA -1.191 56.786 58.000 -0.039 0.000 0.994 461 F CB 1.078 40.069 39.000 -0.014 0.000 1.341 461 F HN 0.311 nan 8.300 nan 0.000 0.498 462 K N -0.084 120.439 120.400 0.204 0.000 2.103 462 K HA 0.007 4.327 4.320 -0.000 0.000 0.207 462 K C -0.154 176.504 176.600 0.097 0.000 1.048 462 K CA 1.186 57.532 56.287 0.099 0.000 0.930 462 K CB -0.145 32.398 32.500 0.071 0.000 0.716 462 K HN 0.165 nan 8.250 nan 0.000 0.444 463 V N 3.153 123.157 119.914 0.149 0.000 2.334 463 V HA 0.148 4.268 4.120 -0.000 0.000 0.281 463 V C -0.804 175.410 176.094 0.201 0.000 1.016 463 V CA -0.940 61.447 62.300 0.145 0.000 0.832 463 V CB 1.220 33.126 31.823 0.138 0.000 0.999 463 V HN 0.200 nan 8.190 nan 0.000 0.439 464 N N 3.066 121.854 118.700 0.145 0.000 2.424 464 N HA 0.467 5.207 4.740 -0.000 0.000 0.271 464 N C -0.198 175.544 175.510 0.387 0.000 0.985 464 N CA -0.085 53.076 53.050 0.185 0.000 0.921 464 N CB 2.268 40.688 38.487 -0.112 0.000 1.149 464 N HN 0.602 nan 8.380 nan 0.000 0.492 465 S N 0.760 116.714 115.700 0.423 0.000 2.721 465 S HA 0.364 4.834 4.470 -0.000 0.000 0.296 465 S C 0.912 175.710 174.600 0.330 0.000 1.093 465 S CA -0.519 57.993 58.200 0.521 0.000 0.959 465 S CB 0.355 63.749 63.200 0.324 0.000 1.301 465 S HN 0.406 nan 8.310 nan 0.000 0.550 466 F N 1.967 121.669 119.950 -0.413 0.000 2.171 466 F HA 0.009 4.535 4.527 -0.000 0.000 0.300 466 F C 1.923 177.452 175.800 -0.453 0.000 1.090 466 F CA 2.186 59.542 58.000 -1.074 0.000 1.293 466 F CB -0.734 37.527 39.000 -1.231 0.000 1.013 466 F HN 0.622 nan 8.300 nan 0.000 0.486 467 E N 0.027 120.073 120.200 -0.256 0.000 2.085 467 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 467 E C 2.078 178.557 176.600 -0.201 0.000 0.994 467 E CA 1.748 57.995 56.400 -0.254 0.000 0.801 467 E CB -0.355 29.308 29.700 -0.061 0.000 0.743 467 E HN 0.409 nan 8.360 nan 0.000 0.453 468 Q N -0.265 119.511 119.800 -0.041 0.000 2.172 468 Q HA -0.028 4.312 4.340 -0.000 0.000 0.200 468 Q C 1.971 177.992 176.000 0.034 0.000 0.964 468 Q CA 0.517 56.330 55.803 0.016 0.000 0.855 468 Q CB -0.154 28.663 28.738 0.131 0.000 0.918 468 Q HN 0.220 nan 8.270 nan 0.000 0.444 469 L N -0.447 120.746 121.223 -0.049 0.000 2.017 469 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 469 L C 1.793 178.605 176.870 -0.096 0.000 1.073 469 L CA 1.752 56.470 54.840 -0.203 0.000 0.745 469 L CB -0.741 41.066 42.059 -0.420 0.000 0.894 469 L HN 0.266 nan 8.230 nan 0.000 0.432 470 C N -0.511 118.618 119.300 -0.284 0.000 2.446 470 C HA -0.110 4.350 4.460 -0.000 0.000 0.277 470 C C 2.696 177.684 174.990 -0.004 0.000 1.275 470 C CA 0.316 59.238 59.018 -0.160 0.000 1.727 470 C CB -0.922 26.489 27.740 -0.547 0.000 2.010 470 C HN 0.552 nan 8.230 nan 0.000 0.486 471 I N 2.034 122.540 120.570 -0.106 0.000 2.142 471 I HA -0.147 4.023 4.170 -0.000 0.000 0.240 471 I C 2.049 178.147 176.117 -0.033 0.000 1.078 471 I CA 1.773 63.028 61.300 -0.074 0.000 1.343 471 I CB -1.501 36.425 38.000 -0.123 0.000 1.046 471 I HN 0.388 nan 8.210 nan 0.000 0.405 472 N N -0.114 118.527 118.700 -0.098 0.000 2.331 472 N HA -0.193 4.547 4.740 -0.000 0.000 0.180 472 N C 1.837 177.430 175.510 0.139 0.000 1.019 472 N CA 0.686 53.634 53.050 -0.171 0.000 0.881 472 N CB -0.519 37.566 38.487 -0.670 0.000 0.972 472 N HN 0.422 nan 8.380 nan 0.000 0.435 473 Y N 1.943 122.318 120.300 0.125 0.000 2.200 473 Y HA -0.110 4.440 4.550 -0.000 0.000 0.290 473 Y C 2.052 178.057 175.900 0.175 0.000 1.137 473 Y CA 1.433 59.668 58.100 0.225 0.000 1.163 473 Y CB -0.690 37.883 38.460 0.189 0.000 0.988 473 Y HN -0.060 nan 8.280 nan 0.000 0.518 474 T N 1.145 115.676 114.554 -0.039 0.000 2.708 474 T HA -0.197 4.152 4.350 -0.000 0.000 0.266 474 T C 1.743 176.391 174.700 -0.087 0.000 1.037 474 T CA 1.618 63.624 62.100 -0.157 0.000 1.146 474 T CB -0.393 68.491 68.868 0.028 0.000 0.865 474 T HN 0.469 nan 8.240 nan 0.000 0.435 475 N N 0.703 119.438 118.700 0.058 0.000 2.149 475 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 475 N C 2.029 177.571 175.510 0.053 0.000 1.019 475 N CA 1.172 54.304 53.050 0.138 0.000 0.857 475 N CB -0.166 38.548 38.487 0.378 0.000 0.997 475 N HN 0.472 nan 8.380 nan 0.000 0.426 476 E N 1.318 121.616 120.200 0.163 0.000 2.150 476 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 476 E C 1.662 178.209 176.600 -0.088 0.000 0.985 476 E CA 1.089 57.525 56.400 0.060 0.000 0.814 476 E CB 0.223 30.162 29.700 0.399 0.000 0.752 476 E HN 0.100 nan 8.360 nan 0.000 0.466 477 K N -0.065 120.254 120.400 -0.135 0.000 2.167 477 K HA -0.075 4.245 4.320 -0.000 0.000 0.203 477 K C 2.041 178.604 176.600 -0.062 0.000 1.052 477 K CA 0.472 56.679 56.287 -0.135 0.000 0.956 477 K CB -0.315 32.013 32.500 -0.286 0.000 0.735 477 K HN 0.204 nan 8.250 nan 0.000 0.451 478 L N 1.967 123.134 121.223 -0.094 0.000 2.056 478 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 478 L C 2.467 179.348 176.870 0.018 0.000 1.078 478 L CA 1.852 56.680 54.840 -0.020 0.000 0.749 478 L CB -0.752 41.281 42.059 -0.043 0.000 0.901 478 L HN 0.111 nan 8.230 nan 0.000 0.433 479 Q N -0.631 119.061 119.800 -0.180 0.000 2.124 479 Q HA -0.275 4.064 4.340 -0.000 0.000 0.202 479 Q C 2.250 178.219 176.000 -0.051 0.000 0.977 479 Q CA 2.026 57.670 55.803 -0.265 0.000 0.850 479 Q CB -0.347 27.921 28.738 -0.785 0.000 0.901 479 Q HN 0.607 nan 8.270 nan 0.000 0.429 480 Q N -1.037 118.756 119.800 -0.010 0.000 2.230 480 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 480 Q C 1.524 177.629 176.000 0.175 0.000 0.963 480 Q CA 1.264 57.119 55.803 0.086 0.000 0.866 480 Q CB -0.476 28.305 28.738 0.072 0.000 0.931 480 Q HN 0.514 nan 8.270 nan 0.000 0.452 481 F N -0.483 119.502 119.950 0.058 0.000 2.186 481 F HA -0.102 4.424 4.527 -0.000 0.000 0.299 481 F C 1.643 177.525 175.800 0.137 0.000 1.090 481 F CA 1.131 59.215 58.000 0.140 0.000 1.307 481 F CB -0.294 38.772 39.000 0.110 0.000 1.019 481 F HN 0.250 nan 8.300 nan 0.000 0.489 482 F N 1.329 121.200 119.950 -0.132 0.000 2.075 482 F HA -0.248 4.279 4.527 -0.000 0.000 0.297 482 F C 2.199 177.739 175.800 -0.433 0.000 1.113 482 F CA 2.032 59.635 58.000 -0.663 0.000 1.218 482 F CB -0.806 37.721 39.000 -0.788 0.000 0.984 482 F HN -0.118 nan 8.300 nan 0.000 0.472 483 N N -0.077 118.636 118.700 0.022 0.000 2.036 483 N HA -0.281 4.459 4.740 -0.000 0.000 0.195 483 N C 1.830 177.346 175.510 0.010 0.000 1.037 483 N CA 1.907 55.055 53.050 0.164 0.000 0.855 483 N CB -1.178 37.486 38.487 0.295 0.000 1.033 483 N HN 0.496 nan 8.380 nan 0.000 0.423 484 H N 0.622 119.643 119.070 -0.082 0.000 2.265 484 H HA -0.078 4.478 4.556 -0.000 0.000 0.295 484 H C 2.059 177.244 175.328 -0.239 0.000 1.084 484 H CA 2.048 58.031 56.048 -0.107 0.000 1.261 484 H CB -0.472 29.228 29.762 -0.103 0.000 1.360 484 H HN 0.390 nan 8.280 nan 0.000 0.487 485 H N -1.043 117.680 119.070 -0.580 0.000 2.353 485 H HA -0.109 4.447 4.556 -0.000 0.000 0.300 485 H C 2.181 177.113 175.328 -0.660 0.000 1.090 485 H CA 1.509 57.185 56.048 -0.620 0.000 1.327 485 H CB 0.228 29.720 29.762 -0.450 0.000 1.383 485 H HN 0.373 nan 8.280 nan 0.000 0.508 486 M N -0.416 118.678 119.600 -0.843 0.000 2.236 486 M HA -0.077 4.402 4.480 -0.000 0.000 0.266 486 M C 1.553 177.212 176.300 -1.068 0.000 1.070 486 M CA 1.302 55.870 55.300 -1.220 0.000 1.137 486 M CB -0.552 30.686 32.600 -2.269 0.000 1.378 486 M HN 0.169 nan 8.290 nan 0.000 0.426 487 F N -0.783 118.949 119.950 -0.365 0.000 2.592 487 F HA 0.175 4.702 4.527 -0.000 0.000 0.280 487 F C 2.358 178.100 175.800 -0.096 0.000 1.083 487 F CA 0.275 58.151 58.000 -0.205 0.000 1.365 487 F CB -0.579 38.363 39.000 -0.096 0.000 1.100 487 F HN -0.016 nan 8.300 nan 0.000 0.633 488 K N 1.079 121.485 120.400 0.010 0.000 2.029 488 K HA 0.077 4.396 4.320 -0.000 0.000 0.205 488 K C 1.904 178.383 176.600 -0.202 0.000 1.042 488 K CA 0.968 57.261 56.287 0.009 0.000 0.949 488 K CB -0.375 32.160 32.500 0.059 0.000 0.740 488 K HN 0.151 nan 8.250 nan 0.000 0.442 489 L N 1.052 121.973 121.223 -0.505 0.000 2.131 489 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 489 L C 2.466 179.065 176.870 -0.451 0.000 1.092 489 L CA 1.331 55.846 54.840 -0.541 0.000 0.759 489 L CB -0.343 41.217 42.059 -0.831 0.000 0.903 489 L HN 0.401 nan 8.230 nan 0.000 0.435 490 E N 0.330 120.246 120.200 -0.474 0.000 2.028 490 E HA -0.230 4.119 4.350 -0.000 0.000 0.191 490 E C 2.187 178.236 176.600 -0.919 0.000 0.988 490 E CA 1.421 57.447 56.400 -0.623 0.000 0.799 490 E CB -0.003 29.375 29.700 -0.536 0.000 0.755 490 E HN 0.389 nan 8.360 nan 0.000 0.447 491 Q N -0.108 119.361 119.800 -0.550 0.000 2.172 491 Q HA -0.116 4.223 4.340 -0.000 0.000 0.200 491 Q C 2.079 177.932 176.000 -0.245 0.000 0.964 491 Q CA 1.109 56.637 55.803 -0.459 0.000 0.855 491 Q CB -0.023 28.833 28.738 0.197 0.000 0.918 491 Q HN 0.383 nan 8.270 nan 0.000 0.444 492 E N 0.456 120.557 120.200 -0.164 0.000 2.209 492 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 492 E C 1.819 178.345 176.600 -0.125 0.000 0.993 492 E CA 0.737 57.081 56.400 -0.094 0.000 0.819 492 E CB 0.203 29.841 29.700 -0.102 0.000 0.745 492 E HN 0.278 nan 8.360 nan 0.000 0.477 493 E N -0.124 119.929 120.200 -0.245 0.000 2.008 493 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 493 E C 2.002 178.577 176.600 -0.041 0.000 0.986 493 E CA 0.853 57.153 56.400 -0.166 0.000 0.807 493 E CB -0.311 29.256 29.700 -0.222 0.000 0.766 493 E HN 0.319 nan 8.360 nan 0.000 0.450 494 Y N 1.100 121.269 120.300 -0.219 0.000 2.096 494 Y HA -0.244 4.306 4.550 -0.000 0.000 0.278 494 Y C 2.536 178.385 175.900 -0.085 0.000 1.192 494 Y CA 0.950 58.886 58.100 -0.274 0.000 1.143 494 Y CB -1.221 36.791 38.460 -0.745 0.000 0.963 494 Y HN 0.044 nan 8.280 nan 0.000 0.505 495 L N -0.682 120.630 121.223 0.149 0.000 2.156 495 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 495 L C 2.432 179.351 176.870 0.082 0.000 1.095 495 L CA 1.387 56.325 54.840 0.163 0.000 0.770 495 L CB -0.486 41.679 42.059 0.177 0.000 0.914 495 L HN 0.071 nan 8.230 nan 0.000 0.439 496 K N 0.602 121.026 120.400 0.040 0.000 2.001 496 K HA -0.139 4.180 4.320 -0.000 0.000 0.208 496 K C 1.691 178.301 176.600 0.017 0.000 1.048 496 K CA 1.285 57.581 56.287 0.015 0.000 0.932 496 K CB 0.072 32.564 32.500 -0.013 0.000 0.715 496 K HN 0.056 nan 8.250 nan 0.000 0.437 497 E N 1.316 121.528 120.200 0.019 0.000 2.403 497 E HA -0.008 4.342 4.350 -0.000 0.000 0.187 497 E C -0.611 175.992 176.600 0.006 0.000 1.073 497 E CA 0.041 56.445 56.400 0.007 0.000 0.888 497 E CB 0.332 30.032 29.700 0.000 0.000 1.035 497 E HN 0.182 nan 8.360 nan 0.000 0.471 498 K N 0.552 120.970 120.400 0.031 0.000 3.540 498 K HA -0.205 4.115 4.320 -0.000 0.000 0.274 498 K C 0.526 177.131 176.600 0.008 0.000 0.890 498 K CA 0.284 56.592 56.287 0.035 0.000 0.701 498 K CB -1.472 31.042 32.500 0.023 0.000 1.523 498 K HN 0.199 nan 8.250 nan 0.000 0.450 499 I N 0.399 120.965 120.570 -0.005 0.000 3.793 499 I HA -0.039 4.131 4.170 -0.000 0.000 0.315 499 I C 0.337 176.437 176.117 -0.029 0.000 1.275 499 I CA 0.154 61.404 61.300 -0.085 0.000 1.214 499 I CB -0.101 37.739 38.000 -0.267 0.000 1.018 499 I HN 0.332 nan 8.210 nan 0.000 0.439 500 N N 0.688 119.436 118.700 0.080 0.000 2.746 500 N HA -0.260 4.480 4.740 -0.000 0.000 0.250 500 N C -0.552 175.025 175.510 0.112 0.000 1.055 500 N CA 0.541 53.648 53.050 0.094 0.000 0.699 500 N CB -1.346 37.164 38.487 0.038 0.000 0.919 500 N HN 0.508 nan 8.380 nan 0.000 0.548 501 W N -0.973 120.310 121.300 -0.027 0.000 5.822 501 W HA -0.260 4.400 4.660 -0.000 0.000 0.422 501 W C -0.713 175.872 176.519 0.110 0.000 1.673 501 W CA 1.146 58.522 57.345 0.052 0.000 0.989 501 W CB -1.963 27.544 29.460 0.078 0.000 2.899 501 W HN 0.188 nan 8.180 nan 0.000 1.375 502 T N 2.423 116.598 114.554 -0.632 0.000 2.738 502 T HA 0.263 4.613 4.350 -0.000 0.000 0.298 502 T C -0.015 174.397 174.700 -0.479 0.000 0.962 502 T CA -0.602 61.256 62.100 -0.404 0.000 0.972 502 T CB 0.936 69.632 68.868 -0.288 0.000 0.928 502 T HN 0.162 nan 8.240 nan 0.000 0.474 503 F N 4.478 124.382 119.950 -0.075 0.000 2.635 503 F HA 0.190 4.717 4.527 -0.000 0.000 0.379 503 F C -0.235 175.561 175.800 -0.007 0.000 1.094 503 F CA -0.444 57.656 58.000 0.166 0.000 1.300 503 F CB 0.031 39.129 39.000 0.162 0.000 1.035 503 F HN 0.459 nan 8.300 nan 0.000 0.581 504 I N 5.051 125.053 120.570 -0.946 0.000 2.509 504 I HA 0.213 4.383 4.170 -0.000 0.000 0.293 504 I C -1.067 174.246 176.117 -1.340 0.000 1.020 504 I CA -1.035 59.683 61.300 -0.970 0.000 1.088 504 I CB 1.812 39.346 38.000 -0.776 0.000 1.267 504 I HN 0.430 nan 8.210 nan 0.000 0.430 505 D N 4.675 124.576 120.400 -0.830 0.000 2.359 505 D HA 0.291 4.931 4.640 -0.000 0.000 0.230 505 D C -0.047 175.965 176.300 -0.480 0.000 1.118 505 D CA -0.167 53.568 54.000 -0.442 0.000 0.844 505 D CB 0.733 41.491 40.800 -0.070 0.000 1.059 505 D HN 0.289 nan 8.370 nan 0.000 0.493 506 F N 1.859 121.658 119.950 -0.252 0.000 2.773 506 F HA 0.243 4.770 4.527 -0.000 0.000 0.304 506 F C 2.166 177.813 175.800 -0.256 0.000 1.129 506 F CA 0.257 58.052 58.000 -0.342 0.000 1.378 506 F CB 0.145 38.686 39.000 -0.765 0.000 1.095 506 F HN 0.659 nan 8.300 nan 0.000 0.565 507 G N 1.075 109.855 108.800 -0.034 0.000 2.187 507 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.261 507 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.261 507 G C 0.060 174.967 174.900 0.013 0.000 1.000 507 G CA 0.018 45.117 45.100 -0.002 0.000 0.718 507 G HN 0.329 nan 8.290 nan 0.000 0.519 508 L N 0.753 121.972 121.223 -0.006 0.000 2.295 508 L HA 0.627 4.967 4.340 -0.000 0.000 0.281 508 L C -0.701 176.226 176.870 0.094 0.000 1.018 508 L CA -0.708 54.152 54.840 0.034 0.000 0.841 508 L CB 1.702 43.758 42.059 -0.005 0.000 1.218 508 L HN 0.102 nan 8.230 nan 0.000 0.424 509 D N 1.113 121.575 120.400 0.104 0.000 2.548 509 D HA 0.140 4.780 4.640 -0.000 0.000 0.214 509 D C -0.275 176.094 176.300 0.114 0.000 1.345 509 D CA -0.272 53.798 54.000 0.117 0.000 0.945 509 D CB 1.882 42.751 40.800 0.116 0.000 1.499 509 D HN 0.201 nan 8.370 nan 0.000 0.579 510 S N 2.320 118.089 115.700 0.115 0.000 2.660 510 S HA -0.042 4.427 4.470 -0.000 0.000 0.227 510 S C 1.414 176.089 174.600 0.125 0.000 0.948 510 S CA -0.186 58.091 58.200 0.129 0.000 0.948 510 S CB 0.561 63.832 63.200 0.119 0.000 0.779 510 S HN 0.403 nan 8.310 nan 0.000 0.487 511 Q N 2.767 122.632 119.800 0.109 0.000 2.079 511 Q HA 0.073 4.413 4.340 -0.000 0.000 0.200 511 Q C 2.109 178.167 176.000 0.096 0.000 0.974 511 Q CA 1.802 57.665 55.803 0.100 0.000 0.840 511 Q CB -0.634 28.156 28.738 0.087 0.000 0.898 511 Q HN 0.521 nan 8.270 nan 0.000 0.430 512 A N -0.855 122.019 122.820 0.089 0.000 1.908 512 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 512 A C 2.302 179.931 177.584 0.074 0.000 1.181 512 A CA 2.087 54.169 52.037 0.075 0.000 0.627 512 A CB -1.031 18.013 19.000 0.072 0.000 0.818 512 A HN 0.469 nan 8.150 nan 0.000 0.445 513 T N 0.250 114.864 114.554 0.101 0.000 2.812 513 T HA -0.052 4.298 4.350 -0.000 0.000 0.264 513 T C 1.817 176.604 174.700 0.144 0.000 1.042 513 T CA 1.226 63.390 62.100 0.107 0.000 1.140 513 T CB -0.254 68.702 68.868 0.147 0.000 0.870 513 T HN 0.308 nan 8.240 nan 0.000 0.445 514 I N 2.076 122.757 120.570 0.185 0.000 2.163 514 I HA -0.161 4.009 4.170 -0.000 0.000 0.243 514 I C 2.131 178.350 176.117 0.170 0.000 1.085 514 I CA 1.572 63.022 61.300 0.249 0.000 1.347 514 I CB -1.140 36.989 38.000 0.215 0.000 1.044 514 I HN 0.219 nan 8.210 nan 0.000 0.408 515 D N 0.724 121.186 120.400 0.104 0.000 2.117 515 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 515 D C 2.166 178.466 176.300 -0.001 0.000 0.987 515 D CA 0.856 54.891 54.000 0.058 0.000 0.829 515 D CB -0.465 40.366 40.800 0.052 0.000 0.961 515 D HN 0.226 nan 8.370 nan 0.000 0.460 516 L N 0.376 121.576 121.223 -0.038 0.000 2.187 516 L HA -0.126 4.213 4.340 -0.000 0.000 0.213 516 L C 1.830 178.578 176.870 -0.204 0.000 1.100 516 L CA 1.428 56.153 54.840 -0.192 0.000 0.765 516 L CB -0.208 41.740 42.059 -0.185 0.000 0.904 516 L HN 0.004 nan 8.230 nan 0.000 0.437 517 I N -0.482 120.038 120.570 -0.084 0.000 2.512 517 I HA -0.041 4.129 4.170 -0.000 0.000 0.247 517 I C 1.179 177.200 176.117 -0.160 0.000 1.094 517 I CA 1.009 62.240 61.300 -0.115 0.000 1.427 517 I CB -0.257 37.665 38.000 -0.131 0.000 1.149 517 I HN 0.323 nan 8.210 nan 0.000 0.438 518 D N 0.477 120.795 120.400 -0.136 0.000 2.462 518 D HA 0.115 4.755 4.640 -0.000 0.000 0.221 518 D C 0.779 177.079 176.300 -0.000 0.000 1.173 518 D CA -0.182 53.758 54.000 -0.099 0.000 0.831 518 D CB -0.410 40.344 40.800 -0.076 0.000 1.001 518 D HN 0.087 nan 8.370 nan 0.000 0.499 519 G N 0.364 109.170 108.800 0.011 0.000 2.441 519 G HA2 0.144 4.104 3.960 -0.000 0.000 0.243 519 G HA3 0.144 4.104 3.960 -0.000 0.000 0.243 519 G C 0.517 175.441 174.900 0.040 0.000 1.281 519 G CA -0.604 44.518 45.100 0.037 0.000 0.854 519 G HN 0.190 nan 8.290 nan 0.000 0.560 520 R N 0.370 120.895 120.500 0.041 0.000 2.121 520 R HA 0.135 4.474 4.340 -0.000 0.000 0.206 520 R C 0.184 176.507 176.300 0.039 0.000 1.094 520 R CA 0.612 56.734 56.100 0.036 0.000 1.055 520 R CB 0.311 30.630 30.300 0.032 0.000 0.964 520 R HN 0.593 nan 8.270 nan 0.000 0.473 521 Q N 1.168 120.993 119.800 0.042 0.000 2.274 521 Q HA 0.336 4.676 4.340 -0.000 0.000 0.268 521 Q C -2.430 173.600 176.000 0.050 0.000 1.015 521 Q CA -1.989 53.840 55.803 0.043 0.000 0.775 521 Q CB 2.274 31.030 28.738 0.031 0.000 1.256 521 Q HN 0.186 nan 8.270 nan 0.000 0.442 522 P HA 0.031 nan 4.420 nan 0.000 0.267 522 P C -2.633 174.729 177.300 0.104 0.000 1.195 522 P CA -0.802 62.348 63.100 0.084 0.000 0.773 522 P CB -0.307 31.455 31.700 0.103 0.000 0.837 523 P HA 0.181 nan 4.420 nan 0.000 0.281 523 P C 0.317 177.729 177.300 0.186 0.000 1.252 523 P CA 0.112 63.264 63.100 0.087 0.000 0.778 523 P CB 0.996 32.704 31.700 0.013 0.000 0.895 524 G N 1.856 110.738 108.800 0.137 0.000 2.531 524 G HA2 0.290 4.249 3.960 -0.000 0.000 0.281 524 G HA3 0.290 4.249 3.960 -0.000 0.000 0.281 524 G C 1.024 176.007 174.900 0.138 0.000 1.382 524 G CA -0.798 44.371 45.100 0.114 0.000 1.045 524 G HN 0.377 nan 8.290 nan 0.000 0.533 525 I N -0.367 120.211 120.570 0.013 0.000 2.252 525 I HA -0.081 4.088 4.170 -0.000 0.000 0.245 525 I C 2.592 178.769 176.117 0.100 0.000 1.102 525 I CA 0.728 62.075 61.300 0.078 0.000 1.385 525 I CB -0.096 37.928 38.000 0.041 0.000 1.064 525 I HN 0.268 nan 8.210 nan 0.000 0.414 526 L N 0.199 121.464 121.223 0.070 0.000 2.093 526 L HA -0.153 4.186 4.340 -0.000 0.000 0.208 526 L C 2.797 179.706 176.870 0.066 0.000 1.085 526 L CA 1.133 56.029 54.840 0.094 0.000 0.755 526 L CB -0.725 41.358 42.059 0.040 0.000 0.904 526 L HN 0.237 nan 8.230 nan 0.000 0.435 527 A N 0.432 123.274 122.820 0.038 0.000 1.873 527 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 527 A C 2.229 179.805 177.584 -0.014 0.000 1.186 527 A CA 1.170 53.217 52.037 0.017 0.000 0.616 527 A CB -0.663 18.345 19.000 0.014 0.000 0.823 527 A HN 0.322 nan 8.150 nan 0.000 0.442 528 L N -0.847 120.349 121.223 -0.045 0.000 2.079 528 L HA -0.189 4.150 4.340 -0.000 0.000 0.210 528 L C 2.559 179.398 176.870 -0.052 0.000 1.081 528 L CA 1.134 55.902 54.840 -0.121 0.000 0.752 528 L CB -0.646 41.266 42.059 -0.244 0.000 0.896 528 L HN 0.458 nan 8.230 nan 0.000 0.433 529 L N 0.087 121.317 121.223 0.012 0.000 2.012 529 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 529 L C 2.046 178.934 176.870 0.029 0.000 1.073 529 L CA 1.954 56.823 54.840 0.048 0.000 0.748 529 L CB -0.733 41.398 42.059 0.121 0.000 0.891 529 L HN 0.187 nan 8.230 nan 0.000 0.431 530 D N -0.494 119.924 120.400 0.030 0.000 2.117 530 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 530 D C 2.058 178.376 176.300 0.029 0.000 0.987 530 D CA 1.241 55.260 54.000 0.032 0.000 0.829 530 D CB 0.005 40.829 40.800 0.040 0.000 0.961 530 D HN 0.499 nan 8.370 nan 0.000 0.460 531 E N 0.321 120.525 120.200 0.007 0.000 2.026 531 E HA -0.221 4.129 4.350 -0.000 0.000 0.206 531 E C 2.114 178.741 176.600 0.044 0.000 1.028 531 E CA 1.122 57.520 56.400 -0.003 0.000 0.845 531 E CB 0.069 29.734 29.700 -0.059 0.000 0.772 531 E HN 0.204 nan 8.360 nan 0.000 0.462 532 Q N 0.049 119.874 119.800 0.042 0.000 2.173 532 Q HA -0.170 4.170 4.340 -0.000 0.000 0.208 532 Q C 2.332 178.414 176.000 0.137 0.000 0.989 532 Q CA 1.286 57.165 55.803 0.127 0.000 0.872 532 Q CB -0.329 28.454 28.738 0.076 0.000 0.909 532 Q HN 0.154 nan 8.270 nan 0.000 0.420 533 S N 0.374 116.121 115.700 0.078 0.000 2.419 533 S HA -0.088 4.381 4.470 -0.000 0.000 0.233 533 S C 1.742 176.385 174.600 0.071 0.000 1.016 533 S CA 1.202 59.437 58.200 0.057 0.000 0.974 533 S CB 0.022 63.242 63.200 0.032 0.000 0.786 533 S HN 0.437 nan 8.310 nan 0.000 0.492 534 V N -1.545 118.427 119.914 0.097 0.000 3.214 534 V HA 0.499 4.619 4.120 -0.000 0.000 0.330 534 V C -0.265 175.925 176.094 0.160 0.000 1.403 534 V CA -0.661 61.696 62.300 0.095 0.000 1.143 534 V CB -0.639 31.226 31.823 0.071 0.000 1.098 534 V HN 0.256 nan 8.190 nan 0.000 0.463 535 F N 2.956 122.902 119.950 -0.006 0.000 2.385 535 F HA 0.711 5.237 4.527 -0.000 0.000 0.360 535 F C -1.780 174.017 175.800 -0.006 0.000 1.122 535 F CA -3.155 54.840 58.000 -0.009 0.000 1.090 535 F CB 2.078 41.070 39.000 -0.015 0.000 1.150 535 F HN -0.018 nan 8.300 nan 0.000 0.472 536 P HA -0.117 nan 4.420 nan 0.000 0.219 536 P C 0.315 177.331 177.300 -0.473 0.000 1.146 536 P CA 1.320 64.242 63.100 -0.296 0.000 0.808 536 P CB 0.278 31.868 31.700 -0.183 0.000 0.779 537 N N -0.939 117.171 118.700 -0.983 0.000 2.251 537 N HA 0.191 4.930 4.740 -0.000 0.000 0.217 537 N C 0.217 175.386 175.510 -0.569 0.000 1.124 537 N CA -0.075 52.550 53.050 -0.707 0.000 0.843 537 N CB 0.287 38.398 38.487 -0.628 0.000 1.024 537 N HN 0.051 nan 8.380 nan 0.000 0.501 538 A N 0.902 123.425 122.820 -0.494 0.000 2.388 538 A HA 0.478 4.798 4.320 -0.000 0.000 0.257 538 A C 0.841 178.393 177.584 -0.053 0.000 1.095 538 A CA -0.050 51.938 52.037 -0.082 0.000 0.791 538 A CB 0.301 19.373 19.000 0.120 0.000 1.029 538 A HN 0.229 nan 8.150 nan 0.000 0.489 539 T N -1.429 113.122 114.554 -0.006 0.000 2.907 539 T HA 0.446 4.796 4.350 -0.000 0.000 0.290 539 T C 0.112 174.812 174.700 -0.001 0.000 1.066 539 T CA -0.458 61.635 62.100 -0.011 0.000 1.012 539 T CB 1.234 70.092 68.868 -0.016 0.000 1.184 539 T HN 0.379 nan 8.240 nan 0.000 0.522 540 D N 0.379 120.777 120.400 -0.004 0.000 2.182 540 D HA -0.094 4.546 4.640 -0.000 0.000 0.201 540 D C 1.713 177.989 176.300 -0.039 0.000 0.986 540 D CA 1.323 55.314 54.000 -0.015 0.000 0.847 540 D CB -0.260 40.536 40.800 -0.006 0.000 0.942 540 D HN 0.643 nan 8.370 nan 0.000 0.467 541 N N -0.559 118.125 118.700 -0.026 0.000 2.171 541 N HA -0.110 4.630 4.740 -0.000 0.000 0.184 541 N C 1.785 177.276 175.510 -0.032 0.000 1.021 541 N CA 1.520 54.552 53.050 -0.030 0.000 0.854 541 N CB 0.066 38.545 38.487 -0.013 0.000 0.994 541 N HN 0.214 nan 8.380 nan 0.000 0.426 542 T N -0.361 114.189 114.554 -0.007 0.000 2.995 542 T HA -0.048 4.302 4.350 -0.000 0.000 0.269 542 T C 1.824 176.509 174.700 -0.025 0.000 1.091 542 T CA 0.387 62.492 62.100 0.009 0.000 1.128 542 T CB -0.199 68.715 68.868 0.077 0.000 0.891 542 T HN 0.043 nan 8.240 nan 0.000 0.492 543 L N 0.714 121.912 121.223 -0.042 0.000 2.027 543 L HA 0.243 4.583 4.340 -0.000 0.000 0.206 543 L C 2.238 179.005 176.870 -0.171 0.000 1.074 543 L CA 1.391 56.181 54.840 -0.082 0.000 0.745 543 L CB -1.003 41.019 42.059 -0.062 0.000 0.898 543 L HN 0.300 nan 8.230 nan 0.000 0.433 544 I N -0.909 119.536 120.570 -0.208 0.000 2.252 544 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 544 I C 2.188 178.015 176.117 -0.482 0.000 1.102 544 I CA 1.792 62.873 61.300 -0.365 0.000 1.385 544 I CB -0.509 37.304 38.000 -0.310 0.000 1.064 544 I HN 0.302 nan 8.210 nan 0.000 0.414 545 T N 0.671 115.075 114.554 -0.249 0.000 2.665 545 T HA -0.291 4.059 4.350 -0.000 0.000 0.268 545 T C 1.964 176.600 174.700 -0.105 0.000 1.035 545 T CA 2.021 64.049 62.100 -0.122 0.000 1.151 545 T CB -0.301 68.543 68.868 -0.039 0.000 0.862 545 T HN 0.355 nan 8.240 nan 0.000 0.438 546 K N 0.504 120.830 120.400 -0.123 0.000 2.057 546 K HA 0.015 4.335 4.320 -0.000 0.000 0.206 546 K C 2.271 178.761 176.600 -0.183 0.000 1.050 546 K CA 0.900 57.124 56.287 -0.105 0.000 0.935 546 K CB -0.251 32.172 32.500 -0.129 0.000 0.715 546 K HN 0.284 nan 8.250 nan 0.000 0.439 547 L N 0.342 121.407 121.223 -0.263 0.000 1.989 547 L HA -0.244 4.096 4.340 -0.000 0.000 0.211 547 L C 2.567 179.299 176.870 -0.231 0.000 1.071 547 L CA 1.322 55.987 54.840 -0.291 0.000 0.749 547 L CB -0.823 41.072 42.059 -0.273 0.000 0.890 547 L HN 0.349 nan 8.230 nan 0.000 0.431 548 H N -1.125 117.903 119.070 -0.069 0.000 2.352 548 H HA -0.165 4.391 4.556 -0.000 0.000 0.299 548 H C 2.611 177.853 175.328 -0.144 0.000 1.097 548 H CA 1.582 57.621 56.048 -0.015 0.000 1.311 548 H CB -0.525 29.277 29.762 0.066 0.000 1.377 548 H HN 0.221 nan 8.280 nan 0.000 0.504 549 S N -0.332 115.357 115.700 -0.019 0.000 2.382 549 S HA -0.165 4.305 4.470 -0.000 0.000 0.228 549 S C 1.925 176.365 174.600 -0.267 0.000 1.027 549 S CA 1.006 59.144 58.200 -0.103 0.000 0.991 549 S CB -0.189 62.960 63.200 -0.086 0.000 0.823 549 S HN 0.579 nan 8.310 nan 0.000 0.469 550 H N -1.715 117.016 119.070 -0.565 0.000 2.436 550 H HA 0.045 4.601 4.556 -0.000 0.000 0.294 550 H C 0.968 175.813 175.328 -0.805 0.000 1.048 550 H CA 1.357 56.908 56.048 -0.829 0.000 1.353 550 H CB 0.107 29.019 29.762 -1.417 0.000 1.414 550 H HN 0.499 nan 8.280 nan 0.000 0.536 551 F N -0.458 119.324 119.950 -0.280 0.000 2.778 551 F HA 0.160 4.687 4.527 -0.000 0.000 0.314 551 F C 1.276 176.913 175.800 -0.272 0.000 1.073 551 F CA -0.357 57.381 58.000 -0.437 0.000 1.218 551 F CB -0.038 38.323 39.000 -1.066 0.000 1.037 551 F HN -0.233 nan 8.300 nan 0.000 0.594 552 S N 1.262 116.942 115.700 -0.033 0.000 2.525 552 S HA 0.171 4.640 4.470 -0.000 0.000 0.285 552 S C 0.775 175.431 174.600 0.094 0.000 1.283 552 S CA -0.042 58.255 58.200 0.161 0.000 1.072 552 S CB -0.048 63.229 63.200 0.129 0.000 0.867 552 S HN 0.361 nan 8.310 nan 0.000 0.492 553 K N 2.270 122.746 120.400 0.128 0.000 3.130 553 K HA -0.199 4.120 4.320 -0.000 0.000 0.282 553 K C 0.512 177.152 176.600 0.067 0.000 1.145 553 K CA 1.905 58.241 56.287 0.082 0.000 0.831 553 K CB -1.150 31.377 32.500 0.045 0.000 1.226 553 K HN 0.721 nan 8.250 nan 0.000 0.478 554 K N -1.323 119.129 120.400 0.086 0.000 2.493 554 K HA 0.139 4.458 4.320 -0.000 0.000 0.201 554 K C 0.155 176.823 176.600 0.114 0.000 1.355 554 K CA -0.279 56.054 56.287 0.077 0.000 0.953 554 K CB 0.412 32.940 32.500 0.046 0.000 1.316 554 K HN 0.076 nan 8.250 nan 0.000 0.522 555 N N 0.848 119.645 118.700 0.161 0.000 2.419 555 N HA 0.208 4.948 4.740 -0.000 0.000 0.277 555 N C 0.120 175.724 175.510 0.156 0.000 1.006 555 N CA 0.057 53.197 53.050 0.150 0.000 0.923 555 N CB 1.862 40.422 38.487 0.122 0.000 1.140 555 N HN 0.131 nan 8.380 nan 0.000 0.488 556 A N 3.884 126.772 122.820 0.113 0.000 2.121 556 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 556 A C 1.400 179.050 177.584 0.110 0.000 1.154 556 A CA 1.165 53.264 52.037 0.103 0.000 0.679 556 A CB 0.032 19.079 19.000 0.078 0.000 0.795 556 A HN 0.571 nan 8.150 nan 0.000 0.458 557 K N -1.532 118.938 120.400 0.116 0.000 2.387 557 K HA 0.190 4.510 4.320 -0.000 0.000 0.198 557 K C -0.794 175.898 176.600 0.154 0.000 1.022 557 K CA -0.056 56.295 56.287 0.106 0.000 1.128 557 K CB -0.093 32.451 32.500 0.072 0.000 0.853 557 K HN 0.577 nan 8.250 nan 0.000 0.523 558 Y N 0.959 121.298 120.300 0.065 0.000 2.468 558 Y HA 0.347 4.897 4.550 -0.000 0.000 0.342 558 Y C -0.927 175.054 175.900 0.134 0.000 1.021 558 Y CA -1.106 57.063 58.100 0.115 0.000 1.079 558 Y CB 1.639 40.172 38.460 0.122 0.000 1.226 558 Y HN -0.011 nan 8.280 nan 0.000 0.460 559 E N 4.415 124.454 120.200 -0.270 0.000 2.290 559 E HA 0.185 4.535 4.350 -0.000 0.000 0.274 559 E C -1.801 174.657 176.600 -0.236 0.000 0.889 559 E CA -0.763 55.584 56.400 -0.088 0.000 0.760 559 E CB 1.513 31.198 29.700 -0.026 0.000 1.206 559 E HN 0.777 nan 8.360 nan 0.000 0.419 560 E N 6.094 126.266 120.200 -0.046 0.000 2.089 560 E HA 0.267 4.617 4.350 -0.000 0.000 0.284 560 E C -2.075 174.378 176.600 -0.244 0.000 1.023 560 E CA -2.107 54.157 56.400 -0.226 0.000 0.819 560 E CB 0.815 30.267 29.700 -0.413 0.000 1.076 560 E HN 0.283 nan 8.360 nan 0.000 0.396 561 P HA 0.070 nan 4.420 nan 0.000 0.271 561 P C -0.287 176.726 177.300 -0.478 0.000 1.218 561 P CA -0.100 62.666 63.100 -0.557 0.000 0.780 561 P CB 0.928 31.869 31.700 -1.266 0.000 0.901 562 R N 1.178 121.503 120.500 -0.291 0.000 2.297 562 R HA 0.092 4.431 4.340 -0.000 0.000 0.197 562 R C 1.260 177.515 176.300 -0.075 0.000 0.943 562 R CA 0.850 56.876 56.100 -0.123 0.000 1.038 562 R CB -0.386 29.919 30.300 0.009 0.000 0.957 562 R HN 0.550 nan 8.270 nan 0.000 0.484 563 F N -1.790 118.161 119.950 0.002 0.000 2.695 563 F HA 0.408 4.934 4.527 -0.000 0.000 0.303 563 F C 0.285 176.094 175.800 0.014 0.000 1.091 563 F CA -0.772 57.231 58.000 0.006 0.000 1.300 563 F CB 0.420 39.421 39.000 0.001 0.000 1.071 563 F HN -0.254 nan 8.300 nan 0.000 0.578 564 S N 0.114 115.653 115.700 -0.269 0.000 2.537 564 S HA 0.410 4.880 4.470 -0.000 0.000 0.271 564 S C -0.370 174.169 174.600 -0.102 0.000 1.148 564 S CA -0.827 57.303 58.200 -0.117 0.000 0.868 564 S CB 1.562 64.705 63.200 -0.094 0.000 1.115 564 S HN 0.274 nan 8.310 nan 0.000 0.461 565 K N 1.396 121.791 120.400 -0.008 0.000 2.358 565 K HA 0.165 4.484 4.320 -0.000 0.000 0.200 565 K C 0.956 177.598 176.600 0.069 0.000 1.030 565 K CA 0.520 56.834 56.287 0.045 0.000 1.097 565 K CB 0.470 32.995 32.500 0.042 0.000 0.862 565 K HN 0.711 nan 8.250 nan 0.000 0.534 566 T N -2.330 112.247 114.554 0.038 0.000 3.044 566 T HA 0.221 4.570 4.350 -0.000 0.000 0.260 566 T C 0.181 174.894 174.700 0.021 0.000 1.019 566 T CA -0.405 61.706 62.100 0.018 0.000 0.921 566 T CB 0.219 69.093 68.868 0.011 0.000 1.053 566 T HN -0.048 nan 8.240 nan 0.000 0.533 567 E N 0.901 121.127 120.200 0.044 0.000 2.299 567 E HA 0.649 4.999 4.350 -0.000 0.000 0.265 567 E C -1.454 175.233 176.600 0.146 0.000 0.911 567 E CA -1.291 55.123 56.400 0.024 0.000 0.789 567 E CB 2.097 31.787 29.700 -0.017 0.000 1.246 567 E HN 0.452 nan 8.360 nan 0.000 0.427 568 F N -1.599 118.356 119.950 0.007 0.000 2.578 568 F HA 0.739 5.266 4.527 -0.000 0.000 0.311 568 F C -0.220 175.531 175.800 -0.082 0.000 1.094 568 F CA -1.059 56.895 58.000 -0.077 0.000 0.923 568 F CB 1.225 40.191 39.000 -0.058 0.000 1.230 568 F HN 0.402 nan 8.300 nan 0.000 0.450 569 G N 1.773 110.502 108.800 -0.118 0.000 2.348 569 G HA2 0.562 4.521 3.960 -0.000 0.000 0.312 569 G HA3 0.562 4.521 3.960 -0.000 0.000 0.312 569 G C -1.681 173.227 174.900 0.014 0.000 1.126 569 G CA -0.898 44.158 45.100 -0.073 0.000 0.865 569 G HN 0.685 nan 8.290 nan 0.000 0.474 570 V N 1.935 121.932 119.914 0.139 0.000 2.384 570 V HA 0.295 4.415 4.120 -0.000 0.000 0.287 570 V C 0.340 176.437 176.094 0.005 0.000 1.020 570 V CA -0.619 61.752 62.300 0.118 0.000 0.850 570 V CB 1.714 33.656 31.823 0.199 0.000 0.987 570 V HN 0.758 nan 8.190 nan 0.000 0.436 571 T N 5.566 120.119 114.554 -0.003 0.000 2.855 571 T HA 0.266 4.616 4.350 -0.000 0.000 0.290 571 T C 0.129 174.845 174.700 0.026 0.000 0.941 571 T CA -0.021 62.100 62.100 0.035 0.000 1.030 571 T CB -0.667 68.234 68.868 0.055 0.000 0.935 571 T HN 0.545 nan 8.240 nan 0.000 0.564 572 H N 1.883 121.071 119.070 0.197 0.000 2.505 572 H HA 0.100 4.655 4.556 -0.000 0.000 0.358 572 H C 1.260 176.632 175.328 0.074 0.000 1.304 572 H CA -0.578 55.612 56.048 0.237 0.000 1.393 572 H CB 0.645 30.648 29.762 0.402 0.000 1.591 572 H HN 0.689 nan 8.280 nan 0.000 0.595 573 Y N -0.241 120.148 120.300 0.149 0.000 2.207 573 Y HA -0.057 4.493 4.550 -0.000 0.000 0.287 573 Y C 1.935 177.753 175.900 -0.136 0.000 1.156 573 Y CA 1.069 59.171 58.100 0.003 0.000 1.182 573 Y CB -0.684 37.777 38.460 0.001 0.000 0.979 573 Y HN 0.455 nan 8.280 nan 0.000 0.521 574 A N 0.506 122.475 122.820 -1.417 0.000 2.278 574 A HA 0.578 4.898 4.320 -0.000 0.000 0.212 574 A C 1.150 178.308 177.584 -0.711 0.000 1.213 574 A CA 0.592 51.836 52.037 -1.322 0.000 0.840 574 A CB -1.095 16.503 19.000 -2.337 0.000 0.866 574 A HN 1.065 nan 8.150 nan 0.000 0.489 575 G N -1.315 107.288 108.800 -0.329 0.000 2.357 575 G HA2 0.142 4.102 3.960 -0.000 0.000 0.643 575 G HA3 0.142 4.102 3.960 -0.000 0.000 0.643 575 G C -0.757 174.216 174.900 0.121 0.000 1.358 575 G CA -0.472 44.585 45.100 -0.071 0.000 0.986 575 G HN 0.436 nan 8.290 nan 0.000 0.620 576 Q N -0.611 119.240 119.800 0.085 0.000 2.314 576 Q HA 0.552 4.892 4.340 -0.000 0.000 0.258 576 Q C -0.465 175.586 176.000 0.084 0.000 0.954 576 Q CA -0.378 55.485 55.803 0.099 0.000 0.890 576 Q CB 1.146 29.913 28.738 0.048 0.000 1.210 576 Q HN 0.619 nan 8.270 nan 0.000 0.410 577 V N 5.199 125.152 119.914 0.066 0.000 2.531 577 V HA 0.332 4.452 4.120 -0.000 0.000 0.301 577 V C -0.294 175.569 176.094 -0.385 0.000 1.034 577 V CA -0.850 61.337 62.300 -0.188 0.000 0.865 577 V CB 1.841 33.490 31.823 -0.291 0.000 0.995 577 V HN 0.875 nan 8.190 nan 0.000 0.424 578 M N 4.863 124.248 119.600 -0.359 0.000 2.120 578 M HA 0.465 4.945 4.480 -0.000 0.000 0.354 578 M C -1.047 174.965 176.300 -0.480 0.000 1.287 578 M CA -0.119 55.002 55.300 -0.297 0.000 1.103 578 M CB 0.579 33.152 32.600 -0.046 0.000 1.623 578 M HN 0.553 nan 8.290 nan 0.000 0.471 579 Y N 0.948 121.020 120.300 -0.379 0.000 2.360 579 Y HA 0.371 4.920 4.550 -0.000 0.000 0.337 579 Y C 0.387 176.099 175.900 -0.313 0.000 1.039 579 Y CA -0.989 56.909 58.100 -0.337 0.000 1.109 579 Y CB 1.161 39.334 38.460 -0.479 0.000 1.201 579 Y HN 0.518 nan 8.280 nan 0.000 0.458 580 E N 2.420 122.670 120.200 0.084 0.000 2.167 580 E HA 0.208 4.558 4.350 -0.000 0.000 0.284 580 E C -0.128 176.462 176.600 -0.017 0.000 1.016 580 E CA -0.156 56.271 56.400 0.046 0.000 0.817 580 E CB 0.975 30.737 29.700 0.104 0.000 1.080 580 E HN 0.668 nan 8.360 nan 0.000 0.397 581 I N 3.272 123.716 120.570 -0.209 0.000 3.111 581 I HA -0.039 4.131 4.170 -0.000 0.000 0.272 581 I C 0.875 176.893 176.117 -0.164 0.000 1.268 581 I CA 0.555 61.553 61.300 -0.504 0.000 1.467 581 I CB -0.323 37.475 38.000 -0.336 0.000 1.087 581 I HN 0.693 nan 8.210 nan 0.000 0.467 582 Q N 1.320 121.135 119.800 0.025 0.000 2.320 582 Q HA -0.148 4.192 4.340 -0.000 0.000 0.311 582 Q C -0.001 176.129 176.000 0.217 0.000 1.083 582 Q CA 0.931 56.790 55.803 0.093 0.000 1.001 582 Q CB 0.115 28.893 28.738 0.068 0.000 1.074 582 Q HN 0.370 nan 8.270 nan 0.000 0.379 583 D N 2.477 122.974 120.400 0.161 0.000 3.006 583 D HA -0.218 4.421 4.640 -0.000 0.000 0.205 583 D C -0.187 176.250 176.300 0.229 0.000 1.075 583 D CA 0.992 55.086 54.000 0.156 0.000 1.000 583 D CB -1.258 39.609 40.800 0.113 0.000 1.097 583 D HN 0.688 nan 8.370 nan 0.000 0.426 584 W N 1.157 122.430 121.300 -0.046 0.000 2.402 584 W HA 0.120 4.780 4.660 -0.000 0.000 0.286 584 W C 2.464 178.849 176.519 -0.225 0.000 1.221 584 W CA 0.642 57.892 57.345 -0.158 0.000 1.257 584 W CB -0.810 28.576 29.460 -0.122 0.000 1.120 584 W HN 0.182 nan 8.180 nan 0.000 0.551 585 L N -0.161 121.121 121.223 0.098 0.000 1.994 585 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 585 L C 2.492 179.350 176.870 -0.021 0.000 1.071 585 L CA 1.330 56.181 54.840 0.018 0.000 0.745 585 L CB -0.874 41.203 42.059 0.029 0.000 0.892 585 L HN -0.105 nan 8.230 nan 0.000 0.431 586 E N 0.388 120.588 120.200 -0.001 0.000 2.106 586 E HA -0.192 4.157 4.350 -0.000 0.000 0.192 586 E C 2.128 178.712 176.600 -0.028 0.000 0.984 586 E CA 1.019 57.415 56.400 -0.007 0.000 0.806 586 E CB -0.089 29.615 29.700 0.008 0.000 0.750 586 E HN 0.447 nan 8.360 nan 0.000 0.458 587 K N 0.693 121.059 120.400 -0.058 0.000 2.057 587 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 587 K C 2.045 178.566 176.600 -0.131 0.000 1.049 587 K CA 1.164 57.404 56.287 -0.079 0.000 0.931 587 K CB -0.073 32.365 32.500 -0.102 0.000 0.714 587 K HN -0.055 nan 8.250 nan 0.000 0.440 588 N N 1.129 119.656 118.700 -0.288 0.000 2.142 588 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 588 N C 1.188 176.669 175.510 -0.049 0.000 1.023 588 N CA 1.444 54.350 53.050 -0.240 0.000 0.852 588 N CB 0.179 38.482 38.487 -0.306 0.000 0.998 588 N HN 0.081 nan 8.380 nan 0.000 0.424 589 K N -0.286 120.096 120.400 -0.031 0.000 2.103 589 K HA -0.071 4.248 4.320 -0.000 0.000 0.204 589 K C 0.003 176.612 176.600 0.015 0.000 1.052 589 K CA 0.845 57.142 56.287 0.016 0.000 0.945 589 K CB -0.042 32.470 32.500 0.021 0.000 0.722 589 K HN 0.099 nan 8.250 nan 0.000 0.443 590 D N 0.540 120.941 120.400 0.000 0.000 2.737 590 D HA -0.094 4.546 4.640 -0.000 0.000 0.238 590 D C -2.496 173.792 176.300 -0.021 0.000 1.157 590 D CA 0.104 54.103 54.000 -0.003 0.000 0.694 590 D CB -0.258 40.546 40.800 0.006 0.000 1.021 590 D HN 0.160 nan 8.370 nan 0.000 0.420 591 P HA 0.485 nan 4.420 nan 0.000 0.281 591 P C -0.830 176.454 177.300 -0.027 0.000 1.249 591 P CA -0.812 62.277 63.100 -0.019 0.000 0.810 591 P CB 1.414 33.116 31.700 0.003 0.000 1.008 592 L N 1.879 123.079 121.223 -0.039 0.000 2.470 592 L HA 0.276 4.616 4.340 -0.000 0.000 0.268 592 L C -0.384 176.481 176.870 -0.007 0.000 0.964 592 L CA -0.549 54.277 54.840 -0.024 0.000 0.839 592 L CB 1.882 43.919 42.059 -0.038 0.000 1.276 592 L HN 0.235 nan 8.230 nan 0.000 0.403 593 Q N 3.350 123.155 119.800 0.009 0.000 2.263 593 Q HA 0.016 4.356 4.340 -0.000 0.000 0.289 593 Q C 0.619 176.637 176.000 0.030 0.000 1.061 593 Q CA 0.508 56.322 55.803 0.020 0.000 0.927 593 Q CB 1.022 29.771 28.738 0.020 0.000 1.154 593 Q HN 0.739 nan 8.270 nan 0.000 0.378 594 Q N 1.719 121.540 119.800 0.035 0.000 2.181 594 Q HA -0.193 4.147 4.340 -0.000 0.000 0.205 594 Q C 0.748 176.776 176.000 0.047 0.000 0.980 594 Q CA 1.202 57.033 55.803 0.046 0.000 0.862 594 Q CB 0.289 29.058 28.738 0.052 0.000 0.905 594 Q HN 0.553 nan 8.270 nan 0.000 0.429 595 D N -0.024 120.399 120.400 0.037 0.000 2.178 595 D HA -0.132 4.508 4.640 -0.000 0.000 0.201 595 D C 1.668 177.993 176.300 0.043 0.000 0.980 595 D CA 0.606 54.625 54.000 0.031 0.000 0.842 595 D CB 0.034 40.847 40.800 0.022 0.000 0.948 595 D HN 0.098 nan 8.370 nan 0.000 0.472 596 L N 1.282 122.537 121.223 0.054 0.000 1.989 596 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 596 L C 2.151 179.069 176.870 0.080 0.000 1.071 596 L CA 1.667 56.554 54.840 0.078 0.000 0.749 596 L CB -1.114 40.973 42.059 0.046 0.000 0.890 596 L HN 0.136 nan 8.230 nan 0.000 0.431 597 E N -0.736 119.518 120.200 0.090 0.000 2.153 597 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 597 E C 2.256 178.887 176.600 0.052 0.000 0.988 597 E CA 0.817 57.301 56.400 0.140 0.000 0.811 597 E CB -0.178 29.663 29.700 0.236 0.000 0.746 597 E HN 0.440 nan 8.360 nan 0.000 0.466 598 L N 0.295 121.542 121.223 0.040 0.000 2.217 598 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 598 L C 2.633 179.481 176.870 -0.038 0.000 1.107 598 L CA 0.366 55.212 54.840 0.011 0.000 0.783 598 L CB -0.295 41.773 42.059 0.015 0.000 0.919 598 L HN 0.324 nan 8.230 nan 0.000 0.442 599 C N -0.647 118.631 119.300 -0.037 0.000 2.464 599 C HA -0.058 4.402 4.460 -0.000 0.000 0.278 599 C C 2.473 177.288 174.990 -0.292 0.000 1.375 599 C CA 0.239 59.189 59.018 -0.113 0.000 1.761 599 C CB -0.691 27.020 27.740 -0.049 0.000 1.944 599 C HN 0.467 nan 8.230 nan 0.000 0.509 600 F N 0.896 120.547 119.950 -0.499 0.000 2.656 600 F HA 0.253 4.779 4.527 -0.000 0.000 0.291 600 F C 2.269 177.741 175.800 -0.546 0.000 1.122 600 F CA 0.769 58.311 58.000 -0.763 0.000 1.427 600 F CB -0.288 37.680 39.000 -1.720 0.000 1.125 600 F HN 0.049 nan 8.300 nan 0.000 0.583 601 K N -0.089 120.191 120.400 -0.199 0.000 2.280 601 K HA -0.157 4.163 4.320 -0.000 0.000 0.202 601 K C 0.709 177.283 176.600 -0.043 0.000 1.047 601 K CA 1.233 57.510 56.287 -0.017 0.000 0.942 601 K CB -0.104 32.424 32.500 0.047 0.000 0.739 601 K HN 0.070 nan 8.250 nan 0.000 0.457 602 D N 0.246 120.585 120.400 -0.102 0.000 2.328 602 D HA -0.003 4.637 4.640 -0.000 0.000 0.221 602 D C 0.182 176.409 176.300 -0.121 0.000 1.072 602 D CA 0.206 54.149 54.000 -0.096 0.000 0.850 602 D CB 0.225 40.962 40.800 -0.104 0.000 0.922 602 D HN -0.014 nan 8.370 nan 0.000 0.516 603 S N -0.391 115.219 115.700 -0.150 0.000 2.584 603 S HA 0.078 4.547 4.470 -0.000 0.000 0.270 603 S C 1.569 176.132 174.600 -0.062 0.000 1.346 603 S CA -0.091 58.025 58.200 -0.140 0.000 1.018 603 S CB 1.011 64.124 63.200 -0.145 0.000 0.899 603 S HN 0.148 nan 8.310 nan 0.000 0.542 604 S N 1.630 117.302 115.700 -0.046 0.000 2.528 604 S HA 0.069 4.538 4.470 -0.000 0.000 0.219 604 S C 0.481 175.078 174.600 -0.006 0.000 0.985 604 S CA -0.140 58.047 58.200 -0.022 0.000 0.914 604 S CB -0.318 62.871 63.200 -0.019 0.000 0.776 604 S HN 0.828 nan 8.310 nan 0.000 0.526 605 D N 1.619 122.022 120.400 0.005 0.000 2.390 605 D HA 0.147 4.787 4.640 -0.000 0.000 0.249 605 D C 0.105 176.403 176.300 -0.004 0.000 1.144 605 D CA 0.016 54.023 54.000 0.012 0.000 0.880 605 D CB 0.619 41.444 40.800 0.042 0.000 1.182 605 D HN 0.134 nan 8.370 nan 0.000 0.451 606 N N 1.976 120.668 118.700 -0.014 0.000 2.396 606 N HA -0.097 4.643 4.740 -0.000 0.000 0.180 606 N C 1.566 177.035 175.510 -0.070 0.000 1.028 606 N CA 0.332 53.371 53.050 -0.019 0.000 0.893 606 N CB 0.394 38.882 38.487 0.002 0.000 0.967 606 N HN 0.203 nan 8.380 nan 0.000 0.440 607 V N -0.397 119.437 119.914 -0.135 0.000 2.331 607 V HA -0.102 4.018 4.120 -0.000 0.000 0.242 607 V C 2.098 178.018 176.094 -0.291 0.000 1.034 607 V CA 0.949 63.035 62.300 -0.357 0.000 1.027 607 V CB -0.315 31.211 31.823 -0.495 0.000 0.667 607 V HN 0.067 nan 8.190 nan 0.000 0.457 608 V N -0.028 119.834 119.914 -0.086 0.000 2.282 608 V HA -0.340 3.780 4.120 -0.000 0.000 0.249 608 V C 2.574 178.760 176.094 0.152 0.000 1.057 608 V CA 2.764 65.123 62.300 0.098 0.000 1.032 608 V CB -1.264 30.688 31.823 0.215 0.000 0.645 608 V HN 0.600 nan 8.190 nan 0.000 0.447 609 T N -0.796 113.799 114.554 0.068 0.000 2.699 609 T HA -0.246 4.103 4.350 -0.000 0.000 0.268 609 T C 2.000 176.750 174.700 0.083 0.000 1.036 609 T CA 1.556 63.703 62.100 0.079 0.000 1.147 609 T CB -0.251 68.636 68.868 0.030 0.000 0.862 609 T HN 0.360 nan 8.240 nan 0.000 0.446 610 K N 0.618 121.018 120.400 -0.001 0.000 2.211 610 K HA 0.088 4.407 4.320 -0.000 0.000 0.203 610 K C 2.092 178.666 176.600 -0.043 0.000 1.050 610 K CA 0.679 56.955 56.287 -0.018 0.000 0.945 610 K CB -0.244 32.224 32.500 -0.053 0.000 0.732 610 K HN 0.390 nan 8.250 nan 0.000 0.451 611 L N -0.627 120.548 121.223 -0.081 0.000 2.376 611 L HA -0.079 4.260 4.340 -0.000 0.000 0.219 611 L C 1.241 177.915 176.870 -0.326 0.000 1.133 611 L CA 0.920 55.645 54.840 -0.192 0.000 0.816 611 L CB -0.157 41.778 42.059 -0.207 0.000 0.933 611 L HN 0.060 nan 8.230 nan 0.000 0.449 612 F N -1.323 118.604 119.950 -0.039 0.000 2.706 612 F HA 0.139 4.665 4.527 -0.000 0.000 0.313 612 F C 1.599 177.394 175.800 -0.007 0.000 1.096 612 F CA -0.026 57.962 58.000 -0.019 0.000 1.219 612 F CB 0.151 39.159 39.000 0.013 0.000 1.051 612 F HN -0.009 nan 8.300 nan 0.000 0.568 613 N N -1.318 117.456 118.700 0.124 0.000 2.397 613 N HA -0.041 4.699 4.740 -0.000 0.000 0.190 613 N C 0.014 175.550 175.510 0.044 0.000 1.099 613 N CA -0.090 53.008 53.050 0.080 0.000 0.876 613 N CB 0.423 38.953 38.487 0.072 0.000 1.143 613 N HN -0.091 nan 8.380 nan 0.000 0.468 614 D N 2.689 123.107 120.400 0.031 0.000 2.363 614 D HA 0.011 4.651 4.640 -0.000 0.000 0.263 614 D C -1.484 174.820 176.300 0.007 0.000 1.258 614 D CA -1.709 52.307 54.000 0.026 0.000 0.907 614 D CB 1.114 41.940 40.800 0.043 0.000 1.107 614 D HN 0.153 nan 8.370 nan 0.000 0.495 615 P HA -0.139 nan 4.420 nan 0.000 0.221 615 P C 0.750 178.050 177.300 0.001 0.000 1.145 615 P CA 0.744 63.849 63.100 0.010 0.000 0.795 615 P CB 0.475 32.185 31.700 0.017 0.000 0.775 616 N N -0.804 117.897 118.700 0.001 0.000 2.446 616 N HA 0.069 4.808 4.740 -0.000 0.000 0.179 616 N C 1.738 177.239 175.510 -0.014 0.000 1.054 616 N CA 0.650 53.697 53.050 -0.004 0.000 0.905 616 N CB 0.100 38.585 38.487 -0.003 0.000 0.973 616 N HN 0.303 nan 8.380 nan 0.000 0.448 617 I N -0.626 119.931 120.570 -0.023 0.000 3.443 617 I HA 0.136 4.306 4.170 -0.000 0.000 0.277 617 I C 1.781 177.832 176.117 -0.110 0.000 1.169 617 I CA 0.231 61.500 61.300 -0.053 0.000 1.419 617 I CB 0.063 38.042 38.000 -0.034 0.000 1.331 617 I HN -0.123 nan 8.210 nan 0.000 0.458 618 A N -0.230 122.523 122.820 -0.111 0.000 2.238 618 A HA 0.251 4.570 4.320 -0.000 0.000 0.210 618 A C 1.204 178.728 177.584 -0.100 0.000 1.179 618 A CA 0.289 52.234 52.037 -0.153 0.000 0.827 618 A CB -0.068 18.857 19.000 -0.124 0.000 0.856 618 A HN 0.262 nan 8.150 nan 0.000 0.488 619 S N -0.661 115.006 115.700 -0.055 0.000 2.654 619 S HA 0.625 5.095 4.470 -0.000 0.000 0.283 619 S C -0.056 174.529 174.600 -0.025 0.000 1.180 619 S CA -0.574 57.612 58.200 -0.022 0.000 1.021 619 S CB 1.143 64.354 63.200 0.019 0.000 1.018 619 S HN 0.531 nan 8.310 nan 0.000 0.532 620 R N 1.069 121.574 120.500 0.008 0.000 2.561 620 R HA 0.650 4.990 4.340 -0.000 0.000 0.297 620 R C -0.478 175.954 176.300 0.221 0.000 0.969 620 R CA -0.536 55.590 56.100 0.044 0.000 0.879 620 R CB 1.168 31.375 30.300 -0.155 0.000 1.178 620 R HN 0.730 nan 8.270 nan 0.000 0.445 621 A N 3.272 126.190 122.820 0.163 0.000 2.507 621 A HA 0.212 4.532 4.320 -0.000 0.000 0.235 621 A C -0.634 177.080 177.584 0.216 0.000 1.070 621 A CA 0.219 52.348 52.037 0.154 0.000 0.768 621 A CB 0.286 19.346 19.000 0.100 0.000 1.011 621 A HN 0.644 nan 8.150 nan 0.000 0.502 622 K N 0.805 121.271 120.400 0.109 0.000 2.292 622 K HA 0.335 4.655 4.320 -0.000 0.000 0.257 622 K C -0.492 176.108 176.600 0.001 0.000 0.940 622 K CA -0.206 56.086 56.287 0.010 0.000 0.811 622 K CB 1.796 34.222 32.500 -0.123 0.000 1.120 622 K HN 0.547 nan 8.250 nan 0.000 0.428 623 K N 2.706 123.105 120.400 -0.001 0.000 2.758 623 K HA 0.217 4.537 4.320 -0.000 0.000 0.250 623 K C 0.385 176.970 176.600 -0.025 0.000 1.268 623 K CA 0.076 56.365 56.287 0.004 0.000 1.228 623 K CB 0.237 32.754 32.500 0.028 0.000 1.715 623 K HN 0.928 nan 8.250 nan 0.000 0.334 624 G N 1.390 110.164 108.800 -0.043 0.000 2.650 624 G HA2 -0.412 3.547 3.960 -0.000 0.000 0.264 624 G HA3 -0.412 3.547 3.960 -0.000 0.000 0.264 624 G C 0.882 175.724 174.900 -0.096 0.000 1.263 624 G CA -0.019 45.050 45.100 -0.053 0.000 0.960 624 G HN 0.400 nan 8.290 nan 0.000 0.548 625 A N 0.586 123.355 122.820 -0.085 0.000 2.066 625 A HA 0.292 4.612 4.320 -0.000 0.000 0.218 625 A C 1.109 178.590 177.584 -0.171 0.000 1.157 625 A CA 1.812 53.785 52.037 -0.107 0.000 0.670 625 A CB -0.374 18.589 19.000 -0.060 0.000 0.804 625 A HN 0.690 nan 8.150 nan 0.000 0.453 626 N N -1.498 117.110 118.700 -0.154 0.000 2.402 626 N HA 0.494 5.233 4.740 -0.000 0.000 0.294 626 N C -1.360 174.027 175.510 -0.205 0.000 1.203 626 N CA -0.591 52.355 53.050 -0.173 0.000 0.838 626 N CB 0.848 39.320 38.487 -0.026 0.000 1.306 626 N HN 0.072 nan 8.380 nan 0.000 0.510 627 F N 0.922 120.884 119.950 0.020 0.000 2.459 627 F HA 0.263 4.790 4.527 -0.000 0.000 0.346 627 F C 1.494 177.310 175.800 0.027 0.000 1.128 627 F CA -0.500 57.514 58.000 0.022 0.000 1.268 627 F CB 0.427 39.439 39.000 0.020 0.000 1.161 627 F HN 0.284 nan 8.300 nan 0.000 0.583 628 I N 2.086 122.790 120.570 0.223 0.000 2.872 628 I HA -0.014 4.156 4.170 -0.000 0.000 0.291 628 I C 0.673 176.876 176.117 0.143 0.000 1.216 628 I CA 0.024 61.411 61.300 0.145 0.000 1.424 628 I CB 0.544 38.618 38.000 0.123 0.000 1.351 628 I HN 0.795 nan 8.210 nan 0.000 0.592 629 T N 3.353 117.977 114.554 0.117 0.000 2.874 629 T HA 0.221 4.571 4.350 -0.000 0.000 0.281 629 T C 1.219 175.998 174.700 0.131 0.000 0.994 629 T CA -0.811 61.354 62.100 0.109 0.000 1.015 629 T CB 1.599 70.519 68.868 0.087 0.000 1.028 629 T HN 0.430 nan 8.240 nan 0.000 0.523 630 V N 1.584 121.581 119.914 0.139 0.000 2.332 630 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 630 V C 3.084 179.338 176.094 0.267 0.000 1.055 630 V CA 2.426 64.844 62.300 0.197 0.000 1.038 630 V CB -1.678 30.289 31.823 0.240 0.000 0.651 630 V HN 1.086 nan 8.190 nan 0.000 0.450 631 A N -0.055 122.947 122.820 0.303 0.000 1.877 631 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 631 A C 2.423 180.139 177.584 0.220 0.000 1.186 631 A CA 2.270 54.499 52.037 0.320 0.000 0.620 631 A CB -0.839 18.333 19.000 0.287 0.000 0.822 631 A HN 0.590 nan 8.150 nan 0.000 0.443 632 A N -1.129 121.787 122.820 0.161 0.000 1.930 632 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 632 A C 2.202 179.862 177.584 0.126 0.000 1.175 632 A CA 1.720 53.829 52.037 0.121 0.000 0.627 632 A CB -0.551 18.507 19.000 0.095 0.000 0.815 632 A HN 0.661 nan 8.150 nan 0.000 0.443 633 Q N -1.902 117.988 119.800 0.150 0.000 2.050 633 Q HA -0.228 4.111 4.340 -0.000 0.000 0.202 633 Q C 2.000 178.121 176.000 0.202 0.000 0.980 633 Q CA 1.987 57.882 55.803 0.153 0.000 0.840 633 Q CB -0.335 28.493 28.738 0.150 0.000 0.898 633 Q HN 0.729 nan 8.270 nan 0.000 0.424 634 Y N 1.360 121.728 120.300 0.114 0.000 2.163 634 Y HA -0.201 4.349 4.550 -0.000 0.000 0.288 634 Y C 2.212 178.205 175.900 0.155 0.000 1.136 634 Y CA 1.894 60.074 58.100 0.133 0.000 1.147 634 Y CB -0.268 38.262 38.460 0.117 0.000 0.987 634 Y HN 0.006 nan 8.280 nan 0.000 0.509 635 K N 0.418 120.857 120.400 0.066 0.000 2.113 635 K HA -0.283 4.037 4.320 -0.000 0.000 0.208 635 K C 2.224 178.803 176.600 -0.037 0.000 1.047 635 K CA 1.970 58.256 56.287 -0.002 0.000 0.928 635 K CB -0.282 32.261 32.500 0.072 0.000 0.716 635 K HN 0.615 nan 8.250 nan 0.000 0.446 636 E N 0.409 120.616 120.200 0.011 0.000 2.046 636 E HA -0.218 4.131 4.350 -0.000 0.000 0.190 636 E C 1.870 178.471 176.600 0.001 0.000 0.982 636 E CA 1.051 57.461 56.400 0.016 0.000 0.800 636 E CB -0.020 29.707 29.700 0.045 0.000 0.756 636 E HN 0.425 nan 8.360 nan 0.000 0.449 637 Q N 0.588 120.402 119.800 0.022 0.000 2.170 637 Q HA -0.115 4.224 4.340 -0.000 0.000 0.203 637 Q C 2.429 178.454 176.000 0.042 0.000 0.976 637 Q CA 1.112 56.961 55.803 0.077 0.000 0.858 637 Q CB -0.075 28.774 28.738 0.185 0.000 0.907 637 Q HN 0.374 nan 8.270 nan 0.000 0.433 638 L N 0.158 121.263 121.223 -0.196 0.000 2.027 638 L HA -0.148 4.192 4.340 -0.000 0.000 0.206 638 L C 2.343 179.109 176.870 -0.173 0.000 1.074 638 L CA 1.115 55.781 54.840 -0.290 0.000 0.745 638 L CB -0.491 41.250 42.059 -0.530 0.000 0.898 638 L HN 0.244 nan 8.230 nan 0.000 0.433 639 A N -0.813 121.940 122.820 -0.112 0.000 1.940 639 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 639 A C 2.503 180.053 177.584 -0.056 0.000 1.176 639 A CA 2.115 54.113 52.037 -0.065 0.000 0.631 639 A CB -0.790 18.197 19.000 -0.022 0.000 0.814 639 A HN 0.553 nan 8.150 nan 0.000 0.446 640 S N -0.572 115.105 115.700 -0.038 0.000 2.356 640 S HA -0.166 4.304 4.470 -0.000 0.000 0.223 640 S C 1.982 176.542 174.600 -0.068 0.000 1.032 640 S CA 1.570 59.754 58.200 -0.027 0.000 1.005 640 S CB -0.520 62.682 63.200 0.003 0.000 0.867 640 S HN 0.602 nan 8.310 nan 0.000 0.449 641 L N 1.587 122.753 121.223 -0.094 0.000 2.012 641 L HA -0.009 4.331 4.340 -0.000 0.000 0.210 641 L C 2.392 179.079 176.870 -0.304 0.000 1.073 641 L CA 2.128 56.826 54.840 -0.237 0.000 0.748 641 L CB -0.761 41.124 42.059 -0.289 0.000 0.891 641 L HN 0.304 nan 8.230 nan 0.000 0.431 642 M N -0.539 118.912 119.600 -0.249 0.000 2.213 642 M HA -0.115 4.365 4.480 -0.000 0.000 0.263 642 M C 2.369 178.608 176.300 -0.103 0.000 1.062 642 M CA 1.637 56.797 55.300 -0.234 0.000 1.105 642 M CB -1.678 30.831 32.600 -0.152 0.000 1.385 642 M HN 0.504 nan 8.290 nan 0.000 0.417 643 A N -0.371 122.412 122.820 -0.061 0.000 1.897 643 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 643 A C 2.333 179.928 177.584 0.018 0.000 1.181 643 A CA 2.011 54.050 52.037 0.004 0.000 0.620 643 A CB -1.011 17.993 19.000 0.007 0.000 0.821 643 A HN 0.429 nan 8.150 nan 0.000 0.443 644 T N 0.638 115.173 114.554 -0.031 0.000 2.746 644 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 644 T C 1.790 176.507 174.700 0.028 0.000 1.039 644 T CA 1.443 63.548 62.100 0.008 0.000 1.142 644 T CB -0.396 68.429 68.868 -0.073 0.000 0.866 644 T HN 0.369 nan 8.240 nan 0.000 0.444 645 L N 0.549 121.703 121.223 -0.115 0.000 2.046 645 L HA -0.112 4.227 4.340 -0.000 0.000 0.208 645 L C 2.628 179.598 176.870 0.167 0.000 1.077 645 L CA 1.475 56.249 54.840 -0.110 0.000 0.747 645 L CB -0.566 41.152 42.059 -0.567 0.000 0.896 645 L HN 0.314 nan 8.230 nan 0.000 0.432 646 E N -0.483 119.863 120.200 0.242 0.000 2.265 646 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 646 E C 1.589 178.327 176.600 0.229 0.000 0.996 646 E CA 1.503 58.119 56.400 0.360 0.000 0.832 646 E CB 0.055 29.931 29.700 0.294 0.000 0.756 646 E HN 0.494 nan 8.360 nan 0.000 0.491 647 T N -1.724 112.930 114.554 0.167 0.000 3.235 647 T HA 0.066 4.416 4.350 -0.000 0.000 0.251 647 T C 0.403 175.166 174.700 0.105 0.000 1.060 647 T CA 0.032 62.212 62.100 0.133 0.000 0.949 647 T CB -0.054 68.895 68.868 0.135 0.000 1.020 647 T HN 0.048 nan 8.240 nan 0.000 0.564 648 T N -0.912 113.705 114.554 0.105 0.000 2.907 648 T HA 0.548 4.898 4.350 -0.000 0.000 0.290 648 T C -0.791 173.914 174.700 0.009 0.000 1.066 648 T CA -1.018 61.095 62.100 0.021 0.000 1.012 648 T CB 1.508 70.378 68.868 0.005 0.000 1.184 648 T HN 0.051 nan 8.240 nan 0.000 0.522 649 N N 2.846 121.502 118.700 -0.074 0.000 2.406 649 N HA 0.405 5.145 4.740 -0.000 0.000 0.251 649 N C -2.525 172.785 175.510 -0.333 0.000 1.069 649 N CA -1.795 51.160 53.050 -0.160 0.000 0.947 649 N CB 0.790 39.183 38.487 -0.157 0.000 1.111 649 N HN 0.414 nan 8.380 nan 0.000 0.497 650 P HA 0.206 nan 4.420 nan 0.000 0.290 650 P C -1.269 175.542 177.300 -0.815 0.000 1.276 650 P CA -0.149 62.622 63.100 -0.548 0.000 0.808 650 P CB 0.947 32.298 31.700 -0.582 0.000 0.966 651 H N 2.940 121.775 119.070 -0.391 0.000 2.539 651 H HA 0.339 4.895 4.556 -0.000 0.000 0.332 651 H C -0.470 174.687 175.328 -0.285 0.000 1.031 651 H CA -0.321 55.586 56.048 -0.235 0.000 1.206 651 H CB 0.606 30.334 29.762 -0.057 0.000 1.446 651 H HN 0.304 nan 8.280 nan 0.000 0.496 652 F N 1.843 121.947 119.950 0.256 0.000 2.408 652 F HA 0.273 4.800 4.527 -0.000 0.000 0.344 652 F C 0.449 176.396 175.800 0.245 0.000 1.112 652 F CA -0.771 57.359 58.000 0.216 0.000 1.096 652 F CB 1.418 40.535 39.000 0.196 0.000 1.129 652 F HN 0.135 nan 8.300 nan 0.000 0.486 653 V N 4.893 125.008 119.914 0.335 0.000 2.350 653 V HA 0.447 4.567 4.120 -0.000 0.000 0.285 653 V C -0.347 175.856 176.094 0.182 0.000 1.014 653 V CA -1.014 61.440 62.300 0.257 0.000 0.831 653 V CB 1.214 33.143 31.823 0.177 0.000 1.000 653 V HN 0.490 nan 8.190 nan 0.000 0.433 654 R N 2.954 123.554 120.500 0.166 0.000 2.235 654 R HA 0.370 4.710 4.340 -0.000 0.000 0.338 654 R C -0.478 175.855 176.300 0.055 0.000 1.087 654 R CA -0.387 55.741 56.100 0.047 0.000 0.948 654 R CB 0.375 30.666 30.300 -0.014 0.000 1.099 654 R HN 0.605 nan 8.270 nan 0.000 0.483 655 C N 4.206 123.524 119.300 0.030 0.000 2.527 655 C HA 0.509 4.969 4.460 -0.000 0.000 0.396 655 C C 0.921 175.897 174.990 -0.023 0.000 1.289 655 C CA -0.372 58.649 59.018 0.005 0.000 2.047 655 C CB -0.261 27.479 27.740 0.000 0.000 2.568 655 C HN 0.662 nan 8.230 nan 0.000 0.573 656 I N 3.952 124.492 120.570 -0.049 0.000 2.499 656 I HA 0.330 4.500 4.170 -0.000 0.000 0.288 656 I C -0.502 175.563 176.117 -0.086 0.000 1.048 656 I CA -0.528 60.736 61.300 -0.059 0.000 1.062 656 I CB 1.443 39.409 38.000 -0.058 0.000 1.238 656 I HN 0.402 nan 8.210 nan 0.000 0.426 657 I N 9.854 130.391 120.570 -0.054 0.000 2.395 657 I HA 0.311 4.481 4.170 -0.000 0.000 0.289 657 I C -1.463 174.643 176.117 -0.018 0.000 1.023 657 I CA -2.418 58.869 61.300 -0.022 0.000 1.350 657 I CB 1.199 39.227 38.000 0.046 0.000 1.409 657 I HN 0.361 nan 8.210 nan 0.000 0.507 658 P HA -0.049 nan 4.420 nan 0.000 0.218 658 P C -0.782 176.538 177.300 0.033 0.000 1.152 658 P CA 1.109 64.180 63.100 -0.048 0.000 0.826 658 P CB 0.077 31.761 31.700 -0.027 0.000 0.790 659 N N -2.329 116.437 118.700 0.110 0.000 3.243 659 N HA 0.189 4.929 4.740 -0.000 0.000 0.280 659 N C -0.406 175.146 175.510 0.071 0.000 1.545 659 N CA -0.834 52.255 53.050 0.065 0.000 0.854 659 N CB -0.330 38.185 38.487 0.047 0.000 1.612 659 N HN -0.361 nan 8.380 nan 0.000 0.577 660 N N -0.701 118.012 118.700 0.022 0.000 2.376 660 N HA 0.210 4.950 4.740 -0.000 0.000 0.249 660 N C -0.577 174.918 175.510 -0.025 0.000 1.140 660 N CA 0.119 53.178 53.050 0.015 0.000 0.870 660 N CB 0.339 38.830 38.487 0.006 0.000 1.124 660 N HN 0.528 nan 8.380 nan 0.000 0.505 661 K N -0.187 120.167 120.400 -0.076 0.000 2.477 661 K HA 0.194 4.513 4.320 -0.000 0.000 0.208 661 K C -0.152 176.256 176.600 -0.321 0.000 1.117 661 K CA -0.079 56.122 56.287 -0.142 0.000 1.039 661 K CB 0.932 33.369 32.500 -0.106 0.000 0.937 661 K HN -0.030 nan 8.250 nan 0.000 0.570 662 Q N 0.880 120.327 119.800 -0.588 0.000 2.475 662 Q HA -0.196 4.144 4.340 -0.000 0.000 0.280 662 Q C -0.952 174.327 176.000 -1.201 0.000 1.234 662 Q CA 0.576 55.490 55.803 -1.482 0.000 0.873 662 Q CB -1.433 26.877 28.738 -0.712 0.000 1.256 662 Q HN 0.346 nan 8.270 nan 0.000 0.475 663 L N 0.717 121.528 121.223 -0.686 0.000 2.346 663 L HA 0.612 4.952 4.340 -0.000 0.000 0.274 663 L C -1.918 174.985 176.870 0.054 0.000 1.007 663 L CA -2.098 52.603 54.840 -0.232 0.000 0.818 663 L CB 1.494 43.488 42.059 -0.108 0.000 1.284 663 L HN -0.097 nan 8.230 nan 0.000 0.424 664 P HA 0.176 nan 4.420 nan 0.000 0.278 664 P C -0.110 177.274 177.300 0.140 0.000 1.258 664 P CA -0.094 63.117 63.100 0.185 0.000 0.811 664 P CB 1.216 32.980 31.700 0.106 0.000 1.063 665 A N -0.310 122.593 122.820 0.139 0.000 2.826 665 A HA -0.218 4.102 4.320 -0.000 0.000 0.274 665 A C 0.416 178.100 177.584 0.167 0.000 1.443 665 A CA 1.458 53.560 52.037 0.109 0.000 0.833 665 A CB -2.677 16.342 19.000 0.032 0.000 1.023 665 A HN 0.632 nan 8.150 nan 0.000 0.600 666 K N -0.601 119.943 120.400 0.240 0.000 2.895 666 K HA 0.480 4.800 4.320 -0.000 0.000 0.191 666 K C -0.925 175.759 176.600 0.140 0.000 1.117 666 K CA -0.621 55.759 56.287 0.154 0.000 0.988 666 K CB 0.363 32.918 32.500 0.092 0.000 1.181 666 K HN 0.409 nan 8.250 nan 0.000 0.598 667 L N 3.463 124.764 121.223 0.130 0.000 2.268 667 L HA 0.273 4.613 4.340 -0.000 0.000 0.289 667 L C -0.724 176.213 176.870 0.112 0.000 1.064 667 L CA 0.258 55.113 54.840 0.024 0.000 0.824 667 L CB 0.636 42.635 42.059 -0.099 0.000 1.202 667 L HN 0.362 nan 8.230 nan 0.000 0.433 668 E N 2.584 122.825 120.200 0.069 0.000 2.146 668 E HA 0.127 4.477 4.350 -0.000 0.000 0.282 668 E C 0.121 176.695 176.600 -0.042 0.000 0.989 668 E CA -0.282 56.139 56.400 0.036 0.000 0.799 668 E CB 1.100 30.800 29.700 -0.000 0.000 1.088 668 E HN 0.677 nan 8.360 nan 0.000 0.397 669 D N 3.051 123.363 120.400 -0.147 0.000 2.097 669 D HA -0.257 4.382 4.640 -0.000 0.000 0.195 669 D C 1.584 177.618 176.300 -0.442 0.000 0.989 669 D CA 0.989 54.611 54.000 -0.631 0.000 0.827 669 D CB 0.018 40.424 40.800 -0.656 0.000 0.966 669 D HN 0.167 nan 8.370 nan 0.000 0.456 670 K N 0.973 121.222 120.400 -0.252 0.000 2.020 670 K HA -0.125 4.195 4.320 -0.000 0.000 0.212 670 K C 2.078 178.587 176.600 -0.152 0.000 1.050 670 K CA 1.300 57.478 56.287 -0.182 0.000 0.929 670 K CB -0.860 31.564 32.500 -0.126 0.000 0.714 670 K HN 0.181 nan 8.250 nan 0.000 0.443 671 V N -0.015 119.829 119.914 -0.117 0.000 2.255 671 V HA -0.242 3.877 4.120 -0.000 0.000 0.247 671 V C 2.402 178.441 176.094 -0.092 0.000 1.051 671 V CA 1.954 64.203 62.300 -0.084 0.000 1.018 671 V CB -0.423 31.371 31.823 -0.048 0.000 0.641 671 V HN 0.157 nan 8.190 nan 0.000 0.445 672 V N -0.559 119.293 119.914 -0.103 0.000 2.358 672 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 672 V C 2.267 178.304 176.094 -0.095 0.000 1.047 672 V CA 1.823 64.083 62.300 -0.066 0.000 1.035 672 V CB -0.464 31.392 31.823 0.056 0.000 0.658 672 V HN 0.429 nan 8.190 nan 0.000 0.452 673 L N -0.365 120.738 121.223 -0.201 0.000 2.141 673 L HA -0.162 4.177 4.340 -0.000 0.000 0.209 673 L C 2.339 179.147 176.870 -0.102 0.000 1.094 673 L CA 1.346 56.087 54.840 -0.164 0.000 0.763 673 L CB -0.613 41.306 42.059 -0.234 0.000 0.908 673 L HN 0.322 nan 8.230 nan 0.000 0.437 674 D N -0.192 120.142 120.400 -0.110 0.000 2.123 674 D HA -0.208 4.431 4.640 -0.000 0.000 0.196 674 D C 2.299 178.542 176.300 -0.095 0.000 0.992 674 D CA 1.227 55.168 54.000 -0.099 0.000 0.833 674 D CB -0.063 40.672 40.800 -0.108 0.000 0.954 674 D HN 0.389 nan 8.370 nan 0.000 0.455 675 Q N -0.159 119.587 119.800 -0.090 0.000 2.084 675 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 675 Q C 2.523 178.492 176.000 -0.052 0.000 0.978 675 Q CA 0.663 56.418 55.803 -0.080 0.000 0.844 675 Q CB -0.047 28.651 28.738 -0.066 0.000 0.898 675 Q HN 0.319 nan 8.270 nan 0.000 0.426 676 L N 0.106 121.310 121.223 -0.033 0.000 2.083 676 L HA -0.191 4.148 4.340 -0.000 0.000 0.209 676 L C 2.550 179.422 176.870 0.004 0.000 1.083 676 L CA 1.159 55.998 54.840 -0.001 0.000 0.752 676 L CB -0.364 41.709 42.059 0.023 0.000 0.899 676 L HN 0.193 nan 8.230 nan 0.000 0.433 677 R N -0.101 120.394 120.500 -0.009 0.000 2.064 677 R HA -0.183 4.157 4.340 -0.000 0.000 0.228 677 R C 2.586 178.893 176.300 0.011 0.000 1.144 677 R CA 1.977 58.080 56.100 0.004 0.000 0.932 677 R CB -0.712 29.582 30.300 -0.011 0.000 0.833 677 R HN 0.591 nan 8.270 nan 0.000 0.429 678 C N -0.023 119.272 119.300 -0.008 0.000 2.432 678 C HA 0.064 4.524 4.460 -0.000 0.000 0.280 678 C C 1.826 176.862 174.990 0.077 0.000 1.353 678 C CA 0.281 59.324 59.018 0.042 0.000 1.766 678 C CB -1.264 26.456 27.740 -0.035 0.000 1.924 678 C HN 0.417 nan 8.230 nan 0.000 0.509 679 N N 1.167 119.858 118.700 -0.016 0.000 2.459 679 N HA 0.122 4.862 4.740 -0.000 0.000 0.181 679 N C 1.407 176.785 175.510 -0.221 0.000 1.046 679 N CA 0.878 53.835 53.050 -0.156 0.000 0.904 679 N CB -0.246 38.120 38.487 -0.202 0.000 0.964 679 N HN 0.811 nan 8.380 nan 0.000 0.444 680 G N 0.790 109.578 108.800 -0.019 0.000 2.198 680 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.257 680 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.257 680 G C 0.790 175.818 174.900 0.214 0.000 1.042 680 G CA 0.270 45.451 45.100 0.135 0.000 0.791 680 G HN 0.166 nan 8.290 nan 0.000 0.502 681 V N -0.393 119.604 119.914 0.139 0.000 2.270 681 V HA -0.148 3.972 4.120 -0.000 0.000 0.245 681 V C 2.877 179.168 176.094 0.328 0.000 1.043 681 V CA 2.320 64.799 62.300 0.298 0.000 1.014 681 V CB -0.446 31.505 31.823 0.214 0.000 0.645 681 V HN 0.399 nan 8.190 nan 0.000 0.447 682 L N -0.198 121.148 121.223 0.206 0.000 2.093 682 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 682 L C 2.414 179.409 176.870 0.208 0.000 1.085 682 L CA 1.702 56.647 54.840 0.175 0.000 0.755 682 L CB -0.850 41.282 42.059 0.121 0.000 0.904 682 L HN 0.305 nan 8.230 nan 0.000 0.435 683 E N -0.359 119.972 120.200 0.219 0.000 2.110 683 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 683 E C 2.315 179.092 176.600 0.295 0.000 0.988 683 E CA 1.185 57.694 56.400 0.182 0.000 0.804 683 E CB -0.748 28.946 29.700 -0.010 0.000 0.745 683 E HN 0.452 nan 8.360 nan 0.000 0.458 684 G N 0.708 109.810 108.800 0.503 0.000 2.442 684 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 684 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 684 G C 1.599 176.694 174.900 0.325 0.000 1.141 684 G CA 0.970 46.382 45.100 0.520 0.000 0.763 684 G HN 0.205 nan 8.290 nan 0.000 0.554 685 I N -0.084 120.633 120.570 0.244 0.000 2.286 685 I HA -0.081 4.089 4.170 -0.000 0.000 0.245 685 I C 2.986 179.165 176.117 0.104 0.000 1.104 685 I CA 0.679 62.040 61.300 0.102 0.000 1.397 685 I CB -0.222 37.818 38.000 0.067 0.000 1.072 685 I HN 0.048 nan 8.210 nan 0.000 0.417 686 R N 0.396 120.986 120.500 0.150 0.000 2.096 686 R HA -0.209 4.131 4.340 -0.000 0.000 0.240 686 R C 2.352 178.778 176.300 0.210 0.000 1.139 686 R CA 1.555 57.769 56.100 0.190 0.000 0.952 686 R CB -0.607 29.864 30.300 0.284 0.000 0.854 686 R HN 0.231 nan 8.270 nan 0.000 0.436 687 I N 0.935 121.580 120.570 0.124 0.000 2.361 687 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 687 I C 1.629 177.827 176.117 0.136 0.000 1.133 687 I CA 1.763 63.146 61.300 0.138 0.000 1.413 687 I CB -0.404 37.534 38.000 -0.103 0.000 1.073 687 I HN 0.085 nan 8.210 nan 0.000 0.424 688 T N 0.204 114.800 114.554 0.071 0.000 2.896 688 T HA -0.053 4.297 4.350 -0.000 0.000 0.263 688 T C 2.058 176.766 174.700 0.014 0.000 1.050 688 T CA 1.128 63.246 62.100 0.030 0.000 1.140 688 T CB 0.007 68.877 68.868 0.003 0.000 0.877 688 T HN 0.341 nan 8.240 nan 0.000 0.457 689 R N 1.001 121.522 120.500 0.035 0.000 2.055 689 R HA 0.118 4.458 4.340 -0.000 0.000 0.226 689 R C 2.063 178.363 176.300 0.001 0.000 1.135 689 R CA 0.975 57.080 56.100 0.008 0.000 0.959 689 R CB -0.033 30.283 30.300 0.027 0.000 0.854 689 R HN 0.222 nan 8.270 nan 0.000 0.431 690 K N 0.270 120.727 120.400 0.094 0.000 2.551 690 K HA 0.094 4.414 4.320 -0.000 0.000 0.192 690 K C 0.672 177.391 176.600 0.197 0.000 1.027 690 K CA 0.287 56.651 56.287 0.128 0.000 1.059 690 K CB 0.720 33.346 32.500 0.210 0.000 0.831 690 K HN 0.178 nan 8.250 nan 0.000 0.508 691 G N -0.195 108.643 108.800 0.064 0.000 3.016 691 G HA2 0.553 4.513 3.960 -0.000 0.000 0.270 691 G HA3 0.553 4.513 3.960 -0.000 0.000 0.270 691 G C -1.161 173.449 174.900 -0.483 0.000 1.352 691 G CA -0.792 44.304 45.100 -0.006 0.000 1.060 691 G HN 0.095 nan 8.290 nan 0.000 0.538 692 F N 1.195 121.067 119.950 -0.130 0.000 2.550 692 F HA 0.349 4.876 4.527 -0.000 0.000 0.348 692 F C -1.881 173.940 175.800 0.035 0.000 1.219 692 F CA -1.174 56.758 58.000 -0.114 0.000 1.203 692 F CB 1.165 39.993 39.000 -0.286 0.000 1.436 692 F HN 0.122 nan 8.300 nan 0.000 0.541 693 P HA 0.000 nan 4.420 nan 0.000 0.216 693 P CA 0.000 63.158 63.100 0.096 0.000 0.800 693 P CB 0.000 31.719 31.700 0.032 0.000 0.726