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 3myl_1_X 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 RXXXXXXGVL EQQILQANPI LEAFGNAKTT RNNNASRFGK 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 TXXXXGLDSQ ATIDLIDGRQ PPGILALLDE QSVFPNATDN TLITKLHSHF DATA SEQUENCE SKKNAKYEEP RFSKTEFGVT HYAGQVMYEI QDWLEKNKDP LQQDLELCFK DATA SEQUENCE DSSDNVVTKL FNDPNIASRK KXXXXFITVA AQYKEQLASL MATLETTNPH DATA SEQUENCE FVRCIIPNNK QLPAKLEDKV VLDQLRCNGV LEGIRITRKG FPNRIIYADF DATA SEQUENCE VKRYYLLAPN VPRDAEDSQK ATDAVLKHLN IDPEQYRFGI TKIFFRAGQL DATA SEQUENCE ARIEEARE 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 0.000 175.479 175.510 -0.051 0.000 1.280 2 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 2 N CB 0.000 38.491 38.487 0.007 0.000 1.341 3 P HA -0.040 nan 4.420 nan 0.000 0.218 3 P C 1.361 178.602 177.300 -0.098 0.000 1.147 3 P CA 1.203 64.274 63.100 -0.048 0.000 0.827 3 P CB -0.093 31.565 31.700 -0.070 0.000 0.778 4 I N -2.267 118.055 120.570 -0.414 0.000 2.756 4 I HA -0.204 3.970 4.170 0.007 0.000 0.262 4 I C 1.552 177.594 176.117 -0.124 0.000 1.225 4 I CA 1.417 62.396 61.300 -0.536 0.000 1.472 4 I CB -0.540 36.974 38.000 -0.811 0.000 1.094 4 I HN 0.157 nan 8.210 nan 0.000 0.454 5 H N -2.030 117.105 119.070 0.108 0.000 3.046 5 H HA 0.112 4.672 4.556 0.007 0.000 0.262 5 H C 0.257 175.566 175.328 -0.032 0.000 1.044 5 H CA -0.347 55.740 56.048 0.066 0.000 1.209 5 H CB 0.450 30.218 29.762 0.010 0.000 1.507 5 H HN 0.023 nan 8.280 nan 0.000 0.507 6 D N 1.375 121.812 120.400 0.061 0.000 2.393 6 D HA 0.036 4.681 4.640 0.007 0.000 0.232 6 D C 0.803 177.002 176.300 -0.169 0.000 1.192 6 D CA -0.180 53.807 54.000 -0.023 0.000 0.882 6 D CB 0.493 41.309 40.800 0.026 0.000 1.038 6 D HN 0.192 nan 8.370 nan 0.000 0.499 7 R N 1.677 121.967 120.500 -0.350 0.000 2.341 7 R HA -0.057 4.287 4.340 0.007 0.000 0.213 7 R C 1.425 177.628 176.300 -0.161 0.000 1.082 7 R CA 1.219 57.025 56.100 -0.490 0.000 1.017 7 R CB -0.259 29.824 30.300 -0.362 0.000 0.860 7 R HN 0.475 nan 8.270 nan 0.000 0.473 8 T N -2.214 112.295 114.554 -0.074 0.000 3.081 8 T HA 0.023 4.377 4.350 0.007 0.000 0.250 8 T C 1.014 175.729 174.700 0.024 0.000 1.100 8 T CA -0.104 61.983 62.100 -0.022 0.000 1.038 8 T CB 0.093 68.951 68.868 -0.017 0.000 0.962 8 T HN 0.130 nan 8.240 nan 0.000 0.516 9 S N 1.441 117.187 115.700 0.078 0.000 2.589 9 S HA 0.147 4.621 4.470 0.007 0.000 0.265 9 S C 0.550 175.235 174.600 0.142 0.000 1.342 9 S CA -0.455 57.825 58.200 0.132 0.000 1.005 9 S CB 0.620 63.941 63.200 0.202 0.000 0.909 9 S HN 0.092 nan 8.310 nan 0.000 0.555 10 D N 0.062 120.564 120.400 0.169 0.000 2.182 10 D HA -0.094 4.550 4.640 0.007 0.000 0.201 10 D C 1.422 177.893 176.300 0.286 0.000 0.986 10 D CA 1.397 55.537 54.000 0.234 0.000 0.847 10 D CB -0.505 40.510 40.800 0.357 0.000 0.942 10 D HN 0.750 nan 8.370 nan 0.000 0.467 11 Y N 0.937 121.328 120.300 0.152 0.000 2.081 11 Y HA -0.292 4.262 4.550 0.007 0.000 0.280 11 Y C 2.401 178.319 175.900 0.029 0.000 1.163 11 Y CA 1.921 60.076 58.100 0.091 0.000 1.135 11 Y CB -0.316 38.147 38.460 0.005 0.000 0.970 11 Y HN 0.172 nan 8.280 nan 0.000 0.498 12 H N -0.057 119.045 119.070 0.052 0.000 2.363 12 H HA -0.119 4.441 4.556 0.007 0.000 0.301 12 H C 2.270 177.509 175.328 -0.149 0.000 1.074 12 H CA 1.751 57.753 56.048 -0.077 0.000 1.354 12 H CB 0.007 29.786 29.762 0.028 0.000 1.397 12 H HN 0.369 nan 8.280 nan 0.000 0.516 13 K N 0.409 120.769 120.400 -0.066 0.000 2.057 13 K HA -0.154 4.171 4.320 0.007 0.000 0.206 13 K C 1.261 177.658 176.600 -0.338 0.000 1.050 13 K CA 1.383 57.505 56.287 -0.275 0.000 0.935 13 K CB 0.056 32.271 32.500 -0.474 0.000 0.715 13 K HN 0.187 nan 8.250 nan 0.000 0.439 14 Y N -0.371 119.884 120.300 -0.075 0.000 2.478 14 Y HA 0.182 4.736 4.550 0.007 0.000 0.261 14 Y C 1.294 177.102 175.900 -0.152 0.000 1.127 14 Y CA 0.218 58.257 58.100 -0.103 0.000 1.288 14 Y CB 0.584 38.999 38.460 -0.076 0.000 1.084 14 Y HN -0.023 nan 8.280 nan 0.000 0.530 15 L N -1.150 120.005 121.223 -0.113 0.000 3.039 15 L HA 0.238 4.582 4.340 0.007 0.000 0.269 15 L C -0.061 176.650 176.870 -0.265 0.000 1.169 15 L CA 0.077 54.803 54.840 -0.191 0.000 0.986 15 L CB 0.560 42.450 42.059 -0.282 0.000 1.377 15 L HN -0.245 nan 8.230 nan 0.000 0.575 16 K N 0.678 120.911 120.400 -0.279 0.000 2.328 16 K HA 0.500 4.824 4.320 0.007 0.000 0.246 16 K C -0.642 175.895 176.600 -0.105 0.000 0.955 16 K CA -0.784 55.372 56.287 -0.217 0.000 0.817 16 K CB 3.146 35.466 32.500 -0.300 0.000 1.208 16 K HN -0.349 nan 8.250 nan 0.000 0.432 17 V N 2.199 122.076 119.914 -0.061 0.000 2.585 17 V HA 0.021 4.145 4.120 0.007 0.000 0.296 17 V C 0.848 176.937 176.094 -0.008 0.000 1.035 17 V CA -0.124 62.155 62.300 -0.035 0.000 1.084 17 V CB 0.346 32.155 31.823 -0.024 0.000 0.953 17 V HN 0.567 nan 8.190 nan 0.000 0.483 18 K N 4.268 124.662 120.400 -0.011 0.000 2.412 18 K HA 0.139 4.463 4.320 0.007 0.000 0.281 18 K C -0.068 176.543 176.600 0.018 0.000 1.027 18 K CA -0.046 56.247 56.287 0.010 0.000 0.989 18 K CB 0.366 32.856 32.500 -0.016 0.000 0.935 18 K HN 0.694 nan 8.250 nan 0.000 0.475 19 Q N 1.700 121.524 119.800 0.039 0.000 2.257 19 Q HA 0.296 4.640 4.340 0.007 0.000 0.255 19 Q C 0.272 176.272 176.000 0.001 0.000 0.920 19 Q CA -0.765 55.052 55.803 0.024 0.000 0.927 19 Q CB 1.910 30.677 28.738 0.048 0.000 1.229 19 Q HN 0.784 nan 8.270 nan 0.000 0.433 20 G N 1.069 109.866 108.800 -0.006 0.000 2.563 20 G HA2 -0.004 3.960 3.960 0.007 0.000 0.283 20 G HA3 -0.004 3.960 3.960 0.007 0.000 0.283 20 G C 0.071 174.963 174.900 -0.013 0.000 1.309 20 G CA -0.465 44.627 45.100 -0.012 0.000 1.022 20 G HN 0.621 nan 8.290 nan 0.000 0.501 21 D N -1.094 119.298 120.400 -0.014 0.000 2.190 21 D HA -0.047 4.597 4.640 0.007 0.000 0.200 21 D C 1.150 177.445 176.300 -0.009 0.000 0.992 21 D CA 1.464 55.457 54.000 -0.013 0.000 0.854 21 D CB 0.205 40.998 40.800 -0.012 0.000 0.936 21 D HN 0.205 nan 8.370 nan 0.000 0.462 22 S N -1.690 114.005 115.700 -0.009 0.000 2.541 22 S HA 0.497 4.971 4.470 0.007 0.000 0.280 22 S C -0.410 174.183 174.600 -0.011 0.000 1.112 22 S CA -0.018 58.178 58.200 -0.006 0.000 0.925 22 S CB 1.967 65.165 63.200 -0.004 0.000 1.067 22 S HN 0.087 nan 8.310 nan 0.000 0.479 23 D N 3.205 123.599 120.400 -0.010 0.000 2.501 23 D HA 0.404 5.048 4.640 0.007 0.000 0.224 23 D C 0.134 176.422 176.300 -0.020 0.000 1.202 23 D CA -0.291 53.696 54.000 -0.021 0.000 0.829 23 D CB 0.047 40.834 40.800 -0.023 0.000 1.023 23 D HN 0.415 nan 8.370 nan 0.000 0.499 24 L N 0.598 121.821 121.223 -0.000 0.000 2.490 24 L HA 0.217 4.562 4.340 0.007 0.000 0.274 24 L C 1.703 178.591 176.870 0.031 0.000 1.201 24 L CA -0.178 54.680 54.840 0.030 0.000 0.869 24 L CB -0.364 41.719 42.059 0.040 0.000 1.123 24 L HN 0.407 nan 8.230 nan 0.000 0.484 25 F N 2.918 122.805 119.950 -0.105 0.000 2.063 25 F HA -0.390 4.141 4.527 0.007 0.000 0.297 25 F C 2.371 178.132 175.800 -0.064 0.000 1.099 25 F CA 2.442 60.374 58.000 -0.114 0.000 1.220 25 F CB 0.024 38.936 39.000 -0.147 0.000 0.972 25 F HN 0.692 nan 8.300 nan 0.000 0.487 26 K N 0.349 120.820 120.400 0.119 0.000 2.160 26 K HA -0.201 4.123 4.320 0.007 0.000 0.206 26 K C 2.035 178.585 176.600 -0.083 0.000 1.047 26 K CA 1.679 57.980 56.287 0.023 0.000 0.930 26 K CB -0.364 32.179 32.500 0.072 0.000 0.720 26 K HN 0.456 nan 8.250 nan 0.000 0.450 27 L N -0.401 120.775 121.223 -0.079 0.000 2.187 27 L HA -0.158 4.186 4.340 0.007 0.000 0.213 27 L C 2.044 178.852 176.870 -0.103 0.000 1.100 27 L CA 1.273 56.070 54.840 -0.072 0.000 0.765 27 L CB -0.210 41.816 42.059 -0.055 0.000 0.904 27 L HN 0.207 nan 8.230 nan 0.000 0.437 28 T N -1.154 113.291 114.554 -0.182 0.000 3.085 28 T HA 0.170 4.525 4.350 0.007 0.000 0.264 28 T C 0.520 175.091 174.700 -0.216 0.000 1.019 28 T CA -0.217 61.775 62.100 -0.180 0.000 0.910 28 T CB 0.088 68.839 68.868 -0.194 0.000 1.059 28 T HN -0.150 nan 8.240 nan 0.000 0.542 29 V N 2.269 122.036 119.914 -0.246 0.000 2.694 29 V HA 0.386 4.511 4.120 0.007 0.000 0.306 29 V C 0.343 176.388 176.094 -0.081 0.000 1.054 29 V CA 0.216 62.403 62.300 -0.188 0.000 1.161 29 V CB 1.127 32.879 31.823 -0.118 0.000 0.916 29 V HN 0.369 nan 8.190 nan 0.000 0.490 30 S N 1.621 117.290 115.700 -0.051 0.000 2.535 30 S HA 0.368 4.842 4.470 0.007 0.000 0.272 30 S C -0.171 174.416 174.600 -0.021 0.000 1.149 30 S CA -0.374 57.814 58.200 -0.019 0.000 0.888 30 S CB 1.790 64.996 63.200 0.009 0.000 1.110 30 S HN 0.927 nan 8.310 nan 0.000 0.463 31 D N 2.055 122.439 120.400 -0.027 0.000 2.328 31 D HA 0.160 4.805 4.640 0.007 0.000 0.221 31 D C -0.034 176.206 176.300 -0.100 0.000 1.072 31 D CA -0.001 53.973 54.000 -0.044 0.000 0.850 31 D CB 0.161 40.943 40.800 -0.029 0.000 0.922 31 D HN 0.207 nan 8.370 nan 0.000 0.516 32 K N 1.186 121.506 120.400 -0.133 0.000 2.205 32 K HA 0.363 4.687 4.320 0.007 0.000 0.279 32 K C 0.246 176.569 176.600 -0.462 0.000 1.027 32 K CA -0.503 55.579 56.287 -0.341 0.000 0.932 32 K CB 1.502 33.772 32.500 -0.384 0.000 1.032 32 K HN 0.012 nan 8.250 nan 0.000 0.466 33 R N 2.532 122.661 120.500 -0.618 0.000 2.599 33 R HA 0.426 4.770 4.340 0.007 0.000 0.295 33 R C -0.621 175.231 176.300 -0.748 0.000 0.963 33 R CA -0.781 55.013 56.100 -0.511 0.000 0.883 33 R CB 0.928 31.020 30.300 -0.346 0.000 1.171 33 R HN 0.519 nan 8.270 nan 0.000 0.450 34 Y N 0.698 120.793 120.300 -0.343 0.000 2.602 34 Y HA 0.609 5.163 4.550 0.007 0.000 0.342 34 Y C -0.008 175.537 175.900 -0.591 0.000 1.029 34 Y CA -1.077 56.755 58.100 -0.446 0.000 1.080 34 Y CB 1.885 40.047 38.460 -0.498 0.000 1.284 34 Y HN 0.452 nan 8.280 nan 0.000 0.485 35 I N 0.172 120.470 120.570 -0.454 0.000 2.689 35 I HA 0.437 4.611 4.170 0.007 0.000 0.299 35 I C -1.791 174.034 176.117 -0.487 0.000 1.059 35 I CA -0.977 60.006 61.300 -0.529 0.000 1.055 35 I CB 1.505 39.153 38.000 -0.587 0.000 1.243 35 I HN 0.581 nan 8.210 nan 0.000 0.425 36 W N 7.367 128.572 121.300 -0.159 0.000 2.338 36 W HA 0.472 5.136 4.660 0.007 0.000 0.307 36 W C -1.034 175.527 176.519 0.070 0.000 1.167 36 W CA -0.352 56.937 57.345 -0.094 0.000 1.208 36 W CB 0.874 30.191 29.460 -0.239 0.000 1.228 36 W HN 0.381 nan 8.180 nan 0.000 0.499 37 Y N 0.562 121.046 120.300 0.307 0.000 2.553 37 Y HA 0.498 5.053 4.550 0.007 0.000 0.347 37 Y C -0.531 175.511 175.900 0.236 0.000 1.019 37 Y CA -1.909 56.331 58.100 0.234 0.000 1.032 37 Y CB 0.801 39.300 38.460 0.065 0.000 1.284 37 Y HN 0.254 nan 8.280 nan 0.000 0.466 38 N N 4.593 123.360 118.700 0.112 0.000 2.405 38 N HA 0.189 4.933 4.740 0.007 0.000 0.260 38 N C -2.096 173.484 175.510 0.116 0.000 1.152 38 N CA -1.583 51.400 53.050 -0.112 0.000 0.948 38 N CB 1.374 39.771 38.487 -0.150 0.000 1.111 38 N HN 0.583 nan 8.380 nan 0.000 0.485 39 P HA -0.109 nan 4.420 nan 0.000 0.216 39 P C -0.002 177.367 177.300 0.115 0.000 1.150 39 P CA 1.422 64.638 63.100 0.192 0.000 0.837 39 P CB 0.336 32.085 31.700 0.082 0.000 0.786 40 D N -1.473 118.939 120.400 0.021 0.000 2.471 40 D HA 0.116 4.760 4.640 0.007 0.000 0.245 40 D C -1.812 174.474 176.300 -0.023 0.000 1.116 40 D CA -2.786 51.217 54.000 0.005 0.000 0.853 40 D CB 1.107 41.898 40.800 -0.014 0.000 1.123 40 D HN -0.046 nan 8.370 nan 0.000 0.540 41 P HA -0.158 nan 4.420 nan 0.000 0.226 41 P C 0.741 178.023 177.300 -0.030 0.000 1.146 41 P CA 0.804 63.900 63.100 -0.005 0.000 0.773 41 P CB 0.232 31.946 31.700 0.022 0.000 0.772 42 K N 0.175 120.555 120.400 -0.033 0.000 2.296 42 K HA 0.015 4.339 4.320 0.007 0.000 0.200 42 K C 0.680 177.242 176.600 -0.064 0.000 1.048 42 K CA 0.610 56.873 56.287 -0.040 0.000 0.966 42 K CB -0.226 32.256 32.500 -0.030 0.000 0.754 42 K HN 0.280 nan 8.250 nan 0.000 0.466 43 E N 2.744 122.891 120.200 -0.088 0.000 1.964 43 E HA 0.055 4.409 4.350 0.007 0.000 0.264 43 E C 0.935 177.413 176.600 -0.203 0.000 1.120 43 E CA -0.308 56.012 56.400 -0.132 0.000 1.061 43 E CB 0.530 30.147 29.700 -0.138 0.000 1.190 43 E HN 0.267 nan 8.360 nan 0.000 0.459 44 R N 1.326 121.725 120.500 -0.168 0.000 2.127 44 R HA -0.168 4.177 4.340 0.007 0.000 0.238 44 R C 0.274 176.396 176.300 -0.297 0.000 1.134 44 R CA 1.807 57.800 56.100 -0.179 0.000 0.975 44 R CB -0.278 29.969 30.300 -0.087 0.000 0.865 44 R HN 0.190 nan 8.270 nan 0.000 0.447 45 D N -0.120 120.116 120.400 -0.273 0.000 2.772 45 D HA 0.120 4.765 4.640 0.007 0.000 0.272 45 D C -0.890 175.200 176.300 -0.350 0.000 1.314 45 D CA -0.604 53.240 54.000 -0.260 0.000 0.835 45 D CB 0.895 41.645 40.800 -0.084 0.000 1.080 45 D HN 0.081 nan 8.370 nan 0.000 0.482 46 S N 0.268 115.665 115.700 -0.505 0.000 2.596 46 S HA 0.543 5.018 4.470 0.007 0.000 0.318 46 S C -1.480 172.805 174.600 -0.526 0.000 1.097 46 S CA -0.552 57.422 58.200 -0.377 0.000 1.080 46 S CB 0.264 63.318 63.200 -0.243 0.000 0.991 46 S HN 0.207 nan 8.310 nan 0.000 0.471 47 Y N 2.027 122.222 120.300 -0.176 0.000 2.562 47 Y HA 0.661 5.215 4.550 0.007 0.000 0.343 47 Y C 0.617 176.424 175.900 -0.156 0.000 1.025 47 Y CA -0.865 57.133 58.100 -0.170 0.000 1.082 47 Y CB 1.417 39.798 38.460 -0.132 0.000 1.264 47 Y HN 0.505 nan 8.280 nan 0.000 0.478 48 E N 0.018 120.131 120.200 -0.145 0.000 2.410 48 E HA 0.329 4.683 4.350 0.007 0.000 0.269 48 E C -1.451 175.166 176.600 0.029 0.000 0.937 48 E CA -0.835 55.511 56.400 -0.090 0.000 0.793 48 E CB 2.661 32.199 29.700 -0.269 0.000 1.314 48 E HN 0.619 nan 8.360 nan 0.000 0.447 49 C N 0.995 120.360 119.300 0.109 0.000 2.273 49 C HA 0.761 5.225 4.460 0.007 0.000 0.328 49 C C 0.377 175.438 174.990 0.119 0.000 1.275 49 C CA -0.049 58.880 59.018 -0.147 0.000 1.704 49 C CB -0.903 26.572 27.740 -0.442 0.000 2.326 49 C HN 0.641 nan 8.230 nan 0.000 0.517 50 G N 4.304 113.181 108.800 0.128 0.000 2.415 50 G HA2 0.487 4.451 3.960 0.007 0.000 0.327 50 G HA3 0.487 4.451 3.960 0.007 0.000 0.327 50 G C -1.061 173.905 174.900 0.111 0.000 1.182 50 G CA -0.214 44.993 45.100 0.178 0.000 0.924 50 G HN 0.906 nan 8.290 nan 0.000 0.470 51 E N 2.510 122.819 120.200 0.181 0.000 2.229 51 E HA 0.246 4.600 4.350 0.007 0.000 0.283 51 E C -0.072 176.489 176.600 -0.066 0.000 1.030 51 E CA -0.542 55.846 56.400 -0.019 0.000 0.836 51 E CB 0.732 30.419 29.700 -0.021 0.000 1.068 51 E HN 0.335 nan 8.360 nan 0.000 0.401 52 I N 4.873 125.312 120.570 -0.218 0.000 2.496 52 I HA -0.041 4.133 4.170 0.007 0.000 0.285 52 I C 0.838 176.900 176.117 -0.092 0.000 1.080 52 I CA -0.133 61.090 61.300 -0.129 0.000 1.404 52 I CB 1.279 39.095 38.000 -0.307 0.000 1.403 52 I HN 0.541 nan 8.210 nan 0.000 0.539 53 V N 4.286 124.196 119.914 -0.006 0.000 3.455 53 V HA 0.098 4.222 4.120 0.007 0.000 0.250 53 V C 0.424 176.522 176.094 0.007 0.000 1.230 53 V CA 0.929 63.221 62.300 -0.014 0.000 1.105 53 V CB 0.623 32.441 31.823 -0.008 0.000 0.850 53 V HN 0.948 nan 8.190 nan 0.000 0.461 54 S N -0.182 115.547 115.700 0.048 0.000 2.636 54 S HA 0.604 5.078 4.470 0.007 0.000 0.266 54 S C -1.328 173.355 174.600 0.138 0.000 1.147 54 S CA -0.749 57.491 58.200 0.065 0.000 0.815 54 S CB 2.291 65.511 63.200 0.033 0.000 1.119 54 S HN 0.449 nan 8.310 nan 0.000 0.470 55 E N -0.478 119.793 120.200 0.118 0.000 2.429 55 E HA 0.751 5.105 4.350 0.007 0.000 0.276 55 E C -0.580 176.031 176.600 0.018 0.000 0.953 55 E CA -1.016 55.449 56.400 0.109 0.000 0.787 55 E CB 1.802 31.601 29.700 0.164 0.000 1.307 55 E HN 0.858 nan 8.360 nan 0.000 0.458 56 T N -1.924 112.607 114.554 -0.038 0.000 2.768 56 T HA 0.276 4.630 4.350 0.007 0.000 0.268 56 T C 1.122 175.773 174.700 -0.081 0.000 0.969 56 T CA -0.054 62.018 62.100 -0.046 0.000 1.008 56 T CB 0.977 69.818 68.868 -0.046 0.000 1.371 56 T HN 0.465 nan 8.240 nan 0.000 0.587 57 S N 0.600 116.261 115.700 -0.066 0.000 2.383 57 S HA -0.157 4.318 4.470 0.007 0.000 0.229 57 S C 1.296 175.829 174.600 -0.111 0.000 1.030 57 S CA 2.162 60.319 58.200 -0.071 0.000 1.002 57 S CB -0.962 62.211 63.200 -0.045 0.000 0.829 57 S HN 0.899 nan 8.310 nan 0.000 0.467 58 D N -0.849 119.477 120.400 -0.123 0.000 2.500 58 D HA 0.279 4.924 4.640 0.007 0.000 0.217 58 D C 0.055 176.228 176.300 -0.212 0.000 1.159 58 D CA -0.166 53.744 54.000 -0.150 0.000 0.828 58 D CB 0.068 40.815 40.800 -0.088 0.000 1.039 58 D HN 0.210 nan 8.370 nan 0.000 0.512 59 S N -0.470 115.096 115.700 -0.222 0.000 2.600 59 S HA 0.639 5.113 4.470 0.007 0.000 0.300 59 S C -1.051 173.368 174.600 -0.302 0.000 1.087 59 S CA -0.661 57.408 58.200 -0.219 0.000 0.965 59 S CB 1.174 64.333 63.200 -0.068 0.000 1.089 59 S HN 0.037 nan 8.310 nan 0.000 0.496 60 F N 1.130 121.106 119.950 0.045 0.000 2.425 60 F HA 0.497 5.028 4.527 0.007 0.000 0.331 60 F C 0.944 176.794 175.800 0.084 0.000 1.085 60 F CA -0.615 57.421 58.000 0.060 0.000 1.028 60 F CB 1.382 40.428 39.000 0.076 0.000 1.177 60 F HN 0.291 nan 8.300 nan 0.000 0.487 61 T N 4.346 119.052 114.554 0.253 0.000 2.794 61 T HA 0.609 4.963 4.350 0.007 0.000 0.280 61 T C -0.920 173.868 174.700 0.146 0.000 0.987 61 T CA -0.303 61.860 62.100 0.105 0.000 0.993 61 T CB 0.321 69.194 68.868 0.008 0.000 0.939 61 T HN 0.381 nan 8.240 nan 0.000 0.449 62 F N 0.278 120.203 119.950 -0.042 0.000 2.620 62 F HA 0.884 5.415 4.527 0.007 0.000 0.320 62 F C -0.594 175.138 175.800 -0.113 0.000 1.069 62 F CA -1.702 56.243 58.000 -0.092 0.000 0.953 62 F CB 1.186 40.112 39.000 -0.123 0.000 1.322 62 F HN 0.086 nan 8.300 nan 0.000 0.479 63 K N 1.934 122.383 120.400 0.082 0.000 2.248 63 K HA 0.355 4.679 4.320 0.007 0.000 0.281 63 K C 0.046 176.715 176.600 0.115 0.000 1.054 63 K CA -0.250 56.043 56.287 0.011 0.000 0.903 63 K CB 0.924 33.444 32.500 0.035 0.000 1.077 63 K HN 0.895 nan 8.250 nan 0.000 0.474 64 T N -0.778 113.770 114.554 -0.009 0.000 2.698 64 T HA 0.037 4.392 4.350 0.007 0.000 0.295 64 T C 1.469 176.281 174.700 0.187 0.000 1.007 64 T CA -0.063 62.087 62.100 0.083 0.000 0.980 64 T CB 0.526 69.401 68.868 0.012 0.000 1.036 64 T HN 0.261 nan 8.240 nan 0.000 0.526 65 V N -0.956 119.134 119.914 0.293 0.000 2.759 65 V HA 0.042 4.166 4.120 0.007 0.000 0.256 65 V C 0.912 177.081 176.094 0.124 0.000 1.080 65 V CA 1.420 63.837 62.300 0.195 0.000 1.101 65 V CB -1.327 30.609 31.823 0.188 0.000 0.698 65 V HN 0.920 nan 8.190 nan 0.000 0.477 66 D N 0.070 120.537 120.400 0.111 0.000 2.894 66 D HA 0.465 5.109 4.640 0.007 0.000 0.273 66 D C 1.322 177.649 176.300 0.044 0.000 1.328 66 D CA 0.089 54.130 54.000 0.069 0.000 0.845 66 D CB 0.126 40.964 40.800 0.063 0.000 1.072 66 D HN 0.575 nan 8.370 nan 0.000 0.484 67 G N 0.842 109.666 108.800 0.041 0.000 2.179 67 G HA2 -0.331 3.633 3.960 0.007 0.000 0.260 67 G HA3 -0.331 3.633 3.960 0.007 0.000 0.260 67 G C 0.149 175.037 174.900 -0.020 0.000 0.977 67 G CA 0.305 45.413 45.100 0.014 0.000 0.641 67 G HN 0.684 nan 8.290 nan 0.000 0.533 68 Q N 0.824 120.602 119.800 -0.036 0.000 2.243 68 Q HA 0.587 4.931 4.340 0.007 0.000 0.252 68 Q C -0.889 175.007 176.000 -0.174 0.000 0.909 68 Q CA -0.689 55.064 55.803 -0.083 0.000 0.922 68 Q CB 1.283 29.979 28.738 -0.069 0.000 1.215 68 Q HN 0.211 nan 8.270 nan 0.000 0.427 69 D N 3.382 123.672 120.400 -0.183 0.000 2.343 69 D HA 0.225 4.869 4.640 0.007 0.000 0.255 69 D C -0.222 175.856 176.300 -0.370 0.000 1.187 69 D CA 0.110 53.950 54.000 -0.265 0.000 0.875 69 D CB 0.820 41.517 40.800 -0.172 0.000 1.136 69 D HN 0.474 nan 8.370 nan 0.000 0.469 70 R N 1.042 121.135 120.500 -0.677 0.000 2.930 70 R HA 0.499 4.843 4.340 0.007 0.000 0.257 70 R C -0.171 175.740 176.300 -0.649 0.000 1.107 70 R CA -0.875 54.809 56.100 -0.692 0.000 0.999 70 R CB 2.124 31.866 30.300 -0.930 0.000 1.209 70 R HN 0.496 nan 8.270 nan 0.000 0.486 71 Q N -0.130 119.481 119.800 -0.315 0.000 2.456 71 Q HA 0.704 5.049 4.340 0.007 0.000 0.284 71 Q C -1.799 174.261 176.000 0.099 0.000 1.061 71 Q CA -0.884 54.872 55.803 -0.078 0.000 0.799 71 Q CB 2.661 31.372 28.738 -0.046 0.000 1.445 71 Q HN 0.336 nan 8.270 nan 0.000 0.411 72 V N 1.164 121.207 119.914 0.215 0.000 2.932 72 V HA 0.440 4.565 4.120 0.007 0.000 0.307 72 V C -1.523 174.646 176.094 0.125 0.000 1.147 72 V CA -0.832 61.600 62.300 0.220 0.000 0.951 72 V CB 2.409 34.441 31.823 0.349 0.000 1.031 72 V HN 0.804 nan 8.190 nan 0.000 0.426 73 K N 4.155 124.596 120.400 0.067 0.000 2.401 73 K HA 0.236 4.560 4.320 0.007 0.000 0.278 73 K C 1.031 177.617 176.600 -0.023 0.000 1.018 73 K CA -0.046 56.237 56.287 -0.007 0.000 0.981 73 K CB 0.968 33.467 32.500 -0.001 0.000 0.933 73 K HN 0.658 nan 8.250 nan 0.000 0.477 74 K N 1.455 121.748 120.400 -0.179 0.000 2.059 74 K HA -0.213 4.112 4.320 0.007 0.000 0.212 74 K C 1.056 177.636 176.600 -0.033 0.000 1.050 74 K CA 1.798 57.943 56.287 -0.237 0.000 0.927 74 K CB 0.051 32.312 32.500 -0.397 0.000 0.714 74 K HN 0.462 nan 8.250 nan 0.000 0.447 75 D N 0.761 121.144 120.400 -0.028 0.000 2.265 75 D HA -0.122 4.522 4.640 0.007 0.000 0.208 75 D C 0.922 177.248 176.300 0.043 0.000 0.977 75 D CA 1.103 55.112 54.000 0.014 0.000 0.871 75 D CB -0.077 40.727 40.800 0.008 0.000 0.925 75 D HN 0.213 nan 8.370 nan 0.000 0.485 76 D N -0.417 120.016 120.400 0.056 0.000 2.369 76 D HA 0.165 4.809 4.640 0.007 0.000 0.211 76 D C 0.447 176.811 176.300 0.106 0.000 1.077 76 D CA -0.012 54.035 54.000 0.078 0.000 0.842 76 D CB 0.423 41.272 40.800 0.081 0.000 0.947 76 D HN 0.020 nan 8.370 nan 0.000 0.509 77 A N 0.941 123.833 122.820 0.121 0.000 2.340 77 A HA 0.305 4.629 4.320 0.007 0.000 0.268 77 A C 0.331 177.954 177.584 0.065 0.000 1.100 77 A CA -0.378 51.741 52.037 0.138 0.000 0.803 77 A CB 0.419 19.593 19.000 0.290 0.000 1.043 77 A HN -0.051 nan 8.150 nan 0.000 0.488 78 N N 2.646 121.370 118.700 0.040 0.000 2.817 78 N HA 0.134 4.878 4.740 0.007 0.000 0.234 78 N C -0.683 174.765 175.510 -0.103 0.000 1.066 78 N CA -0.012 53.050 53.050 0.020 0.000 0.926 78 N CB 1.084 39.633 38.487 0.103 0.000 1.176 78 N HN 0.690 nan 8.380 nan 0.000 0.506 79 Q N 0.773 120.371 119.800 -0.336 0.000 2.373 79 Q HA 0.139 4.483 4.340 0.007 0.000 0.255 79 Q C 0.353 176.099 176.000 -0.423 0.000 0.980 79 Q CA 0.118 55.549 55.803 -0.619 0.000 0.882 79 Q CB 1.747 29.767 28.738 -1.196 0.000 1.249 79 Q HN 0.302 nan 8.270 nan 0.000 0.438 80 R N 2.359 122.603 120.500 -0.426 0.000 2.297 80 R HA 0.116 4.460 4.340 0.007 0.000 0.308 80 R C -0.414 175.933 176.300 0.079 0.000 1.029 80 R CA -0.501 55.443 56.100 -0.260 0.000 0.929 80 R CB 0.614 30.484 30.300 -0.717 0.000 1.046 80 R HN 0.612 nan 8.270 nan 0.000 0.461 81 N N 4.647 123.500 118.700 0.254 0.000 2.407 81 N HA 0.039 4.784 4.740 0.007 0.000 0.250 81 N C -2.286 173.356 175.510 0.219 0.000 1.236 81 N CA -0.604 52.549 53.050 0.173 0.000 0.879 81 N CB 0.563 39.042 38.487 -0.014 0.000 1.088 81 N HN 0.452 nan 8.380 nan 0.000 0.450 82 P HA 0.018 nan 4.420 nan 0.000 0.268 82 P C 1.205 178.715 177.300 0.349 0.000 1.208 82 P CA -0.318 62.968 63.100 0.310 0.000 0.777 82 P CB 0.602 32.509 31.700 0.346 0.000 0.875 83 I N 2.061 122.747 120.570 0.194 0.000 2.423 83 I HA -0.241 3.934 4.170 0.007 0.000 0.254 83 I C 1.928 178.114 176.117 0.114 0.000 1.151 83 I CA 1.751 63.139 61.300 0.148 0.000 1.421 83 I CB -0.408 37.634 38.000 0.071 0.000 1.079 83 I HN 0.233 nan 8.210 nan 0.000 0.431 84 K N 0.352 120.780 120.400 0.047 0.000 2.209 84 K HA -0.131 4.193 4.320 0.007 0.000 0.204 84 K C 1.612 178.145 176.600 -0.113 0.000 1.048 84 K CA 1.694 57.920 56.287 -0.101 0.000 0.940 84 K CB -0.610 31.741 32.500 -0.247 0.000 0.729 84 K HN 0.361 nan 8.250 nan 0.000 0.451 85 F N 0.813 120.799 119.950 0.060 0.000 2.780 85 F HA 0.093 4.624 4.527 0.007 0.000 0.299 85 F C 0.137 175.984 175.800 0.078 0.000 1.146 85 F CA -0.042 58.002 58.000 0.073 0.000 1.428 85 F CB -0.000 39.055 39.000 0.092 0.000 1.115 85 F HN -0.137 nan 8.300 nan 0.000 0.583 86 D N 0.343 120.881 120.400 0.230 0.000 2.338 86 D HA 0.373 5.017 4.640 0.007 0.000 0.255 86 D C 1.183 177.516 176.300 0.054 0.000 1.237 86 D CA 0.882 54.971 54.000 0.148 0.000 0.883 86 D CB 0.746 41.641 40.800 0.159 0.000 1.087 86 D HN 0.337 nan 8.370 nan 0.000 0.485 87 G N 1.290 110.102 108.800 0.021 0.000 2.184 87 G HA2 -0.240 3.725 3.960 0.007 0.000 0.206 87 G HA3 -0.240 3.725 3.960 0.007 0.000 0.206 87 G C 0.471 175.387 174.900 0.026 0.000 0.995 87 G CA -0.043 45.055 45.100 -0.003 0.000 0.651 87 G HN 0.682 nan 8.290 nan 0.000 0.511 88 V N -0.987 118.969 119.914 0.070 0.000 3.032 88 V HA 0.386 4.511 4.120 0.007 0.000 0.307 88 V C 1.328 177.477 176.094 0.091 0.000 1.097 88 V CA 1.181 63.533 62.300 0.088 0.000 1.191 88 V CB 0.880 32.790 31.823 0.144 0.000 0.964 88 V HN 0.366 nan 8.190 nan 0.000 0.494 89 E N 0.677 120.944 120.200 0.111 0.000 2.435 89 E HA 0.046 4.400 4.350 0.007 0.000 0.195 89 E C -0.068 176.670 176.600 0.229 0.000 1.029 89 E CA 0.663 57.150 56.400 0.145 0.000 0.865 89 E CB 0.229 30.033 29.700 0.174 0.000 0.833 89 E HN 0.881 nan 8.360 nan 0.000 0.510 90 D N -0.554 119.973 120.400 0.212 0.000 2.863 90 D HA 0.101 4.745 4.640 0.007 0.000 0.245 90 D C 0.794 177.203 176.300 0.181 0.000 1.211 90 D CA -0.393 53.753 54.000 0.243 0.000 0.888 90 D CB 1.274 42.203 40.800 0.215 0.000 1.483 90 D HN -0.240 nan 8.370 nan 0.000 0.533 91 M N 1.530 121.234 119.600 0.174 0.000 2.358 91 M HA -0.073 4.411 4.480 0.007 0.000 0.264 91 M C 1.581 177.960 176.300 0.133 0.000 1.064 91 M CA 0.729 56.114 55.300 0.141 0.000 1.093 91 M CB -0.836 31.843 32.600 0.131 0.000 1.401 91 M HN 0.248 nan 8.290 nan 0.000 0.440 92 S N 0.534 116.314 115.700 0.135 0.000 2.547 92 S HA -0.091 4.383 4.470 0.007 0.000 0.235 92 S C 1.488 176.147 174.600 0.098 0.000 0.980 92 S CA 0.729 58.989 58.200 0.099 0.000 0.941 92 S CB -0.263 62.982 63.200 0.075 0.000 0.763 92 S HN 0.551 nan 8.310 nan 0.000 0.532 93 E N 0.409 120.693 120.200 0.140 0.000 2.478 93 E HA 0.141 4.495 4.350 0.007 0.000 0.194 93 E C -0.200 176.580 176.600 0.299 0.000 1.045 93 E CA -0.036 56.482 56.400 0.195 0.000 0.868 93 E CB 0.121 29.937 29.700 0.193 0.000 0.885 93 E HN 0.443 nan 8.360 nan 0.000 0.505 94 L N 0.685 122.018 121.223 0.182 0.000 2.397 94 L HA 0.069 4.413 4.340 0.007 0.000 0.271 94 L C 1.506 178.279 176.870 -0.161 0.000 1.148 94 L CA -0.146 54.709 54.840 0.024 0.000 0.825 94 L CB 1.247 43.314 42.059 0.013 0.000 1.117 94 L HN 0.009 nan 8.230 nan 0.000 0.456 95 S N 1.638 116.978 115.700 -0.600 0.000 2.388 95 S HA 0.028 4.502 4.470 0.007 0.000 0.223 95 S C 0.385 174.701 174.600 -0.473 0.000 1.034 95 S CA 0.322 58.200 58.200 -0.537 0.000 0.963 95 S CB 0.076 62.795 63.200 -0.800 0.000 0.827 95 S HN 0.395 nan 8.310 nan 0.000 0.481 96 Y N 1.594 121.745 120.300 -0.250 0.000 2.404 96 Y HA 0.438 4.992 4.550 0.007 0.000 0.344 96 Y C 0.358 176.221 175.900 -0.061 0.000 0.995 96 Y CA -0.485 57.550 58.100 -0.110 0.000 1.201 96 Y CB 0.531 38.944 38.460 -0.080 0.000 1.151 96 Y HN 0.099 nan 8.280 nan 0.000 0.517 97 L N 3.965 125.263 121.223 0.126 0.000 2.872 97 L HA 0.158 4.503 4.340 0.007 0.000 0.245 97 L C 0.658 177.570 176.870 0.071 0.000 1.211 97 L CA -0.264 54.624 54.840 0.079 0.000 1.013 97 L CB -0.424 41.672 42.059 0.061 0.000 1.326 97 L HN 0.661 nan 8.230 nan 0.000 0.525 98 N N -0.405 118.340 118.700 0.075 0.000 2.371 98 N HA -0.031 4.713 4.740 0.007 0.000 0.243 98 N C 0.293 175.786 175.510 -0.030 0.000 1.287 98 N CA -0.319 52.751 53.050 0.032 0.000 0.911 98 N CB 1.082 39.591 38.487 0.037 0.000 1.142 98 N HN 0.163 nan 8.380 nan 0.000 0.451 99 E N 0.088 120.253 120.200 -0.058 0.000 2.058 99 E HA -0.158 4.197 4.350 0.007 0.000 0.194 99 E C -0.756 175.692 176.600 -0.253 0.000 0.997 99 E CA 1.431 57.773 56.400 -0.096 0.000 0.801 99 E CB -0.854 28.824 29.700 -0.038 0.000 0.746 99 E HN 0.639 nan 8.360 nan 0.000 0.450 100 P HA -0.099 nan 4.420 nan 0.000 0.219 100 P C 1.077 177.887 177.300 -0.817 0.000 1.150 100 P CA 1.416 63.919 63.100 -0.994 0.000 0.814 100 P CB 0.099 30.722 31.700 -1.794 0.000 0.787 101 A N 0.136 122.687 122.820 -0.450 0.000 1.933 101 A HA -0.095 4.229 4.320 0.007 0.000 0.218 101 A C 2.448 180.006 177.584 -0.042 0.000 1.175 101 A CA 1.631 53.609 52.037 -0.097 0.000 0.628 101 A CB -1.607 17.476 19.000 0.138 0.000 0.814 101 A HN 0.050 nan 8.150 nan 0.000 0.444 102 V N -1.294 118.589 119.914 -0.052 0.000 2.307 102 V HA -0.213 3.912 4.120 0.007 0.000 0.245 102 V C 2.268 178.341 176.094 -0.035 0.000 1.045 102 V CA 2.050 64.343 62.300 -0.011 0.000 1.024 102 V CB -0.926 30.906 31.823 0.015 0.000 0.651 102 V HN 0.632 nan 8.190 nan 0.000 0.449 103 F N 0.889 120.719 119.950 -0.199 0.000 2.134 103 F HA -0.217 4.314 4.527 0.007 0.000 0.299 103 F C 2.426 178.108 175.800 -0.197 0.000 1.097 103 F CA 2.261 60.139 58.000 -0.203 0.000 1.264 103 F CB -0.542 38.313 39.000 -0.243 0.000 1.001 103 F HN 0.329 nan 8.300 nan 0.000 0.479 104 H N -0.113 118.703 119.070 -0.423 0.000 2.319 104 H HA -0.184 4.376 4.556 0.007 0.000 0.299 104 H C 2.164 177.326 175.328 -0.277 0.000 1.092 104 H CA 2.320 58.112 56.048 -0.426 0.000 1.302 104 H CB -0.689 28.870 29.762 -0.337 0.000 1.373 104 H HN 0.323 nan 8.280 nan 0.000 0.497 105 N N -0.171 118.404 118.700 -0.209 0.000 2.120 105 N HA -0.118 4.626 4.740 0.007 0.000 0.188 105 N C 2.109 177.474 175.510 -0.242 0.000 1.024 105 N CA 1.139 54.074 53.050 -0.192 0.000 0.852 105 N CB -0.355 38.121 38.487 -0.018 0.000 1.003 105 N HN 0.393 nan 8.380 nan 0.000 0.424 106 L N 0.200 121.262 121.223 -0.268 0.000 2.013 106 L HA -0.232 4.112 4.340 0.007 0.000 0.212 106 L C 2.568 179.228 176.870 -0.350 0.000 1.073 106 L CA 1.633 56.303 54.840 -0.283 0.000 0.753 106 L CB -0.406 41.458 42.059 -0.325 0.000 0.890 106 L HN 0.320 nan 8.230 nan 0.000 0.432 107 R N -0.258 119.888 120.500 -0.590 0.000 2.073 107 R HA -0.146 4.199 4.340 0.007 0.000 0.234 107 R C 2.037 178.167 176.300 -0.284 0.000 1.134 107 R CA 1.822 57.611 56.100 -0.520 0.000 0.952 107 R CB -0.850 29.000 30.300 -0.751 0.000 0.850 107 R HN 0.109 nan 8.270 nan 0.000 0.433 108 V N 1.298 120.984 119.914 -0.380 0.000 2.282 108 V HA -0.294 3.831 4.120 0.007 0.000 0.249 108 V C 2.520 178.523 176.094 -0.150 0.000 1.057 108 V CA 2.457 64.593 62.300 -0.273 0.000 1.032 108 V CB -0.533 31.082 31.823 -0.346 0.000 0.645 108 V HN 0.406 nan 8.190 nan 0.000 0.447 109 R N -1.602 118.816 120.500 -0.137 0.000 2.066 109 R HA -0.160 4.184 4.340 0.007 0.000 0.232 109 R C 2.341 178.608 176.300 -0.055 0.000 1.131 109 R CA 1.826 57.876 56.100 -0.084 0.000 0.955 109 R CB -0.531 29.727 30.300 -0.070 0.000 0.851 109 R HN 0.550 nan 8.270 nan 0.000 0.432 110 Y N 2.283 122.472 120.300 -0.185 0.000 2.256 110 Y HA -0.205 4.349 4.550 0.007 0.000 0.288 110 Y C 1.756 177.581 175.900 -0.125 0.000 1.155 110 Y CA 1.397 59.399 58.100 -0.165 0.000 1.203 110 Y CB -0.175 38.175 38.460 -0.184 0.000 0.980 110 Y HN 0.052 nan 8.280 nan 0.000 0.530 111 N N 0.150 118.833 118.700 -0.028 0.000 2.364 111 N HA -0.156 4.588 4.740 0.007 0.000 0.183 111 N C 0.919 176.364 175.510 -0.109 0.000 1.022 111 N CA 1.394 54.405 53.050 -0.065 0.000 0.883 111 N CB -0.244 38.218 38.487 -0.043 0.000 0.965 111 N HN 0.580 nan 8.380 nan 0.000 0.438 112 Q N 0.070 119.799 119.800 -0.118 0.000 2.220 112 Q HA 0.090 4.434 4.340 0.007 0.000 0.205 112 Q C -0.747 175.173 176.000 -0.135 0.000 0.865 112 Q CA -0.212 55.526 55.803 -0.109 0.000 0.960 112 Q CB 0.621 29.308 28.738 -0.086 0.000 1.097 112 Q HN 0.075 nan 8.270 nan 0.000 0.493 113 D N 0.178 120.447 120.400 -0.219 0.000 2.945 113 D HA -0.168 4.476 4.640 0.007 0.000 0.225 113 D C -0.943 175.231 176.300 -0.210 0.000 1.158 113 D CA 0.841 54.675 54.000 -0.276 0.000 0.805 113 D CB -1.253 39.446 40.800 -0.168 0.000 1.098 113 D HN 0.337 nan 8.370 nan 0.000 0.426 114 L N 1.276 122.396 121.223 -0.170 0.000 2.288 114 L HA 0.347 4.691 4.340 0.007 0.000 0.283 114 L C 2.057 178.849 176.870 -0.131 0.000 1.072 114 L CA -0.504 54.262 54.840 -0.123 0.000 0.862 114 L CB 0.373 42.382 42.059 -0.083 0.000 1.245 114 L HN 0.096 nan 8.230 nan 0.000 0.432 115 I N -1.500 118.934 120.570 -0.227 0.000 3.603 115 I HA 0.108 4.282 4.170 0.007 0.000 0.297 115 I C -0.151 175.733 176.117 -0.389 0.000 1.269 115 I CA 0.178 61.305 61.300 -0.287 0.000 1.361 115 I CB 0.073 37.799 38.000 -0.457 0.000 1.063 115 I HN 0.228 nan 8.210 nan 0.000 0.448 116 Y N 1.720 121.925 120.300 -0.157 0.000 2.341 116 Y HA 0.648 5.202 4.550 0.007 0.000 0.337 116 Y C -0.109 175.667 175.900 -0.207 0.000 1.014 116 Y CA -0.792 57.184 58.100 -0.206 0.000 1.111 116 Y CB 1.857 40.148 38.460 -0.282 0.000 1.194 116 Y HN -0.085 nan 8.280 nan 0.000 0.462 117 T N 2.572 117.099 114.554 -0.045 0.000 3.105 117 T HA 0.335 4.690 4.350 0.007 0.000 0.321 117 T C -1.287 173.374 174.700 -0.065 0.000 1.135 117 T CA -0.989 61.069 62.100 -0.070 0.000 1.053 117 T CB 0.577 69.440 68.868 -0.008 0.000 1.133 117 T HN 0.207 nan 8.240 nan 0.000 0.463 118 Y N 1.204 121.584 120.300 0.134 0.000 2.326 118 Y HA 0.517 5.071 4.550 0.007 0.000 0.333 118 Y C 1.142 177.141 175.900 0.165 0.000 1.240 118 Y CA -0.359 57.837 58.100 0.160 0.000 1.365 118 Y CB 1.038 39.584 38.460 0.144 0.000 1.289 118 Y HN 0.569 nan 8.280 nan 0.000 0.548 119 S N 1.692 117.639 115.700 0.412 0.000 2.524 119 S HA 0.526 5.001 4.470 0.007 0.000 0.227 119 S C 0.335 175.140 174.600 0.341 0.000 1.304 119 S CA 0.054 58.457 58.200 0.338 0.000 1.185 119 S CB -0.575 62.816 63.200 0.318 0.000 1.104 119 S HN 1.227 nan 8.310 nan 0.000 0.475 120 G N 4.271 113.210 108.800 0.231 0.000 2.596 120 G HA2 -0.310 3.654 3.960 0.007 0.000 0.304 120 G HA3 -0.310 3.654 3.960 0.007 0.000 0.304 120 G C 0.752 175.732 174.900 0.134 0.000 1.189 120 G CA 0.633 45.819 45.100 0.143 0.000 0.986 120 G HN 0.790 nan 8.290 nan 0.000 0.548 121 L N 0.291 121.563 121.223 0.081 0.000 2.217 121 L HA 0.249 4.593 4.340 0.007 0.000 0.211 121 L C 1.369 178.367 176.870 0.213 0.000 1.107 121 L CA 0.283 55.181 54.840 0.097 0.000 0.783 121 L CB -0.332 41.752 42.059 0.041 0.000 0.919 121 L HN 0.225 nan 8.230 nan 0.000 0.442 122 F N 0.250 120.402 119.950 0.337 0.000 2.389 122 F HA 0.275 4.806 4.527 0.007 0.000 0.337 122 F C 0.254 176.271 175.800 0.363 0.000 1.112 122 F CA -0.834 57.347 58.000 0.300 0.000 1.192 122 F CB 0.593 39.669 39.000 0.127 0.000 1.185 122 F HN -0.255 nan 8.300 nan 0.000 0.552 123 L N 3.588 125.132 121.223 0.535 0.000 2.264 123 L HA 0.533 4.877 4.340 0.007 0.000 0.289 123 L C -0.876 176.124 176.870 0.217 0.000 1.044 123 L CA -0.395 54.628 54.840 0.305 0.000 0.807 123 L CB 0.816 42.995 42.059 0.199 0.000 1.192 123 L HN 0.324 nan 8.230 nan 0.000 0.425 124 V N 5.391 125.381 119.914 0.127 0.000 2.432 124 V HA 0.738 4.862 4.120 0.007 0.000 0.275 124 V C 0.385 176.501 176.094 0.036 0.000 1.043 124 V CA -0.215 62.114 62.300 0.049 0.000 0.925 124 V CB 0.940 32.766 31.823 0.005 0.000 0.985 124 V HN 0.952 nan 8.190 nan 0.000 0.466 125 A N 5.311 128.133 122.820 0.004 0.000 2.311 125 A HA 0.780 5.104 4.320 0.007 0.000 0.306 125 A C -0.812 176.670 177.584 -0.170 0.000 1.189 125 A CA -0.477 51.508 52.037 -0.087 0.000 0.791 125 A CB 1.305 20.328 19.000 0.038 0.000 1.172 125 A HN 0.614 nan 8.150 nan 0.000 0.481 126 V N 3.452 123.231 119.914 -0.225 0.000 2.398 126 V HA 0.235 4.359 4.120 0.007 0.000 0.286 126 V C 0.345 176.326 176.094 -0.188 0.000 1.026 126 V CA -1.021 61.164 62.300 -0.191 0.000 0.868 126 V CB 1.453 33.155 31.823 -0.202 0.000 0.982 126 V HN 0.905 nan 8.190 nan 0.000 0.443 127 N N 7.533 126.060 118.700 -0.288 0.000 2.440 127 N HA 0.108 4.852 4.740 0.007 0.000 0.265 127 N C -1.322 173.994 175.510 -0.322 0.000 1.239 127 N CA -1.447 51.354 53.050 -0.414 0.000 0.909 127 N CB 1.652 39.686 38.487 -0.754 0.000 1.066 127 N HN 0.360 nan 8.380 nan 0.000 0.474 128 P HA 0.001 nan 4.420 nan 0.000 0.231 128 P C -0.202 177.097 177.300 -0.002 0.000 1.168 128 P CA 0.206 63.235 63.100 -0.118 0.000 0.779 128 P CB -0.039 31.549 31.700 -0.186 0.000 0.844 129 F N 0.267 120.235 119.950 0.030 0.000 3.048 129 F HA -0.262 4.269 4.527 0.007 0.000 0.269 129 F C 0.805 176.603 175.800 -0.003 0.000 0.960 129 F CA 0.929 58.938 58.000 0.016 0.000 0.909 129 F CB -2.282 36.737 39.000 0.032 0.000 0.837 129 F HN 0.238 nan 8.300 nan 0.000 0.768 130 K N -1.856 118.615 120.400 0.117 0.000 2.658 130 K HA 0.674 4.998 4.320 0.007 0.000 0.293 130 K C -0.867 175.747 176.600 0.024 0.000 1.026 130 K CA -1.366 54.957 56.287 0.060 0.000 0.871 130 K CB 1.495 34.013 32.500 0.029 0.000 1.524 130 K HN 0.013 nan 8.250 nan 0.000 0.400 131 R N 0.918 121.426 120.500 0.014 0.000 2.265 131 R HA 0.457 4.802 4.340 0.007 0.000 0.314 131 R C -0.603 175.669 176.300 -0.046 0.000 1.053 131 R CA -0.342 55.763 56.100 0.007 0.000 0.931 131 R CB 0.606 30.916 30.300 0.016 0.000 1.024 131 R HN 0.440 nan 8.270 nan 0.000 0.457 132 I N 5.075 125.601 120.570 -0.074 0.000 2.436 132 I HA 0.278 4.453 4.170 0.007 0.000 0.289 132 I C -1.826 174.113 176.117 -0.298 0.000 1.010 132 I CA -2.267 58.895 61.300 -0.231 0.000 1.098 132 I CB 2.453 40.310 38.000 -0.238 0.000 1.266 132 I HN 0.424 nan 8.210 nan 0.000 0.434 133 P HA 0.177 nan 4.420 nan 0.000 0.218 133 P C 0.400 177.504 177.300 -0.327 0.000 1.793 133 P CA 0.149 63.053 63.100 -0.327 0.000 0.941 133 P CB -0.525 30.992 31.700 -0.304 0.000 1.919 134 I N -4.450 115.865 120.570 -0.425 0.000 3.889 134 I HA 0.291 4.465 4.170 0.007 0.000 0.332 134 I C -0.289 175.638 176.117 -0.316 0.000 1.493 134 I CA -0.464 60.621 61.300 -0.358 0.000 1.158 134 I CB -0.244 37.492 38.000 -0.440 0.000 1.117 134 I HN -0.176 nan 8.210 nan 0.000 0.411 135 Y N 1.075 121.487 120.300 0.187 0.000 2.719 135 Y HA 0.259 4.813 4.550 0.007 0.000 0.251 135 Y C 1.368 177.492 175.900 0.374 0.000 1.159 135 Y CA -0.901 57.395 58.100 0.327 0.000 1.166 135 Y CB -0.237 38.333 38.460 0.182 0.000 1.219 135 Y HN 0.193 nan 8.280 nan 0.000 0.551 136 T N -3.102 111.674 114.554 0.370 0.000 2.766 136 T HA 0.040 4.394 4.350 0.007 0.000 0.295 136 T C 1.330 176.172 174.700 0.237 0.000 1.024 136 T CA -0.295 61.957 62.100 0.254 0.000 1.018 136 T CB 1.177 70.149 68.868 0.173 0.000 1.002 136 T HN 0.172 nan 8.240 nan 0.000 0.532 137 Q N 0.335 120.217 119.800 0.138 0.000 2.135 137 Q HA -0.147 4.197 4.340 0.007 0.000 0.204 137 Q C 1.947 177.994 176.000 0.078 0.000 0.981 137 Q CA 1.965 57.811 55.803 0.072 0.000 0.856 137 Q CB -0.524 28.234 28.738 0.034 0.000 0.902 137 Q HN 0.830 nan 8.270 nan 0.000 0.425 138 E N -0.828 119.433 120.200 0.102 0.000 2.110 138 E HA -0.145 4.209 4.350 0.007 0.000 0.193 138 E C 1.768 178.453 176.600 0.141 0.000 0.988 138 E CA 1.314 57.772 56.400 0.096 0.000 0.804 138 E CB -0.173 29.585 29.700 0.098 0.000 0.745 138 E HN 0.384 nan 8.360 nan 0.000 0.458 139 M N -0.071 119.670 119.600 0.235 0.000 2.132 139 M HA -0.097 4.387 4.480 0.007 0.000 0.263 139 M C 2.231 178.807 176.300 0.459 0.000 1.065 139 M CA 0.909 56.437 55.300 0.381 0.000 1.122 139 M CB -0.652 32.227 32.600 0.465 0.000 1.365 139 M HN 0.043 nan 8.290 nan 0.000 0.411 140 V N 1.187 121.259 119.914 0.262 0.000 2.250 140 V HA -0.319 3.806 4.120 0.007 0.000 0.250 140 V C 1.927 178.077 176.094 0.094 0.000 1.060 140 V CA 2.179 64.451 62.300 -0.047 0.000 1.030 140 V CB -0.901 30.738 31.823 -0.305 0.000 0.643 140 V HN 0.377 nan 8.190 nan 0.000 0.445 141 D N -0.358 120.066 120.400 0.040 0.000 2.178 141 D HA -0.106 4.538 4.640 0.007 0.000 0.201 141 D C 1.990 178.292 176.300 0.003 0.000 0.980 141 D CA 1.170 55.173 54.000 0.004 0.000 0.842 141 D CB -0.229 40.564 40.800 -0.011 0.000 0.948 141 D HN 0.452 nan 8.370 nan 0.000 0.472 142 I N -0.199 120.363 120.570 -0.013 0.000 2.286 142 I HA -0.238 3.936 4.170 0.007 0.000 0.248 142 I C 1.732 177.679 176.117 -0.284 0.000 1.115 142 I CA 0.814 61.979 61.300 -0.225 0.000 1.392 142 I CB -0.176 37.575 38.000 -0.416 0.000 1.065 142 I HN -0.107 nan 8.210 nan 0.000 0.418 143 F N 1.127 121.101 119.950 0.039 0.000 2.558 143 F HA 0.046 4.577 4.527 0.007 0.000 0.298 143 F C 1.141 177.017 175.800 0.126 0.000 1.119 143 F CA 0.258 58.302 58.000 0.074 0.000 1.451 143 F CB -0.337 38.704 39.000 0.068 0.000 1.091 143 F HN -0.191 nan 8.300 nan 0.000 0.563 144 K N 0.871 121.410 120.400 0.231 0.000 2.437 144 K HA 0.154 4.479 4.320 0.007 0.000 0.277 144 K C 1.243 177.912 176.600 0.115 0.000 1.073 144 K CA 0.855 57.244 56.287 0.171 0.000 1.105 144 K CB -0.270 32.259 32.500 0.048 0.000 0.881 144 K HN 0.386 nan 8.250 nan 0.000 0.475 145 G N 2.625 111.512 108.800 0.145 0.000 2.184 145 G HA2 -0.255 3.709 3.960 0.007 0.000 0.264 145 G HA3 -0.255 3.709 3.960 0.007 0.000 0.264 145 G C -0.157 174.783 174.900 0.065 0.000 0.975 145 G CA -0.166 44.987 45.100 0.089 0.000 0.642 145 G HN 0.467 nan 8.290 nan 0.000 0.536 146 R N 0.832 121.378 120.500 0.077 0.000 2.297 146 R HA 0.482 4.826 4.340 0.007 0.000 0.308 146 R C 0.944 177.288 176.300 0.074 0.000 1.029 146 R CA -0.693 55.435 56.100 0.046 0.000 0.929 146 R CB 0.502 30.798 30.300 -0.006 0.000 1.046 146 R HN 0.467 nan 8.270 nan 0.000 0.461 147 R N 1.223 121.753 120.500 0.051 0.000 2.734 147 R HA 0.029 4.374 4.340 0.007 0.000 0.266 147 R C 1.569 177.911 176.300 0.071 0.000 1.044 147 R CA -0.137 55.992 56.100 0.049 0.000 1.128 147 R CB 0.595 30.911 30.300 0.027 0.000 1.010 147 R HN 0.589 nan 8.270 nan 0.000 0.461 148 R N 1.782 122.313 120.500 0.053 0.000 2.117 148 R HA -0.213 4.131 4.340 0.007 0.000 0.243 148 R C 1.125 177.465 176.300 0.066 0.000 1.143 148 R CA 2.335 58.466 56.100 0.051 0.000 0.968 148 R CB -0.147 30.091 30.300 -0.103 0.000 0.863 148 R HN 0.709 nan 8.270 nan 0.000 0.444 149 N N -0.168 118.551 118.700 0.031 0.000 2.398 149 N HA -0.068 4.677 4.740 0.007 0.000 0.188 149 N C 0.253 175.801 175.510 0.064 0.000 1.122 149 N CA 0.616 53.693 53.050 0.044 0.000 0.866 149 N CB 0.328 38.823 38.487 0.014 0.000 0.970 149 N HN 0.471 nan 8.380 nan 0.000 0.462 150 E N -0.412 119.827 120.200 0.065 0.000 2.431 150 E HA 0.104 4.458 4.350 0.007 0.000 0.200 150 E C 0.155 176.780 176.600 0.041 0.000 0.995 150 E CA 0.055 56.483 56.400 0.047 0.000 0.915 150 E CB 0.838 30.549 29.700 0.018 0.000 0.930 150 E HN 0.341 nan 8.360 nan 0.000 0.496 151 V N -2.346 117.627 119.914 0.098 0.000 3.141 151 V HA 0.802 4.926 4.120 0.007 0.000 0.312 151 V C -0.127 176.135 176.094 0.281 0.000 1.157 151 V CA -1.374 61.005 62.300 0.131 0.000 1.041 151 V CB 1.390 33.209 31.823 -0.006 0.000 1.071 151 V HN -0.015 nan 8.190 nan 0.000 0.441 152 A N 1.439 124.464 122.820 0.343 0.000 2.346 152 A HA 0.723 5.047 4.320 0.007 0.000 0.252 152 A C -2.387 175.393 177.584 0.327 0.000 1.089 152 A CA -1.203 50.979 52.037 0.243 0.000 0.797 152 A CB -0.781 18.249 19.000 0.049 0.000 1.047 152 A HN 0.830 nan 8.150 nan 0.000 0.494 153 P HA 0.245 nan 4.420 nan 0.000 0.268 153 P C -0.445 176.781 177.300 -0.124 0.000 1.204 153 P CA 0.786 63.806 63.100 -0.132 0.000 0.768 153 P CB 0.340 31.806 31.700 -0.390 0.000 0.842 154 H N 1.733 120.478 119.070 -0.543 0.000 3.043 154 H HA 0.099 4.659 4.556 0.007 0.000 0.317 154 H C 0.305 175.012 175.328 -1.035 0.000 1.321 154 H CA -0.538 54.865 56.048 -1.075 0.000 1.243 154 H CB 1.210 30.394 29.762 -0.963 0.000 1.924 154 H HN 0.219 nan 8.280 nan 0.000 0.527 155 I N 2.852 122.753 120.570 -1.115 0.000 2.361 155 I HA -0.197 3.977 4.170 0.007 0.000 0.251 155 I C 1.366 177.367 176.117 -0.194 0.000 1.133 155 I CA 1.372 62.407 61.300 -0.441 0.000 1.413 155 I CB -0.391 37.447 38.000 -0.272 0.000 1.073 155 I HN 0.410 nan 8.210 nan 0.000 0.424 156 F N 0.852 120.619 119.950 -0.305 0.000 2.234 156 F HA -0.039 4.492 4.527 0.007 0.000 0.299 156 F C 2.527 177.797 175.800 -0.885 0.000 1.087 156 F CA 0.736 58.189 58.000 -0.912 0.000 1.340 156 F CB -1.710 36.506 39.000 -1.307 0.000 1.031 156 F HN 0.177 nan 8.300 nan 0.000 0.500 157 A N -0.140 122.432 122.820 -0.412 0.000 1.930 157 A HA -0.049 4.276 4.320 0.007 0.000 0.215 157 A C 2.266 179.837 177.584 -0.022 0.000 1.176 157 A CA 0.877 52.892 52.037 -0.036 0.000 0.632 157 A CB -0.939 18.208 19.000 0.246 0.000 0.819 157 A HN 0.337 nan 8.150 nan 0.000 0.445 158 I N -0.232 120.320 120.570 -0.031 0.000 2.315 158 I HA -0.199 3.976 4.170 0.007 0.000 0.248 158 I C 2.339 178.363 176.117 -0.155 0.000 1.117 158 I CA 1.516 62.803 61.300 -0.023 0.000 1.404 158 I CB 0.041 38.085 38.000 0.074 0.000 1.071 158 I HN 0.261 nan 8.210 nan 0.000 0.419 159 S N 0.164 115.762 115.700 -0.170 0.000 2.370 159 S HA -0.278 4.196 4.470 0.007 0.000 0.226 159 S C 1.601 176.162 174.600 -0.065 0.000 1.033 159 S CA 2.002 60.118 58.200 -0.140 0.000 1.011 159 S CB -0.452 62.633 63.200 -0.192 0.000 0.852 159 S HN 0.590 nan 8.310 nan 0.000 0.457 160 D N 0.535 120.855 120.400 -0.134 0.000 2.123 160 D HA -0.047 4.597 4.640 0.007 0.000 0.200 160 D C 1.817 178.173 176.300 0.094 0.000 0.976 160 D CA 0.684 54.764 54.000 0.134 0.000 0.831 160 D CB 0.008 40.914 40.800 0.178 0.000 0.974 160 D HN 0.115 nan 8.370 nan 0.000 0.469 161 V N 0.705 120.622 119.914 0.005 0.000 2.332 161 V HA -0.249 3.876 4.120 0.007 0.000 0.248 161 V C 2.437 178.488 176.094 -0.071 0.000 1.055 161 V CA 1.806 64.098 62.300 -0.012 0.000 1.038 161 V CB -0.788 31.034 31.823 -0.002 0.000 0.651 161 V HN 0.321 nan 8.190 nan 0.000 0.450 162 A N -0.901 121.781 122.820 -0.230 0.000 1.877 162 A HA -0.267 4.057 4.320 0.007 0.000 0.216 162 A C 2.174 179.719 177.584 -0.066 0.000 1.186 162 A CA 2.072 53.969 52.037 -0.234 0.000 0.620 162 A CB -0.838 17.935 19.000 -0.378 0.000 0.822 162 A HN 0.594 nan 8.150 nan 0.000 0.443 163 Y N 0.941 121.155 120.300 -0.143 0.000 2.128 163 Y HA -0.252 4.302 4.550 0.007 0.000 0.284 163 Y C 2.498 178.284 175.900 -0.190 0.000 1.154 163 Y CA 2.214 60.200 58.100 -0.191 0.000 1.149 163 Y CB -0.190 38.221 38.460 -0.082 0.000 0.976 163 Y HN 0.204 nan 8.280 nan 0.000 0.505 164 R N -0.305 120.086 120.500 -0.181 0.000 2.096 164 R HA -0.106 4.238 4.340 0.007 0.000 0.235 164 R C 2.416 178.578 176.300 -0.230 0.000 1.127 164 R CA 1.327 57.285 56.100 -0.237 0.000 0.968 164 R CB -1.290 28.962 30.300 -0.081 0.000 0.861 164 R HN 0.312 nan 8.270 nan 0.000 0.440 165 S N 1.344 116.956 115.700 -0.146 0.000 2.383 165 S HA -0.086 4.388 4.470 0.007 0.000 0.227 165 S C 1.862 176.340 174.600 -0.204 0.000 1.026 165 S CA 1.120 59.253 58.200 -0.113 0.000 0.981 165 S CB -0.153 63.051 63.200 0.006 0.000 0.818 165 S HN 0.299 nan 8.310 nan 0.000 0.472 166 M N 1.090 120.522 119.600 -0.280 0.000 2.065 166 M HA -0.107 4.377 4.480 0.007 0.000 0.259 166 M C 1.747 177.726 176.300 -0.535 0.000 1.069 166 M CA 1.611 56.671 55.300 -0.399 0.000 1.110 166 M CB -0.290 32.031 32.600 -0.465 0.000 1.328 166 M HN 0.272 nan 8.290 nan 0.000 0.405 167 L N -0.253 120.627 121.223 -0.570 0.000 2.093 167 L HA -0.214 4.130 4.340 0.007 0.000 0.208 167 L C 1.857 178.505 176.870 -0.370 0.000 1.085 167 L CA 0.997 55.517 54.840 -0.534 0.000 0.755 167 L CB -0.786 40.927 42.059 -0.576 0.000 0.904 167 L HN 0.305 nan 8.230 nan 0.000 0.435 168 D N -0.469 119.757 120.400 -0.290 0.000 2.162 168 D HA -0.108 4.536 4.640 0.007 0.000 0.205 168 D C 1.574 177.770 176.300 -0.172 0.000 0.964 168 D CA 0.976 54.858 54.000 -0.196 0.000 0.847 168 D CB -0.021 40.693 40.800 -0.144 0.000 0.988 168 D HN 0.227 nan 8.370 nan 0.000 0.480 169 D N 0.147 120.438 120.400 -0.181 0.000 2.346 169 D HA 0.016 4.660 4.640 0.007 0.000 0.206 169 D C 0.087 176.292 176.300 -0.159 0.000 1.001 169 D CA 0.140 54.062 54.000 -0.131 0.000 0.871 169 D CB 0.421 41.162 40.800 -0.097 0.000 0.943 169 D HN -0.059 nan 8.370 nan 0.000 0.518 170 R N 0.811 121.136 120.500 -0.292 0.000 3.201 170 R HA -0.201 4.143 4.340 0.007 0.000 0.254 170 R C -0.120 176.061 176.300 -0.198 0.000 0.978 170 R CA 0.304 56.148 56.100 -0.426 0.000 0.661 170 R CB -3.022 27.165 30.300 -0.188 0.000 1.170 170 R HN 0.431 nan 8.270 nan 0.000 0.430 171 Q N 0.551 120.216 119.800 -0.224 0.000 2.315 171 Q HA 0.352 4.696 4.340 0.007 0.000 0.273 171 Q C -0.723 175.216 176.000 -0.102 0.000 1.053 171 Q CA -0.792 54.976 55.803 -0.058 0.000 0.817 171 Q CB 1.644 30.351 28.738 -0.052 0.000 1.326 171 Q HN 0.184 nan 8.270 nan 0.000 0.423 172 N N 2.364 120.998 118.700 -0.109 0.000 2.415 172 N HA 0.127 4.871 4.740 0.007 0.000 0.248 172 N C -0.694 174.654 175.510 -0.270 0.000 1.271 172 N CA 0.297 53.120 53.050 -0.378 0.000 0.913 172 N CB 0.715 38.684 38.487 -0.864 0.000 1.129 172 N HN 0.536 nan 8.380 nan 0.000 0.444 173 Q N -0.197 119.452 119.800 -0.251 0.000 2.458 173 Q HA 0.562 4.907 4.340 0.007 0.000 0.282 173 Q C -0.727 175.333 176.000 0.100 0.000 1.106 173 Q CA -0.773 55.028 55.803 -0.004 0.000 0.814 173 Q CB 2.084 30.872 28.738 0.084 0.000 1.425 173 Q HN 0.732 nan 8.270 nan 0.000 0.437 174 S N 0.123 115.940 115.700 0.195 0.000 2.546 174 S HA 0.767 5.242 4.470 0.007 0.000 0.274 174 S C -1.139 173.585 174.600 0.208 0.000 1.121 174 S CA -0.746 57.608 58.200 0.256 0.000 0.887 174 S CB 1.220 64.593 63.200 0.288 0.000 1.094 174 S HN 0.323 nan 8.310 nan 0.000 0.474 175 L N 2.044 123.381 121.223 0.190 0.000 2.343 175 L HA 0.555 4.900 4.340 0.007 0.000 0.278 175 L C -1.381 175.557 176.870 0.115 0.000 0.996 175 L CA -0.355 54.566 54.840 0.135 0.000 0.831 175 L CB 1.467 43.605 42.059 0.130 0.000 1.232 175 L HN 0.679 nan 8.230 nan 0.000 0.413 176 L N 5.623 126.866 121.223 0.032 0.000 2.262 176 L HA 0.500 4.844 4.340 0.007 0.000 0.288 176 L C -0.378 176.575 176.870 0.140 0.000 1.035 176 L CA 0.160 55.048 54.840 0.080 0.000 0.820 176 L CB 0.858 42.936 42.059 0.031 0.000 1.204 176 L HN 0.389 nan 8.230 nan 0.000 0.424 177 I N 3.387 124.034 120.570 0.128 0.000 2.390 177 I HA 0.472 4.646 4.170 0.007 0.000 0.283 177 I C 0.135 176.305 176.117 0.089 0.000 1.016 177 I CA -0.213 61.157 61.300 0.117 0.000 1.151 177 I CB 1.264 39.324 38.000 0.099 0.000 1.293 177 I HN 0.654 nan 8.210 nan 0.000 0.458 178 T N 1.714 116.319 114.554 0.085 0.000 2.864 178 T HA 0.986 5.340 4.350 0.007 0.000 0.289 178 T C -0.147 174.571 174.700 0.031 0.000 1.082 178 T CA -0.737 61.392 62.100 0.048 0.000 1.009 178 T CB 2.514 71.405 68.868 0.038 0.000 1.234 178 T HN 0.936 nan 8.240 nan 0.000 0.526 179 G N -0.097 108.716 108.800 0.021 0.000 2.359 179 G HA2 0.284 4.248 3.960 0.007 0.000 0.314 179 G HA3 0.284 4.248 3.960 0.007 0.000 0.314 179 G C -1.274 173.648 174.900 0.038 0.000 1.364 179 G CA -0.987 44.125 45.100 0.021 0.000 0.978 179 G HN 0.898 nan 8.290 nan 0.000 0.615 180 E N -0.199 120.030 120.200 0.048 0.000 2.425 180 E HA 0.334 4.688 4.350 0.007 0.000 0.258 180 E C 0.726 177.374 176.600 0.079 0.000 1.151 180 E CA 0.326 56.775 56.400 0.081 0.000 0.958 180 E CB 0.754 30.502 29.700 0.081 0.000 0.968 180 E HN 0.510 nan 8.360 nan 0.000 0.451 181 S N 0.049 115.810 115.700 0.101 0.000 2.537 181 S HA 0.237 4.712 4.470 0.007 0.000 0.286 181 S C 0.960 175.614 174.600 0.090 0.000 1.299 181 S CA 0.746 58.996 58.200 0.084 0.000 1.067 181 S CB -0.073 63.171 63.200 0.073 0.000 0.864 181 S HN 0.747 nan 8.310 nan 0.000 0.494 182 G N 3.324 112.181 108.800 0.096 0.000 2.175 182 G HA2 -0.244 3.720 3.960 0.007 0.000 0.244 182 G HA3 -0.244 3.720 3.960 0.007 0.000 0.244 182 G C 0.928 175.902 174.900 0.124 0.000 0.982 182 G CA 0.305 45.502 45.100 0.163 0.000 0.641 182 G HN 1.425 nan 8.290 nan 0.000 0.527 183 A N -0.068 122.780 122.820 0.046 0.000 2.119 183 A HA 0.496 4.821 4.320 0.007 0.000 0.217 183 A C 2.646 180.187 177.584 -0.071 0.000 1.153 183 A CA 2.315 54.331 52.037 -0.034 0.000 0.692 183 A CB -0.457 18.532 19.000 -0.019 0.000 0.799 183 A HN 2.523 nan 8.150 nan 0.000 0.458 184 G N -1.193 107.590 108.800 -0.027 0.000 2.154 184 G HA2 -0.209 3.755 3.960 0.007 0.000 0.186 184 G HA3 -0.209 3.755 3.960 0.007 0.000 0.186 184 G C 0.808 175.699 174.900 -0.014 0.000 1.000 184 G CA 0.521 45.599 45.100 -0.037 0.000 0.664 184 G HN 0.474 nan 8.290 nan 0.000 0.513 185 K N -0.159 120.244 120.400 0.004 0.000 2.026 185 K HA -0.059 4.265 4.320 0.007 0.000 0.208 185 K C 2.529 179.139 176.600 0.016 0.000 1.048 185 K CA 1.862 58.160 56.287 0.018 0.000 0.929 185 K CB -0.311 32.202 32.500 0.022 0.000 0.713 185 K HN 0.318 nan 8.250 nan 0.000 0.439 186 T N 1.433 115.993 114.554 0.011 0.000 2.777 186 T HA -0.102 4.252 4.350 0.007 0.000 0.266 186 T C 1.657 176.362 174.700 0.008 0.000 1.040 186 T CA 1.084 63.193 62.100 0.015 0.000 1.141 186 T CB -0.074 68.806 68.868 0.020 0.000 0.868 186 T HN 0.192 nan 8.240 nan 0.000 0.444 187 E N 1.446 121.638 120.200 -0.013 0.000 2.077 187 E HA -0.074 4.280 4.350 0.007 0.000 0.193 187 E C 2.272 178.823 176.600 -0.083 0.000 0.989 187 E CA 0.740 57.104 56.400 -0.060 0.000 0.800 187 E CB -0.393 29.251 29.700 -0.094 0.000 0.746 187 E HN 0.475 nan 8.360 nan 0.000 0.452 188 N N 0.308 118.981 118.700 -0.045 0.000 2.166 188 N HA -0.101 4.644 4.740 0.007 0.000 0.186 188 N C 1.818 177.342 175.510 0.024 0.000 1.019 188 N CA 1.357 54.399 53.050 -0.012 0.000 0.856 188 N CB -0.231 38.283 38.487 0.046 0.000 0.993 188 N HN 0.137 nan 8.380 nan 0.000 0.426 189 T N 1.667 116.241 114.554 0.033 0.000 2.684 189 T HA -0.111 4.243 4.350 0.007 0.000 0.267 189 T C 1.883 176.616 174.700 0.056 0.000 1.036 189 T CA 1.201 63.333 62.100 0.052 0.000 1.148 189 T CB -0.065 68.833 68.868 0.050 0.000 0.863 189 T HN 0.293 nan 8.240 nan 0.000 0.436 190 K N 0.559 120.981 120.400 0.036 0.000 2.147 190 K HA -0.051 4.273 4.320 0.007 0.000 0.205 190 K C 2.405 179.047 176.600 0.069 0.000 1.049 190 K CA 0.832 57.144 56.287 0.042 0.000 0.936 190 K CB 0.042 32.552 32.500 0.017 0.000 0.722 190 K HN 0.119 nan 8.250 nan 0.000 0.446 191 K N 0.538 120.974 120.400 0.061 0.000 2.103 191 K HA -0.051 4.273 4.320 0.007 0.000 0.204 191 K C 2.142 178.943 176.600 0.335 0.000 1.052 191 K CA 0.810 57.223 56.287 0.209 0.000 0.945 191 K CB -0.452 32.100 32.500 0.085 0.000 0.722 191 K HN -0.018 nan 8.250 nan 0.000 0.443 192 V N 2.112 122.153 119.914 0.213 0.000 2.287 192 V HA -0.239 3.885 4.120 0.007 0.000 0.248 192 V C 2.382 178.594 176.094 0.196 0.000 1.053 192 V CA 1.613 64.039 62.300 0.209 0.000 1.027 192 V CB -0.458 31.445 31.823 0.134 0.000 0.646 192 V HN 0.180 nan 8.190 nan 0.000 0.447 193 I N -0.307 120.343 120.570 0.134 0.000 2.226 193 I HA -0.305 3.869 4.170 0.007 0.000 0.245 193 I C 2.679 178.841 176.117 0.075 0.000 1.100 193 I CA 1.855 63.209 61.300 0.089 0.000 1.374 193 I CB -0.495 37.539 38.000 0.056 0.000 1.057 193 I HN 0.407 nan 8.210 nan 0.000 0.413 194 Q N 0.544 120.406 119.800 0.103 0.000 2.077 194 Q HA -0.296 4.048 4.340 0.007 0.000 0.206 194 Q C 2.365 178.368 176.000 0.005 0.000 0.989 194 Q CA 2.176 58.023 55.803 0.073 0.000 0.853 194 Q CB -0.304 28.520 28.738 0.144 0.000 0.907 194 Q HN 0.547 nan 8.270 nan 0.000 0.418 195 Y N 0.812 121.065 120.300 -0.077 0.000 2.133 195 Y HA -0.195 4.359 4.550 0.007 0.000 0.287 195 Y C 2.029 177.819 175.900 -0.182 0.000 1.134 195 Y CA 1.745 59.691 58.100 -0.257 0.000 1.133 195 Y CB -0.308 38.011 38.460 -0.236 0.000 0.987 195 Y HN 0.095 nan 8.280 nan 0.000 0.502 196 L N -0.363 120.867 121.223 0.013 0.000 2.042 196 L HA -0.249 4.095 4.340 0.007 0.000 0.210 196 L C 2.744 179.537 176.870 -0.129 0.000 1.076 196 L CA 1.195 55.999 54.840 -0.060 0.000 0.749 196 L CB -1.065 41.088 42.059 0.158 0.000 0.893 196 L HN 0.325 nan 8.230 nan 0.000 0.432 197 A N -0.923 121.842 122.820 -0.092 0.000 1.978 197 A HA -0.238 4.086 4.320 0.007 0.000 0.220 197 A C 2.553 180.061 177.584 -0.126 0.000 1.170 197 A CA 2.188 54.172 52.037 -0.089 0.000 0.636 197 A CB -0.537 18.426 19.000 -0.061 0.000 0.810 197 A HN 0.408 nan 8.150 nan 0.000 0.448 198 S N -0.532 115.040 115.700 -0.214 0.000 2.356 198 S HA -0.095 4.379 4.470 0.007 0.000 0.219 198 S C 2.016 176.441 174.600 -0.290 0.000 1.036 198 S CA 1.580 59.631 58.200 -0.247 0.000 0.965 198 S CB -0.714 62.299 63.200 -0.311 0.000 0.864 198 S HN 0.941 nan 8.310 nan 0.000 0.471 199 V N -0.318 119.309 119.914 -0.479 0.000 2.809 199 V HA 0.370 4.494 4.120 0.007 0.000 0.256 199 V C 1.788 177.729 176.094 -0.254 0.000 1.080 199 V CA 1.513 63.557 62.300 -0.427 0.000 1.102 199 V CB -0.776 30.672 31.823 -0.624 0.000 0.705 199 V HN 0.535 nan 8.190 nan 0.000 0.475 200 A N -0.143 122.563 122.820 -0.190 0.000 2.508 200 A HA 0.706 5.031 4.320 0.007 0.000 0.250 200 A C 1.212 178.934 177.584 0.231 0.000 1.208 200 A CA 0.417 52.498 52.037 0.073 0.000 0.960 200 A CB -0.257 18.837 19.000 0.156 0.000 1.099 200 A HN 0.716 nan 8.150 nan 0.000 0.542 201 G N -0.894 107.952 108.800 0.078 0.000 2.528 201 G HA2 0.535 4.499 3.960 0.007 0.000 0.289 201 G HA3 0.535 4.499 3.960 0.007 0.000 0.289 201 G C 0.030 174.941 174.900 0.018 0.000 1.192 201 G CA 0.347 45.473 45.100 0.044 0.000 0.921 201 G HN 1.052 nan 8.290 nan 0.000 0.512 210 V N -0.282 119.607 119.914 -0.042 0.000 2.453 210 V HA 0.033 4.158 4.120 0.007 0.000 0.247 210 V C 2.432 178.500 176.094 -0.044 0.000 1.048 210 V CA 2.303 64.580 62.300 -0.039 0.000 1.049 210 V CB -0.603 31.197 31.823 -0.038 0.000 0.672 210 V HN 0.880 nan 8.190 nan 0.000 0.457 211 L N 1.187 122.380 121.223 -0.050 0.000 2.017 211 L HA -0.079 4.265 4.340 0.007 0.000 0.208 211 L C 2.436 179.272 176.870 -0.057 0.000 1.073 211 L CA 2.366 57.172 54.840 -0.057 0.000 0.745 211 L CB -0.842 41.181 42.059 -0.061 0.000 0.894 211 L HN 0.371 nan 8.230 nan 0.000 0.432 212 E N -0.583 119.585 120.200 -0.053 0.000 2.085 212 E HA -0.285 4.069 4.350 0.007 0.000 0.194 212 E C 2.227 178.804 176.600 -0.039 0.000 0.994 212 E CA 1.500 57.869 56.400 -0.051 0.000 0.801 212 E CB -0.286 29.386 29.700 -0.047 0.000 0.743 212 E HN 0.498 nan 8.360 nan 0.000 0.453 213 Q N 0.503 120.283 119.800 -0.033 0.000 2.084 213 Q HA -0.162 4.182 4.340 0.007 0.000 0.202 213 Q C 1.960 177.949 176.000 -0.018 0.000 0.978 213 Q CA 1.654 57.444 55.803 -0.021 0.000 0.844 213 Q CB 0.008 28.734 28.738 -0.019 0.000 0.898 213 Q HN 0.373 nan 8.270 nan 0.000 0.426 214 Q N -0.593 119.190 119.800 -0.029 0.000 2.079 214 Q HA -0.119 4.225 4.340 0.007 0.000 0.200 214 Q C 2.094 178.076 176.000 -0.030 0.000 0.974 214 Q CA 1.386 57.172 55.803 -0.030 0.000 0.840 214 Q CB -0.121 28.588 28.738 -0.049 0.000 0.898 214 Q HN 0.429 nan 8.270 nan 0.000 0.430 215 I N 0.665 121.210 120.570 -0.042 0.000 2.179 215 I HA -0.300 3.875 4.170 0.007 0.000 0.242 215 I C 2.113 178.219 176.117 -0.018 0.000 1.088 215 I CA 1.158 62.432 61.300 -0.044 0.000 1.357 215 I CB -0.210 37.753 38.000 -0.062 0.000 1.051 215 I HN 0.207 nan 8.210 nan 0.000 0.409 216 L N -0.148 121.069 121.223 -0.011 0.000 2.141 216 L HA -0.196 4.148 4.340 0.007 0.000 0.209 216 L C 2.400 179.283 176.870 0.021 0.000 1.094 216 L CA 0.962 55.807 54.840 0.008 0.000 0.763 216 L CB -0.495 41.569 42.059 0.007 0.000 0.908 216 L HN 0.331 nan 8.230 nan 0.000 0.437 217 Q N -0.472 119.339 119.800 0.018 0.000 2.424 217 Q HA 0.082 4.427 4.340 0.007 0.000 0.204 217 Q C 2.340 178.366 176.000 0.043 0.000 0.933 217 Q CA 0.886 56.708 55.803 0.033 0.000 0.929 217 Q CB 0.067 28.824 28.738 0.031 0.000 1.037 217 Q HN 0.455 nan 8.270 nan 0.000 0.511 218 A N 1.836 124.674 122.820 0.029 0.000 1.948 218 A HA -0.244 4.080 4.320 0.007 0.000 0.220 218 A C 2.001 179.620 177.584 0.058 0.000 1.177 218 A CA 1.705 53.759 52.037 0.028 0.000 0.636 218 A CB -0.626 18.372 19.000 -0.003 0.000 0.815 218 A HN 0.410 nan 8.150 nan 0.000 0.449 219 N N -0.321 118.423 118.700 0.075 0.000 2.106 219 N HA -0.092 4.652 4.740 0.007 0.000 0.188 219 N C -0.916 174.683 175.510 0.149 0.000 1.029 219 N CA 1.531 54.651 53.050 0.117 0.000 0.848 219 N CB -0.543 38.008 38.487 0.106 0.000 1.007 219 N HN 0.282 nan 8.380 nan 0.000 0.423 220 P HA -0.063 nan 4.420 nan 0.000 0.220 220 P C 1.645 179.049 177.300 0.173 0.000 1.148 220 P CA 0.853 64.038 63.100 0.141 0.000 0.803 220 P CB -0.021 31.738 31.700 0.100 0.000 0.782 221 I N -0.635 120.021 120.570 0.145 0.000 2.163 221 I HA -0.201 3.973 4.170 0.007 0.000 0.240 221 I C 2.574 178.849 176.117 0.264 0.000 1.081 221 I CA 1.288 62.691 61.300 0.172 0.000 1.353 221 I CB -0.664 37.357 38.000 0.035 0.000 1.054 221 I HN -0.157 nan 8.210 nan 0.000 0.407 222 L N 0.228 121.552 121.223 0.167 0.000 2.141 222 L HA -0.164 4.180 4.340 0.007 0.000 0.209 222 L C 2.471 179.599 176.870 0.431 0.000 1.094 222 L CA 1.303 56.248 54.840 0.174 0.000 0.763 222 L CB -0.633 41.471 42.059 0.075 0.000 0.908 222 L HN 0.318 nan 8.230 nan 0.000 0.437 223 E N 0.417 120.869 120.200 0.421 0.000 2.110 223 E HA -0.200 4.154 4.350 0.007 0.000 0.193 223 E C 2.315 179.173 176.600 0.430 0.000 0.988 223 E CA 1.102 57.773 56.400 0.452 0.000 0.804 223 E CB -0.093 29.820 29.700 0.354 0.000 0.745 223 E HN 0.487 nan 8.360 nan 0.000 0.458 224 A N 0.729 123.753 122.820 0.340 0.000 1.908 224 A HA -0.163 4.161 4.320 0.007 0.000 0.218 224 A C 1.792 179.398 177.584 0.037 0.000 1.181 224 A CA 1.279 53.429 52.037 0.190 0.000 0.627 224 A CB -0.587 18.422 19.000 0.015 0.000 0.818 224 A HN 0.181 nan 8.150 nan 0.000 0.445 225 F N -1.040 119.051 119.950 0.235 0.000 2.569 225 F HA 0.231 4.762 4.527 0.007 0.000 0.295 225 F C 2.235 178.085 175.800 0.084 0.000 1.115 225 F CA 0.865 58.976 58.000 0.185 0.000 1.450 225 F CB 0.170 39.241 39.000 0.119 0.000 1.107 225 F HN 0.299 nan 8.300 nan 0.000 0.563 226 G N -1.357 107.675 108.800 0.386 0.000 3.274 226 G HA2 0.129 4.093 3.960 0.007 0.000 0.250 226 G HA3 0.129 4.093 3.960 0.007 0.000 0.250 226 G C -0.117 175.178 174.900 0.659 0.000 1.024 226 G CA -0.109 45.155 45.100 0.273 0.000 0.840 226 G HN 0.039 nan 8.290 nan 0.000 0.522 227 N N 0.244 119.233 118.700 0.481 0.000 2.362 227 N HA 0.823 5.568 4.740 0.007 0.000 0.299 227 N C -0.547 174.788 175.510 -0.293 0.000 1.170 227 N CA -0.108 53.058 53.050 0.193 0.000 0.825 227 N CB 2.175 40.785 38.487 0.205 0.000 1.299 227 N HN 0.220 nan 8.380 nan 0.000 0.502 228 A N -0.041 122.565 122.820 -0.357 0.000 2.612 228 A HA 0.440 4.764 4.320 0.007 0.000 0.293 228 A C -1.183 176.324 177.584 -0.128 0.000 1.075 228 A CA -0.782 51.012 52.037 -0.405 0.000 0.680 228 A CB 1.171 19.925 19.000 -0.411 0.000 1.279 228 A HN 0.502 nan 8.150 nan 0.000 0.411 229 K N 1.449 121.833 120.400 -0.027 0.000 2.349 229 K HA 0.421 4.745 4.320 0.007 0.000 0.288 229 K C 0.111 176.663 176.600 -0.080 0.000 1.058 229 K CA 0.706 56.986 56.287 -0.011 0.000 0.953 229 K CB 0.268 32.750 32.500 -0.030 0.000 0.997 229 K HN 0.924 nan 8.250 nan 0.000 0.477 230 T N -0.315 114.199 114.554 -0.066 0.000 2.905 230 T HA 0.160 4.514 4.350 0.007 0.000 0.283 230 T C 1.359 176.012 174.700 -0.078 0.000 1.031 230 T CA -0.301 61.748 62.100 -0.085 0.000 1.002 230 T CB 1.240 70.060 68.868 -0.081 0.000 1.200 230 T HN 0.580 nan 8.240 nan 0.000 0.560 231 T N -1.376 113.125 114.554 -0.089 0.000 3.035 231 T HA 0.023 4.377 4.350 0.007 0.000 0.268 231 T C 1.567 176.220 174.700 -0.078 0.000 1.109 231 T CA 0.435 62.485 62.100 -0.084 0.000 1.119 231 T CB -0.309 68.506 68.868 -0.088 0.000 0.900 231 T HN 0.662 nan 8.240 nan 0.000 0.503 232 R N 0.607 121.065 120.500 -0.069 0.000 2.308 232 R HA 0.345 4.690 4.340 0.007 0.000 0.202 232 R C 0.087 176.377 176.300 -0.017 0.000 0.898 232 R CA -0.017 56.055 56.100 -0.045 0.000 1.046 232 R CB 0.265 30.543 30.300 -0.038 0.000 1.026 232 R HN 0.240 nan 8.270 nan 0.000 0.512 233 N N -0.198 118.493 118.700 -0.015 0.000 2.600 233 N HA 0.091 4.835 4.740 0.007 0.000 0.272 233 N C -0.933 174.587 175.510 0.016 0.000 1.095 233 N CA -0.329 52.732 53.050 0.019 0.000 0.993 233 N CB 1.078 39.593 38.487 0.048 0.000 1.603 233 N HN -0.104 nan 8.380 nan 0.000 0.526 234 N N 1.345 120.057 118.700 0.020 0.000 2.381 234 N HA -0.103 4.642 4.740 0.007 0.000 0.182 234 N C -0.187 175.393 175.510 0.116 0.000 1.025 234 N CA 0.579 53.649 53.050 0.033 0.000 0.888 234 N CB 0.102 38.593 38.487 0.006 0.000 0.965 234 N HN 0.360 nan 8.380 nan 0.000 0.438 235 N N 0.441 119.218 118.700 0.128 0.000 2.679 235 N HA 0.223 4.967 4.740 0.007 0.000 0.302 235 N C -1.416 174.186 175.510 0.153 0.000 1.941 235 N CA -0.282 52.899 53.050 0.219 0.000 0.875 235 N CB 0.388 38.988 38.487 0.189 0.000 1.278 235 N HN 0.027 nan 8.380 nan 0.000 0.490 236 A N 0.299 123.176 122.820 0.095 0.000 2.450 236 A HA 0.413 4.737 4.320 0.007 0.000 0.255 236 A C 0.291 177.919 177.584 0.074 0.000 1.096 236 A CA -0.153 51.920 52.037 0.060 0.000 0.778 236 A CB 0.145 19.158 19.000 0.022 0.000 1.031 236 A HN 0.408 nan 8.150 nan 0.000 0.494 237 S N 2.534 118.262 115.700 0.048 0.000 2.455 237 S HA 0.198 4.672 4.470 0.007 0.000 0.278 237 S C 0.744 175.374 174.600 0.051 0.000 1.216 237 S CA -0.410 57.790 58.200 0.000 0.000 1.055 237 S CB 0.323 63.409 63.200 -0.189 0.000 0.939 237 S HN 0.612 nan 8.310 nan 0.000 0.494 238 R N 2.335 122.973 120.500 0.230 0.000 2.609 238 R HA 0.223 4.567 4.340 0.007 0.000 0.326 238 R C -0.702 175.802 176.300 0.340 0.000 1.090 238 R CA 0.011 56.266 56.100 0.258 0.000 1.072 238 R CB -0.499 29.991 30.300 0.317 0.000 1.330 238 R HN 0.659 nan 8.270 nan 0.000 0.572 239 F N -3.121 116.897 119.950 0.114 0.000 2.631 239 F HA 0.725 5.257 4.527 0.008 0.000 0.308 239 F C -0.118 175.790 175.800 0.179 0.000 1.097 239 F CA -1.773 56.292 58.000 0.110 0.000 0.952 239 F CB 0.624 39.636 39.000 0.019 0.000 1.307 239 F HN -0.111 nan 8.300 nan 0.000 0.450 240 G N 1.366 110.297 108.800 0.219 0.000 2.451 240 G HA2 0.615 4.580 3.960 0.007 0.000 0.303 240 G HA3 0.615 4.580 3.960 0.007 0.000 0.303 240 G C -1.589 173.528 174.900 0.363 0.000 1.166 240 G CA -0.993 44.216 45.100 0.181 0.000 0.884 240 G HN 1.042 nan 8.290 nan 0.000 0.514 241 K N -0.692 119.882 120.400 0.290 0.000 2.508 241 K HA 0.647 4.971 4.320 0.007 0.000 0.260 241 K C -2.167 174.686 176.600 0.422 0.000 0.949 241 K CA -1.000 55.506 56.287 0.365 0.000 0.834 241 K CB 2.368 35.057 32.500 0.315 0.000 1.365 241 K HN 0.307 nan 8.250 nan 0.000 0.437 242 F N 3.123 123.213 119.950 0.233 0.000 2.496 242 F HA 0.500 5.031 4.527 0.007 0.000 0.341 242 F C -1.379 174.472 175.800 0.085 0.000 1.134 242 F CA -1.158 56.942 58.000 0.167 0.000 0.968 242 F CB 0.943 40.069 39.000 0.209 0.000 1.205 242 F HN 0.483 nan 8.300 nan 0.000 0.436 243 I N 5.199 125.544 120.570 -0.375 0.000 2.339 243 I HA 0.260 4.435 4.170 0.007 0.000 0.290 243 I C -0.311 175.484 176.117 -0.536 0.000 0.994 243 I CA -0.482 60.624 61.300 -0.324 0.000 1.191 243 I CB 1.560 39.480 38.000 -0.133 0.000 1.343 243 I HN 0.538 nan 8.210 nan 0.000 0.458 244 E N 6.998 126.940 120.200 -0.429 0.000 2.081 244 E HA 0.308 4.663 4.350 0.007 0.000 0.281 244 E C -0.897 175.634 176.600 -0.115 0.000 0.986 244 E CA -0.761 55.454 56.400 -0.308 0.000 0.796 244 E CB 0.867 30.333 29.700 -0.391 0.000 1.085 244 E HN 0.364 nan 8.360 nan 0.000 0.398 245 I N 4.673 125.245 120.570 0.004 0.000 2.312 245 I HA 0.117 4.291 4.170 0.007 0.000 0.291 245 I C 0.266 176.333 176.117 -0.083 0.000 1.031 245 I CA -0.144 61.113 61.300 -0.071 0.000 1.293 245 I CB 0.985 38.969 38.000 -0.026 0.000 1.403 245 I HN 0.555 nan 8.210 nan 0.000 0.484 246 Q N 5.564 125.227 119.800 -0.229 0.000 2.230 246 Q HA 0.623 4.967 4.340 0.007 0.000 0.253 246 Q C -1.396 174.398 176.000 -0.343 0.000 0.919 246 Q CA -0.396 55.362 55.803 -0.074 0.000 0.908 246 Q CB 2.012 30.740 28.738 -0.017 0.000 1.245 246 Q HN 0.352 nan 8.270 nan 0.000 0.437 247 F N 1.064 121.122 119.950 0.180 0.000 2.563 247 F HA 0.309 4.840 4.527 0.007 0.000 0.316 247 F C 0.324 176.227 175.800 0.171 0.000 1.076 247 F CA -1.218 56.892 58.000 0.184 0.000 0.921 247 F CB 1.196 40.325 39.000 0.214 0.000 1.209 247 F HN 0.567 nan 8.300 nan 0.000 0.462 248 N N -0.740 118.165 118.700 0.341 0.000 2.364 248 N HA 0.158 4.902 4.740 0.007 0.000 0.264 248 N C 0.668 176.349 175.510 0.285 0.000 1.263 248 N CA -0.119 53.084 53.050 0.256 0.000 0.959 248 N CB 0.237 38.852 38.487 0.213 0.000 1.204 248 N HN 0.524 nan 8.380 nan 0.000 0.550 249 S N -2.777 113.059 115.700 0.226 0.000 2.522 249 S HA 0.071 4.545 4.470 0.007 0.000 0.227 249 S C 1.435 176.097 174.600 0.104 0.000 0.986 249 S CA 0.160 58.514 58.200 0.255 0.000 0.929 249 S CB -0.686 62.653 63.200 0.232 0.000 0.769 249 S HN 0.762 nan 8.310 nan 0.000 0.529 250 A N 0.901 123.767 122.820 0.077 0.000 2.238 250 A HA 0.567 4.892 4.320 0.007 0.000 0.208 250 A C 1.740 179.103 177.584 -0.368 0.000 1.177 250 A CA 0.411 52.404 52.037 -0.072 0.000 0.804 250 A CB -1.110 17.953 19.000 0.105 0.000 0.823 250 A HN 1.450 nan 8.150 nan 0.000 0.482 251 G N -1.934 106.756 108.800 -0.185 0.000 2.141 251 G HA2 -0.236 3.728 3.960 0.007 0.000 0.242 251 G HA3 -0.236 3.728 3.960 0.007 0.000 0.242 251 G C -0.129 174.762 174.900 -0.014 0.000 0.982 251 G CA 0.177 45.170 45.100 -0.177 0.000 0.662 251 G HN 0.316 nan 8.290 nan 0.000 0.527 252 F N 0.588 120.749 119.950 0.351 0.000 2.379 252 F HA 0.621 5.152 4.527 0.007 0.000 0.332 252 F C 1.365 177.312 175.800 0.245 0.000 1.096 252 F CA -1.640 56.531 58.000 0.285 0.000 1.105 252 F CB 0.731 39.815 39.000 0.140 0.000 1.189 252 F HN -0.020 nan 8.300 nan 0.000 0.515 253 I N 2.086 122.807 120.570 0.252 0.000 2.752 253 I HA -0.056 4.118 4.170 0.007 0.000 0.289 253 I C 0.886 176.974 176.117 -0.048 0.000 1.197 253 I CA 0.619 61.822 61.300 -0.162 0.000 1.432 253 I CB 0.570 38.446 38.000 -0.207 0.000 1.359 253 I HN 0.785 nan 8.210 nan 0.000 0.571 254 S N 3.129 118.769 115.700 -0.100 0.000 2.604 254 S HA 0.492 4.966 4.470 0.007 0.000 0.235 254 S C 0.402 174.959 174.600 -0.072 0.000 1.043 254 S CA 0.080 58.262 58.200 -0.030 0.000 0.997 254 S CB 1.068 64.285 63.200 0.029 0.000 0.956 254 S HN 0.901 nan 8.310 nan 0.000 0.535 255 G N 0.108 108.831 108.800 -0.129 0.000 2.340 255 G HA2 0.667 4.631 3.960 0.007 0.000 0.299 255 G HA3 0.667 4.631 3.960 0.007 0.000 0.299 255 G C -1.859 172.954 174.900 -0.145 0.000 1.291 255 G CA -0.110 44.921 45.100 -0.116 0.000 0.841 255 G HN 1.056 nan 8.290 nan 0.000 0.500 256 A N -1.272 121.473 122.820 -0.125 0.000 2.608 256 A HA 0.950 5.275 4.320 0.007 0.000 0.292 256 A C -0.781 176.727 177.584 -0.127 0.000 1.066 256 A CA 0.309 52.269 52.037 -0.128 0.000 0.676 256 A CB 1.401 20.328 19.000 -0.121 0.000 1.277 256 A HN 1.966 nan 8.150 nan 0.000 0.413 257 S N -0.385 115.232 115.700 -0.139 0.000 2.546 257 S HA 0.782 5.256 4.470 0.007 0.000 0.274 257 S C -1.467 173.051 174.600 -0.137 0.000 1.121 257 S CA -0.405 57.712 58.200 -0.139 0.000 0.887 257 S CB 0.806 63.919 63.200 -0.145 0.000 1.094 257 S HN 0.650 nan 8.310 nan 0.000 0.474 258 I N 3.377 123.877 120.570 -0.117 0.000 2.465 258 I HA 0.432 4.606 4.170 0.007 0.000 0.291 258 I C -0.478 175.590 176.117 -0.082 0.000 1.014 258 I CA -0.597 60.654 61.300 -0.082 0.000 1.093 258 I CB 2.001 39.960 38.000 -0.068 0.000 1.267 258 I HN 0.457 nan 8.210 nan 0.000 0.431 259 Q N 4.684 124.459 119.800 -0.042 0.000 2.312 259 Q HA 0.538 4.883 4.340 0.007 0.000 0.263 259 Q C -0.779 175.060 176.000 -0.269 0.000 0.995 259 Q CA -0.678 55.021 55.803 -0.172 0.000 0.853 259 Q CB 2.668 31.321 28.738 -0.141 0.000 1.300 259 Q HN 0.783 nan 8.270 nan 0.000 0.448 260 S N 1.253 116.742 115.700 -0.352 0.000 2.607 260 S HA 0.813 5.287 4.470 0.007 0.000 0.303 260 S C -1.067 173.273 174.600 -0.433 0.000 1.086 260 S CA -0.542 57.589 58.200 -0.115 0.000 0.995 260 S CB 1.034 64.399 63.200 0.276 0.000 1.084 260 S HN 0.493 nan 8.310 nan 0.000 0.507 261 Y N -0.494 119.990 120.300 0.307 0.000 2.571 261 Y HA 0.514 5.068 4.550 0.007 0.000 0.341 261 Y C 0.108 176.153 175.900 0.241 0.000 1.076 261 Y CA -1.580 56.647 58.100 0.211 0.000 1.029 261 Y CB 1.238 39.778 38.460 0.134 0.000 1.308 261 Y HN 0.745 nan 8.280 nan 0.000 0.461 262 L N 1.742 123.201 121.223 0.394 0.000 3.739 262 L HA -0.249 4.095 4.340 0.007 0.000 0.442 262 L C -0.394 176.610 176.870 0.225 0.000 1.241 262 L CA 0.055 55.061 54.840 0.278 0.000 0.819 262 L CB -0.904 41.305 42.059 0.250 0.000 1.679 262 L HN 0.500 nan 8.230 nan 0.000 0.889 263 L N 0.994 122.321 121.223 0.173 0.000 2.499 263 L HA 0.041 4.385 4.340 0.007 0.000 0.273 263 L C 1.171 178.121 176.870 0.133 0.000 1.195 263 L CA 0.718 55.606 54.840 0.080 0.000 0.882 263 L CB 0.631 42.569 42.059 -0.202 0.000 1.133 263 L HN 0.196 nan 8.230 nan 0.000 0.483 264 E N 4.174 124.498 120.200 0.206 0.000 1.802 264 E HA 0.023 4.377 4.350 0.007 0.000 0.265 264 E C 0.437 177.176 176.600 0.233 0.000 1.168 264 E CA -0.030 56.495 56.400 0.208 0.000 1.033 264 E CB 0.286 30.105 29.700 0.200 0.000 1.095 264 E HN 0.683 nan 8.360 nan 0.000 0.436 265 K N 0.625 121.126 120.400 0.167 0.000 2.288 265 K HA -0.100 4.225 4.320 0.007 0.000 0.201 265 K C 2.027 178.692 176.600 0.108 0.000 1.048 265 K CA 1.160 57.542 56.287 0.157 0.000 0.956 265 K CB 0.149 32.731 32.500 0.136 0.000 0.746 265 K HN 0.357 nan 8.250 nan 0.000 0.461 266 S N 1.205 116.964 115.700 0.099 0.000 2.442 266 S HA -0.180 4.294 4.470 0.007 0.000 0.236 266 S C 1.962 176.586 174.600 0.041 0.000 1.007 266 S CA 0.842 59.084 58.200 0.070 0.000 0.965 266 S CB -0.213 63.043 63.200 0.093 0.000 0.773 266 S HN 0.276 nan 8.310 nan 0.000 0.504 267 R N 1.060 121.575 120.500 0.024 0.000 2.193 267 R HA -0.008 4.336 4.340 0.007 0.000 0.229 267 R C 1.707 177.885 176.300 -0.203 0.000 1.110 267 R CA 1.109 57.143 56.100 -0.110 0.000 0.988 267 R CB -0.534 29.581 30.300 -0.309 0.000 0.871 267 R HN 0.391 nan 8.270 nan 0.000 0.458 268 V N 0.636 120.451 119.914 -0.166 0.000 2.469 268 V HA -0.215 3.909 4.120 0.007 0.000 0.251 268 V C 2.127 177.819 176.094 -0.671 0.000 1.064 268 V CA 1.850 63.925 62.300 -0.374 0.000 1.066 268 V CB 0.030 31.648 31.823 -0.342 0.000 0.667 268 V HN 0.497 nan 8.190 nan 0.000 0.461 269 V N -4.882 114.720 119.914 -0.521 0.000 3.661 269 V HA 0.428 4.552 4.120 0.007 0.000 0.271 269 V C 0.163 176.187 176.094 -0.117 0.000 1.315 269 V CA 0.028 61.933 62.300 -0.658 0.000 1.072 269 V CB 0.268 31.887 31.823 -0.338 0.000 0.830 269 V HN 0.300 nan 8.190 nan 0.000 0.443 270 F N 1.369 121.201 119.950 -0.197 0.000 2.604 270 F HA 0.775 5.306 4.527 0.007 0.000 0.316 270 F C -1.561 174.183 175.800 -0.093 0.000 1.136 270 F CA -0.698 57.252 58.000 -0.083 0.000 0.989 270 F CB 1.999 40.976 39.000 -0.038 0.000 1.258 270 F HN 0.045 nan 8.300 nan 0.000 0.451 271 Q N 3.336 122.539 119.800 -0.995 0.000 2.337 271 Q HA 0.490 4.835 4.340 0.007 0.000 0.270 271 Q C -0.548 174.733 176.000 -1.197 0.000 1.043 271 Q CA -1.025 54.271 55.803 -0.844 0.000 0.794 271 Q CB 2.069 30.557 28.738 -0.417 0.000 1.281 271 Q HN 0.687 nan 8.270 nan 0.000 0.446 272 S N 0.995 116.242 115.700 -0.754 0.000 2.576 272 S HA 0.091 4.565 4.470 0.007 0.000 0.272 272 S C 0.230 174.684 174.600 -0.245 0.000 1.352 272 S CA -0.747 57.236 58.200 -0.362 0.000 1.021 272 S CB 0.511 63.689 63.200 -0.036 0.000 0.887 272 S HN 0.632 nan 8.310 nan 0.000 0.542 273 E N 0.763 120.882 120.200 -0.134 0.000 2.568 273 E HA -0.022 4.333 4.350 0.007 0.000 0.262 273 E C 1.135 177.677 176.600 -0.097 0.000 0.961 273 E CA 1.409 57.751 56.400 -0.096 0.000 0.945 273 E CB 0.045 29.718 29.700 -0.046 0.000 0.924 273 E HN 1.128 nan 8.360 nan 0.000 0.467 274 T N -0.201 114.297 114.554 -0.094 0.000 7.679 274 T HA -0.295 4.059 4.350 0.007 0.000 0.300 274 T C 0.131 174.766 174.700 -0.108 0.000 2.098 274 T CA 1.668 63.714 62.100 -0.090 0.000 3.313 274 T CB -1.350 67.472 68.868 -0.075 0.000 1.898 274 T HN 0.595 nan 8.240 nan 0.000 1.144 275 E N 1.134 121.255 120.200 -0.131 0.000 2.345 275 E HA 0.581 4.935 4.350 0.007 0.000 0.259 275 E C 0.549 177.059 176.600 -0.150 0.000 1.117 275 E CA -0.831 55.483 56.400 -0.145 0.000 0.913 275 E CB 0.755 30.355 29.700 -0.167 0.000 1.057 275 E HN 0.456 nan 8.360 nan 0.000 0.432 276 R N 0.962 121.373 120.500 -0.149 0.000 2.902 276 R HA 0.290 4.634 4.340 0.007 0.000 0.258 276 R C 0.266 176.529 176.300 -0.063 0.000 1.071 276 R CA -0.933 55.102 56.100 -0.108 0.000 1.024 276 R CB 0.879 31.017 30.300 -0.270 0.000 1.184 276 R HN 0.442 nan 8.270 nan 0.000 0.492 277 N N 0.337 119.127 118.700 0.149 0.000 2.285 277 N HA -0.006 4.739 4.740 0.007 0.000 0.262 277 N C -0.600 174.985 175.510 0.126 0.000 1.299 277 N CA 0.248 53.311 53.050 0.022 0.000 0.930 277 N CB 0.212 38.677 38.487 -0.037 0.000 1.157 277 N HN 0.226 nan 8.380 nan 0.000 0.532 278 Y N 1.252 121.707 120.300 0.259 0.000 2.805 278 Y HA -0.085 4.469 4.550 0.007 0.000 0.337 278 Y C 1.996 178.099 175.900 0.338 0.000 1.252 278 Y CA 0.315 58.540 58.100 0.209 0.000 1.515 278 Y CB 0.158 38.747 38.460 0.214 0.000 1.305 278 Y HN 0.513 nan 8.280 nan 0.000 0.600 279 H N 1.811 121.118 119.070 0.395 0.000 2.353 279 H HA -0.204 4.356 4.556 0.007 0.000 0.298 279 H C 2.220 177.665 175.328 0.197 0.000 1.103 279 H CA 2.033 58.264 56.048 0.305 0.000 1.293 279 H CB -0.281 29.586 29.762 0.174 0.000 1.372 279 H HN 0.743 nan 8.280 nan 0.000 0.501 280 I N 0.635 121.247 120.570 0.069 0.000 2.248 280 I HA -0.276 3.898 4.170 0.007 0.000 0.248 280 I C 1.852 177.786 176.117 -0.305 0.000 1.107 280 I CA 1.105 62.234 61.300 -0.286 0.000 1.373 280 I CB -0.550 36.931 38.000 -0.866 0.000 1.055 280 I HN -0.053 nan 8.210 nan 0.000 0.418 281 F N -0.393 119.496 119.950 -0.102 0.000 2.113 281 F HA -0.212 4.319 4.527 0.006 0.000 0.297 281 F C 2.234 177.771 175.800 -0.438 0.000 1.103 281 F CA 1.845 59.653 58.000 -0.320 0.000 1.248 281 F CB -1.245 37.471 39.000 -0.474 0.000 0.999 281 F HN 0.101 nan 8.300 nan 0.000 0.475 282 Y N -0.120 120.248 120.300 0.113 0.000 2.242 282 Y HA -0.196 4.358 4.550 0.008 0.000 0.291 282 Y C 2.457 178.296 175.900 -0.103 0.000 1.137 282 Y CA 1.080 59.189 58.100 0.015 0.000 1.181 282 Y CB -1.177 37.314 38.460 0.051 0.000 0.989 282 Y HN 0.106 nan 8.280 nan 0.000 0.527 283 Q N -0.284 119.515 119.800 -0.001 0.000 2.050 283 Q HA -0.202 4.143 4.340 0.007 0.000 0.202 283 Q C 2.268 177.845 176.000 -0.704 0.000 0.980 283 Q CA 1.681 57.382 55.803 -0.171 0.000 0.840 283 Q CB -0.475 28.262 28.738 -0.002 0.000 0.898 283 Q HN 0.424 nan 8.270 nan 0.000 0.424 284 L N 0.510 121.237 121.223 -0.827 0.000 1.989 284 L HA -0.200 4.144 4.340 0.007 0.000 0.211 284 L C 1.973 178.433 176.870 -0.683 0.000 1.071 284 L CA 1.647 55.803 54.840 -1.140 0.000 0.749 284 L CB -0.702 40.979 42.059 -0.629 0.000 0.890 284 L HN 0.163 nan 8.230 nan 0.000 0.431 285 L N -0.017 120.983 121.223 -0.372 0.000 2.042 285 L HA -0.142 4.203 4.340 0.007 0.000 0.210 285 L C 2.682 179.460 176.870 -0.153 0.000 1.076 285 L CA 2.097 56.824 54.840 -0.188 0.000 0.749 285 L CB -1.727 40.281 42.059 -0.084 0.000 0.893 285 L HN 0.404 nan 8.230 nan 0.000 0.432 286 A N -1.287 121.440 122.820 -0.156 0.000 1.968 286 A HA 0.043 4.367 4.320 0.007 0.000 0.217 286 A C 2.228 179.753 177.584 -0.098 0.000 1.169 286 A CA 1.549 53.537 52.037 -0.081 0.000 0.638 286 A CB -0.840 18.143 19.000 -0.028 0.000 0.812 286 A HN 0.444 nan 8.150 nan 0.000 0.446 287 G N -1.508 107.157 108.800 -0.224 0.000 2.939 287 G HA2 0.444 4.408 3.960 0.007 0.000 0.216 287 G HA3 0.444 4.408 3.960 0.007 0.000 0.216 287 G C 0.634 175.549 174.900 0.026 0.000 1.125 287 G CA 0.633 45.708 45.100 -0.041 0.000 0.766 287 G HN 0.720 nan 8.290 nan 0.000 0.541 288 A N 1.239 123.950 122.820 -0.182 0.000 2.445 288 A HA 0.524 4.848 4.320 0.007 0.000 0.242 288 A C 1.115 178.712 177.584 0.022 0.000 1.075 288 A CA 0.470 52.479 52.037 -0.047 0.000 0.777 288 A CB -0.090 18.829 19.000 -0.136 0.000 1.013 288 A HN 0.565 nan 8.150 nan 0.000 0.493 289 T N -0.686 113.901 114.554 0.056 0.000 2.813 289 T HA 0.429 4.784 4.350 0.007 0.000 0.297 289 T C 1.398 176.111 174.700 0.023 0.000 1.036 289 T CA -0.011 62.113 62.100 0.041 0.000 1.044 289 T CB 0.863 69.759 68.868 0.048 0.000 0.993 289 T HN 1.291 nan 8.240 nan 0.000 0.535 290 A N 0.703 123.534 122.820 0.017 0.000 1.940 290 A HA -0.080 4.244 4.320 0.007 0.000 0.219 290 A C 2.402 179.990 177.584 0.007 0.000 1.176 290 A CA 1.749 53.792 52.037 0.010 0.000 0.631 290 A CB -1.179 17.826 19.000 0.008 0.000 0.814 290 A HN 0.868 nan 8.150 nan 0.000 0.446 291 E N -0.571 119.637 120.200 0.013 0.000 2.208 291 E HA -0.130 4.224 4.350 0.007 0.000 0.193 291 E C 1.869 178.477 176.600 0.013 0.000 0.988 291 E CA 1.183 57.589 56.400 0.010 0.000 0.828 291 E CB -0.319 29.392 29.700 0.018 0.000 0.763 291 E HN 0.880 nan 8.360 nan 0.000 0.478 292 E N -0.084 120.133 120.200 0.029 0.000 2.076 292 E HA -0.067 4.287 4.350 0.007 0.000 0.190 292 E C 2.228 178.839 176.600 0.019 0.000 0.979 292 E CA 0.609 57.035 56.400 0.042 0.000 0.807 292 E CB 0.056 29.797 29.700 0.069 0.000 0.761 292 E HN 0.051 nan 8.360 nan 0.000 0.454 293 K N 0.751 121.155 120.400 0.008 0.000 2.063 293 K HA -0.169 4.156 4.320 0.007 0.000 0.208 293 K C 2.369 178.966 176.600 -0.004 0.000 1.048 293 K CA 1.741 58.034 56.287 0.010 0.000 0.928 293 K CB -0.478 32.029 32.500 0.011 0.000 0.713 293 K HN 0.071 nan 8.250 nan 0.000 0.442 294 K N 0.956 121.334 120.400 -0.036 0.000 2.062 294 K HA 0.083 4.407 4.320 0.007 0.000 0.205 294 K C 2.244 178.712 176.600 -0.219 0.000 1.051 294 K CA 1.450 57.676 56.287 -0.102 0.000 0.941 294 K CB -0.919 31.539 32.500 -0.070 0.000 0.719 294 K HN 0.264 nan 8.250 nan 0.000 0.440 295 A N 0.374 123.115 122.820 -0.131 0.000 2.015 295 A HA 0.163 4.488 4.320 0.007 0.000 0.219 295 A C 2.164 179.676 177.584 -0.120 0.000 1.163 295 A CA 1.304 53.260 52.037 -0.135 0.000 0.646 295 A CB -0.147 18.836 19.000 -0.029 0.000 0.806 295 A HN 0.407 nan 8.150 nan 0.000 0.448 296 L N -1.691 119.516 121.223 -0.027 0.000 2.640 296 L HA 0.139 4.483 4.340 0.007 0.000 0.230 296 L C 0.022 177.094 176.870 0.338 0.000 1.123 296 L CA -0.094 54.835 54.840 0.148 0.000 0.900 296 L CB -0.315 41.819 42.059 0.125 0.000 1.146 296 L HN 0.540 nan 8.230 nan 0.000 0.484 297 H N -0.412 118.748 119.070 0.149 0.000 2.770 297 H HA -0.128 4.433 4.556 0.007 0.000 0.309 297 H C -0.002 175.520 175.328 0.324 0.000 1.206 297 H CA 0.255 56.412 56.048 0.182 0.000 1.147 297 H CB -1.989 27.818 29.762 0.076 0.000 1.422 297 H HN 0.290 nan 8.280 nan 0.000 0.420 298 L N -0.192 121.204 121.223 0.289 0.000 2.375 298 L HA 0.637 4.981 4.340 0.007 0.000 0.271 298 L C 1.060 178.082 176.870 0.253 0.000 1.107 298 L CA 0.022 55.047 54.840 0.308 0.000 0.806 298 L CB 1.475 43.614 42.059 0.132 0.000 1.146 298 L HN 0.319 nan 8.230 nan 0.000 0.447 299 A N 1.528 124.532 122.820 0.306 0.000 3.509 299 A HA 0.862 5.186 4.320 0.007 0.000 0.188 299 A C 0.081 177.767 177.584 0.171 0.000 1.116 299 A CA -0.027 52.078 52.037 0.113 0.000 0.859 299 A CB 0.134 19.086 19.000 -0.079 0.000 1.471 299 A HN 0.681 nan 8.150 nan 0.000 0.606 300 G N -1.205 107.630 108.800 0.057 0.000 2.537 300 G HA2 0.479 4.443 3.960 0.007 0.000 0.273 300 G HA3 0.479 4.443 3.960 0.007 0.000 0.273 300 G C -1.695 173.292 174.900 0.144 0.000 1.189 300 G CA -0.865 44.285 45.100 0.083 0.000 0.881 300 G HN 0.355 nan 8.290 nan 0.000 0.535 301 P HA -0.101 nan 4.420 nan 0.000 0.222 301 P C 1.440 178.824 177.300 0.139 0.000 1.147 301 P CA 1.012 64.238 63.100 0.210 0.000 0.790 301 P CB 0.220 32.037 31.700 0.194 0.000 0.780 302 E N 0.157 120.388 120.200 0.053 0.000 2.338 302 E HA -0.060 4.294 4.350 0.007 0.000 0.197 302 E C 0.994 177.541 176.600 -0.087 0.000 1.007 302 E CA 0.886 57.285 56.400 -0.001 0.000 0.849 302 E CB -1.003 28.691 29.700 -0.011 0.000 0.774 302 E HN 0.155 nan 8.360 nan 0.000 0.506 303 S N -0.070 115.502 115.700 -0.213 0.000 2.634 303 S HA 0.229 4.703 4.470 0.007 0.000 0.221 303 S C -0.583 173.572 174.600 -0.742 0.000 0.952 303 S CA -0.303 57.615 58.200 -0.471 0.000 0.930 303 S CB -0.230 62.590 63.200 -0.633 0.000 0.780 303 S HN 0.119 nan 8.310 nan 0.000 0.498 304 F N 1.153 121.060 119.950 -0.072 0.000 2.518 304 F HA 0.406 4.937 4.527 0.007 0.000 0.323 304 F C 0.950 176.684 175.800 -0.109 0.000 1.129 304 F CA -1.414 56.516 58.000 -0.116 0.000 0.920 304 F CB 0.910 39.823 39.000 -0.146 0.000 1.160 304 F HN -0.120 nan 8.300 nan 0.000 0.440 305 N N 1.056 119.763 118.700 0.013 0.000 2.205 305 N HA -0.235 4.510 4.740 0.007 0.000 0.186 305 N C 0.904 176.478 175.510 0.107 0.000 1.015 305 N CA 1.081 54.130 53.050 -0.003 0.000 0.862 305 N CB -0.117 38.322 38.487 -0.079 0.000 0.986 305 N HN 0.493 nan 8.380 nan 0.000 0.429 306 Y N 0.260 120.549 120.300 -0.018 0.000 2.583 306 Y HA 0.122 4.675 4.550 0.006 0.000 0.293 306 Y C 1.235 177.020 175.900 -0.191 0.000 1.157 306 Y CA 0.416 58.431 58.100 -0.142 0.000 1.315 306 Y CB 0.004 38.299 38.460 -0.276 0.000 1.021 306 Y HN 0.097 nan 8.280 nan 0.000 0.536 307 L N -0.810 120.443 121.223 0.050 0.000 3.086 307 L HA 0.191 4.535 4.340 0.007 0.000 0.274 307 L C 0.800 177.723 176.870 0.089 0.000 1.184 307 L CA 0.219 55.078 54.840 0.031 0.000 1.002 307 L CB 0.087 42.118 42.059 -0.046 0.000 1.383 307 L HN 0.164 nan 8.230 nan 0.000 0.582 308 N N -1.787 116.951 118.700 0.063 0.000 2.238 308 N HA 0.049 4.793 4.740 0.007 0.000 0.235 308 N C 0.654 176.177 175.510 0.021 0.000 1.209 308 N CA -0.260 52.816 53.050 0.044 0.000 0.879 308 N CB 0.511 39.014 38.487 0.027 0.000 1.136 308 N HN 0.136 nan 8.380 nan 0.000 0.517 309 Q N 0.508 120.313 119.800 0.007 0.000 2.378 309 Q HA 0.062 4.407 4.340 0.007 0.000 0.229 309 Q C 1.846 177.815 176.000 -0.053 0.000 0.882 309 Q CA 0.745 56.541 55.803 -0.011 0.000 0.936 309 Q CB 0.640 29.383 28.738 0.008 0.000 1.092 309 Q HN 0.498 nan 8.270 nan 0.000 0.535 310 S N -0.570 115.082 115.700 -0.079 0.000 2.470 310 S HA 0.153 4.628 4.470 0.007 0.000 0.225 310 S C 1.540 176.100 174.600 -0.067 0.000 1.006 310 S CA 0.818 58.951 58.200 -0.111 0.000 0.934 310 S CB 0.124 63.241 63.200 -0.139 0.000 0.778 310 S HN 0.431 nan 8.310 nan 0.000 0.517 311 G N 0.188 108.965 108.800 -0.038 0.000 2.157 311 G HA2 -0.258 3.706 3.960 0.007 0.000 0.248 311 G HA3 -0.258 3.706 3.960 0.007 0.000 0.248 311 G C 0.080 174.959 174.900 -0.035 0.000 0.979 311 G CA -0.003 45.079 45.100 -0.030 0.000 0.650 311 G HN 1.237 nan 8.290 nan 0.000 0.529 312 C N 0.552 119.826 119.300 -0.044 0.000 2.446 312 C HA 0.721 5.185 4.460 0.007 0.000 0.329 312 C C 1.273 176.219 174.990 -0.074 0.000 1.166 312 C CA 0.203 59.181 59.018 -0.067 0.000 1.341 312 C CB 1.046 28.728 27.740 -0.097 0.000 1.970 312 C HN 1.345 nan 8.230 nan 0.000 0.452 313 V N 1.057 120.930 119.914 -0.068 0.000 3.398 313 V HA 0.489 4.614 4.120 0.007 0.000 0.298 313 V C -0.041 175.939 176.094 -0.190 0.000 1.496 313 V CA 0.468 62.727 62.300 -0.067 0.000 1.044 313 V CB -0.019 31.890 31.823 0.144 0.000 0.880 313 V HN 0.796 nan 8.190 nan 0.000 0.443 314 D N 0.708 121.010 120.400 -0.163 0.000 2.671 314 D HA 0.643 5.287 4.640 0.007 0.000 0.232 314 D C -1.048 175.168 176.300 -0.141 0.000 1.114 314 D CA -0.253 53.669 54.000 -0.131 0.000 0.858 314 D CB 3.147 43.907 40.800 -0.066 0.000 1.544 314 D HN 0.183 nan 8.370 nan 0.000 0.471 315 I N 1.238 121.734 120.570 -0.124 0.000 2.406 315 I HA 0.246 4.420 4.170 0.007 0.000 0.290 315 I C 0.736 176.810 176.117 -0.072 0.000 0.999 315 I CA -0.846 60.393 61.300 -0.101 0.000 1.124 315 I CB 1.577 39.514 38.000 -0.104 0.000 1.289 315 I HN 0.248 nan 8.210 nan 0.000 0.441 316 K N 4.054 124.418 120.400 -0.061 0.000 2.484 316 K HA 0.402 4.726 4.320 0.007 0.000 0.280 316 K C 1.103 177.679 176.600 -0.041 0.000 1.013 316 K CA 0.415 56.675 56.287 -0.046 0.000 1.029 316 K CB -0.320 32.155 32.500 -0.043 0.000 0.902 316 K HN 1.179 nan 8.250 nan 0.000 0.481 317 G N -0.138 108.643 108.800 -0.033 0.000 2.159 317 G HA2 -0.161 3.804 3.960 0.007 0.000 0.256 317 G HA3 -0.161 3.804 3.960 0.007 0.000 0.256 317 G C 0.084 174.966 174.900 -0.030 0.000 0.977 317 G CA 0.254 45.338 45.100 -0.026 0.000 0.652 317 G HN 1.409 nan 8.290 nan 0.000 0.531 318 V N 0.669 120.557 119.914 -0.042 0.000 2.540 318 V HA 0.747 4.871 4.120 0.007 0.000 0.302 318 V C 0.306 176.375 176.094 -0.042 0.000 1.035 318 V CA -0.056 62.212 62.300 -0.053 0.000 0.873 318 V CB 1.905 33.674 31.823 -0.091 0.000 0.992 318 V HN 0.683 nan 8.190 nan 0.000 0.428 319 S N 2.731 118.415 115.700 -0.028 0.000 2.461 319 S HA 0.236 4.710 4.470 0.007 0.000 0.322 319 S C 0.685 175.284 174.600 -0.002 0.000 1.063 319 S CA -0.665 57.528 58.200 -0.011 0.000 1.120 319 S CB 0.655 63.856 63.200 0.001 0.000 0.968 319 S HN 0.737 nan 8.310 nan 0.000 0.467 320 D N 3.252 123.654 120.400 0.003 0.000 2.218 320 D HA -0.103 4.542 4.640 0.007 0.000 0.204 320 D C 1.964 178.294 176.300 0.049 0.000 0.976 320 D CA 1.535 55.550 54.000 0.025 0.000 0.853 320 D CB 0.030 40.862 40.800 0.053 0.000 0.939 320 D HN 0.732 nan 8.370 nan 0.000 0.481 321 S N 0.672 116.398 115.700 0.044 0.000 2.395 321 S HA -0.072 4.402 4.470 0.007 0.000 0.225 321 S C 1.744 176.404 174.600 0.101 0.000 1.027 321 S CA 0.460 58.705 58.200 0.076 0.000 0.965 321 S CB -0.051 63.178 63.200 0.047 0.000 0.812 321 S HN 0.079 nan 8.310 nan 0.000 0.482 322 E N 1.523 121.758 120.200 0.059 0.000 2.110 322 E HA -0.085 4.269 4.350 0.007 0.000 0.193 322 E C 2.020 178.654 176.600 0.056 0.000 0.988 322 E CA 0.917 57.346 56.400 0.048 0.000 0.804 322 E CB -0.254 29.462 29.700 0.026 0.000 0.745 322 E HN 0.591 nan 8.360 nan 0.000 0.458 323 E N -0.002 120.234 120.200 0.061 0.000 2.152 323 E HA -0.111 4.244 4.350 0.007 0.000 0.192 323 E C 1.855 178.533 176.600 0.130 0.000 0.983 323 E CA 0.198 56.637 56.400 0.066 0.000 0.818 323 E CB -0.342 29.376 29.700 0.030 0.000 0.758 323 E HN 0.198 nan 8.360 nan 0.000 0.467 324 F N 2.501 122.431 119.950 -0.033 0.000 2.171 324 F HA -0.159 4.372 4.527 0.007 0.000 0.300 324 F C 1.935 177.718 175.800 -0.028 0.000 1.090 324 F CA 1.315 59.281 58.000 -0.057 0.000 1.293 324 F CB 0.008 38.945 39.000 -0.105 0.000 1.013 324 F HN -0.109 nan 8.300 nan 0.000 0.486 325 K N 0.130 120.532 120.400 0.004 0.000 2.026 325 K HA -0.158 4.167 4.320 0.007 0.000 0.208 325 K C 2.188 178.745 176.600 -0.071 0.000 1.048 325 K CA 1.923 58.160 56.287 -0.082 0.000 0.929 325 K CB -0.424 32.068 32.500 -0.013 0.000 0.713 325 K HN 0.295 nan 8.250 nan 0.000 0.439 326 I N 1.292 121.853 120.570 -0.015 0.000 2.118 326 I HA -0.323 3.852 4.170 0.007 0.000 0.241 326 I C 2.251 178.369 176.117 0.001 0.000 1.070 326 I CA 1.550 62.851 61.300 0.003 0.000 1.327 326 I CB -0.725 37.291 38.000 0.027 0.000 1.034 326 I HN 0.237 nan 8.210 nan 0.000 0.405 327 T N 0.567 115.125 114.554 0.007 0.000 2.684 327 T HA -0.170 4.185 4.350 0.007 0.000 0.267 327 T C 1.992 176.678 174.700 -0.022 0.000 1.036 327 T CA 1.211 63.330 62.100 0.031 0.000 1.148 327 T CB -0.267 68.661 68.868 0.100 0.000 0.863 327 T HN 0.317 nan 8.240 nan 0.000 0.436 328 R N 0.821 121.224 120.500 -0.161 0.000 2.075 328 R HA -0.079 4.266 4.340 0.007 0.000 0.232 328 R C 2.661 178.931 176.300 -0.050 0.000 1.126 328 R CA 1.342 57.362 56.100 -0.133 0.000 0.963 328 R CB -0.398 29.727 30.300 -0.291 0.000 0.858 328 R HN 0.502 nan 8.270 nan 0.000 0.435 329 Q N 0.854 120.625 119.800 -0.048 0.000 2.096 329 Q HA -0.164 4.180 4.340 0.007 0.000 0.204 329 Q C 2.038 178.047 176.000 0.014 0.000 0.982 329 Q CA 1.928 57.724 55.803 -0.011 0.000 0.850 329 Q CB -0.128 28.604 28.738 -0.010 0.000 0.901 329 Q HN 0.348 nan 8.270 nan 0.000 0.422 330 A N 0.540 123.373 122.820 0.021 0.000 1.883 330 A HA -0.236 4.089 4.320 0.007 0.000 0.217 330 A C 2.106 179.732 177.584 0.069 0.000 1.186 330 A CA 1.859 53.922 52.037 0.043 0.000 0.624 330 A CB -0.665 18.366 19.000 0.052 0.000 0.822 330 A HN 0.541 nan 8.150 nan 0.000 0.444 331 M N -0.548 119.087 119.600 0.059 0.000 2.080 331 M HA -0.192 4.292 4.480 0.007 0.000 0.260 331 M C 1.707 178.119 176.300 0.186 0.000 1.068 331 M CA 1.832 57.203 55.300 0.119 0.000 1.109 331 M CB -0.640 31.932 32.600 -0.046 0.000 1.342 331 M HN 0.358 nan 8.290 nan 0.000 0.405 332 D N 0.677 121.133 120.400 0.094 0.000 2.106 332 D HA -0.159 4.485 4.640 0.007 0.000 0.191 332 D C 1.902 178.235 176.300 0.056 0.000 0.997 332 D CA 1.517 55.559 54.000 0.069 0.000 0.834 332 D CB -0.402 40.419 40.800 0.035 0.000 0.956 332 D HN 0.386 nan 8.370 nan 0.000 0.448 333 I N 0.535 121.133 120.570 0.046 0.000 2.226 333 I HA -0.212 3.962 4.170 0.007 0.000 0.245 333 I C 2.419 178.546 176.117 0.016 0.000 1.100 333 I CA 0.563 61.877 61.300 0.023 0.000 1.374 333 I CB -0.062 37.949 38.000 0.018 0.000 1.057 333 I HN -0.119 nan 8.210 nan 0.000 0.413 334 V N 0.536 120.479 119.914 0.050 0.000 2.626 334 V HA -0.085 4.039 4.120 0.007 0.000 0.252 334 V C 1.582 177.634 176.094 -0.070 0.000 1.067 334 V CA 1.642 63.945 62.300 0.006 0.000 1.081 334 V CB -0.752 31.121 31.823 0.082 0.000 0.686 334 V HN 0.769 nan 8.190 nan 0.000 0.468 335 G N -1.008 107.786 108.800 -0.011 0.000 2.141 335 G HA2 -0.195 3.769 3.960 0.007 0.000 0.164 335 G HA3 -0.195 3.769 3.960 0.007 0.000 0.164 335 G C -0.150 174.675 174.900 -0.126 0.000 1.009 335 G CA -0.552 44.504 45.100 -0.074 0.000 0.677 335 G HN 0.301 nan 8.290 nan 0.000 0.508 336 F N 2.828 122.736 119.950 -0.070 0.000 2.578 336 F HA 0.416 4.947 4.527 0.006 0.000 0.381 336 F C 1.630 177.414 175.800 -0.027 0.000 1.069 336 F CA 0.665 58.633 58.000 -0.054 0.000 1.231 336 F CB 0.783 39.749 39.000 -0.056 0.000 1.086 336 F HN 0.314 nan 8.300 nan 0.000 0.564 337 S N 2.803 118.580 115.700 0.130 0.000 2.600 337 S HA 0.070 4.544 4.470 0.007 0.000 0.265 337 S C 1.002 175.658 174.600 0.092 0.000 1.325 337 S CA -0.922 57.327 58.200 0.082 0.000 1.002 337 S CB 1.062 64.295 63.200 0.055 0.000 0.921 337 S HN 0.625 nan 8.310 nan 0.000 0.554 338 Q N 0.878 120.716 119.800 0.064 0.000 2.181 338 Q HA -0.093 4.251 4.340 0.007 0.000 0.205 338 Q C 2.287 178.318 176.000 0.052 0.000 0.980 338 Q CA 1.714 57.553 55.803 0.060 0.000 0.862 338 Q CB -0.843 27.927 28.738 0.053 0.000 0.905 338 Q HN 0.868 nan 8.270 nan 0.000 0.429 339 E N 0.568 120.798 120.200 0.049 0.000 2.072 339 E HA -0.118 4.236 4.350 0.007 0.000 0.190 339 E C 1.955 178.574 176.600 0.031 0.000 0.982 339 E CA 0.785 57.209 56.400 0.039 0.000 0.803 339 E CB -0.064 29.658 29.700 0.037 0.000 0.755 339 E HN 0.556 nan 8.360 nan 0.000 0.453 340 E N 0.400 120.644 120.200 0.074 0.000 2.058 340 E HA -0.253 4.101 4.350 0.007 0.000 0.194 340 E C 2.455 179.044 176.600 -0.017 0.000 0.997 340 E CA 1.512 57.985 56.400 0.122 0.000 0.801 340 E CB -0.147 29.756 29.700 0.339 0.000 0.746 340 E HN 0.434 nan 8.360 nan 0.000 0.450 341 Q N -0.246 119.509 119.800 -0.075 0.000 2.050 341 Q HA -0.181 4.163 4.340 0.007 0.000 0.202 341 Q C 2.215 177.886 176.000 -0.548 0.000 0.980 341 Q CA 1.052 56.623 55.803 -0.387 0.000 0.840 341 Q CB -0.158 28.460 28.738 -0.200 0.000 0.898 341 Q HN 0.216 nan 8.270 nan 0.000 0.424 342 M N 0.654 120.171 119.600 -0.139 0.000 2.080 342 M HA -0.149 4.335 4.480 0.007 0.000 0.260 342 M C 2.084 178.357 176.300 -0.046 0.000 1.068 342 M CA 1.639 56.945 55.300 0.011 0.000 1.109 342 M CB -0.702 31.941 32.600 0.072 0.000 1.342 342 M HN 0.024 nan 8.290 nan 0.000 0.405 343 S N 0.341 115.992 115.700 -0.081 0.000 2.382 343 S HA -0.074 4.400 4.470 0.007 0.000 0.228 343 S C 1.946 176.477 174.600 -0.115 0.000 1.027 343 S CA 1.201 59.358 58.200 -0.072 0.000 0.991 343 S CB -0.376 62.764 63.200 -0.099 0.000 0.823 343 S HN 0.506 nan 8.310 nan 0.000 0.469 344 I N 0.688 121.104 120.570 -0.257 0.000 2.163 344 I HA -0.199 3.975 4.170 0.007 0.000 0.243 344 I C 1.793 177.880 176.117 -0.049 0.000 1.085 344 I CA 1.310 62.460 61.300 -0.250 0.000 1.347 344 I CB -0.453 37.296 38.000 -0.419 0.000 1.044 344 I HN 0.227 nan 8.210 nan 0.000 0.408 345 F N 1.156 121.172 119.950 0.110 0.000 2.269 345 F HA -0.132 4.400 4.527 0.007 0.000 0.301 345 F C 2.372 178.209 175.800 0.062 0.000 1.082 345 F CA 0.961 59.024 58.000 0.105 0.000 1.360 345 F CB -1.065 38.021 39.000 0.143 0.000 1.041 345 F HN -0.042 nan 8.300 nan 0.000 0.512 346 K N 0.380 120.889 120.400 0.183 0.000 2.097 346 K HA -0.097 4.227 4.320 0.007 0.000 0.205 346 K C 2.086 178.726 176.600 0.065 0.000 1.050 346 K CA 1.256 57.605 56.287 0.103 0.000 0.938 346 K CB -0.339 32.209 32.500 0.079 0.000 0.718 346 K HN 0.228 nan 8.250 nan 0.000 0.442 347 I N 1.037 121.707 120.570 0.167 0.000 2.179 347 I HA -0.292 3.883 4.170 0.007 0.000 0.242 347 I C 2.041 178.348 176.117 0.316 0.000 1.088 347 I CA 0.837 62.342 61.300 0.342 0.000 1.357 347 I CB -0.241 37.925 38.000 0.276 0.000 1.051 347 I HN 0.111 nan 8.210 nan 0.000 0.409 348 I N 1.145 121.861 120.570 0.243 0.000 2.142 348 I HA -0.282 3.893 4.170 0.007 0.000 0.240 348 I C 2.873 179.095 176.117 0.174 0.000 1.078 348 I CA 1.867 63.302 61.300 0.225 0.000 1.343 348 I CB -1.667 36.379 38.000 0.077 0.000 1.046 348 I HN 0.189 nan 8.210 nan 0.000 0.405 349 A N 0.864 123.709 122.820 0.042 0.000 1.908 349 A HA -0.128 4.196 4.320 0.007 0.000 0.218 349 A C 2.505 179.978 177.584 -0.185 0.000 1.181 349 A CA 1.982 53.938 52.037 -0.136 0.000 0.627 349 A CB -1.385 17.600 19.000 -0.024 0.000 0.818 349 A HN 0.452 nan 8.150 nan 0.000 0.445 350 G N -0.185 108.507 108.800 -0.179 0.000 2.422 350 G HA2 -0.163 3.802 3.960 0.007 0.000 0.218 350 G HA3 -0.163 3.802 3.960 0.007 0.000 0.218 350 G C 1.510 176.455 174.900 0.074 0.000 1.146 350 G CA 1.056 45.892 45.100 -0.440 0.000 0.769 350 G HN 0.483 nan 8.290 nan 0.000 0.547 351 I N 0.343 121.122 120.570 0.349 0.000 2.179 351 I HA -0.158 4.016 4.170 0.007 0.000 0.242 351 I C 2.725 179.003 176.117 0.269 0.000 1.088 351 I CA 0.737 62.316 61.300 0.466 0.000 1.357 351 I CB -0.182 38.165 38.000 0.579 0.000 1.051 351 I HN 0.134 nan 8.210 nan 0.000 0.409 352 L N -0.329 120.914 121.223 0.033 0.000 2.012 352 L HA -0.276 4.069 4.340 0.007 0.000 0.210 352 L C 2.579 179.353 176.870 -0.160 0.000 1.073 352 L CA 1.749 56.430 54.840 -0.265 0.000 0.748 352 L CB -1.029 40.474 42.059 -0.928 0.000 0.891 352 L HN 0.326 nan 8.230 nan 0.000 0.431 353 H N -0.367 118.704 119.070 0.002 0.000 2.352 353 H HA -0.180 4.380 4.556 0.007 0.000 0.299 353 H C 2.356 177.706 175.328 0.037 0.000 1.097 353 H CA 1.337 57.422 56.048 0.062 0.000 1.311 353 H CB -0.081 29.688 29.762 0.011 0.000 1.377 353 H HN 0.212 nan 8.280 nan 0.000 0.504 354 L N -0.321 121.036 121.223 0.222 0.000 2.042 354 L HA -0.148 4.196 4.340 0.007 0.000 0.210 354 L C 2.776 179.651 176.870 0.009 0.000 1.076 354 L CA 1.143 56.103 54.840 0.200 0.000 0.749 354 L CB -0.615 41.659 42.059 0.359 0.000 0.893 354 L HN 0.412 nan 8.230 nan 0.000 0.432 355 G N -0.724 107.918 108.800 -0.262 0.000 2.509 355 G HA2 -0.203 3.761 3.960 0.007 0.000 0.218 355 G HA3 -0.203 3.761 3.960 0.007 0.000 0.218 355 G C 1.275 175.892 174.900 -0.472 0.000 1.124 355 G CA 0.386 44.928 45.100 -0.930 0.000 0.776 355 G HN 0.312 nan 8.290 nan 0.000 0.547 356 N N 0.092 118.668 118.700 -0.208 0.000 2.412 356 N HA 0.134 4.878 4.740 0.007 0.000 0.184 356 N C 0.756 176.188 175.510 -0.131 0.000 1.101 356 N CA -0.223 52.760 53.050 -0.112 0.000 0.881 356 N CB 0.161 38.650 38.487 0.003 0.000 0.969 356 N HN 0.276 nan 8.380 nan 0.000 0.459 357 I N 1.413 121.884 120.570 -0.166 0.000 2.741 357 I HA -0.118 4.056 4.170 0.007 0.000 0.288 357 I C 0.817 176.694 176.117 -0.400 0.000 1.192 357 I CA 0.435 61.550 61.300 -0.309 0.000 1.426 357 I CB 0.266 38.025 38.000 -0.402 0.000 1.367 357 I HN -0.098 nan 8.210 nan 0.000 0.563 358 K N 7.640 127.827 120.400 -0.355 0.000 2.316 358 K HA 0.385 4.709 4.320 0.007 0.000 0.267 358 K C -1.050 175.379 176.600 -0.285 0.000 1.025 358 K CA -0.575 55.561 56.287 -0.253 0.000 0.896 358 K CB 0.667 33.101 32.500 -0.110 0.000 1.124 358 K HN 0.208 nan 8.250 nan 0.000 0.451 359 F N 2.692 122.662 119.950 0.033 0.000 2.456 359 F HA 0.226 4.757 4.527 0.007 0.000 0.358 359 F C 0.601 176.418 175.800 0.028 0.000 1.095 359 F CA -0.003 58.020 58.000 0.038 0.000 1.216 359 F CB 0.923 39.951 39.000 0.048 0.000 1.125 359 F HN 0.477 nan 8.300 nan 0.000 0.549 360 E N 1.380 121.702 120.200 0.204 0.000 2.312 360 E HA 0.256 4.610 4.350 0.007 0.000 0.267 360 E C -0.926 175.739 176.600 0.108 0.000 0.894 360 E CA -1.313 55.159 56.400 0.120 0.000 0.773 360 E CB 2.098 31.839 29.700 0.069 0.000 1.241 360 E HN 0.411 nan 8.360 nan 0.000 0.432 361 K N 0.602 121.041 120.400 0.064 0.000 2.401 361 K HA 0.177 4.501 4.320 0.007 0.000 0.278 361 K C 0.284 176.905 176.600 0.035 0.000 1.018 361 K CA 0.222 56.528 56.287 0.032 0.000 0.981 361 K CB 0.415 32.924 32.500 0.014 0.000 0.933 361 K HN 0.671 nan 8.250 nan 0.000 0.477 362 G N 2.088 110.907 108.800 0.031 0.000 3.863 362 G HA2 0.534 4.498 3.960 0.007 0.000 0.290 362 G HA3 0.534 4.498 3.960 0.007 0.000 0.290 362 G C -0.443 174.475 174.900 0.030 0.000 1.018 362 G CA 0.367 45.493 45.100 0.042 0.000 0.824 362 G HN 0.946 nan 8.290 nan 0.000 0.507 363 A N -1.546 121.280 122.820 0.010 0.000 2.307 363 A HA 0.421 4.745 4.320 0.007 0.000 0.296 363 A C 1.504 179.075 177.584 -0.022 0.000 0.973 363 A CA 0.132 52.172 52.037 0.004 0.000 0.513 363 A CB -1.030 17.983 19.000 0.021 0.000 1.667 363 A HN 1.518 nan 8.150 nan 0.000 0.703 364 G N -0.326 108.461 108.800 -0.023 0.000 3.484 364 G HA2 0.074 4.038 3.960 0.007 0.000 0.219 364 G HA3 0.074 4.038 3.960 0.007 0.000 0.219 364 G C 0.541 175.393 174.900 -0.080 0.000 1.084 364 G CA 2.294 47.370 45.100 -0.040 0.000 0.668 364 G HN 1.855 nan 8.290 nan 0.000 0.678 365 E N -1.904 118.226 120.200 -0.118 0.000 3.375 365 E HA 0.002 4.357 4.350 0.007 0.000 0.160 365 E C 0.923 177.303 176.600 -0.367 0.000 1.617 365 E CA 0.578 56.867 56.400 -0.184 0.000 0.787 365 E CB -1.267 28.370 29.700 -0.105 0.000 1.087 365 E HN 1.707 nan 8.360 nan 0.000 0.375 366 G N 1.607 109.903 108.800 -0.841 0.000 2.484 366 G HA2 0.251 4.215 3.960 0.007 0.000 0.225 366 G HA3 0.251 4.215 3.960 0.007 0.000 0.225 366 G C 0.028 174.720 174.900 -0.346 0.000 1.250 366 G CA 0.670 45.418 45.100 -0.587 0.000 0.926 366 G HN 1.982 nan 8.290 nan 0.000 0.581 367 A N -2.537 120.258 122.820 -0.043 0.000 2.429 367 A HA 0.530 4.854 4.320 0.007 0.000 0.684 367 A C 0.795 178.534 177.584 0.258 0.000 0.143 367 A CA 1.389 53.501 52.037 0.124 0.000 0.046 367 A CB -1.811 17.233 19.000 0.073 0.000 3.961 367 A HN 2.722 nan 8.150 nan 0.000 0.546 368 V N 0.250 120.305 119.914 0.236 0.000 3.206 368 V HA 0.932 5.056 4.120 0.007 0.000 0.305 368 V C -0.655 175.547 176.094 0.179 0.000 1.257 368 V CA -1.327 61.099 62.300 0.210 0.000 1.057 368 V CB 2.062 33.971 31.823 0.144 0.000 1.075 368 V HN 1.585 nan 8.190 nan 0.000 0.443 369 L N 1.872 123.165 121.223 0.117 0.000 2.294 369 L HA 0.596 4.941 4.340 0.007 0.000 0.283 369 L C 0.906 177.787 176.870 0.019 0.000 1.015 369 L CA 0.022 54.886 54.840 0.040 0.000 0.831 369 L CB 1.046 43.112 42.059 0.012 0.000 1.217 369 L HN 0.862 nan 8.230 nan 0.000 0.420 370 K N 0.702 121.106 120.400 0.006 0.000 2.098 370 K HA 0.052 4.376 4.320 0.007 0.000 0.203 370 K C 0.181 176.771 176.600 -0.016 0.000 1.051 370 K CA 0.478 56.766 56.287 0.001 0.000 0.957 370 K CB 0.315 32.817 32.500 0.004 0.000 0.738 370 K HN 0.420 nan 8.250 nan 0.000 0.447 371 D N 0.541 120.921 120.400 -0.034 0.000 2.193 371 D HA 0.128 4.772 4.640 0.007 0.000 0.244 371 D C -0.206 176.059 176.300 -0.058 0.000 1.064 371 D CA -0.143 53.831 54.000 -0.044 0.000 0.845 371 D CB 1.686 42.455 40.800 -0.051 0.000 1.148 371 D HN -0.268 nan 8.370 nan 0.000 0.464 372 K N 1.124 121.491 120.400 -0.055 0.000 2.358 372 K HA 0.162 4.486 4.320 0.007 0.000 0.197 372 K C 1.503 178.053 176.600 -0.083 0.000 1.025 372 K CA 0.156 56.406 56.287 -0.061 0.000 1.104 372 K CB 0.387 32.860 32.500 -0.045 0.000 0.855 372 K HN 0.347 nan 8.250 nan 0.000 0.531 373 T N -0.045 114.456 114.554 -0.088 0.000 2.720 373 T HA -0.196 4.158 4.350 0.007 0.000 0.268 373 T C 1.825 176.432 174.700 -0.154 0.000 1.037 373 T CA 1.643 63.674 62.100 -0.116 0.000 1.144 373 T CB -0.179 68.633 68.868 -0.093 0.000 0.864 373 T HN 0.303 nan 8.240 nan 0.000 0.444 374 A N 1.017 123.768 122.820 -0.114 0.000 1.897 374 A HA 0.112 4.436 4.320 0.007 0.000 0.215 374 A C 2.258 179.790 177.584 -0.086 0.000 1.181 374 A CA 1.085 53.070 52.037 -0.087 0.000 0.620 374 A CB -0.829 18.147 19.000 -0.040 0.000 0.821 374 A HN 0.412 nan 8.150 nan 0.000 0.443 375 L N 0.471 121.649 121.223 -0.075 0.000 2.013 375 L HA -0.256 4.089 4.340 0.007 0.000 0.212 375 L C 1.885 178.720 176.870 -0.058 0.000 1.073 375 L CA 2.580 57.400 54.840 -0.034 0.000 0.753 375 L CB -0.581 41.461 42.059 -0.029 0.000 0.890 375 L HN 0.356 nan 8.230 nan 0.000 0.432 376 N N -0.033 118.598 118.700 -0.115 0.000 2.142 376 N HA -0.087 4.657 4.740 0.007 0.000 0.186 376 N C 1.833 177.199 175.510 -0.241 0.000 1.023 376 N CA 1.488 54.452 53.050 -0.144 0.000 0.852 376 N CB -0.616 37.784 38.487 -0.145 0.000 0.998 376 N HN 0.549 nan 8.380 nan 0.000 0.424 377 A N 1.006 123.583 122.820 -0.405 0.000 1.865 377 A HA -0.088 4.236 4.320 0.007 0.000 0.217 377 A C 2.339 179.668 177.584 -0.425 0.000 1.191 377 A CA 2.272 53.882 52.037 -0.712 0.000 0.623 377 A CB -1.228 17.058 19.000 -1.190 0.000 0.826 377 A HN 0.314 nan 8.150 nan 0.000 0.444 378 A N -0.490 122.194 122.820 -0.226 0.000 1.892 378 A HA -0.141 4.184 4.320 0.007 0.000 0.218 378 A C 2.462 180.045 177.584 -0.002 0.000 1.188 378 A CA 2.409 54.417 52.037 -0.049 0.000 0.631 378 A CB -1.077 18.045 19.000 0.203 0.000 0.822 378 A HN 0.521 nan 8.150 nan 0.000 0.447 379 S N -0.451 115.270 115.700 0.036 0.000 2.368 379 S HA -0.144 4.330 4.470 0.007 0.000 0.225 379 S C 2.030 176.636 174.600 0.012 0.000 1.030 379 S CA 1.790 60.019 58.200 0.049 0.000 0.999 379 S CB -0.693 62.499 63.200 -0.013 0.000 0.844 379 S HN 0.712 nan 8.310 nan 0.000 0.459 380 T N 1.987 116.514 114.554 -0.045 0.000 2.674 380 T HA -0.057 4.297 4.350 0.007 0.000 0.265 380 T C 1.931 176.639 174.700 0.012 0.000 1.039 380 T CA 1.255 63.346 62.100 -0.015 0.000 1.150 380 T CB -0.488 68.372 68.868 -0.013 0.000 0.864 380 T HN 0.166 nan 8.240 nan 0.000 0.427 381 V N 0.573 120.467 119.914 -0.033 0.000 2.427 381 V HA -0.072 4.053 4.120 0.007 0.000 0.248 381 V C 2.043 178.130 176.094 -0.012 0.000 1.051 381 V CA 1.457 63.732 62.300 -0.041 0.000 1.048 381 V CB -0.619 31.152 31.823 -0.087 0.000 0.666 381 V HN 0.403 nan 8.190 nan 0.000 0.456 382 F N 0.661 120.668 119.950 0.096 0.000 2.558 382 F HA 0.289 4.822 4.527 0.010 0.000 0.298 382 F C 1.927 177.723 175.800 -0.008 0.000 1.119 382 F CA 0.644 58.696 58.000 0.087 0.000 1.451 382 F CB -0.852 38.230 39.000 0.137 0.000 1.091 382 F HN 0.286 nan 8.300 nan 0.000 0.563 383 G N 0.851 109.729 108.800 0.131 0.000 2.182 383 G HA2 -0.114 3.850 3.960 0.007 0.000 0.248 383 G HA3 -0.114 3.850 3.960 0.007 0.000 0.248 383 G C -0.065 174.804 174.900 -0.051 0.000 1.042 383 G CA 0.139 45.259 45.100 0.032 0.000 0.775 383 G HN 0.541 nan 8.290 nan 0.000 0.501 384 V N -3.362 116.494 119.914 -0.096 0.000 3.113 384 V HA 0.846 4.970 4.120 0.007 0.000 0.316 384 V C 0.279 176.280 176.094 -0.156 0.000 1.125 384 V CA -1.747 60.413 62.300 -0.233 0.000 1.026 384 V CB 2.056 33.532 31.823 -0.578 0.000 1.080 384 V HN 0.227 nan 8.190 nan 0.000 0.444 385 N N 2.937 121.538 118.700 -0.166 0.000 2.401 385 N HA 0.390 5.134 4.740 0.007 0.000 0.255 385 N C -1.444 174.010 175.510 -0.094 0.000 1.110 385 N CA -2.202 50.784 53.050 -0.106 0.000 0.949 385 N CB 1.407 39.840 38.487 -0.090 0.000 1.110 385 N HN 0.536 nan 8.380 nan 0.000 0.490 386 P HA -0.157 nan 4.420 nan 0.000 0.218 386 P C 1.084 178.370 177.300 -0.024 0.000 1.148 386 P CA 1.178 64.255 63.100 -0.038 0.000 0.822 386 P CB 0.173 31.852 31.700 -0.035 0.000 0.784 387 S N -0.770 114.913 115.700 -0.028 0.000 2.387 387 S HA -0.071 4.403 4.470 0.007 0.000 0.226 387 S C 2.067 176.655 174.600 -0.020 0.000 1.026 387 S CA 1.083 59.272 58.200 -0.019 0.000 0.972 387 S CB -1.630 61.557 63.200 -0.021 0.000 0.814 387 S HN -0.028 nan 8.310 nan 0.000 0.477 388 V N 1.808 121.699 119.914 -0.038 0.000 2.358 388 V HA -0.073 4.051 4.120 0.007 0.000 0.246 388 V C 2.520 178.597 176.094 -0.029 0.000 1.047 388 V CA 1.609 63.883 62.300 -0.043 0.000 1.035 388 V CB -0.915 30.865 31.823 -0.072 0.000 0.658 388 V HN 0.461 nan 8.190 nan 0.000 0.452 389 L N 0.576 121.775 121.223 -0.040 0.000 2.012 389 L HA -0.201 4.144 4.340 0.007 0.000 0.210 389 L C 2.426 179.345 176.870 0.081 0.000 1.073 389 L CA 2.399 57.249 54.840 0.017 0.000 0.748 389 L CB -0.936 41.128 42.059 0.009 0.000 0.891 389 L HN 0.470 nan 8.230 nan 0.000 0.431 390 E N -0.637 119.603 120.200 0.067 0.000 2.070 390 E HA -0.281 4.073 4.350 0.007 0.000 0.197 390 E C 2.167 178.818 176.600 0.086 0.000 1.004 390 E CA 1.746 58.203 56.400 0.096 0.000 0.805 390 E CB -0.047 29.688 29.700 0.058 0.000 0.744 390 E HN 0.499 nan 8.360 nan 0.000 0.451 391 K N -0.418 120.006 120.400 0.039 0.000 2.103 391 K HA -0.042 4.282 4.320 0.007 0.000 0.204 391 K C 2.104 178.721 176.600 0.029 0.000 1.052 391 K CA 0.762 57.058 56.287 0.015 0.000 0.945 391 K CB -0.011 32.483 32.500 -0.009 0.000 0.722 391 K HN 0.125 nan 8.250 nan 0.000 0.443 392 A N 1.385 124.232 122.820 0.045 0.000 1.969 392 A HA -0.105 4.219 4.320 0.007 0.000 0.218 392 A C 2.078 179.707 177.584 0.074 0.000 1.169 392 A CA 1.109 53.180 52.037 0.057 0.000 0.635 392 A CB -0.478 18.563 19.000 0.069 0.000 0.810 392 A HN 0.133 nan 8.150 nan 0.000 0.445 393 L N -1.828 119.460 121.223 0.108 0.000 2.027 393 L HA -0.097 4.247 4.340 0.007 0.000 0.206 393 L C 2.697 179.578 176.870 0.019 0.000 1.074 393 L CA 1.614 56.519 54.840 0.108 0.000 0.745 393 L CB -0.257 41.958 42.059 0.260 0.000 0.898 393 L HN 0.386 nan 8.230 nan 0.000 0.433 394 M N -1.937 117.696 119.600 0.054 0.000 2.491 394 M HA 0.082 4.566 4.480 0.007 0.000 0.259 394 M C -0.065 176.274 176.300 0.065 0.000 1.163 394 M CA 0.548 55.877 55.300 0.048 0.000 1.109 394 M CB 0.822 33.505 32.600 0.139 0.000 1.353 394 M HN 0.016 nan 8.290 nan 0.000 0.500 395 E N 1.440 121.644 120.200 0.007 0.000 3.651 395 E HA 0.229 4.584 4.350 0.007 0.000 0.220 395 E C -2.484 174.115 176.600 -0.002 0.000 1.222 395 E CA -1.583 54.804 56.400 -0.021 0.000 1.114 395 E CB 0.867 30.496 29.700 -0.118 0.000 1.278 395 E HN 0.099 nan 8.360 nan 0.000 0.412 396 P HA 0.097 nan 4.420 nan 0.000 0.275 396 P C -0.384 176.925 177.300 0.016 0.000 1.228 396 P CA -0.295 62.816 63.100 0.019 0.000 0.786 396 P CB 0.953 32.668 31.700 0.025 0.000 0.927 397 R N 2.530 123.039 120.500 0.015 0.000 2.298 397 R HA 0.485 4.830 4.340 0.007 0.000 0.310 397 R C 0.077 176.387 176.300 0.017 0.000 1.068 397 R CA -0.386 55.722 56.100 0.013 0.000 0.957 397 R CB 0.239 30.545 30.300 0.010 0.000 1.003 397 R HN 0.506 nan 8.270 nan 0.000 0.454 398 I N 3.314 123.894 120.570 0.017 0.000 2.474 398 I HA 0.176 4.350 4.170 0.007 0.000 0.294 398 I C -0.252 175.874 176.117 0.015 0.000 1.005 398 I CA -0.987 60.323 61.300 0.017 0.000 1.113 398 I CB 1.819 39.831 38.000 0.019 0.000 1.289 398 I HN 0.303 nan 8.210 nan 0.000 0.436 399 L N 6.146 127.377 121.223 0.014 0.000 2.410 399 L HA 0.451 4.795 4.340 0.007 0.000 0.273 399 L C -0.074 176.803 176.870 0.012 0.000 1.144 399 L CA 0.271 55.118 54.840 0.012 0.000 0.863 399 L CB 0.703 42.768 42.059 0.011 0.000 1.140 399 L HN 0.804 nan 8.230 nan 0.000 0.463 400 A N 4.362 127.189 122.820 0.012 0.000 2.745 400 A HA 0.611 4.935 4.320 0.007 0.000 0.301 400 A C 0.527 178.118 177.584 0.011 0.000 1.188 400 A CA 0.232 52.276 52.037 0.013 0.000 0.746 400 A CB 0.499 19.507 19.000 0.014 0.000 1.207 400 A HN 1.357 nan 8.150 nan 0.000 0.432 401 G N 2.915 111.721 108.800 0.010 0.000 2.609 401 G HA2 -0.351 3.614 3.960 0.007 0.000 0.288 401 G HA3 -0.351 3.614 3.960 0.007 0.000 0.288 401 G C 0.952 175.857 174.900 0.008 0.000 1.211 401 G CA 0.771 45.877 45.100 0.009 0.000 0.963 401 G HN 1.491 nan 8.290 nan 0.000 0.541 402 R N 0.809 121.314 120.500 0.008 0.000 2.404 402 R HA 0.333 4.677 4.340 0.007 0.000 0.237 402 R C -0.755 175.550 176.300 0.008 0.000 0.907 402 R CA 0.287 56.391 56.100 0.008 0.000 1.063 402 R CB 0.380 30.684 30.300 0.007 0.000 1.134 402 R HN 0.386 nan 8.270 nan 0.000 0.529 403 D N 2.115 122.520 120.400 0.009 0.000 2.264 403 D HA 0.149 4.793 4.640 0.007 0.000 0.250 403 D C -0.896 175.410 176.300 0.009 0.000 1.113 403 D CA -0.397 53.609 54.000 0.009 0.000 0.871 403 D CB 2.013 42.818 40.800 0.009 0.000 1.167 403 D HN -0.025 nan 8.370 nan 0.000 0.447 404 L N 3.489 124.717 121.223 0.009 0.000 2.272 404 L HA 0.332 4.677 4.340 0.007 0.000 0.284 404 L C -1.245 175.630 176.870 0.009 0.000 1.045 404 L CA -0.446 54.400 54.840 0.010 0.000 0.842 404 L CB 0.917 42.981 42.059 0.009 0.000 1.224 404 L HN 0.104 nan 8.230 nan 0.000 0.430 405 V N 4.340 124.260 119.914 0.011 0.000 2.656 405 V HA 0.688 4.812 4.120 0.007 0.000 0.307 405 V C 0.373 176.474 176.094 0.011 0.000 1.051 405 V CA -0.869 61.437 62.300 0.010 0.000 0.893 405 V CB 1.629 33.459 31.823 0.013 0.000 0.999 405 V HN 0.855 nan 8.190 nan 0.000 0.426 406 A N 4.478 127.302 122.820 0.007 0.000 2.524 406 A HA 0.421 4.745 4.320 0.007 0.000 0.250 406 A C 0.092 177.686 177.584 0.017 0.000 1.078 406 A CA -0.013 52.027 52.037 0.004 0.000 0.761 406 A CB -0.016 18.976 19.000 -0.013 0.000 1.012 406 A HN 0.714 nan 8.150 nan 0.000 0.500 407 Q N 1.805 121.622 119.800 0.029 0.000 2.325 407 Q HA 0.183 4.527 4.340 0.007 0.000 0.262 407 Q C -0.653 175.404 176.000 0.095 0.000 0.968 407 Q CA -0.209 55.626 55.803 0.053 0.000 0.877 407 Q CB 1.433 30.196 28.738 0.040 0.000 1.253 407 Q HN 0.877 nan 8.270 nan 0.000 0.448 408 H N 3.557 122.626 119.070 -0.002 0.000 3.015 408 H HA 0.235 4.796 4.556 0.008 0.000 0.268 408 H C -0.283 175.035 175.328 -0.016 0.000 1.113 408 H CA -0.277 55.768 56.048 -0.004 0.000 1.479 408 H CB 0.271 30.034 29.762 0.003 0.000 1.493 408 H HN 0.420 nan 8.280 nan 0.000 0.486 409 L N 4.352 125.686 121.223 0.184 0.000 2.417 409 L HA 0.065 4.409 4.340 0.007 0.000 0.268 409 L C 0.861 177.692 176.870 -0.065 0.000 1.158 409 L CA -0.814 54.037 54.840 0.018 0.000 0.819 409 L CB 0.541 42.583 42.059 -0.028 0.000 1.112 409 L HN 0.774 nan 8.230 nan 0.000 0.458 410 N N 1.469 120.112 118.700 -0.095 0.000 2.285 410 N HA 0.029 4.774 4.740 0.007 0.000 0.262 410 N C 0.696 176.145 175.510 -0.102 0.000 1.299 410 N CA -0.591 52.395 53.050 -0.107 0.000 0.930 410 N CB 0.236 38.678 38.487 -0.075 0.000 1.157 410 N HN 0.280 nan 8.380 nan 0.000 0.532 411 V N -0.454 119.428 119.914 -0.053 0.000 2.295 411 V HA -0.196 3.928 4.120 0.007 0.000 0.246 411 V C 2.466 178.529 176.094 -0.052 0.000 1.049 411 V CA 2.219 64.512 62.300 -0.013 0.000 1.024 411 V CB -1.015 30.853 31.823 0.074 0.000 0.648 411 V HN 0.837 nan 8.190 nan 0.000 0.447 412 E N 0.393 120.576 120.200 -0.028 0.000 2.072 412 E HA -0.239 4.115 4.350 0.007 0.000 0.191 412 E C 2.215 178.785 176.600 -0.050 0.000 0.985 412 E CA 1.348 57.740 56.400 -0.014 0.000 0.801 412 E CB -0.031 29.669 29.700 -0.000 0.000 0.750 412 E HN 0.581 nan 8.360 nan 0.000 0.452 413 K N 0.135 120.489 120.400 -0.075 0.000 2.155 413 K HA -0.000 4.324 4.320 0.007 0.000 0.203 413 K C 2.387 178.891 176.600 -0.160 0.000 1.052 413 K CA 0.948 57.186 56.287 -0.081 0.000 0.948 413 K CB 0.042 32.508 32.500 -0.058 0.000 0.728 413 K HN -0.022 nan 8.250 nan 0.000 0.448 414 S N 0.707 116.224 115.700 -0.304 0.000 2.356 414 S HA -0.153 4.321 4.470 0.007 0.000 0.223 414 S C 2.068 176.251 174.600 -0.695 0.000 1.032 414 S CA 1.434 59.242 58.200 -0.652 0.000 1.005 414 S CB -0.223 62.309 63.200 -1.112 0.000 0.867 414 S HN 0.295 nan 8.310 nan 0.000 0.449 415 S N 0.927 116.383 115.700 -0.406 0.000 2.382 415 S HA -0.071 4.404 4.470 0.007 0.000 0.228 415 S C 2.046 176.702 174.600 0.093 0.000 1.027 415 S CA 1.455 59.694 58.200 0.065 0.000 0.991 415 S CB -0.373 62.946 63.200 0.198 0.000 0.823 415 S HN 0.464 nan 8.310 nan 0.000 0.469 416 S N 0.455 116.168 115.700 0.022 0.000 2.383 416 S HA -0.052 4.422 4.470 0.007 0.000 0.227 416 S C 2.083 176.714 174.600 0.053 0.000 1.026 416 S CA 1.229 59.456 58.200 0.046 0.000 0.981 416 S CB -0.486 62.726 63.200 0.020 0.000 0.818 416 S HN 0.622 nan 8.310 nan 0.000 0.472 417 S N 1.294 117.001 115.700 0.012 0.000 2.387 417 S HA -0.044 4.430 4.470 0.007 0.000 0.226 417 S C 2.097 176.754 174.600 0.095 0.000 1.026 417 S CA 0.651 58.870 58.200 0.032 0.000 0.972 417 S CB -0.250 62.943 63.200 -0.011 0.000 0.814 417 S HN 0.381 nan 8.310 nan 0.000 0.477 418 R N 1.047 121.633 120.500 0.143 0.000 2.081 418 R HA -0.102 4.242 4.340 0.007 0.000 0.235 418 R C 1.307 177.757 176.300 0.250 0.000 1.131 418 R CA 2.051 58.312 56.100 0.269 0.000 0.960 418 R CB -1.041 29.544 30.300 0.476 0.000 0.856 418 R HN 0.359 nan 8.270 nan 0.000 0.436 419 D N 0.476 121.012 120.400 0.226 0.000 2.144 419 D HA -0.095 4.550 4.640 0.007 0.000 0.199 419 D C 1.743 178.122 176.300 0.132 0.000 0.984 419 D CA 1.589 55.708 54.000 0.198 0.000 0.834 419 D CB -0.243 40.654 40.800 0.161 0.000 0.955 419 D HN 0.368 nan 8.370 nan 0.000 0.465 420 A N 0.555 123.439 122.820 0.107 0.000 1.933 420 A HA -0.133 4.191 4.320 0.007 0.000 0.218 420 A C 2.116 179.747 177.584 0.077 0.000 1.175 420 A CA 0.989 53.074 52.037 0.080 0.000 0.628 420 A CB -0.633 18.405 19.000 0.064 0.000 0.814 420 A HN 0.268 nan 8.150 nan 0.000 0.444 421 L N -0.154 121.122 121.223 0.089 0.000 2.017 421 L HA -0.091 4.254 4.340 0.007 0.000 0.208 421 L C 2.343 179.246 176.870 0.055 0.000 1.073 421 L CA 1.912 56.779 54.840 0.045 0.000 0.745 421 L CB -0.671 41.419 42.059 0.051 0.000 0.894 421 L HN 0.129 nan 8.230 nan 0.000 0.432 422 V N 0.084 120.084 119.914 0.143 0.000 2.255 422 V HA -0.331 3.793 4.120 0.007 0.000 0.247 422 V C 2.639 178.834 176.094 0.167 0.000 1.051 422 V CA 2.281 64.700 62.300 0.199 0.000 1.018 422 V CB -0.643 31.337 31.823 0.261 0.000 0.641 422 V HN 0.493 nan 8.190 nan 0.000 0.445 423 K N 0.078 120.548 120.400 0.117 0.000 2.103 423 K HA -0.151 4.174 4.320 0.007 0.000 0.207 423 K C 2.258 178.927 176.600 0.115 0.000 1.048 423 K CA 1.477 57.836 56.287 0.120 0.000 0.930 423 K CB -0.413 32.137 32.500 0.083 0.000 0.716 423 K HN 0.495 nan 8.250 nan 0.000 0.444 424 A N 1.408 124.264 122.820 0.059 0.000 1.898 424 A HA -0.116 4.208 4.320 0.007 0.000 0.216 424 A C 2.133 179.685 177.584 -0.053 0.000 1.181 424 A CA 1.153 53.184 52.037 -0.011 0.000 0.620 424 A CB -0.567 18.407 19.000 -0.043 0.000 0.819 424 A HN 0.145 nan 8.150 nan 0.000 0.442 425 L N -2.393 118.825 121.223 -0.009 0.000 2.046 425 L HA -0.203 4.141 4.340 0.007 0.000 0.208 425 L C 2.564 179.474 176.870 0.065 0.000 1.077 425 L CA 1.792 56.628 54.840 -0.007 0.000 0.747 425 L CB -0.559 41.522 42.059 0.037 0.000 0.896 425 L HN 0.552 nan 8.230 nan 0.000 0.432 426 Y N 0.456 120.793 120.300 0.063 0.000 2.133 426 Y HA -0.180 4.374 4.550 0.006 0.000 0.287 426 Y C 2.402 178.327 175.900 0.042 0.000 1.134 426 Y CA 1.651 59.804 58.100 0.089 0.000 1.133 426 Y CB -0.651 37.888 38.460 0.132 0.000 0.987 426 Y HN 0.097 nan 8.280 nan 0.000 0.502 427 G N -0.136 108.749 108.800 0.142 0.000 2.446 427 G HA2 -0.280 3.684 3.960 0.007 0.000 0.217 427 G HA3 -0.280 3.684 3.960 0.007 0.000 0.217 427 G C 1.736 176.641 174.900 0.009 0.000 1.168 427 G CA 1.092 46.231 45.100 0.065 0.000 0.771 427 G HN 0.344 nan 8.290 nan 0.000 0.551 428 R N -0.392 120.072 120.500 -0.060 0.000 2.075 428 R HA 0.168 4.512 4.340 0.007 0.000 0.232 428 R C 2.561 178.823 176.300 -0.062 0.000 1.126 428 R CA 0.686 56.728 56.100 -0.098 0.000 0.963 428 R CB -0.572 29.579 30.300 -0.249 0.000 0.858 428 R HN 0.312 nan 8.270 nan 0.000 0.435 429 L N 0.297 121.455 121.223 -0.109 0.000 2.012 429 L HA -0.222 4.122 4.340 0.007 0.000 0.210 429 L C 2.206 179.001 176.870 -0.124 0.000 1.073 429 L CA 1.601 56.364 54.840 -0.129 0.000 0.748 429 L CB -0.265 41.648 42.059 -0.243 0.000 0.891 429 L HN 0.139 nan 8.230 nan 0.000 0.431 430 F N 0.125 119.865 119.950 -0.350 0.000 2.134 430 F HA -0.267 4.264 4.527 0.006 0.000 0.299 430 F C 2.314 177.969 175.800 -0.241 0.000 1.097 430 F CA 1.495 59.274 58.000 -0.369 0.000 1.264 430 F CB -0.131 38.649 39.000 -0.366 0.000 1.001 430 F HN -0.027 nan 8.300 nan 0.000 0.479 431 L N -1.383 119.831 121.223 -0.015 0.000 2.046 431 L HA -0.257 4.088 4.340 0.007 0.000 0.208 431 L C 2.320 179.121 176.870 -0.115 0.000 1.077 431 L CA 1.865 56.661 54.840 -0.073 0.000 0.747 431 L CB -0.933 41.121 42.059 -0.008 0.000 0.896 431 L HN 0.443 nan 8.230 nan 0.000 0.432 432 W N 0.824 121.996 121.300 -0.214 0.000 2.318 432 W HA -0.260 4.405 4.660 0.007 0.000 0.313 432 W C 2.354 178.748 176.519 -0.208 0.000 1.221 432 W CA 1.662 58.893 57.345 -0.190 0.000 1.266 432 W CB -0.288 29.073 29.460 -0.165 0.000 1.150 432 W HN -0.003 nan 8.180 nan 0.000 0.496 433 L N -0.616 120.489 121.223 -0.197 0.000 2.017 433 L HA -0.281 4.063 4.340 0.007 0.000 0.208 433 L C 2.324 178.931 176.870 -0.438 0.000 1.073 433 L CA 1.454 56.067 54.840 -0.378 0.000 0.745 433 L CB -1.409 40.296 42.059 -0.590 0.000 0.894 433 L HN -0.140 nan 8.230 nan 0.000 0.432 434 V N -0.110 119.497 119.914 -0.510 0.000 2.255 434 V HA -0.320 3.804 4.120 0.007 0.000 0.247 434 V C 2.518 178.403 176.094 -0.348 0.000 1.051 434 V CA 1.851 63.896 62.300 -0.425 0.000 1.018 434 V CB -0.535 31.039 31.823 -0.415 0.000 0.641 434 V HN 0.411 nan 8.190 nan 0.000 0.445 435 K N -0.338 119.846 120.400 -0.360 0.000 2.063 435 K HA -0.186 4.138 4.320 0.007 0.000 0.208 435 K C 2.331 178.668 176.600 -0.439 0.000 1.048 435 K CA 1.202 57.280 56.287 -0.347 0.000 0.928 435 K CB -0.213 32.098 32.500 -0.315 0.000 0.713 435 K HN 0.303 nan 8.250 nan 0.000 0.442 436 K N 0.911 120.930 120.400 -0.635 0.000 2.032 436 K HA -0.118 4.206 4.320 0.007 0.000 0.209 436 K C 2.150 178.416 176.600 -0.557 0.000 1.048 436 K CA 1.285 57.128 56.287 -0.739 0.000 0.927 436 K CB -0.362 31.474 32.500 -1.107 0.000 0.712 436 K HN 0.186 nan 8.250 nan 0.000 0.441 437 I N 1.789 122.124 120.570 -0.393 0.000 2.226 437 I HA -0.306 3.868 4.170 0.007 0.000 0.245 437 I C 1.875 177.844 176.117 -0.248 0.000 1.100 437 I CA 1.046 62.185 61.300 -0.268 0.000 1.374 437 I CB -0.368 37.537 38.000 -0.159 0.000 1.057 437 I HN 0.146 nan 8.210 nan 0.000 0.413 438 N N 1.126 119.679 118.700 -0.246 0.000 2.104 438 N HA -0.195 4.549 4.740 0.007 0.000 0.190 438 N C 1.482 176.872 175.510 -0.201 0.000 1.024 438 N CA 1.520 54.448 53.050 -0.203 0.000 0.853 438 N CB -0.788 37.585 38.487 -0.190 0.000 1.008 438 N HN 0.472 nan 8.380 nan 0.000 0.424 439 N N -0.069 118.487 118.700 -0.241 0.000 2.149 439 N HA -0.112 4.633 4.740 0.007 0.000 0.188 439 N C 1.545 176.930 175.510 -0.209 0.000 1.019 439 N CA 0.875 53.791 53.050 -0.224 0.000 0.857 439 N CB 0.118 38.443 38.487 -0.269 0.000 0.997 439 N HN 0.015 nan 8.380 nan 0.000 0.426 440 V N 0.981 120.752 119.914 -0.238 0.000 2.407 440 V HA -0.098 4.026 4.120 0.007 0.000 0.245 440 V C 1.971 177.974 176.094 -0.152 0.000 1.041 440 V CA 1.253 63.433 62.300 -0.201 0.000 1.040 440 V CB -0.272 31.413 31.823 -0.231 0.000 0.671 440 V HN 0.288 nan 8.190 nan 0.000 0.455 441 L N -0.930 120.203 121.223 -0.150 0.000 2.298 441 L HA 0.119 4.463 4.340 0.007 0.000 0.209 441 L C 1.411 178.212 176.870 -0.115 0.000 1.084 441 L CA 0.135 54.901 54.840 -0.124 0.000 0.816 441 L CB 0.040 42.026 42.059 -0.122 0.000 0.967 441 L HN 0.362 nan 8.230 nan 0.000 0.460 442 C N 1.241 120.469 119.300 -0.121 0.000 2.527 442 C HA 0.298 4.762 4.460 0.007 0.000 0.396 442 C C 0.487 175.423 174.990 -0.089 0.000 1.289 442 C CA -0.401 58.552 59.018 -0.108 0.000 2.047 442 C CB 0.350 28.020 27.740 -0.116 0.000 2.568 442 C HN 0.324 nan 8.230 nan 0.000 0.573 443 Q N 3.365 123.121 119.800 -0.073 0.000 2.347 443 Q HA 0.428 4.772 4.340 0.007 0.000 0.262 443 Q C 0.792 176.764 176.000 -0.047 0.000 0.980 443 Q CA 0.637 56.408 55.803 -0.053 0.000 0.867 443 Q CB 1.412 30.128 28.738 -0.036 0.000 1.242 443 Q HN 0.888 nan 8.270 nan 0.000 0.453 444 E N 2.830 123.002 120.200 -0.047 0.000 2.219 444 E HA -0.175 4.179 4.350 0.007 0.000 0.198 444 E C 0.945 177.528 176.600 -0.028 0.000 0.998 444 E CA 1.948 58.324 56.400 -0.040 0.000 0.818 444 E CB -0.601 29.075 29.700 -0.040 0.000 0.741 444 E HN 0.682 nan 8.360 nan 0.000 0.477 445 R N 1.383 121.870 120.500 -0.022 0.000 3.057 445 R HA 0.362 4.706 4.340 0.007 0.000 0.291 445 R C 0.421 176.719 176.300 -0.002 0.000 1.394 445 R CA 0.030 56.122 56.100 -0.014 0.000 1.630 445 R CB -0.724 29.569 30.300 -0.011 0.000 1.268 445 R HN 0.635 nan 8.270 nan 0.000 0.621 446 K N 0.149 120.553 120.400 0.007 0.000 2.237 446 K HA 0.578 4.903 4.320 0.007 0.000 0.270 446 K C 0.706 177.300 176.600 -0.011 0.000 1.015 446 K CA 0.287 56.598 56.287 0.039 0.000 0.949 446 K CB 1.877 34.430 32.500 0.089 0.000 0.976 446 K HN 0.088 nan 8.250 nan 0.000 0.472 447 A N 2.777 125.576 122.820 -0.034 0.000 1.911 447 A HA 0.116 4.440 4.320 0.007 0.000 0.212 447 A C -0.124 177.057 177.584 -0.672 0.000 1.189 447 A CA 0.650 52.499 52.037 -0.313 0.000 0.639 447 A CB -0.264 18.625 19.000 -0.186 0.000 0.839 447 A HN 0.730 nan 8.150 nan 0.000 0.449 448 Y N -2.311 118.107 120.300 0.197 0.000 2.638 448 Y HA 0.574 5.129 4.550 0.007 0.000 0.339 448 Y C -0.587 175.549 175.900 0.393 0.000 1.084 448 Y CA -1.395 56.813 58.100 0.180 0.000 1.068 448 Y CB 1.566 40.046 38.460 0.032 0.000 1.294 448 Y HN 0.325 nan 8.280 nan 0.000 0.480 449 F N -0.948 119.242 119.950 0.399 0.000 2.631 449 F HA 0.828 5.360 4.527 0.008 0.000 0.308 449 F C -2.069 173.943 175.800 0.353 0.000 1.097 449 F CA -1.604 56.639 58.000 0.406 0.000 0.952 449 F CB 1.141 40.270 39.000 0.214 0.000 1.307 449 F HN 0.253 nan 8.300 nan 0.000 0.450 450 I N 2.233 123.152 120.570 0.583 0.000 2.382 450 I HA 0.578 4.752 4.170 0.007 0.000 0.286 450 I C 0.210 176.581 176.117 0.423 0.000 1.002 450 I CA -0.853 60.678 61.300 0.385 0.000 1.135 450 I CB 1.724 39.935 38.000 0.352 0.000 1.288 450 I HN 0.975 nan 8.210 nan 0.000 0.448 451 G N 5.655 114.711 108.800 0.427 0.000 2.348 451 G HA2 0.580 4.544 3.960 0.007 0.000 0.312 451 G HA3 0.580 4.544 3.960 0.007 0.000 0.312 451 G C -0.799 174.123 174.900 0.037 0.000 1.126 451 G CA -0.307 44.823 45.100 0.049 0.000 0.865 451 G HN 0.336 nan 8.290 nan 0.000 0.474 452 V N 3.300 123.109 119.914 -0.175 0.000 2.378 452 V HA 0.352 4.477 4.120 0.007 0.000 0.288 452 V C -0.358 175.820 176.094 0.140 0.000 1.016 452 V CA -0.789 61.538 62.300 0.045 0.000 0.840 452 V CB 1.271 33.121 31.823 0.045 0.000 0.994 452 V HN 0.653 nan 8.190 nan 0.000 0.431 453 L N 4.343 125.757 121.223 0.319 0.000 2.289 453 L HA 0.698 5.042 4.340 0.007 0.000 0.285 453 L C -0.482 176.497 176.870 0.182 0.000 1.049 453 L CA 0.284 55.340 54.840 0.359 0.000 0.804 453 L CB 1.439 43.677 42.059 0.298 0.000 1.195 453 L HN 0.743 nan 8.230 nan 0.000 0.428 454 D N 6.215 126.704 120.400 0.148 0.000 2.420 454 D HA 0.432 5.077 4.640 0.007 0.000 0.255 454 D C -1.000 175.329 176.300 0.048 0.000 1.185 454 D CA -0.239 53.806 54.000 0.076 0.000 0.904 454 D CB 0.378 41.206 40.800 0.047 0.000 1.102 454 D HN 0.512 nan 8.370 nan 0.000 0.534 455 I N -0.707 119.884 120.570 0.036 0.000 2.994 455 I HA 0.580 4.754 4.170 0.007 0.000 0.306 455 I C -0.228 175.890 176.117 0.000 0.000 1.195 455 I CA -1.074 60.234 61.300 0.013 0.000 1.001 455 I CB 1.949 39.945 38.000 -0.006 0.000 1.244 455 I HN 0.127 nan 8.210 nan 0.000 0.437 456 S N 1.957 117.656 115.700 -0.002 0.000 2.568 456 S HA 0.464 4.938 4.470 0.007 0.000 0.282 456 S C 0.547 175.120 174.600 -0.045 0.000 1.338 456 S CA 0.411 58.610 58.200 -0.001 0.000 1.045 456 S CB 0.337 63.551 63.200 0.023 0.000 0.873 456 S HN 1.015 nan 8.310 nan 0.000 0.516 457 G N 2.409 111.193 108.800 -0.027 0.000 2.504 457 G HA2 0.427 4.392 3.960 0.007 0.000 0.257 457 G HA3 0.427 4.392 3.960 0.007 0.000 0.257 457 G C -0.550 174.291 174.900 -0.097 0.000 1.451 457 G CA -0.886 44.173 45.100 -0.067 0.000 1.059 457 G HN 0.662 nan 8.290 nan 0.000 0.550 458 F N 0.467 120.388 119.950 -0.049 0.000 2.607 458 F HA 0.148 4.679 4.527 0.007 0.000 0.374 458 F C 1.174 176.880 175.800 -0.157 0.000 1.104 458 F CA 0.885 58.821 58.000 -0.107 0.000 1.296 458 F CB 0.531 39.480 39.000 -0.083 0.000 1.085 458 F HN 0.205 nan 8.300 nan 0.000 0.584 459 E N 4.560 124.696 120.200 -0.106 0.000 2.114 459 E HA 0.431 4.785 4.350 0.007 0.000 0.266 459 E C -0.821 175.410 176.600 -0.615 0.000 0.896 459 E CA -0.358 55.769 56.400 -0.455 0.000 0.750 459 E CB 1.432 30.721 29.700 -0.685 0.000 1.121 459 E HN 0.431 nan 8.360 nan 0.000 0.413 460 I N 4.582 124.851 120.570 -0.501 0.000 2.563 460 I HA 0.287 4.461 4.170 0.007 0.000 0.276 460 I C -0.820 175.241 176.117 -0.094 0.000 1.074 460 I CA -0.497 60.613 61.300 -0.317 0.000 1.124 460 I CB 0.121 38.027 38.000 -0.156 0.000 1.225 460 I HN 0.297 nan 8.210 nan 0.000 0.482 461 F N 2.549 122.472 119.950 -0.044 0.000 2.461 461 F HA 0.398 4.929 4.527 0.007 0.000 0.337 461 F C 1.773 177.548 175.800 -0.041 0.000 1.079 461 F CA -1.192 56.792 58.000 -0.028 0.000 1.032 461 F CB 0.292 39.289 39.000 -0.004 0.000 1.327 461 F HN 0.004 nan 8.300 nan 0.000 0.491 462 K N -0.183 120.346 120.400 0.215 0.000 2.057 462 K HA 0.040 4.364 4.320 0.007 0.000 0.207 462 K C 0.348 177.002 176.600 0.090 0.000 1.049 462 K CA 0.977 57.321 56.287 0.096 0.000 0.931 462 K CB -0.412 32.123 32.500 0.058 0.000 0.714 462 K HN 0.371 nan 8.250 nan 0.000 0.440 463 V N 2.231 122.231 119.914 0.144 0.000 2.417 463 V HA 0.419 4.543 4.120 0.007 0.000 0.291 463 V C -1.538 174.671 176.094 0.192 0.000 1.024 463 V CA -1.024 61.357 62.300 0.135 0.000 0.861 463 V CB 1.421 33.319 31.823 0.125 0.000 0.985 463 V HN 0.395 nan 8.190 nan 0.000 0.436 464 N N 4.733 123.494 118.700 0.100 0.000 2.342 464 N HA 0.506 5.250 4.740 0.007 0.000 0.293 464 N C -0.625 175.096 175.510 0.351 0.000 1.026 464 N CA -0.281 52.846 53.050 0.128 0.000 0.857 464 N CB 2.096 40.475 38.487 -0.180 0.000 1.256 464 N HN 0.684 nan 8.380 nan 0.000 0.484 465 S N 0.374 116.326 115.700 0.420 0.000 2.921 465 S HA 0.380 4.854 4.470 0.007 0.000 0.315 465 S C 0.716 175.541 174.600 0.375 0.000 1.087 465 S CA -0.537 58.015 58.200 0.586 0.000 0.877 465 S CB 0.360 63.816 63.200 0.428 0.000 1.340 465 S HN 0.412 nan 8.310 nan 0.000 0.622 466 F N 2.049 121.825 119.950 -0.290 0.000 2.126 466 F HA -0.008 4.524 4.527 0.008 0.000 0.299 466 F C 1.889 177.384 175.800 -0.508 0.000 1.096 466 F CA 2.401 59.759 58.000 -1.070 0.000 1.255 466 F CB -0.514 37.627 39.000 -1.431 0.000 0.997 466 F HN 0.631 nan 8.300 nan 0.000 0.479 467 E N -0.063 119.926 120.200 -0.352 0.000 2.150 467 E HA -0.204 4.150 4.350 0.007 0.000 0.193 467 E C 2.049 178.486 176.600 -0.271 0.000 0.985 467 E CA 1.225 57.411 56.400 -0.357 0.000 0.814 467 E CB -0.294 29.357 29.700 -0.083 0.000 0.752 467 E HN 0.435 nan 8.360 nan 0.000 0.466 468 Q N -0.098 119.641 119.800 -0.103 0.000 2.079 468 Q HA -0.058 4.287 4.340 0.007 0.000 0.200 468 Q C 2.029 178.035 176.000 0.010 0.000 0.974 468 Q CA 0.675 56.452 55.803 -0.043 0.000 0.840 468 Q CB -0.264 28.484 28.738 0.018 0.000 0.898 468 Q HN 0.245 nan 8.270 nan 0.000 0.430 469 L N -0.309 120.889 121.223 -0.043 0.000 2.046 469 L HA -0.190 4.154 4.340 0.007 0.000 0.208 469 L C 1.880 178.595 176.870 -0.258 0.000 1.077 469 L CA 1.687 56.405 54.840 -0.204 0.000 0.747 469 L CB -0.748 40.994 42.059 -0.529 0.000 0.896 469 L HN 0.288 nan 8.230 nan 0.000 0.432 470 C N -0.558 118.379 119.300 -0.605 0.000 2.413 470 C HA -0.188 4.276 4.460 0.007 0.000 0.278 470 C C 2.669 177.471 174.990 -0.314 0.000 1.224 470 C CA 1.123 59.665 59.018 -0.793 0.000 1.732 470 C CB -1.036 25.781 27.740 -1.538 0.000 2.050 470 C HN 0.683 nan 8.230 nan 0.000 0.463 471 I N 1.746 122.172 120.570 -0.239 0.000 2.493 471 I HA -0.096 4.078 4.170 0.007 0.000 0.254 471 I C 1.849 177.872 176.117 -0.156 0.000 1.160 471 I CA 1.559 62.793 61.300 -0.110 0.000 1.445 471 I CB -0.578 37.360 38.000 -0.103 0.000 1.086 471 I HN 0.293 nan 8.210 nan 0.000 0.433 472 N N -0.542 118.089 118.700 -0.115 0.000 2.270 472 N HA -0.212 4.532 4.740 0.007 0.000 0.181 472 N C 1.754 177.302 175.510 0.064 0.000 1.016 472 N CA 1.060 54.031 53.050 -0.132 0.000 0.870 472 N CB -0.572 37.803 38.487 -0.186 0.000 0.979 472 N HN 0.461 nan 8.380 nan 0.000 0.431 473 Y N 2.189 122.506 120.300 0.028 0.000 2.163 473 Y HA -0.121 4.433 4.550 0.007 0.000 0.288 473 Y C 2.131 178.052 175.900 0.036 0.000 1.136 473 Y CA 1.333 59.495 58.100 0.105 0.000 1.147 473 Y CB -0.840 37.663 38.460 0.071 0.000 0.987 473 Y HN -0.045 nan 8.280 nan 0.000 0.509 474 T N 1.252 115.717 114.554 -0.149 0.000 2.684 474 T HA -0.206 4.148 4.350 0.007 0.000 0.267 474 T C 1.799 176.317 174.700 -0.303 0.000 1.036 474 T CA 1.707 63.620 62.100 -0.312 0.000 1.148 474 T CB -0.339 68.396 68.868 -0.221 0.000 0.863 474 T HN 0.431 nan 8.240 nan 0.000 0.436 475 N N 0.564 119.023 118.700 -0.402 0.000 2.244 475 N HA -0.080 4.664 4.740 0.007 0.000 0.183 475 N C 1.917 177.179 175.510 -0.413 0.000 1.016 475 N CA 0.714 53.374 53.050 -0.650 0.000 0.866 475 N CB -0.077 37.557 38.487 -1.422 0.000 0.980 475 N HN 0.420 nan 8.380 nan 0.000 0.430 476 E N 1.523 121.675 120.200 -0.080 0.000 2.058 476 E HA -0.141 4.213 4.350 0.007 0.000 0.194 476 E C 1.826 178.492 176.600 0.111 0.000 0.997 476 E CA 0.961 57.508 56.400 0.244 0.000 0.801 476 E CB -0.129 29.806 29.700 0.392 0.000 0.746 476 E HN 0.397 nan 8.360 nan 0.000 0.450 477 K N 0.434 120.840 120.400 0.010 0.000 2.063 477 K HA -0.087 4.237 4.320 0.007 0.000 0.208 477 K C 2.418 179.046 176.600 0.046 0.000 1.048 477 K CA 0.880 57.162 56.287 -0.007 0.000 0.928 477 K CB -0.239 32.169 32.500 -0.154 0.000 0.713 477 K HN 0.134 nan 8.250 nan 0.000 0.442 478 L N 0.679 121.900 121.223 -0.003 0.000 2.109 478 L HA -0.172 4.172 4.340 0.007 0.000 0.207 478 L C 2.696 179.718 176.870 0.253 0.000 1.086 478 L CA 0.881 55.802 54.840 0.134 0.000 0.760 478 L CB -0.288 41.802 42.059 0.052 0.000 0.910 478 L HN 0.169 nan 8.230 nan 0.000 0.437 479 Q N 0.430 120.284 119.800 0.090 0.000 2.083 479 Q HA -0.243 4.101 4.340 0.007 0.000 0.198 479 Q C 2.128 178.160 176.000 0.054 0.000 0.969 479 Q CA 1.640 57.451 55.803 0.013 0.000 0.838 479 Q CB -0.167 28.414 28.738 -0.262 0.000 0.900 479 Q HN 0.415 nan 8.270 nan 0.000 0.436 480 Q N -1.105 118.739 119.800 0.072 0.000 2.096 480 Q HA -0.202 4.142 4.340 0.007 0.000 0.204 480 Q C 1.825 177.887 176.000 0.103 0.000 0.982 480 Q CA 1.707 57.533 55.803 0.037 0.000 0.850 480 Q CB -0.355 28.449 28.738 0.110 0.000 0.901 480 Q HN 0.501 nan 8.270 nan 0.000 0.422 481 F N 0.370 120.383 119.950 0.106 0.000 2.102 481 F HA -0.221 4.311 4.527 0.008 0.000 0.298 481 F C 1.805 177.716 175.800 0.185 0.000 1.105 481 F CA 1.584 59.699 58.000 0.191 0.000 1.239 481 F CB -0.631 38.487 39.000 0.197 0.000 0.991 481 F HN 0.225 nan 8.300 nan 0.000 0.474 482 F N 1.422 121.377 119.950 0.008 0.000 2.095 482 F HA -0.235 4.296 4.527 0.007 0.000 0.298 482 F C 2.169 177.814 175.800 -0.259 0.000 1.104 482 F CA 2.435 60.199 58.000 -0.394 0.000 1.232 482 F CB -1.124 37.551 39.000 -0.541 0.000 0.987 482 F HN 0.039 nan 8.300 nan 0.000 0.475 483 N N -1.110 117.521 118.700 -0.115 0.000 2.061 483 N HA -0.265 4.480 4.740 0.007 0.000 0.193 483 N C 1.790 177.166 175.510 -0.223 0.000 1.030 483 N CA 1.398 54.344 53.050 -0.174 0.000 0.856 483 N CB -0.365 38.022 38.487 -0.168 0.000 1.023 483 N HN 0.330 nan 8.380 nan 0.000 0.424 484 H N -0.434 118.583 119.070 -0.088 0.000 2.352 484 H HA -0.125 4.435 4.556 0.007 0.000 0.299 484 H C 1.999 177.277 175.328 -0.085 0.000 1.097 484 H CA 1.408 57.431 56.048 -0.042 0.000 1.311 484 H CB -0.590 29.172 29.762 0.000 0.000 1.377 484 H HN 0.416 nan 8.280 nan 0.000 0.504 485 H N 0.379 119.288 119.070 -0.268 0.000 2.321 485 H HA -0.103 4.457 4.556 0.007 0.000 0.300 485 H C 2.558 177.651 175.328 -0.392 0.000 1.087 485 H CA 1.927 57.747 56.048 -0.380 0.000 1.319 485 H CB -0.224 29.202 29.762 -0.560 0.000 1.379 485 H HN 0.244 nan 8.280 nan 0.000 0.501 486 M N -1.106 118.099 119.600 -0.658 0.000 2.099 486 M HA -0.131 4.353 4.480 0.007 0.000 0.262 486 M C 1.938 178.101 176.300 -0.228 0.000 1.067 486 M CA 1.813 56.754 55.300 -0.599 0.000 1.124 486 M CB -0.274 31.935 32.600 -0.651 0.000 1.353 486 M HN 0.376 nan 8.290 nan 0.000 0.410 487 F N 1.114 120.925 119.950 -0.232 0.000 2.095 487 F HA -0.269 4.262 4.527 0.007 0.000 0.298 487 F C 2.072 177.807 175.800 -0.108 0.000 1.104 487 F CA 1.973 59.911 58.000 -0.103 0.000 1.232 487 F CB -0.165 38.815 39.000 -0.034 0.000 0.987 487 F HN 0.060 nan 8.300 nan 0.000 0.475 488 K N 0.291 120.650 120.400 -0.068 0.000 2.032 488 K HA -0.179 4.145 4.320 0.007 0.000 0.209 488 K C 2.051 178.511 176.600 -0.233 0.000 1.048 488 K CA 1.888 58.072 56.287 -0.171 0.000 0.927 488 K CB -0.431 32.011 32.500 -0.097 0.000 0.712 488 K HN 0.366 nan 8.250 nan 0.000 0.441 489 L N 0.898 121.939 121.223 -0.304 0.000 2.109 489 L HA -0.141 4.203 4.340 0.007 0.000 0.207 489 L C 2.412 179.207 176.870 -0.125 0.000 1.086 489 L CA 0.915 55.604 54.840 -0.251 0.000 0.760 489 L CB -0.359 41.483 42.059 -0.363 0.000 0.910 489 L HN 0.207 nan 8.230 nan 0.000 0.437 490 E N 0.518 120.657 120.200 -0.101 0.000 2.051 490 E HA -0.249 4.105 4.350 0.007 0.000 0.192 490 E C 2.168 178.842 176.600 0.123 0.000 0.991 490 E CA 1.521 57.965 56.400 0.073 0.000 0.799 490 E CB -0.222 29.534 29.700 0.094 0.000 0.748 490 E HN 0.660 nan 8.360 nan 0.000 0.449 491 Q N 0.690 120.415 119.800 -0.125 0.000 2.124 491 Q HA -0.149 4.195 4.340 0.007 0.000 0.202 491 Q C 1.756 177.741 176.000 -0.026 0.000 0.977 491 Q CA 1.288 57.004 55.803 -0.146 0.000 0.850 491 Q CB -0.409 28.093 28.738 -0.394 0.000 0.901 491 Q HN 0.294 nan 8.270 nan 0.000 0.429 492 E N 1.008 121.177 120.200 -0.053 0.000 2.085 492 E HA -0.241 4.113 4.350 0.007 0.000 0.194 492 E C 1.955 178.575 176.600 0.034 0.000 0.994 492 E CA 1.406 57.794 56.400 -0.020 0.000 0.801 492 E CB -0.008 29.663 29.700 -0.048 0.000 0.743 492 E HN 0.403 nan 8.360 nan 0.000 0.453 493 E N 0.472 120.715 120.200 0.072 0.000 2.051 493 E HA -0.204 4.150 4.350 0.007 0.000 0.192 493 E C 1.671 178.342 176.600 0.119 0.000 0.991 493 E CA 1.430 57.886 56.400 0.094 0.000 0.799 493 E CB -0.328 29.433 29.700 0.102 0.000 0.748 493 E HN 0.374 nan 8.360 nan 0.000 0.449 494 Y N -0.407 119.925 120.300 0.054 0.000 2.163 494 Y HA -0.132 4.422 4.550 0.007 0.000 0.288 494 Y C 2.196 178.052 175.900 -0.073 0.000 1.136 494 Y CA 1.151 59.248 58.100 -0.006 0.000 1.147 494 Y CB -0.334 38.159 38.460 0.054 0.000 0.987 494 Y HN 0.153 nan 8.280 nan 0.000 0.509 495 L N 1.056 122.346 121.223 0.112 0.000 1.990 495 L HA -0.256 4.089 4.340 0.007 0.000 0.213 495 L C 2.436 179.304 176.870 -0.004 0.000 1.072 495 L CA 1.982 56.839 54.840 0.028 0.000 0.755 495 L CB -0.758 41.305 42.059 0.006 0.000 0.889 495 L HN 0.078 nan 8.230 nan 0.000 0.432 496 K N -0.580 119.820 120.400 -0.000 0.000 2.147 496 K HA -0.173 4.151 4.320 0.007 0.000 0.205 496 K C 1.443 178.024 176.600 -0.031 0.000 1.049 496 K CA 1.484 57.764 56.287 -0.011 0.000 0.936 496 K CB -0.090 32.409 32.500 -0.001 0.000 0.722 496 K HN 0.458 nan 8.250 nan 0.000 0.446 497 E N 0.996 121.153 120.200 -0.071 0.000 2.479 497 E HA 0.021 4.375 4.350 0.007 0.000 0.193 497 E C -0.412 176.070 176.600 -0.195 0.000 1.049 497 E CA 0.010 56.324 56.400 -0.143 0.000 0.870 497 E CB 0.231 29.777 29.700 -0.256 0.000 0.944 497 E HN 0.218 nan 8.360 nan 0.000 0.492 498 K N 0.517 120.839 120.400 -0.130 0.000 3.244 498 K HA -0.186 4.138 4.320 0.007 0.000 0.270 498 K C -0.430 176.077 176.600 -0.154 0.000 1.016 498 K CA 0.434 56.659 56.287 -0.103 0.000 0.754 498 K CB -1.614 30.845 32.500 -0.068 0.000 1.326 498 K HN 0.178 nan 8.250 nan 0.000 0.465 499 I N 1.474 121.935 120.570 -0.183 0.000 2.389 499 I HA 0.126 4.300 4.170 0.007 0.000 0.288 499 I C -0.040 176.126 176.117 0.082 0.000 0.999 499 I CA -0.943 60.241 61.300 -0.194 0.000 1.129 499 I CB 1.466 39.090 38.000 -0.628 0.000 1.288 499 I HN 0.058 nan 8.210 nan 0.000 0.444 500 N N 6.415 125.159 118.700 0.074 0.000 2.402 500 N HA 0.200 4.945 4.740 0.007 0.000 0.252 500 N C -1.232 174.458 175.510 0.300 0.000 1.118 500 N CA -0.098 53.028 53.050 0.126 0.000 0.945 500 N CB 0.486 39.016 38.487 0.071 0.000 1.147 500 N HN 0.508 nan 8.380 nan 0.000 0.495 501 W N 1.767 123.096 121.300 0.050 0.000 3.107 501 W HA 0.583 5.247 4.660 0.007 0.000 0.331 501 W C -0.843 175.558 176.519 -0.197 0.000 1.204 501 W CA -0.201 57.147 57.345 0.004 0.000 1.184 501 W CB 1.437 31.044 29.460 0.244 0.000 1.421 501 W HN 0.239 nan 8.180 nan 0.000 0.544 508 L N 0.711 121.919 121.223 -0.025 0.000 2.005 508 L HA 0.096 4.440 4.340 0.007 0.000 0.207 508 L C 2.338 179.236 176.870 0.047 0.000 1.072 508 L CA 2.919 57.789 54.840 0.050 0.000 0.744 508 L CB -1.570 40.504 42.059 0.024 0.000 0.895 508 L HN 0.243 nan 8.230 nan 0.000 0.433 509 D N 0.014 120.435 120.400 0.034 0.000 2.339 509 D HA -0.258 4.386 4.640 0.007 0.000 0.189 509 D C 2.178 178.538 176.300 0.100 0.000 1.022 509 D CA 2.151 56.189 54.000 0.064 0.000 0.884 509 D CB -0.212 40.634 40.800 0.078 0.000 0.916 509 D HN 0.599 nan 8.370 nan 0.000 0.453 510 S N -0.038 115.731 115.700 0.115 0.000 2.522 510 S HA -0.100 4.374 4.470 0.007 0.000 0.227 510 S C 1.748 176.432 174.600 0.141 0.000 0.986 510 S CA 0.324 58.617 58.200 0.156 0.000 0.929 510 S CB 0.202 63.491 63.200 0.148 0.000 0.769 510 S HN 0.174 nan 8.310 nan 0.000 0.529 511 Q N 2.225 122.094 119.800 0.114 0.000 2.119 511 Q HA 0.083 4.427 4.340 0.007 0.000 0.201 511 Q C 2.107 178.162 176.000 0.092 0.000 0.972 511 Q CA 1.580 57.450 55.803 0.111 0.000 0.847 511 Q CB -0.640 28.157 28.738 0.097 0.000 0.903 511 Q HN 0.484 nan 8.270 nan 0.000 0.433 512 A N -0.753 122.112 122.820 0.075 0.000 1.883 512 A HA -0.232 4.093 4.320 0.007 0.000 0.217 512 A C 2.306 179.915 177.584 0.042 0.000 1.186 512 A CA 2.186 54.253 52.037 0.051 0.000 0.624 512 A CB -1.163 17.862 19.000 0.042 0.000 0.822 512 A HN 0.478 nan 8.150 nan 0.000 0.444 513 T N 0.176 114.769 114.554 0.065 0.000 2.737 513 T HA -0.067 4.287 4.350 0.007 0.000 0.265 513 T C 1.811 176.554 174.700 0.071 0.000 1.038 513 T CA 1.422 63.549 62.100 0.045 0.000 1.144 513 T CB -0.415 68.500 68.868 0.079 0.000 0.866 513 T HN 0.415 nan 8.240 nan 0.000 0.434 514 I N 1.410 122.067 120.570 0.145 0.000 2.194 514 I HA -0.222 3.952 4.170 0.007 0.000 0.246 514 I C 2.278 178.447 176.117 0.087 0.000 1.093 514 I CA 1.306 62.721 61.300 0.192 0.000 1.355 514 I CB -0.375 37.767 38.000 0.236 0.000 1.046 514 I HN 0.164 nan 8.210 nan 0.000 0.413 515 D N 0.530 120.967 120.400 0.061 0.000 2.144 515 D HA -0.156 4.489 4.640 0.007 0.000 0.200 515 D C 2.008 178.282 176.300 -0.043 0.000 0.978 515 D CA 0.970 54.984 54.000 0.024 0.000 0.833 515 D CB -0.331 40.490 40.800 0.036 0.000 0.961 515 D HN 0.187 nan 8.370 nan 0.000 0.470 516 L N 0.673 121.844 121.223 -0.087 0.000 2.127 516 L HA -0.111 4.233 4.340 0.007 0.000 0.211 516 L C 1.904 178.627 176.870 -0.246 0.000 1.089 516 L CA 1.392 56.090 54.840 -0.237 0.000 0.757 516 L CB -0.336 41.578 42.059 -0.243 0.000 0.899 516 L HN -0.002 nan 8.230 nan 0.000 0.434 517 I N -0.237 120.231 120.570 -0.169 0.000 2.296 517 I HA -0.105 4.069 4.170 0.007 0.000 0.242 517 I C 1.468 177.421 176.117 -0.273 0.000 1.087 517 I CA 1.319 62.478 61.300 -0.235 0.000 1.393 517 I CB -0.341 37.461 38.000 -0.331 0.000 1.093 517 I HN 0.367 nan 8.210 nan 0.000 0.421 518 D N 0.433 120.680 120.400 -0.255 0.000 2.431 518 D HA 0.084 4.728 4.640 0.007 0.000 0.213 518 D C 0.869 177.152 176.300 -0.029 0.000 1.130 518 D CA -0.122 53.767 54.000 -0.184 0.000 0.834 518 D CB -0.342 40.346 40.800 -0.187 0.000 0.985 518 D HN 0.091 nan 8.370 nan 0.000 0.504 519 G N 0.360 109.152 108.800 -0.014 0.000 2.491 519 G HA2 0.141 4.105 3.960 0.007 0.000 0.238 519 G HA3 0.141 4.105 3.960 0.007 0.000 0.238 519 G C 0.621 175.541 174.900 0.033 0.000 1.277 519 G CA -0.529 44.587 45.100 0.026 0.000 0.851 519 G HN 0.127 nan 8.290 nan 0.000 0.573 520 R N -0.284 120.240 120.500 0.039 0.000 2.121 520 R HA 0.133 4.477 4.340 0.007 0.000 0.206 520 R C 0.058 176.381 176.300 0.037 0.000 1.094 520 R CA 0.346 56.466 56.100 0.034 0.000 1.055 520 R CB 0.316 30.635 30.300 0.031 0.000 0.964 520 R HN 0.374 nan 8.270 nan 0.000 0.473 521 Q N 1.276 121.101 119.800 0.042 0.000 2.337 521 Q HA 0.318 4.662 4.340 0.007 0.000 0.260 521 Q C -2.333 173.699 176.000 0.052 0.000 0.982 521 Q CA -1.562 54.268 55.803 0.045 0.000 0.734 521 Q CB 2.155 30.914 28.738 0.034 0.000 1.272 521 Q HN 0.209 nan 8.270 nan 0.000 0.461 522 P HA 0.340 nan 4.420 nan 0.000 0.272 522 P C -2.667 174.696 177.300 0.105 0.000 1.230 522 P CA -1.223 61.931 63.100 0.089 0.000 0.788 522 P CB 0.076 31.845 31.700 0.115 0.000 0.949 523 P HA 0.137 nan 4.420 nan 0.000 0.276 523 P C 0.300 177.707 177.300 0.178 0.000 1.230 523 P CA 0.212 63.352 63.100 0.068 0.000 0.776 523 P CB 0.797 32.479 31.700 -0.030 0.000 0.888 524 G N 1.916 110.788 108.800 0.121 0.000 2.532 524 G HA2 0.296 4.260 3.960 0.007 0.000 0.291 524 G HA3 0.296 4.260 3.960 0.007 0.000 0.291 524 G C 1.129 176.105 174.900 0.128 0.000 1.349 524 G CA -0.837 44.328 45.100 0.109 0.000 1.038 524 G HN 0.359 nan 8.290 nan 0.000 0.518 525 I N -0.360 120.216 120.570 0.011 0.000 2.163 525 I HA -0.168 4.007 4.170 0.007 0.000 0.243 525 I C 2.634 178.797 176.117 0.076 0.000 1.085 525 I CA 1.027 62.368 61.300 0.068 0.000 1.347 525 I CB -0.226 37.789 38.000 0.025 0.000 1.044 525 I HN 0.289 nan 8.210 nan 0.000 0.408 526 L N 0.369 121.613 121.223 0.034 0.000 2.093 526 L HA -0.164 4.180 4.340 0.007 0.000 0.208 526 L C 2.855 179.751 176.870 0.044 0.000 1.085 526 L CA 1.146 56.023 54.840 0.062 0.000 0.755 526 L CB -0.822 41.251 42.059 0.022 0.000 0.904 526 L HN 0.245 nan 8.230 nan 0.000 0.435 527 A N 0.402 123.235 122.820 0.020 0.000 1.902 527 A HA -0.152 4.172 4.320 0.007 0.000 0.217 527 A C 2.259 179.834 177.584 -0.015 0.000 1.181 527 A CA 1.417 53.458 52.037 0.006 0.000 0.623 527 A CB -0.619 18.383 19.000 0.004 0.000 0.818 527 A HN 0.365 nan 8.150 nan 0.000 0.443 528 L N -1.128 120.071 121.223 -0.040 0.000 2.109 528 L HA -0.121 4.223 4.340 0.007 0.000 0.207 528 L C 2.508 179.358 176.870 -0.033 0.000 1.086 528 L CA 0.878 55.657 54.840 -0.100 0.000 0.760 528 L CB -0.512 41.418 42.059 -0.215 0.000 0.910 528 L HN 0.459 nan 8.230 nan 0.000 0.437 529 L N 0.089 121.324 121.223 0.021 0.000 2.012 529 L HA -0.241 4.104 4.340 0.007 0.000 0.210 529 L C 1.995 178.884 176.870 0.032 0.000 1.073 529 L CA 1.964 56.836 54.840 0.054 0.000 0.748 529 L CB -0.665 41.461 42.059 0.111 0.000 0.891 529 L HN 0.175 nan 8.230 nan 0.000 0.431 530 D N -0.570 119.846 120.400 0.026 0.000 2.144 530 D HA -0.223 4.421 4.640 0.007 0.000 0.199 530 D C 2.080 178.396 176.300 0.027 0.000 0.984 530 D CA 1.366 55.376 54.000 0.017 0.000 0.834 530 D CB 0.013 40.820 40.800 0.012 0.000 0.955 530 D HN 0.633 nan 8.370 nan 0.000 0.465 531 E N 0.389 120.613 120.200 0.040 0.000 2.077 531 E HA -0.188 4.167 4.350 0.007 0.000 0.193 531 E C 1.727 178.464 176.600 0.228 0.000 0.989 531 E CA 0.872 57.330 56.400 0.097 0.000 0.800 531 E CB 0.145 29.881 29.700 0.060 0.000 0.746 531 E HN 0.165 nan 8.360 nan 0.000 0.452 532 Q N 0.059 119.957 119.800 0.164 0.000 2.297 532 Q HA -0.034 4.310 4.340 0.007 0.000 0.204 532 Q C 2.183 178.328 176.000 0.241 0.000 0.962 532 Q CA 0.957 56.891 55.803 0.218 0.000 0.879 532 Q CB 0.240 29.023 28.738 0.076 0.000 0.947 532 Q HN 0.215 nan 8.270 nan 0.000 0.462 533 S N 0.309 116.080 115.700 0.118 0.000 2.481 533 S HA -0.033 4.442 4.470 0.007 0.000 0.231 533 S C 1.781 176.372 174.600 -0.015 0.000 0.996 533 S CA 0.249 58.477 58.200 0.046 0.000 0.942 533 S CB 0.149 63.353 63.200 0.007 0.000 0.768 533 S HN 0.110 nan 8.310 nan 0.000 0.520 534 V N 1.243 121.095 119.914 -0.103 0.000 3.573 534 V HA 0.164 4.288 4.120 0.007 0.000 0.270 534 V C -0.591 175.182 176.094 -0.536 0.000 1.221 534 V CA 0.703 62.795 62.300 -0.346 0.000 1.163 534 V CB -0.515 31.017 31.823 -0.485 0.000 0.847 534 V HN 0.352 nan 8.190 nan 0.000 0.468 535 F N 1.573 121.517 119.950 -0.010 0.000 2.325 535 F HA 0.415 4.948 4.527 0.011 0.000 0.369 535 F C -0.943 174.854 175.800 -0.005 0.000 1.095 535 F CA -2.213 55.782 58.000 -0.008 0.000 1.082 535 F CB 1.121 40.114 39.000 -0.012 0.000 1.289 535 F HN -0.003 nan 8.300 nan 0.000 0.462 536 P HA -0.148 nan 4.420 nan 0.000 0.218 536 P C 0.490 177.836 177.300 0.077 0.000 1.149 536 P CA 1.326 64.466 63.100 0.067 0.000 0.817 536 P CB 0.380 32.102 31.700 0.037 0.000 0.785 537 N N -0.258 118.501 118.700 0.098 0.000 2.322 537 N HA 0.150 4.895 4.740 0.007 0.000 0.194 537 N C 0.765 176.312 175.510 0.062 0.000 1.126 537 N CA -0.000 53.091 53.050 0.069 0.000 0.845 537 N CB -0.196 38.326 38.487 0.058 0.000 0.976 537 N HN 0.141 nan 8.380 nan 0.000 0.475 538 A N 0.785 123.659 122.820 0.091 0.000 2.406 538 A HA 0.413 4.738 4.320 0.007 0.000 0.243 538 A C 0.948 178.550 177.584 0.030 0.000 1.082 538 A CA 0.039 52.105 52.037 0.049 0.000 0.786 538 A CB 0.153 19.200 19.000 0.078 0.000 1.029 538 A HN 0.296 nan 8.150 nan 0.000 0.495 539 T N -1.999 112.559 114.554 0.006 0.000 2.888 539 T HA 0.468 4.822 4.350 0.007 0.000 0.288 539 T C 0.238 174.934 174.700 -0.006 0.000 1.063 539 T CA -0.242 61.861 62.100 0.006 0.000 1.010 539 T CB 1.022 69.889 68.868 -0.001 0.000 1.214 539 T HN 0.436 nan 8.240 nan 0.000 0.533 540 D N 0.737 121.135 120.400 -0.005 0.000 2.126 540 D HA -0.207 4.438 4.640 0.007 0.000 0.190 540 D C 1.814 178.085 176.300 -0.049 0.000 1.001 540 D CA 1.514 55.497 54.000 -0.028 0.000 0.841 540 D CB -0.378 40.409 40.800 -0.022 0.000 0.949 540 D HN 0.696 nan 8.370 nan 0.000 0.446 541 N N 0.089 118.771 118.700 -0.031 0.000 2.120 541 N HA -0.167 4.578 4.740 0.007 0.000 0.188 541 N C 1.814 177.295 175.510 -0.047 0.000 1.024 541 N CA 1.883 54.914 53.050 -0.031 0.000 0.852 541 N CB -0.049 38.431 38.487 -0.012 0.000 1.003 541 N HN 0.201 nan 8.380 nan 0.000 0.424 542 T N 0.293 114.818 114.554 -0.047 0.000 2.867 542 T HA -0.114 4.241 4.350 0.007 0.000 0.268 542 T C 2.012 176.662 174.700 -0.084 0.000 1.057 542 T CA 0.945 63.006 62.100 -0.065 0.000 1.136 542 T CB -0.203 68.624 68.868 -0.070 0.000 0.874 542 T HN 0.195 nan 8.240 nan 0.000 0.466 543 L N 0.530 121.704 121.223 -0.083 0.000 2.023 543 L HA 0.262 4.606 4.340 0.007 0.000 0.205 543 L C 2.243 179.011 176.870 -0.170 0.000 1.073 543 L CA 1.589 56.366 54.840 -0.104 0.000 0.745 543 L CB -1.032 40.983 42.059 -0.073 0.000 0.900 543 L HN 0.333 nan 8.230 nan 0.000 0.435 544 I N -0.588 119.869 120.570 -0.189 0.000 2.361 544 I HA -0.236 3.939 4.170 0.007 0.000 0.251 544 I C 2.119 178.030 176.117 -0.343 0.000 1.133 544 I CA 1.850 62.966 61.300 -0.306 0.000 1.413 544 I CB -0.527 37.336 38.000 -0.229 0.000 1.073 544 I HN 0.346 nan 8.210 nan 0.000 0.424 545 T N 0.151 114.609 114.554 -0.160 0.000 2.708 545 T HA -0.221 4.133 4.350 0.007 0.000 0.266 545 T C 1.925 176.571 174.700 -0.089 0.000 1.037 545 T CA 1.730 63.784 62.100 -0.076 0.000 1.146 545 T CB -0.244 68.605 68.868 -0.032 0.000 0.865 545 T HN 0.214 nan 8.240 nan 0.000 0.435 546 K N 1.019 121.350 120.400 -0.115 0.000 2.044 546 K HA -0.027 4.297 4.320 0.007 0.000 0.210 546 K C 2.091 178.593 176.600 -0.163 0.000 1.049 546 K CA 1.206 57.432 56.287 -0.101 0.000 0.927 546 K CB -0.570 31.847 32.500 -0.139 0.000 0.713 546 K HN 0.284 nan 8.250 nan 0.000 0.443 547 L N -0.272 120.798 121.223 -0.256 0.000 2.012 547 L HA -0.242 4.103 4.340 0.007 0.000 0.210 547 L C 2.490 179.201 176.870 -0.265 0.000 1.073 547 L CA 1.406 56.066 54.840 -0.300 0.000 0.748 547 L CB -0.800 41.070 42.059 -0.315 0.000 0.891 547 L HN 0.364 nan 8.230 nan 0.000 0.431 548 H N -1.069 117.965 119.070 -0.061 0.000 2.387 548 H HA -0.140 4.421 4.556 0.008 0.000 0.299 548 H C 2.623 177.860 175.328 -0.153 0.000 1.090 548 H CA 1.504 57.545 56.048 -0.012 0.000 1.332 548 H CB -0.347 29.463 29.762 0.080 0.000 1.386 548 H HN 0.214 nan 8.280 nan 0.000 0.516 549 S N -0.418 115.254 115.700 -0.047 0.000 2.382 549 S HA -0.149 4.325 4.470 0.007 0.000 0.228 549 S C 1.905 176.311 174.600 -0.323 0.000 1.027 549 S CA 0.945 59.061 58.200 -0.140 0.000 0.991 549 S CB -0.142 62.984 63.200 -0.124 0.000 0.823 549 S HN 0.576 nan 8.310 nan 0.000 0.469 550 H N -1.696 117.022 119.070 -0.587 0.000 2.448 550 H HA 0.063 4.624 4.556 0.007 0.000 0.292 550 H C 0.977 175.822 175.328 -0.805 0.000 1.035 550 H CA 1.336 56.865 56.048 -0.864 0.000 1.349 550 H CB 0.098 28.978 29.762 -1.469 0.000 1.425 550 H HN 0.494 nan 8.280 nan 0.000 0.539 551 F N -0.328 119.440 119.950 -0.304 0.000 2.778 551 F HA 0.165 4.696 4.527 0.007 0.000 0.314 551 F C 1.257 176.872 175.800 -0.308 0.000 1.073 551 F CA -0.363 57.352 58.000 -0.474 0.000 1.218 551 F CB 0.015 38.327 39.000 -1.147 0.000 1.037 551 F HN -0.224 nan 8.300 nan 0.000 0.594 552 S N 2.045 117.719 115.700 -0.043 0.000 2.498 552 S HA 0.146 4.620 4.470 0.007 0.000 0.281 552 S C 0.887 175.543 174.600 0.094 0.000 1.265 552 S CA -0.128 58.181 58.200 0.181 0.000 1.071 552 S CB -0.088 63.204 63.200 0.154 0.000 0.894 552 S HN 0.274 nan 8.310 nan 0.000 0.491 553 K N 2.800 123.273 120.400 0.122 0.000 3.274 553 K HA -0.178 4.146 4.320 0.007 0.000 0.305 553 K C 0.408 177.043 176.600 0.058 0.000 1.225 553 K CA 1.800 58.129 56.287 0.071 0.000 0.904 553 K CB -1.702 30.816 32.500 0.030 0.000 1.227 553 K HN 0.785 nan 8.250 nan 0.000 0.453 554 K N -0.639 119.806 120.400 0.076 0.000 2.474 554 K HA 0.106 4.430 4.320 0.007 0.000 0.204 554 K C 0.396 177.055 176.600 0.099 0.000 1.220 554 K CA -0.203 56.118 56.287 0.057 0.000 0.966 554 K CB 0.529 33.037 32.500 0.014 0.000 1.049 554 K HN 0.079 nan 8.250 nan 0.000 0.554 555 N N 0.582 119.369 118.700 0.145 0.000 2.399 555 N HA 0.217 4.962 4.740 0.007 0.000 0.280 555 N C -0.095 175.493 175.510 0.130 0.000 1.008 555 N CA 0.000 53.133 53.050 0.137 0.000 0.894 555 N CB 1.964 40.539 38.487 0.148 0.000 1.273 555 N HN 0.030 nan 8.380 nan 0.000 0.486 556 A N 3.634 126.506 122.820 0.087 0.000 2.172 556 A HA -0.050 4.274 4.320 0.007 0.000 0.216 556 A C 1.423 179.052 177.584 0.075 0.000 1.154 556 A CA 1.055 53.137 52.037 0.075 0.000 0.701 556 A CB -0.022 19.006 19.000 0.047 0.000 0.789 556 A HN 0.587 nan 8.150 nan 0.000 0.465 557 K N -1.513 118.932 120.400 0.075 0.000 2.404 557 K HA 0.145 4.469 4.320 0.007 0.000 0.194 557 K C -0.554 176.116 176.600 0.116 0.000 1.023 557 K CA 0.028 56.349 56.287 0.057 0.000 1.094 557 K CB -0.174 32.333 32.500 0.012 0.000 0.841 557 K HN 0.593 nan 8.250 nan 0.000 0.523 558 Y N 0.843 121.162 120.300 0.031 0.000 2.468 558 Y HA 0.352 4.906 4.550 0.007 0.000 0.342 558 Y C -0.961 175.011 175.900 0.120 0.000 1.021 558 Y CA -1.166 56.992 58.100 0.098 0.000 1.079 558 Y CB 1.634 40.159 38.460 0.107 0.000 1.226 558 Y HN -0.077 nan 8.280 nan 0.000 0.460 559 E N 4.314 124.407 120.200 -0.179 0.000 2.260 559 E HA 0.165 4.519 4.350 0.007 0.000 0.266 559 E C -1.632 174.872 176.600 -0.161 0.000 0.887 559 E CA -0.733 55.631 56.400 -0.061 0.000 0.777 559 E CB 1.359 31.023 29.700 -0.060 0.000 1.205 559 E HN 0.792 nan 8.360 nan 0.000 0.414 560 E N 5.205 125.427 120.200 0.036 0.000 2.290 560 E HA 0.235 4.590 4.350 0.007 0.000 0.277 560 E C -2.214 174.299 176.600 -0.144 0.000 1.035 560 E CA -1.861 54.467 56.400 -0.120 0.000 0.873 560 E CB 0.782 30.279 29.700 -0.339 0.000 1.029 560 E HN 0.223 nan 8.360 nan 0.000 0.419 561 P HA 0.033 nan 4.420 nan 0.000 0.270 561 P C 0.222 177.393 177.300 -0.214 0.000 1.223 561 P CA -0.159 62.873 63.100 -0.114 0.000 0.785 561 P CB 0.652 32.334 31.700 -0.031 0.000 0.923 562 R N 0.481 120.774 120.500 -0.345 0.000 2.091 562 R HA -0.116 4.228 4.340 0.007 0.000 0.238 562 R C 0.938 176.766 176.300 -0.788 0.000 1.136 562 R CA 1.876 57.546 56.100 -0.716 0.000 0.959 562 R CB -0.261 29.326 30.300 -1.189 0.000 0.856 562 R HN 0.522 nan 8.270 nan 0.000 0.437 563 F N -2.086 117.858 119.950 -0.010 0.000 2.577 563 F HA 0.213 4.744 4.527 0.007 0.000 0.282 563 F C 0.986 176.792 175.800 0.011 0.000 0.957 563 F CA -0.475 57.525 58.000 -0.001 0.000 1.168 563 F CB -0.517 38.482 39.000 -0.002 0.000 0.958 563 F HN -0.266 nan 8.300 nan 0.000 0.702 564 S N 1.881 117.690 115.700 0.182 0.000 2.558 564 S HA 0.043 4.518 4.470 0.007 0.000 0.288 564 S C 1.074 175.746 174.600 0.121 0.000 1.318 564 S CA -0.144 58.134 58.200 0.130 0.000 1.056 564 S CB 0.447 63.706 63.200 0.099 0.000 0.853 564 S HN 0.122 nan 8.310 nan 0.000 0.505 565 K N 2.556 123.025 120.400 0.115 0.000 2.358 565 K HA 0.088 4.412 4.320 0.007 0.000 0.197 565 K C 1.323 177.995 176.600 0.120 0.000 1.025 565 K CA 0.483 56.846 56.287 0.126 0.000 1.104 565 K CB 0.217 32.771 32.500 0.090 0.000 0.855 565 K HN 0.815 nan 8.250 nan 0.000 0.531 566 T N -2.500 112.112 114.554 0.097 0.000 3.091 566 T HA 0.299 4.653 4.350 0.007 0.000 0.277 566 T C 0.219 174.952 174.700 0.054 0.000 0.996 566 T CA -0.436 61.696 62.100 0.054 0.000 0.897 566 T CB 0.576 69.459 68.868 0.025 0.000 1.109 566 T HN -0.049 nan 8.240 nan 0.000 0.534 567 E N 0.888 121.157 120.200 0.116 0.000 2.359 567 E HA 0.716 5.071 4.350 0.007 0.000 0.266 567 E C -1.439 175.304 176.600 0.239 0.000 0.920 567 E CA -1.306 55.146 56.400 0.086 0.000 0.788 567 E CB 2.307 32.020 29.700 0.022 0.000 1.279 567 E HN 0.404 nan 8.360 nan 0.000 0.438 568 F N -1.960 118.008 119.950 0.031 0.000 2.668 568 F HA 0.760 5.291 4.527 0.007 0.000 0.309 568 F C -0.660 175.085 175.800 -0.092 0.000 1.117 568 F CA -0.956 57.012 58.000 -0.054 0.000 0.951 568 F CB 1.236 40.184 39.000 -0.086 0.000 1.323 568 F HN 0.426 nan 8.300 nan 0.000 0.451 569 G N 1.154 109.857 108.800 -0.162 0.000 2.461 569 G HA2 0.622 4.586 3.960 0.007 0.000 0.323 569 G HA3 0.622 4.586 3.960 0.007 0.000 0.323 569 G C -2.059 172.813 174.900 -0.046 0.000 1.229 569 G CA -1.117 43.892 45.100 -0.153 0.000 0.941 569 G HN 0.703 nan 8.290 nan 0.000 0.477 570 V N 1.190 121.141 119.914 0.062 0.000 2.540 570 V HA 0.401 4.526 4.120 0.007 0.000 0.302 570 V C 0.173 176.247 176.094 -0.034 0.000 1.035 570 V CA -0.696 61.640 62.300 0.061 0.000 0.873 570 V CB 2.036 33.927 31.823 0.114 0.000 0.992 570 V HN 0.762 nan 8.190 nan 0.000 0.428 571 T N 4.978 119.494 114.554 -0.064 0.000 2.782 571 T HA 0.302 4.656 4.350 0.007 0.000 0.298 571 T C -0.018 174.626 174.700 -0.093 0.000 0.944 571 T CA -0.042 62.026 62.100 -0.054 0.000 1.001 571 T CB -0.578 68.272 68.868 -0.029 0.000 0.932 571 T HN 0.526 nan 8.240 nan 0.000 0.524 572 H N 1.423 120.501 119.070 0.014 0.000 2.509 572 H HA 0.106 4.666 4.556 0.007 0.000 0.359 572 H C 0.902 176.178 175.328 -0.088 0.000 1.253 572 H CA -0.679 55.382 56.048 0.022 0.000 1.373 572 H CB 0.778 30.532 29.762 -0.013 0.000 1.555 572 H HN 0.608 nan 8.280 nan 0.000 0.586 573 Y N 1.602 121.876 120.300 -0.043 0.000 2.181 573 Y HA -0.276 4.278 4.550 0.007 0.000 0.284 573 Y C 1.961 177.673 175.900 -0.313 0.000 1.179 573 Y CA 2.118 60.136 58.100 -0.137 0.000 1.179 573 Y CB -0.138 38.316 38.460 -0.012 0.000 0.973 573 Y HN 0.628 nan 8.280 nan 0.000 0.519 574 A N -0.114 122.369 122.820 -0.561 0.000 2.337 574 A HA 0.516 4.840 4.320 0.007 0.000 0.227 574 A C 1.070 178.462 177.584 -0.319 0.000 1.259 574 A CA 0.769 52.499 52.037 -0.511 0.000 0.870 574 A CB -1.163 17.392 19.000 -0.742 0.000 0.927 574 A HN 0.876 nan 8.150 nan 0.000 0.497 575 G N -1.035 107.623 108.800 -0.238 0.000 2.498 575 G HA2 -0.039 3.926 3.960 0.007 0.000 0.651 575 G HA3 -0.039 3.926 3.960 0.007 0.000 0.651 575 G C -0.456 174.400 174.900 -0.073 0.000 1.284 575 G CA -0.286 44.728 45.100 -0.143 0.000 0.950 575 G HN 0.602 nan 8.290 nan 0.000 0.511 576 Q N -0.773 118.987 119.800 -0.067 0.000 2.332 576 Q HA 0.512 4.857 4.340 0.007 0.000 0.263 576 Q C -0.227 175.729 176.000 -0.074 0.000 0.979 576 Q CA -0.403 55.371 55.803 -0.049 0.000 0.885 576 Q CB 0.970 29.670 28.738 -0.064 0.000 1.218 576 Q HN 0.677 nan 8.270 nan 0.000 0.405 577 V N 5.421 125.299 119.914 -0.060 0.000 2.448 577 V HA 0.327 4.451 4.120 0.007 0.000 0.295 577 V C -0.105 175.725 176.094 -0.440 0.000 1.025 577 V CA -0.789 61.352 62.300 -0.265 0.000 0.859 577 V CB 1.654 33.292 31.823 -0.308 0.000 0.988 577 V HN 0.872 nan 8.190 nan 0.000 0.431 578 M N 4.880 124.222 119.600 -0.431 0.000 2.146 578 M HA 0.470 4.954 4.480 0.007 0.000 0.357 578 M C -1.004 174.951 176.300 -0.575 0.000 1.261 578 M CA -0.089 54.964 55.300 -0.412 0.000 1.106 578 M CB 0.720 33.194 32.600 -0.210 0.000 1.612 578 M HN 0.543 nan 8.290 nan 0.000 0.470 579 Y N 0.961 120.999 120.300 -0.438 0.000 2.409 579 Y HA 0.375 4.930 4.550 0.008 0.000 0.339 579 Y C 0.435 176.145 175.900 -0.316 0.000 1.033 579 Y CA -0.984 56.896 58.100 -0.366 0.000 1.094 579 Y CB 1.358 39.434 38.460 -0.641 0.000 1.210 579 Y HN 0.586 nan 8.280 nan 0.000 0.456 580 E N 1.756 122.001 120.200 0.076 0.000 2.214 580 E HA 0.452 4.806 4.350 0.007 0.000 0.274 580 E C -0.455 176.064 176.600 -0.135 0.000 0.977 580 E CA -0.799 55.602 56.400 0.002 0.000 0.827 580 E CB 1.287 31.030 29.700 0.072 0.000 1.130 580 E HN 0.554 nan 8.360 nan 0.000 0.394 581 I N -1.162 119.209 120.570 -0.332 0.000 3.928 581 I HA 0.157 4.331 4.170 0.007 0.000 0.335 581 I C 0.028 175.929 176.117 -0.361 0.000 1.325 581 I CA -0.597 60.183 61.300 -0.867 0.000 1.107 581 I CB -0.775 36.778 38.000 -0.744 0.000 1.014 581 I HN 0.359 nan 8.210 nan 0.000 0.400 582 Q N 2.431 122.205 119.800 -0.043 0.000 2.269 582 Q HA 0.038 4.382 4.340 0.007 0.000 0.300 582 Q C 0.348 176.475 176.000 0.211 0.000 1.070 582 Q CA 1.078 56.926 55.803 0.074 0.000 0.957 582 Q CB -0.102 28.684 28.738 0.080 0.000 1.131 582 Q HN 0.311 nan 8.270 nan 0.000 0.377 583 D N 0.909 121.405 120.400 0.160 0.000 3.077 583 D HA -0.226 4.418 4.640 0.007 0.000 0.217 583 D C 0.107 176.556 176.300 0.249 0.000 1.162 583 D CA 0.712 54.816 54.000 0.173 0.000 0.943 583 D CB -0.984 39.903 40.800 0.144 0.000 1.122 583 D HN 0.677 nan 8.370 nan 0.000 0.413 584 W N 0.922 122.202 121.300 -0.033 0.000 2.363 584 W HA 0.032 4.695 4.660 0.006 0.000 0.296 584 W C 2.487 178.887 176.519 -0.199 0.000 1.212 584 W CA 0.744 58.003 57.345 -0.143 0.000 1.260 584 W CB -0.906 28.492 29.460 -0.104 0.000 1.131 584 W HN 0.200 nan 8.180 nan 0.000 0.530 585 L N -0.364 120.930 121.223 0.118 0.000 2.042 585 L HA -0.234 4.110 4.340 0.007 0.000 0.210 585 L C 2.404 179.275 176.870 0.001 0.000 1.076 585 L CA 1.939 56.801 54.840 0.036 0.000 0.749 585 L CB -0.953 41.136 42.059 0.050 0.000 0.893 585 L HN 0.030 nan 8.230 nan 0.000 0.432 586 E N 0.662 120.876 120.200 0.023 0.000 2.047 586 E HA -0.229 4.126 4.350 0.007 0.000 0.191 586 E C 2.162 178.752 176.600 -0.017 0.000 0.987 586 E CA 1.142 57.550 56.400 0.013 0.000 0.799 586 E CB 0.132 29.853 29.700 0.035 0.000 0.752 586 E HN 0.378 nan 8.360 nan 0.000 0.449 587 K N 0.354 120.727 120.400 -0.046 0.000 2.103 587 K HA -0.174 4.151 4.320 0.007 0.000 0.207 587 K C 2.023 178.512 176.600 -0.185 0.000 1.048 587 K CA 1.365 57.593 56.287 -0.100 0.000 0.930 587 K CB -0.185 32.221 32.500 -0.157 0.000 0.716 587 K HN 0.052 nan 8.250 nan 0.000 0.444 588 N N 1.028 119.556 118.700 -0.286 0.000 2.331 588 N HA -0.089 4.655 4.740 0.007 0.000 0.180 588 N C 1.030 176.496 175.510 -0.074 0.000 1.019 588 N CA 1.235 54.134 53.050 -0.252 0.000 0.881 588 N CB 0.255 38.580 38.487 -0.271 0.000 0.972 588 N HN 0.107 nan 8.380 nan 0.000 0.435 589 K N -0.598 119.776 120.400 -0.043 0.000 2.308 589 K HA 0.064 4.389 4.320 0.007 0.000 0.197 589 K C -0.239 176.370 176.600 0.016 0.000 1.049 589 K CA 0.169 56.455 56.287 -0.002 0.000 0.991 589 K CB 0.409 32.911 32.500 0.002 0.000 0.836 589 K HN -0.055 nan 8.250 nan 0.000 0.500 590 D N 1.562 121.971 120.400 0.014 0.000 2.735 590 D HA -0.105 4.539 4.640 0.007 0.000 0.235 590 D C -2.429 173.890 176.300 0.032 0.000 1.175 590 D CA 0.174 54.192 54.000 0.030 0.000 0.683 590 D CB -0.206 40.620 40.800 0.042 0.000 1.008 590 D HN 0.152 nan 8.370 nan 0.000 0.416 591 P HA 0.379 nan 4.420 nan 0.000 0.275 591 P C -0.563 176.760 177.300 0.039 0.000 1.228 591 P CA -0.660 62.459 63.100 0.032 0.000 0.786 591 P CB 1.245 32.962 31.700 0.028 0.000 0.927 592 L N 1.983 123.232 121.223 0.043 0.000 2.470 592 L HA 0.276 4.620 4.340 0.007 0.000 0.268 592 L C -0.307 176.598 176.870 0.059 0.000 0.964 592 L CA -0.598 54.274 54.840 0.054 0.000 0.839 592 L CB 1.934 44.029 42.059 0.061 0.000 1.276 592 L HN 0.227 nan 8.230 nan 0.000 0.403 593 Q N 2.249 122.084 119.800 0.058 0.000 2.304 593 Q HA -0.087 4.257 4.340 0.007 0.000 0.301 593 Q C 0.560 176.601 176.000 0.067 0.000 1.063 593 Q CA 0.446 56.282 55.803 0.055 0.000 0.947 593 Q CB 1.128 29.896 28.738 0.051 0.000 1.201 593 Q HN 0.742 nan 8.270 nan 0.000 0.389 594 Q N 2.472 122.306 119.800 0.057 0.000 2.226 594 Q HA -0.172 4.172 4.340 0.007 0.000 0.204 594 Q C 0.455 176.493 176.000 0.064 0.000 0.975 594 Q CA 1.904 57.744 55.803 0.062 0.000 0.866 594 Q CB 0.230 28.996 28.738 0.047 0.000 0.915 594 Q HN 0.531 nan 8.270 nan 0.000 0.440 595 D N -0.525 119.907 120.400 0.054 0.000 2.224 595 D HA -0.053 4.591 4.640 0.007 0.000 0.205 595 D C 1.566 177.905 176.300 0.065 0.000 0.965 595 D CA 0.652 54.680 54.000 0.047 0.000 0.852 595 D CB 0.056 40.877 40.800 0.035 0.000 0.947 595 D HN 0.323 nan 8.370 nan 0.000 0.494 596 L N 0.744 122.023 121.223 0.093 0.000 2.072 596 L HA -0.088 4.256 4.340 0.007 0.000 0.205 596 L C 2.330 179.286 176.870 0.144 0.000 1.079 596 L CA 0.836 55.761 54.840 0.142 0.000 0.752 596 L CB -0.231 41.908 42.059 0.133 0.000 0.906 596 L HN -0.056 nan 8.230 nan 0.000 0.436 597 E N 0.439 120.730 120.200 0.151 0.000 2.097 597 E HA -0.246 4.108 4.350 0.007 0.000 0.196 597 E C 2.313 178.972 176.600 0.100 0.000 1.000 597 E CA 1.321 57.849 56.400 0.213 0.000 0.804 597 E CB -0.341 29.485 29.700 0.210 0.000 0.740 597 E HN 0.510 nan 8.360 nan 0.000 0.454 598 L N 0.430 121.691 121.223 0.064 0.000 2.056 598 L HA -0.170 4.174 4.340 0.007 0.000 0.207 598 L C 2.926 179.775 176.870 -0.035 0.000 1.078 598 L CA 0.881 55.734 54.840 0.021 0.000 0.749 598 L CB -0.513 41.557 42.059 0.019 0.000 0.901 598 L HN 0.277 nan 8.230 nan 0.000 0.433 599 C N 0.092 119.366 119.300 -0.044 0.000 2.413 599 C HA -0.237 4.228 4.460 0.007 0.000 0.277 599 C C 2.641 177.432 174.990 -0.332 0.000 1.228 599 C CA 0.926 59.848 59.018 -0.160 0.000 1.731 599 C CB -0.852 26.806 27.740 -0.137 0.000 2.042 599 C HN 0.467 nan 8.230 nan 0.000 0.468 600 F N 0.812 120.477 119.950 -0.475 0.000 2.512 600 F HA 0.161 4.690 4.527 0.003 0.000 0.296 600 F C 2.363 177.852 175.800 -0.519 0.000 1.110 600 F CA 0.939 58.490 58.000 -0.749 0.000 1.446 600 F CB -0.389 37.521 39.000 -1.817 0.000 1.092 600 F HN 0.179 nan 8.300 nan 0.000 0.554 601 K N -0.032 120.284 120.400 -0.141 0.000 2.281 601 K HA -0.167 4.157 4.320 0.007 0.000 0.203 601 K C 0.464 177.052 176.600 -0.020 0.000 1.046 601 K CA 1.318 57.616 56.287 0.018 0.000 0.938 601 K CB -0.140 32.395 32.500 0.059 0.000 0.737 601 K HN 0.162 nan 8.250 nan 0.000 0.458 602 D N -0.006 120.344 120.400 -0.084 0.000 2.368 602 D HA 0.009 4.653 4.640 0.007 0.000 0.218 602 D C 0.056 176.298 176.300 -0.096 0.000 1.112 602 D CA 0.154 54.108 54.000 -0.077 0.000 0.834 602 D CB 0.364 41.112 40.800 -0.087 0.000 0.953 602 D HN -0.082 nan 8.370 nan 0.000 0.505 603 S N 0.182 115.812 115.700 -0.115 0.000 2.563 603 S HA 0.014 4.488 4.470 0.007 0.000 0.284 603 S C 1.505 176.084 174.600 -0.035 0.000 1.331 603 S CA -0.111 58.032 58.200 -0.095 0.000 1.047 603 S CB 0.610 63.777 63.200 -0.054 0.000 0.859 603 S HN 0.226 nan 8.310 nan 0.000 0.514 604 S N 2.249 117.934 115.700 -0.024 0.000 2.593 604 S HA 0.091 4.565 4.470 0.007 0.000 0.217 604 S C 0.317 174.922 174.600 0.008 0.000 0.966 604 S CA -0.293 57.903 58.200 -0.007 0.000 0.914 604 S CB -0.144 63.052 63.200 -0.006 0.000 0.776 604 S HN 0.795 nan 8.310 nan 0.000 0.523 605 D N 1.273 121.685 120.400 0.020 0.000 2.225 605 D HA 0.201 4.846 4.640 0.007 0.000 0.248 605 D C -0.012 176.287 176.300 -0.002 0.000 1.096 605 D CA -0.346 53.667 54.000 0.021 0.000 0.863 605 D CB 0.878 41.711 40.800 0.056 0.000 1.156 605 D HN -0.054 nan 8.370 nan 0.000 0.450 606 N N 2.398 121.088 118.700 -0.016 0.000 2.459 606 N HA -0.080 4.664 4.740 0.007 0.000 0.181 606 N C 1.565 177.022 175.510 -0.088 0.000 1.046 606 N CA 0.430 53.466 53.050 -0.023 0.000 0.904 606 N CB 0.275 38.762 38.487 0.000 0.000 0.964 606 N HN 0.270 nan 8.380 nan 0.000 0.444 607 V N -0.126 119.679 119.914 -0.182 0.000 2.374 607 V HA -0.060 4.064 4.120 0.007 0.000 0.241 607 V C 2.305 178.193 176.094 -0.343 0.000 1.034 607 V CA 0.731 62.750 62.300 -0.467 0.000 1.037 607 V CB -0.439 30.951 31.823 -0.721 0.000 0.682 607 V HN -0.009 nan 8.190 nan 0.000 0.463 608 V N 1.015 120.853 119.914 -0.126 0.000 2.324 608 V HA -0.321 3.803 4.120 0.007 0.000 0.250 608 V C 2.660 178.842 176.094 0.146 0.000 1.060 608 V CA 2.765 65.100 62.300 0.059 0.000 1.042 608 V CB -1.471 30.461 31.823 0.181 0.000 0.650 608 V HN 0.715 nan 8.190 nan 0.000 0.450 609 T N -0.664 113.935 114.554 0.074 0.000 2.778 609 T HA -0.278 4.076 4.350 0.007 0.000 0.269 609 T C 1.875 176.631 174.700 0.093 0.000 1.050 609 T CA 1.642 63.801 62.100 0.099 0.000 1.137 609 T CB -0.294 68.600 68.868 0.044 0.000 0.860 609 T HN 0.364 nan 8.240 nan 0.000 0.468 610 K N 1.077 121.482 120.400 0.008 0.000 2.097 610 K HA 0.172 4.496 4.320 0.007 0.000 0.205 610 K C 2.092 178.685 176.600 -0.012 0.000 1.050 610 K CA 0.689 56.983 56.287 0.011 0.000 0.938 610 K CB -0.588 31.921 32.500 0.015 0.000 0.718 610 K HN 0.323 nan 8.250 nan 0.000 0.442 611 L N -0.751 120.426 121.223 -0.077 0.000 2.265 611 L HA -0.121 4.224 4.340 0.007 0.000 0.215 611 L C 1.399 177.997 176.870 -0.453 0.000 1.117 611 L CA 1.175 55.868 54.840 -0.246 0.000 0.782 611 L CB -0.268 41.608 42.059 -0.305 0.000 0.914 611 L HN 0.138 nan 8.230 nan 0.000 0.441 612 F N -1.258 118.676 119.950 -0.028 0.000 2.712 612 F HA 0.099 4.628 4.527 0.004 0.000 0.297 612 F C 1.835 177.637 175.800 0.004 0.000 1.114 612 F CA 0.105 58.102 58.000 -0.006 0.000 1.305 612 F CB 0.053 39.070 39.000 0.027 0.000 1.086 612 F HN -0.023 nan 8.300 nan 0.000 0.599 613 N N -1.074 117.709 118.700 0.139 0.000 2.322 613 N HA -0.041 4.704 4.740 0.007 0.000 0.181 613 N C -0.188 175.348 175.510 0.044 0.000 1.088 613 N CA 0.050 53.152 53.050 0.086 0.000 0.885 613 N CB 0.365 38.898 38.487 0.077 0.000 1.013 613 N HN -0.072 nan 8.380 nan 0.000 0.472 614 D N 1.560 121.979 120.400 0.032 0.000 2.339 614 D HA 0.087 4.731 4.640 0.007 0.000 0.241 614 D C -1.631 174.665 176.300 -0.006 0.000 1.183 614 D CA -2.409 51.602 54.000 0.019 0.000 0.859 614 D CB 1.270 42.093 40.800 0.039 0.000 1.067 614 D HN 0.086 nan 8.370 nan 0.000 0.484 615 P HA -0.098 nan 4.420 nan 0.000 0.223 615 P C 0.708 177.988 177.300 -0.034 0.000 1.151 615 P CA 0.398 63.482 63.100 -0.026 0.000 0.787 615 P CB 0.471 32.152 31.700 -0.031 0.000 0.788 616 N N -0.016 118.667 118.700 -0.028 0.000 2.272 616 N HA -0.084 4.660 4.740 0.007 0.000 0.185 616 N C 1.799 177.291 175.510 -0.030 0.000 1.014 616 N CA 1.036 54.068 53.050 -0.031 0.000 0.870 616 N CB -0.390 38.078 38.487 -0.031 0.000 0.975 616 N HN 0.337 nan 8.380 nan 0.000 0.433 617 I N -0.485 120.067 120.570 -0.030 0.000 3.300 617 I HA 0.098 4.272 4.170 0.007 0.000 0.279 617 I C 1.964 178.026 176.117 -0.091 0.000 1.172 617 I CA 0.192 61.467 61.300 -0.043 0.000 1.431 617 I CB 0.001 37.995 38.000 -0.011 0.000 1.240 617 I HN -0.070 nan 8.210 nan 0.000 0.453 618 A N -0.109 122.649 122.820 -0.103 0.000 2.066 618 A HA 0.110 4.434 4.320 0.007 0.000 0.218 618 A C 1.049 178.581 177.584 -0.087 0.000 1.157 618 A CA 0.936 52.885 52.037 -0.147 0.000 0.670 618 A CB -0.146 18.786 19.000 -0.112 0.000 0.804 618 A HN 0.353 nan 8.150 nan 0.000 0.453 619 S N -1.521 114.149 115.700 -0.051 0.000 2.588 619 S HA 0.556 5.030 4.470 0.007 0.000 0.275 619 S C -0.402 174.192 174.600 -0.011 0.000 1.130 619 S CA -0.845 57.341 58.200 -0.024 0.000 0.855 619 S CB 1.590 64.776 63.200 -0.024 0.000 1.116 619 S HN 0.474 nan 8.310 nan 0.000 0.472 620 R N 0.604 121.114 120.500 0.016 0.000 2.583 620 R HA 0.429 4.773 4.340 0.007 0.000 0.268 620 R C -0.163 176.151 176.300 0.023 0.000 1.101 620 R CA -0.785 55.339 56.100 0.039 0.000 1.180 620 R CB 0.320 30.667 30.300 0.078 0.000 1.128 620 R HN 0.253 nan 8.270 nan 0.000 0.568 621 K N 1.414 121.833 120.400 0.031 0.000 2.102 621 K HA 0.245 4.570 4.320 0.007 0.000 0.244 621 K C 0.064 176.602 176.600 -0.104 0.000 1.021 621 K CA -0.041 56.224 56.287 -0.037 0.000 0.913 621 K CB 0.607 33.085 32.500 -0.036 0.000 1.062 621 K HN 0.521 nan 8.250 nan 0.000 0.485 628 I N 3.910 124.787 120.570 0.511 0.000 2.836 628 I HA 0.450 4.624 4.170 0.007 0.000 0.285 628 I C 0.817 177.019 176.117 0.141 0.000 1.174 628 I CA 0.183 61.625 61.300 0.237 0.000 1.405 628 I CB 1.274 39.421 38.000 0.245 0.000 1.385 628 I HN 0.273 nan 8.210 nan 0.000 0.594 629 T N 1.952 116.561 114.554 0.092 0.000 2.732 629 T HA 0.238 4.592 4.350 0.007 0.000 0.287 629 T C 1.113 175.882 174.700 0.116 0.000 0.993 629 T CA -0.631 61.516 62.100 0.077 0.000 0.966 629 T CB 1.465 70.360 68.868 0.044 0.000 1.047 629 T HN 0.490 nan 8.240 nan 0.000 0.527 630 V N 1.118 121.099 119.914 0.113 0.000 2.379 630 V HA -0.037 4.087 4.120 0.007 0.000 0.245 630 V C 3.077 179.343 176.094 0.287 0.000 1.044 630 V CA 2.068 64.481 62.300 0.189 0.000 1.036 630 V CB -1.588 30.347 31.823 0.187 0.000 0.664 630 V HN 1.058 nan 8.190 nan 0.000 0.453 631 A N 0.168 123.162 122.820 0.290 0.000 1.877 631 A HA -0.150 4.174 4.320 0.007 0.000 0.216 631 A C 2.439 180.187 177.584 0.273 0.000 1.186 631 A CA 2.162 54.417 52.037 0.362 0.000 0.620 631 A CB -0.853 18.320 19.000 0.289 0.000 0.822 631 A HN 0.563 nan 8.150 nan 0.000 0.443 632 A N -0.753 122.179 122.820 0.187 0.000 1.908 632 A HA -0.251 4.073 4.320 0.007 0.000 0.218 632 A C 2.227 179.915 177.584 0.174 0.000 1.181 632 A CA 1.930 54.060 52.037 0.156 0.000 0.627 632 A CB -0.621 18.441 19.000 0.103 0.000 0.818 632 A HN 0.700 nan 8.150 nan 0.000 0.445 633 Q N -2.081 117.831 119.800 0.186 0.000 2.084 633 Q HA -0.228 4.116 4.340 0.007 0.000 0.202 633 Q C 1.942 178.052 176.000 0.183 0.000 0.978 633 Q CA 1.891 57.795 55.803 0.169 0.000 0.844 633 Q CB -0.328 28.510 28.738 0.166 0.000 0.898 633 Q HN 0.751 nan 8.270 nan 0.000 0.426 634 Y N 1.199 121.581 120.300 0.137 0.000 2.181 634 Y HA -0.231 4.323 4.550 0.006 0.000 0.288 634 Y C 2.363 178.336 175.900 0.122 0.000 1.146 634 Y CA 2.136 60.307 58.100 0.119 0.000 1.164 634 Y CB 0.009 38.531 38.460 0.102 0.000 0.982 634 Y HN 0.046 nan 8.280 nan 0.000 0.515 635 K N -0.028 120.573 120.400 0.335 0.000 2.057 635 K HA -0.266 4.058 4.320 0.007 0.000 0.207 635 K C 2.086 178.746 176.600 0.101 0.000 1.049 635 K CA 1.867 58.336 56.287 0.304 0.000 0.931 635 K CB -0.202 32.479 32.500 0.301 0.000 0.714 635 K HN 0.208 nan 8.250 nan 0.000 0.440 636 E N 0.996 121.246 120.200 0.083 0.000 2.072 636 E HA -0.166 4.189 4.350 0.007 0.000 0.191 636 E C 1.895 178.483 176.600 -0.020 0.000 0.985 636 E CA 1.561 57.985 56.400 0.039 0.000 0.801 636 E CB -0.018 29.719 29.700 0.062 0.000 0.750 636 E HN 0.389 nan 8.360 nan 0.000 0.452 637 Q N -0.462 119.312 119.800 -0.044 0.000 2.119 637 Q HA -0.126 4.219 4.340 0.007 0.000 0.201 637 Q C 2.133 178.011 176.000 -0.202 0.000 0.972 637 Q CA 1.174 56.940 55.803 -0.061 0.000 0.847 637 Q CB -0.184 28.568 28.738 0.023 0.000 0.903 637 Q HN 0.259 nan 8.270 nan 0.000 0.433 638 L N 0.784 121.791 121.223 -0.360 0.000 2.017 638 L HA -0.103 4.242 4.340 0.007 0.000 0.208 638 L C 2.175 178.870 176.870 -0.291 0.000 1.073 638 L CA 2.118 56.690 54.840 -0.447 0.000 0.745 638 L CB -0.870 40.859 42.059 -0.550 0.000 0.894 638 L HN 0.106 nan 8.230 nan 0.000 0.432 639 A N -1.503 121.216 122.820 -0.168 0.000 1.933 639 A HA -0.170 4.155 4.320 0.007 0.000 0.218 639 A C 2.353 179.871 177.584 -0.110 0.000 1.175 639 A CA 1.920 53.893 52.037 -0.107 0.000 0.628 639 A CB -0.860 18.124 19.000 -0.026 0.000 0.814 639 A HN 0.552 nan 8.150 nan 0.000 0.444 640 S N -0.463 115.177 115.700 -0.100 0.000 2.368 640 S HA -0.118 4.356 4.470 0.007 0.000 0.224 640 S C 1.850 176.364 174.600 -0.143 0.000 1.029 640 S CA 1.305 59.454 58.200 -0.085 0.000 0.988 640 S CB -0.442 62.729 63.200 -0.049 0.000 0.838 640 S HN 0.516 nan 8.310 nan 0.000 0.462 641 L N 1.807 122.901 121.223 -0.215 0.000 1.989 641 L HA -0.075 4.269 4.340 0.007 0.000 0.211 641 L C 2.124 178.768 176.870 -0.375 0.000 1.071 641 L CA 1.828 56.455 54.840 -0.357 0.000 0.749 641 L CB -0.649 41.132 42.059 -0.463 0.000 0.890 641 L HN 0.171 nan 8.230 nan 0.000 0.431 642 M N -0.299 119.099 119.600 -0.336 0.000 2.108 642 M HA -0.163 4.322 4.480 0.007 0.000 0.261 642 M C 2.469 178.633 176.300 -0.227 0.000 1.066 642 M CA 1.856 56.954 55.300 -0.337 0.000 1.107 642 M CB -1.999 30.447 32.600 -0.257 0.000 1.356 642 M HN 0.469 nan 8.290 nan 0.000 0.406 643 A N -0.026 122.710 122.820 -0.139 0.000 1.883 643 A HA -0.181 4.143 4.320 0.007 0.000 0.217 643 A C 2.380 179.945 177.584 -0.032 0.000 1.186 643 A CA 2.550 54.550 52.037 -0.061 0.000 0.624 643 A CB -1.264 17.715 19.000 -0.034 0.000 0.822 643 A HN 0.498 nan 8.150 nan 0.000 0.444 644 T N 0.627 115.149 114.554 -0.053 0.000 2.652 644 T HA -0.130 4.224 4.350 0.007 0.000 0.267 644 T C 1.817 176.558 174.700 0.067 0.000 1.039 644 T CA 1.594 63.719 62.100 0.042 0.000 1.153 644 T CB -0.482 68.384 68.868 -0.003 0.000 0.863 644 T HN 0.379 nan 8.240 nan 0.000 0.428 645 L N 1.004 122.151 121.223 -0.127 0.000 2.079 645 L HA -0.112 4.232 4.340 0.007 0.000 0.210 645 L C 2.712 179.593 176.870 0.017 0.000 1.081 645 L CA 1.262 56.005 54.840 -0.161 0.000 0.752 645 L CB -0.667 40.990 42.059 -0.670 0.000 0.896 645 L HN 0.344 nan 8.230 nan 0.000 0.433 646 E N -0.371 119.838 120.200 0.014 0.000 2.338 646 E HA -0.156 4.199 4.350 0.007 0.000 0.197 646 E C 1.954 178.662 176.600 0.181 0.000 1.007 646 E CA 1.622 58.152 56.400 0.217 0.000 0.849 646 E CB -0.207 29.582 29.700 0.148 0.000 0.774 646 E HN 0.602 nan 8.360 nan 0.000 0.506 647 T N -0.911 113.729 114.554 0.144 0.000 3.129 647 T HA -0.013 4.341 4.350 0.007 0.000 0.251 647 T C 1.000 175.768 174.700 0.112 0.000 1.117 647 T CA 0.363 62.543 62.100 0.132 0.000 1.034 647 T CB -0.197 68.761 68.868 0.151 0.000 0.968 647 T HN 0.117 nan 8.240 nan 0.000 0.526 648 T N -0.052 114.582 114.554 0.133 0.000 2.950 648 T HA 0.526 4.880 4.350 0.007 0.000 0.288 648 T C -0.593 174.143 174.700 0.061 0.000 1.035 648 T CA -1.047 61.094 62.100 0.067 0.000 1.028 648 T CB 1.482 70.407 68.868 0.096 0.000 1.109 648 T HN 0.090 nan 8.240 nan 0.000 0.514 649 N N 2.835 121.533 118.700 -0.004 0.000 2.420 649 N HA 0.412 5.156 4.740 0.007 0.000 0.249 649 N C -2.524 172.865 175.510 -0.202 0.000 1.033 649 N CA -1.928 51.079 53.050 -0.071 0.000 0.944 649 N CB 0.838 39.299 38.487 -0.044 0.000 1.113 649 N HN 0.419 nan 8.380 nan 0.000 0.502 650 P HA 0.276 nan 4.420 nan 0.000 0.282 650 P C -1.219 175.624 177.300 -0.762 0.000 1.259 650 P CA -0.181 62.644 63.100 -0.459 0.000 0.826 650 P CB 1.321 32.746 31.700 -0.459 0.000 1.064 651 H N 0.893 119.774 119.070 -0.314 0.000 2.679 651 H HA 0.407 4.967 4.556 0.007 0.000 0.360 651 H C -0.910 174.294 175.328 -0.207 0.000 1.105 651 H CA -0.246 55.755 56.048 -0.078 0.000 1.196 651 H CB 1.154 30.944 29.762 0.048 0.000 1.636 651 H HN 0.303 nan 8.280 nan 0.000 0.531 652 F N 1.448 121.600 119.950 0.337 0.000 2.449 652 F HA 0.325 4.856 4.527 0.007 0.000 0.342 652 F C 0.091 176.116 175.800 0.375 0.000 1.127 652 F CA -0.823 57.394 58.000 0.362 0.000 0.975 652 F CB 1.750 41.010 39.000 0.433 0.000 1.146 652 F HN 0.121 nan 8.300 nan 0.000 0.444 653 V N 4.571 124.726 119.914 0.401 0.000 2.384 653 V HA 0.537 4.661 4.120 0.007 0.000 0.287 653 V C -0.252 175.966 176.094 0.208 0.000 1.020 653 V CA -0.911 61.562 62.300 0.287 0.000 0.850 653 V CB 1.498 33.436 31.823 0.192 0.000 0.987 653 V HN 0.499 nan 8.190 nan 0.000 0.436 654 R N 2.834 123.410 120.500 0.127 0.000 2.239 654 R HA 0.434 4.778 4.340 0.007 0.000 0.332 654 R C -0.767 175.527 176.300 -0.010 0.000 0.988 654 R CA -0.363 55.729 56.100 -0.013 0.000 0.859 654 R CB 1.031 31.195 30.300 -0.226 0.000 1.148 654 R HN 0.683 nan 8.270 nan 0.000 0.482 655 C N 4.044 123.343 119.300 -0.001 0.000 2.536 655 C HA 0.544 5.008 4.460 0.007 0.000 0.396 655 C C 0.768 175.727 174.990 -0.051 0.000 1.279 655 C CA -0.452 58.551 59.018 -0.026 0.000 2.148 655 C CB -0.260 27.473 27.740 -0.012 0.000 2.584 655 C HN 0.622 nan 8.230 nan 0.000 0.579 656 I N 2.613 123.131 120.570 -0.086 0.000 2.647 656 I HA 0.468 4.642 4.170 0.007 0.000 0.295 656 I C -0.282 175.758 176.117 -0.127 0.000 1.078 656 I CA -0.243 61.002 61.300 -0.092 0.000 1.048 656 I CB 1.425 39.362 38.000 -0.105 0.000 1.239 656 I HN 0.590 nan 8.210 nan 0.000 0.421 657 I N 7.661 128.183 120.570 -0.081 0.000 2.396 657 I HA 0.360 4.534 4.170 0.007 0.000 0.292 657 I C -1.450 174.624 176.117 -0.071 0.000 0.999 657 I CA -1.979 59.278 61.300 -0.071 0.000 1.310 657 I CB 2.052 40.093 38.000 0.068 0.000 1.404 657 I HN 0.475 nan 8.210 nan 0.000 0.496 658 P HA 0.024 nan 4.420 nan 0.000 0.230 658 P C -1.028 176.284 177.300 0.020 0.000 1.168 658 P CA 0.820 63.848 63.100 -0.120 0.000 0.793 658 P CB 0.021 31.606 31.700 -0.191 0.000 0.851 659 N N -2.253 116.525 118.700 0.131 0.000 3.227 659 N HA 0.125 4.870 4.740 0.007 0.000 0.241 659 N C -0.393 175.189 175.510 0.120 0.000 1.480 659 N CA -0.785 52.326 53.050 0.101 0.000 0.886 659 N CB -0.576 37.971 38.487 0.100 0.000 1.406 659 N HN -0.394 nan 8.380 nan 0.000 0.514 660 N N -0.698 118.032 118.700 0.049 0.000 2.276 660 N HA 0.154 4.899 4.740 0.007 0.000 0.212 660 N C -0.450 175.040 175.510 -0.033 0.000 1.127 660 N CA 0.203 53.265 53.050 0.020 0.000 0.834 660 N CB 0.316 38.805 38.487 0.004 0.000 1.014 660 N HN 0.524 nan 8.380 nan 0.000 0.491 661 K N 0.193 120.558 120.400 -0.058 0.000 2.413 661 K HA 0.197 4.522 4.320 0.007 0.000 0.204 661 K C -0.150 176.293 176.600 -0.262 0.000 1.041 661 K CA -0.094 56.123 56.287 -0.117 0.000 1.082 661 K CB 0.681 33.140 32.500 -0.068 0.000 0.871 661 K HN -0.048 nan 8.250 nan 0.000 0.535 662 Q N 0.733 120.227 119.800 -0.510 0.000 2.475 662 Q HA -0.203 4.141 4.340 0.007 0.000 0.280 662 Q C -0.886 174.610 176.000 -0.840 0.000 1.234 662 Q CA 0.531 55.608 55.803 -1.211 0.000 0.873 662 Q CB -1.681 26.619 28.738 -0.729 0.000 1.256 662 Q HN 0.366 nan 8.270 nan 0.000 0.475 663 L N 0.780 121.784 121.223 -0.364 0.000 2.334 663 L HA 0.607 4.951 4.340 0.007 0.000 0.276 663 L C -1.831 175.186 176.870 0.245 0.000 1.014 663 L CA -2.262 52.554 54.840 -0.040 0.000 0.815 663 L CB 1.211 43.271 42.059 0.002 0.000 1.268 663 L HN -0.102 nan 8.230 nan 0.000 0.428 664 P HA 0.134 nan 4.420 nan 0.000 0.276 664 P C -0.018 177.385 177.300 0.172 0.000 1.252 664 P CA -0.075 63.162 63.100 0.227 0.000 0.802 664 P CB 1.090 32.865 31.700 0.125 0.000 1.035 665 A N -0.023 122.894 122.820 0.162 0.000 2.826 665 A HA -0.213 4.111 4.320 0.007 0.000 0.274 665 A C 0.315 178.011 177.584 0.188 0.000 1.443 665 A CA 1.298 53.418 52.037 0.139 0.000 0.833 665 A CB -2.695 16.336 19.000 0.052 0.000 1.023 665 A HN 0.616 nan 8.150 nan 0.000 0.600 666 K N -0.788 119.766 120.400 0.256 0.000 2.920 666 K HA 0.389 4.714 4.320 0.007 0.000 0.175 666 K C -0.718 175.960 176.600 0.131 0.000 1.099 666 K CA -0.543 55.843 56.287 0.166 0.000 0.939 666 K CB 0.672 33.246 32.500 0.124 0.000 1.148 666 K HN 0.401 nan 8.250 nan 0.000 0.613 667 L N 2.361 123.647 121.223 0.106 0.000 2.325 667 L HA 0.158 4.502 4.340 0.007 0.000 0.284 667 L C -0.391 176.542 176.870 0.105 0.000 1.089 667 L CA 0.398 55.217 54.840 -0.035 0.000 0.836 667 L CB 0.279 42.194 42.059 -0.240 0.000 1.184 667 L HN 0.271 nan 8.230 nan 0.000 0.444 668 E N 3.098 123.334 120.200 0.060 0.000 2.146 668 E HA 0.093 4.447 4.350 0.007 0.000 0.282 668 E C 0.139 176.689 176.600 -0.084 0.000 0.989 668 E CA -0.275 56.138 56.400 0.022 0.000 0.799 668 E CB 1.098 30.795 29.700 -0.006 0.000 1.088 668 E HN 0.714 nan 8.360 nan 0.000 0.397 669 D N 3.816 124.060 120.400 -0.259 0.000 2.116 669 D HA -0.287 4.357 4.640 0.007 0.000 0.193 669 D C 1.885 177.879 176.300 -0.511 0.000 0.998 669 D CA 2.035 55.529 54.000 -0.844 0.000 0.836 669 D CB -0.369 39.898 40.800 -0.887 0.000 0.951 669 D HN 0.409 nan 8.370 nan 0.000 0.449 670 K N 1.004 121.231 120.400 -0.288 0.000 2.097 670 K HA 0.050 4.374 4.320 0.007 0.000 0.205 670 K C 2.482 178.996 176.600 -0.144 0.000 1.050 670 K CA 1.378 57.546 56.287 -0.198 0.000 0.938 670 K CB -1.241 31.175 32.500 -0.140 0.000 0.718 670 K HN 0.199 nan 8.250 nan 0.000 0.442 671 V N 0.830 120.677 119.914 -0.112 0.000 2.295 671 V HA -0.226 3.899 4.120 0.007 0.000 0.246 671 V C 2.487 178.542 176.094 -0.065 0.000 1.049 671 V CA 1.778 64.040 62.300 -0.064 0.000 1.024 671 V CB -0.150 31.654 31.823 -0.031 0.000 0.648 671 V HN 0.398 nan 8.190 nan 0.000 0.447 672 V N -0.378 119.489 119.914 -0.079 0.000 2.270 672 V HA -0.226 3.898 4.120 0.007 0.000 0.245 672 V C 2.302 178.362 176.094 -0.056 0.000 1.043 672 V CA 1.948 64.226 62.300 -0.036 0.000 1.014 672 V CB -0.486 31.406 31.823 0.114 0.000 0.645 672 V HN 0.422 nan 8.190 nan 0.000 0.447 673 L N 0.198 121.341 121.223 -0.134 0.000 2.131 673 L HA -0.203 4.141 4.340 0.007 0.000 0.210 673 L C 2.360 179.184 176.870 -0.075 0.000 1.092 673 L CA 1.877 56.653 54.840 -0.106 0.000 0.759 673 L CB -0.591 41.368 42.059 -0.167 0.000 0.903 673 L HN 0.440 nan 8.230 nan 0.000 0.435 674 D N -0.308 120.044 120.400 -0.080 0.000 2.117 674 D HA -0.223 4.421 4.640 0.007 0.000 0.197 674 D C 2.196 178.470 176.300 -0.043 0.000 0.987 674 D CA 1.413 55.377 54.000 -0.061 0.000 0.829 674 D CB 0.118 40.884 40.800 -0.056 0.000 0.961 674 D HN 0.299 nan 8.370 nan 0.000 0.460 675 Q N -0.549 119.229 119.800 -0.036 0.000 2.119 675 Q HA -0.031 4.313 4.340 0.007 0.000 0.201 675 Q C 2.446 178.423 176.000 -0.038 0.000 0.972 675 Q CA 0.850 56.638 55.803 -0.025 0.000 0.847 675 Q CB -0.020 28.702 28.738 -0.027 0.000 0.903 675 Q HN 0.383 nan 8.270 nan 0.000 0.433 676 L N 0.015 121.209 121.223 -0.048 0.000 2.141 676 L HA -0.156 4.188 4.340 0.007 0.000 0.209 676 L C 2.440 179.286 176.870 -0.040 0.000 1.094 676 L CA 1.018 55.822 54.840 -0.060 0.000 0.763 676 L CB -0.367 41.669 42.059 -0.038 0.000 0.908 676 L HN 0.170 nan 8.230 nan 0.000 0.437 677 R N -0.689 119.789 120.500 -0.035 0.000 2.062 677 R HA -0.102 4.243 4.340 0.007 0.000 0.229 677 R C 2.397 178.684 176.300 -0.022 0.000 1.128 677 R CA 1.597 57.673 56.100 -0.040 0.000 0.960 677 R CB -0.523 29.738 30.300 -0.065 0.000 0.855 677 R HN 0.390 nan 8.270 nan 0.000 0.432 678 C N 1.534 120.827 119.300 -0.012 0.000 2.435 678 C HA -0.044 4.420 4.460 0.007 0.000 0.279 678 C C 1.829 176.940 174.990 0.200 0.000 1.321 678 C CA 0.781 59.821 59.018 0.036 0.000 1.752 678 C CB -0.998 26.759 27.740 0.028 0.000 1.959 678 C HN 0.616 nan 8.230 nan 0.000 0.500 679 N N -0.181 118.581 118.700 0.103 0.000 2.230 679 N HA 0.231 4.976 4.740 0.007 0.000 0.202 679 N C 1.030 176.486 175.510 -0.090 0.000 1.119 679 N CA 0.943 54.016 53.050 0.038 0.000 0.851 679 N CB -0.100 38.332 38.487 -0.091 0.000 0.990 679 N HN 0.481 nan 8.380 nan 0.000 0.497 680 G N -0.576 108.274 108.800 0.084 0.000 2.213 680 G HA2 -0.327 3.637 3.960 0.007 0.000 0.236 680 G HA3 -0.327 3.637 3.960 0.007 0.000 0.236 680 G C 0.813 175.705 174.900 -0.013 0.000 0.991 680 G CA 0.283 45.442 45.100 0.099 0.000 0.629 680 G HN 0.211 nan 8.290 nan 0.000 0.517 681 V N 1.277 121.026 119.914 -0.276 0.000 2.261 681 V HA -0.109 4.016 4.120 0.007 0.000 0.246 681 V C 2.891 179.020 176.094 0.059 0.000 1.047 681 V CA 2.413 64.597 62.300 -0.194 0.000 1.015 681 V CB -0.547 31.103 31.823 -0.289 0.000 0.642 681 V HN 0.463 nan 8.190 nan 0.000 0.446 682 L N -0.294 120.951 121.223 0.037 0.000 2.093 682 L HA -0.159 4.185 4.340 0.007 0.000 0.208 682 L C 2.599 179.531 176.870 0.105 0.000 1.085 682 L CA 1.706 56.583 54.840 0.063 0.000 0.755 682 L CB -0.571 41.504 42.059 0.027 0.000 0.904 682 L HN 0.444 nan 8.230 nan 0.000 0.435 683 E N 0.555 120.837 120.200 0.137 0.000 2.051 683 E HA -0.192 4.162 4.350 0.007 0.000 0.192 683 E C 2.175 178.910 176.600 0.226 0.000 0.991 683 E CA 1.231 57.738 56.400 0.178 0.000 0.799 683 E CB -0.141 29.716 29.700 0.262 0.000 0.748 683 E HN 0.448 nan 8.360 nan 0.000 0.449 684 G N 1.472 110.449 108.800 0.296 0.000 2.476 684 G HA2 -0.272 3.692 3.960 0.007 0.000 0.218 684 G HA3 -0.272 3.692 3.960 0.007 0.000 0.218 684 G C 1.616 176.668 174.900 0.253 0.000 1.164 684 G CA 1.088 46.397 45.100 0.349 0.000 0.768 684 G HN 0.268 nan 8.290 nan 0.000 0.560 685 I N -0.011 120.688 120.570 0.215 0.000 2.226 685 I HA -0.124 4.051 4.170 0.007 0.000 0.245 685 I C 2.843 179.039 176.117 0.131 0.000 1.100 685 I CA 1.108 62.502 61.300 0.157 0.000 1.374 685 I CB -0.220 37.857 38.000 0.129 0.000 1.057 685 I HN 0.109 nan 8.210 nan 0.000 0.413 686 R N 1.279 121.855 120.500 0.126 0.000 2.091 686 R HA -0.198 4.146 4.340 0.007 0.000 0.238 686 R C 2.320 178.697 176.300 0.129 0.000 1.136 686 R CA 1.774 57.939 56.100 0.110 0.000 0.959 686 R CB -0.296 30.061 30.300 0.096 0.000 0.856 686 R HN 0.316 nan 8.270 nan 0.000 0.437 687 I N 0.050 120.715 120.570 0.159 0.000 2.179 687 I HA -0.267 3.907 4.170 0.007 0.000 0.242 687 I C 2.250 178.483 176.117 0.193 0.000 1.088 687 I CA 1.631 63.046 61.300 0.191 0.000 1.357 687 I CB -0.484 37.642 38.000 0.210 0.000 1.051 687 I HN 0.242 nan 8.210 nan 0.000 0.409 688 T N 1.128 115.782 114.554 0.167 0.000 2.624 688 T HA -0.268 4.086 4.350 0.007 0.000 0.268 688 T C 1.874 176.606 174.700 0.054 0.000 1.041 688 T CA 2.114 64.289 62.100 0.124 0.000 1.159 688 T CB -0.431 68.512 68.868 0.124 0.000 0.863 688 T HN 0.468 nan 8.240 nan 0.000 0.434 689 R N 1.278 121.813 120.500 0.059 0.000 2.237 689 R HA 0.028 4.372 4.340 0.007 0.000 0.219 689 R C 1.954 178.237 176.300 -0.028 0.000 1.080 689 R CA 1.226 57.337 56.100 0.018 0.000 0.995 689 R CB -0.214 30.113 30.300 0.046 0.000 0.875 689 R HN 0.306 nan 8.270 nan 0.000 0.462 690 K N 0.484 120.888 120.400 0.007 0.000 2.217 690 K HA 0.034 4.358 4.320 0.007 0.000 0.202 690 K C 1.519 177.994 176.600 -0.208 0.000 1.051 690 K CA 1.032 57.328 56.287 0.015 0.000 0.952 690 K CB 0.227 32.840 32.500 0.189 0.000 0.736 690 K HN 0.412 nan 8.250 nan 0.000 0.453 691 G N 0.564 109.029 108.800 -0.559 0.000 3.226 691 G HA2 0.197 4.161 3.960 0.007 0.000 0.190 691 G HA3 0.197 4.161 3.960 0.007 0.000 0.190 691 G C -0.493 173.785 174.900 -1.037 0.000 1.988 691 G CA -0.351 43.851 45.100 -1.497 0.000 0.859 691 G HN 0.075 nan 8.290 nan 0.000 0.631 692 F N 1.788 121.512 119.950 -0.377 0.000 2.564 692 F HA 0.372 4.903 4.527 0.007 0.000 0.368 692 F C -1.555 174.159 175.800 -0.144 0.000 1.127 692 F CA -1.851 56.067 58.000 -0.137 0.000 1.170 692 F CB 2.468 41.482 39.000 0.025 0.000 1.397 692 F HN 0.130 nan 8.300 nan 0.000 0.493 693 P HA -0.066 nan 4.420 nan 0.000 0.220 693 P C -0.341 176.929 177.300 -0.049 0.000 1.152 693 P CA 0.862 63.952 63.100 -0.017 0.000 0.812 693 P CB 0.408 32.108 31.700 -0.000 0.000 0.792 694 N N 1.504 120.204 118.700 -0.000 0.000 2.422 694 N HA 0.242 4.986 4.740 0.007 0.000 0.266 694 N C -0.163 175.251 175.510 -0.160 0.000 1.007 694 N CA -0.167 52.889 53.050 0.011 0.000 0.941 694 N CB 1.021 39.619 38.487 0.185 0.000 1.115 694 N HN 0.113 nan 8.380 nan 0.000 0.492 695 R N 2.130 122.437 120.500 -0.322 0.000 2.473 695 R HA 0.546 4.890 4.340 0.007 0.000 0.303 695 R C -0.597 175.508 176.300 -0.326 0.000 1.002 695 R CA -0.381 55.337 56.100 -0.637 0.000 0.884 695 R CB 1.384 30.992 30.300 -1.154 0.000 1.173 695 R HN 0.469 nan 8.270 nan 0.000 0.464 696 I N 3.679 124.100 120.570 -0.249 0.000 2.436 696 I HA 0.317 4.492 4.170 0.007 0.000 0.289 696 I C 0.197 176.202 176.117 -0.186 0.000 1.010 696 I CA -1.230 60.011 61.300 -0.098 0.000 1.098 696 I CB 1.695 39.772 38.000 0.128 0.000 1.266 696 I HN 0.378 nan 8.210 nan 0.000 0.434 697 I N 6.143 126.652 120.570 -0.103 0.000 2.828 697 I HA -0.170 4.004 4.170 0.007 0.000 0.292 697 I C 1.140 177.260 176.117 0.006 0.000 1.206 697 I CA 0.857 62.109 61.300 -0.079 0.000 1.420 697 I CB -0.499 37.503 38.000 0.003 0.000 1.368 697 I HN 0.646 nan 8.210 nan 0.000 0.556 698 Y N 5.363 125.694 120.300 0.053 0.000 2.139 698 Y HA -0.312 4.242 4.550 0.007 0.000 0.282 698 Y C 2.353 178.348 175.900 0.159 0.000 1.179 698 Y CA 1.884 60.034 58.100 0.083 0.000 1.161 698 Y CB -0.253 38.239 38.460 0.053 0.000 0.970 698 Y HN 0.729 nan 8.280 nan 0.000 0.511 699 A N -0.007 122.968 122.820 0.258 0.000 1.930 699 A HA -0.169 4.155 4.320 0.007 0.000 0.217 699 A C 1.780 179.454 177.584 0.150 0.000 1.175 699 A CA 1.790 53.932 52.037 0.176 0.000 0.627 699 A CB -0.573 18.491 19.000 0.107 0.000 0.815 699 A HN 0.352 nan 8.150 nan 0.000 0.443 700 D N -0.784 119.701 120.400 0.142 0.000 2.104 700 D HA -0.159 4.485 4.640 0.007 0.000 0.194 700 D C 1.593 177.988 176.300 0.159 0.000 0.994 700 D CA 1.352 55.420 54.000 0.112 0.000 0.830 700 D CB -0.530 40.326 40.800 0.093 0.000 0.959 700 D HN 0.476 nan 8.370 nan 0.000 0.452 701 F N 1.438 121.466 119.950 0.130 0.000 2.069 701 F HA -0.254 4.277 4.527 0.007 0.000 0.298 701 F C 2.257 178.210 175.800 0.254 0.000 1.113 701 F CA 1.244 59.395 58.000 0.252 0.000 1.214 701 F CB -0.319 38.840 39.000 0.266 0.000 0.978 701 F HN -0.199 nan 8.300 nan 0.000 0.474 702 V N 0.786 120.933 119.914 0.387 0.000 2.332 702 V HA -0.346 3.778 4.120 0.007 0.000 0.248 702 V C 2.502 178.667 176.094 0.118 0.000 1.055 702 V CA 2.339 64.795 62.300 0.260 0.000 1.038 702 V CB -0.810 31.160 31.823 0.244 0.000 0.651 702 V HN 0.334 nan 8.190 nan 0.000 0.450 703 K N -0.153 120.278 120.400 0.052 0.000 2.097 703 K HA -0.227 4.097 4.320 0.007 0.000 0.206 703 K C 2.401 179.004 176.600 0.005 0.000 1.049 703 K CA 1.769 58.052 56.287 -0.007 0.000 0.933 703 K CB -0.075 32.410 32.500 -0.025 0.000 0.717 703 K HN 0.355 nan 8.250 nan 0.000 0.442 704 R N -0.934 119.454 120.500 -0.187 0.000 2.080 704 R HA -0.066 4.278 4.340 0.007 0.000 0.222 704 R C 1.144 177.112 176.300 -0.553 0.000 1.107 704 R CA 1.202 57.041 56.100 -0.435 0.000 0.980 704 R CB 0.055 29.857 30.300 -0.831 0.000 0.879 704 R HN 0.218 nan 8.270 nan 0.000 0.439 705 Y N -0.421 119.696 120.300 -0.305 0.000 2.458 705 Y HA 0.032 4.587 4.550 0.007 0.000 0.256 705 Y C 1.169 176.849 175.900 -0.367 0.000 1.159 705 Y CA -0.498 57.300 58.100 -0.504 0.000 1.261 705 Y CB 0.269 38.241 38.460 -0.813 0.000 1.119 705 Y HN 0.194 nan 8.280 nan 0.000 0.524 706 Y N -1.066 119.152 120.300 -0.135 0.000 2.193 706 Y HA -0.236 4.318 4.550 0.007 0.000 0.285 706 Y C 1.374 177.208 175.900 -0.110 0.000 1.166 706 Y CA 1.131 59.186 58.100 -0.075 0.000 1.181 706 Y CB -1.136 37.292 38.460 -0.052 0.000 0.976 706 Y HN 0.111 nan 8.280 nan 0.000 0.520 707 L N 0.587 121.165 121.223 -1.074 0.000 2.622 707 L HA -0.021 4.324 4.340 0.007 0.000 0.233 707 L C 1.723 178.327 176.870 -0.444 0.000 1.156 707 L CA 0.300 54.683 54.840 -0.762 0.000 0.866 707 L CB -0.275 41.308 42.059 -0.794 0.000 0.980 707 L HN 0.408 nan 8.230 nan 0.000 0.448 708 L N -0.513 120.482 121.223 -0.380 0.000 2.492 708 L HA 0.132 4.476 4.340 0.007 0.000 0.223 708 L C 0.997 177.753 176.870 -0.192 0.000 1.132 708 L CA -0.094 54.600 54.840 -0.244 0.000 0.850 708 L CB -0.174 41.765 42.059 -0.200 0.000 0.966 708 L HN 0.196 nan 8.230 nan 0.000 0.454 709 A N -0.292 122.366 122.820 -0.269 0.000 2.423 709 A HA 0.744 5.068 4.320 0.007 0.000 0.304 709 A C -2.578 174.788 177.584 -0.363 0.000 1.104 709 A CA -1.384 50.352 52.037 -0.501 0.000 0.757 709 A CB 0.950 19.804 19.000 -0.244 0.000 1.313 709 A HN -0.196 nan 8.150 nan 0.000 0.423 710 P HA 0.345 nan 4.420 nan 0.000 0.280 710 P C -0.616 176.640 177.300 -0.074 0.000 1.244 710 P CA 0.062 63.060 63.100 -0.169 0.000 0.784 710 P CB 0.139 31.769 31.700 -0.116 0.000 0.913 711 N N -1.525 117.162 118.700 -0.023 0.000 2.780 711 N HA -0.121 4.623 4.740 0.007 0.000 0.248 711 N C -0.528 175.000 175.510 0.031 0.000 1.102 711 N CA 0.495 53.551 53.050 0.010 0.000 0.697 711 N CB -1.752 36.739 38.487 0.005 0.000 1.028 711 N HN 0.343 nan 8.380 nan 0.000 0.554 712 V N -1.073 118.878 119.914 0.063 0.000 2.409 712 V HA 0.659 4.783 4.120 0.007 0.000 0.290 712 V C -2.354 173.841 176.094 0.168 0.000 1.017 712 V CA -1.534 60.823 62.300 0.095 0.000 0.841 712 V CB 1.605 33.493 31.823 0.109 0.000 1.003 712 V HN 0.071 nan 8.190 nan 0.000 0.426 713 P HA -0.180 nan 4.420 nan 0.000 0.026 713 P C 0.764 177.963 177.300 -0.168 0.000 0.766 713 P CA 1.195 64.261 63.100 -0.057 0.000 1.034 713 P CB -0.321 31.371 31.700 -0.013 0.000 1.892 714 R N 2.804 122.976 120.500 -0.547 0.000 2.139 714 R HA -0.205 4.139 4.340 0.007 0.000 0.243 714 R C 0.817 176.925 176.300 -0.320 0.000 1.145 714 R CA 2.118 57.718 56.100 -0.833 0.000 0.976 714 R CB 0.030 29.508 30.300 -1.371 0.000 0.866 714 R HN 0.407 nan 8.270 nan 0.000 0.449 715 D N -0.763 119.509 120.400 -0.214 0.000 2.772 715 D HA 0.161 4.806 4.640 0.007 0.000 0.272 715 D C -0.620 175.645 176.300 -0.057 0.000 1.314 715 D CA -0.338 53.599 54.000 -0.105 0.000 0.835 715 D CB 0.419 41.162 40.800 -0.095 0.000 1.080 715 D HN 0.200 nan 8.370 nan 0.000 0.482 716 A N 0.598 123.394 122.820 -0.040 0.000 2.567 716 A HA 0.024 4.348 4.320 0.007 0.000 0.240 716 A C 1.342 178.925 177.584 -0.002 0.000 1.053 716 A CA -0.024 52.006 52.037 -0.012 0.000 0.755 716 A CB 0.175 19.183 19.000 0.013 0.000 0.978 716 A HN 0.392 nan 8.150 nan 0.000 0.507 717 E N 1.290 121.486 120.200 -0.006 0.000 2.150 717 E HA -0.161 4.193 4.350 0.007 0.000 0.193 717 E C -0.043 176.556 176.600 -0.001 0.000 0.985 717 E CA 0.862 57.260 56.400 -0.003 0.000 0.814 717 E CB 0.143 29.838 29.700 -0.008 0.000 0.752 717 E HN 0.720 nan 8.360 nan 0.000 0.466 718 D N 0.281 120.677 120.400 -0.006 0.000 2.494 718 D HA 0.091 4.736 4.640 0.007 0.000 0.217 718 D C 0.190 176.480 176.300 -0.017 0.000 1.153 718 D CA -0.023 53.964 54.000 -0.020 0.000 0.954 718 D CB 0.965 41.746 40.800 -0.031 0.000 1.034 718 D HN -0.045 nan 8.370 nan 0.000 0.518 719 S N 2.466 118.160 115.700 -0.010 0.000 2.368 719 S HA -0.165 4.309 4.470 0.007 0.000 0.225 719 S C 1.807 176.368 174.600 -0.065 0.000 1.030 719 S CA 0.890 59.110 58.200 0.034 0.000 0.999 719 S CB 0.093 63.363 63.200 0.117 0.000 0.844 719 S HN 0.590 nan 8.310 nan 0.000 0.459 720 Q N 0.642 120.233 119.800 -0.348 0.000 2.096 720 Q HA -0.164 4.180 4.340 0.007 0.000 0.204 720 Q C 2.277 178.212 176.000 -0.109 0.000 0.982 720 Q CA 1.301 56.765 55.803 -0.565 0.000 0.850 720 Q CB -0.187 28.211 28.738 -0.568 0.000 0.901 720 Q HN 0.438 nan 8.270 nan 0.000 0.422 721 K N 0.148 120.490 120.400 -0.097 0.000 2.057 721 K HA -0.098 4.226 4.320 0.007 0.000 0.206 721 K C 2.024 178.645 176.600 0.035 0.000 1.050 721 K CA 1.022 57.282 56.287 -0.045 0.000 0.935 721 K CB -0.091 32.379 32.500 -0.051 0.000 0.715 721 K HN 0.143 nan 8.250 nan 0.000 0.439 722 A N 0.418 123.272 122.820 0.056 0.000 1.902 722 A HA -0.135 4.189 4.320 0.007 0.000 0.217 722 A C 2.156 179.856 177.584 0.194 0.000 1.181 722 A CA 2.120 54.225 52.037 0.112 0.000 0.623 722 A CB -1.015 18.054 19.000 0.114 0.000 0.818 722 A HN 0.402 nan 8.150 nan 0.000 0.443 723 T N -0.197 114.489 114.554 0.220 0.000 2.684 723 T HA -0.186 4.168 4.350 0.007 0.000 0.267 723 T C 1.702 176.528 174.700 0.210 0.000 1.036 723 T CA 1.894 64.143 62.100 0.247 0.000 1.148 723 T CB -0.449 68.500 68.868 0.135 0.000 0.863 723 T HN 0.693 nan 8.240 nan 0.000 0.436 724 D N 0.897 121.477 120.400 0.300 0.000 2.144 724 D HA -0.045 4.599 4.640 0.007 0.000 0.199 724 D C 2.208 178.610 176.300 0.170 0.000 0.984 724 D CA 1.184 55.361 54.000 0.294 0.000 0.834 724 D CB -0.314 40.534 40.800 0.079 0.000 0.955 724 D HN 0.347 nan 8.370 nan 0.000 0.465 725 A N 0.138 123.041 122.820 0.139 0.000 1.908 725 A HA -0.154 4.170 4.320 0.007 0.000 0.218 725 A C 2.530 180.215 177.584 0.168 0.000 1.181 725 A CA 2.175 54.289 52.037 0.129 0.000 0.627 725 A CB -1.205 17.854 19.000 0.098 0.000 0.818 725 A HN 0.347 nan 8.150 nan 0.000 0.445 726 V N -0.609 119.426 119.914 0.202 0.000 2.453 726 V HA -0.129 3.995 4.120 0.007 0.000 0.247 726 V C 2.156 178.383 176.094 0.221 0.000 1.048 726 V CA 1.903 64.336 62.300 0.221 0.000 1.049 726 V CB -0.544 31.427 31.823 0.246 0.000 0.672 726 V HN 0.500 nan 8.190 nan 0.000 0.457 727 L N -0.176 121.154 121.223 0.178 0.000 2.017 727 L HA -0.099 4.246 4.340 0.007 0.000 0.208 727 L C 2.987 179.959 176.870 0.169 0.000 1.073 727 L CA 1.882 56.789 54.840 0.112 0.000 0.745 727 L CB -0.768 41.233 42.059 -0.097 0.000 0.894 727 L HN 0.291 nan 8.230 nan 0.000 0.432 728 K N -0.803 119.705 120.400 0.180 0.000 2.057 728 K HA -0.212 4.113 4.320 0.007 0.000 0.207 728 K C 2.030 178.717 176.600 0.145 0.000 1.049 728 K CA 1.307 57.692 56.287 0.164 0.000 0.931 728 K CB -0.877 31.709 32.500 0.142 0.000 0.714 728 K HN 0.433 nan 8.250 nan 0.000 0.440 729 H N 0.555 119.673 119.070 0.081 0.000 2.353 729 H HA -0.071 4.489 4.556 0.007 0.000 0.300 729 H C 1.431 176.793 175.328 0.058 0.000 1.090 729 H CA 1.094 57.178 56.048 0.061 0.000 1.327 729 H CB 0.289 30.082 29.762 0.051 0.000 1.383 729 H HN -0.052 nan 8.280 nan 0.000 0.508 730 L N 1.576 122.854 121.223 0.091 0.000 2.552 730 L HA -0.049 4.295 4.340 0.007 0.000 0.227 730 L C 0.860 177.747 176.870 0.028 0.000 1.146 730 L CA 0.841 55.703 54.840 0.036 0.000 0.858 730 L CB -1.473 40.642 42.059 0.093 0.000 0.969 730 L HN 0.412 nan 8.230 nan 0.000 0.451 731 N N -0.225 118.505 118.700 0.050 0.000 2.735 731 N HA -0.270 4.475 4.740 0.007 0.000 0.248 731 N C -0.086 175.496 175.510 0.119 0.000 1.083 731 N CA 0.288 53.381 53.050 0.072 0.000 0.703 731 N CB -1.428 37.074 38.487 0.025 0.000 1.005 731 N HN 0.294 nan 8.380 nan 0.000 0.550 732 I N 0.463 121.141 120.570 0.180 0.000 2.692 732 I HA -0.032 4.142 4.170 0.007 0.000 0.284 732 I C 0.974 177.256 176.117 0.275 0.000 1.159 732 I CA -0.109 61.333 61.300 0.237 0.000 1.423 732 I CB 0.237 38.425 38.000 0.313 0.000 1.380 732 I HN 0.239 nan 8.210 nan 0.000 0.580 733 D N 9.379 129.896 120.400 0.195 0.000 2.389 733 D HA 0.003 4.647 4.640 0.007 0.000 0.263 733 D C -1.464 174.868 176.300 0.053 0.000 1.255 733 D CA -1.789 52.283 54.000 0.121 0.000 0.914 733 D CB 0.881 41.735 40.800 0.090 0.000 1.116 733 D HN 0.217 nan 8.370 nan 0.000 0.502 734 P HA -0.180 nan 4.420 nan 0.000 0.222 734 P C 0.903 177.932 177.300 -0.453 0.000 1.142 734 P CA 0.741 63.517 63.100 -0.540 0.000 0.788 734 P CB 0.346 31.898 31.700 -0.247 0.000 0.767 735 E N 0.238 120.355 120.200 -0.139 0.000 2.347 735 E HA -0.146 4.208 4.350 0.007 0.000 0.196 735 E C 1.641 178.278 176.600 0.061 0.000 1.008 735 E CA 0.998 57.386 56.400 -0.019 0.000 0.852 735 E CB -0.638 29.079 29.700 0.028 0.000 0.783 735 E HN 0.097 nan 8.360 nan 0.000 0.505 736 Q N -0.411 119.430 119.800 0.069 0.000 2.403 736 Q HA 0.102 4.446 4.340 0.007 0.000 0.203 736 Q C -0.453 175.843 176.000 0.492 0.000 0.932 736 Q CA 0.158 56.101 55.803 0.233 0.000 0.945 736 Q CB 0.011 28.900 28.738 0.251 0.000 1.045 736 Q HN 0.432 nan 8.270 nan 0.000 0.511 737 Y N -2.844 117.673 120.300 0.361 0.000 2.638 737 Y HA 0.779 5.334 4.550 0.007 0.000 0.335 737 Y C -0.829 175.078 175.900 0.012 0.000 1.155 737 Y CA -1.533 56.676 58.100 0.182 0.000 1.046 737 Y CB 1.039 39.459 38.460 -0.067 0.000 1.303 737 Y HN -0.346 nan 8.280 nan 0.000 0.460 738 R N 1.416 121.884 120.500 -0.053 0.000 2.604 738 R HA 0.400 4.744 4.340 0.007 0.000 0.281 738 R C -2.147 174.057 176.300 -0.159 0.000 1.020 738 R CA -1.095 54.905 56.100 -0.166 0.000 0.899 738 R CB 2.016 31.970 30.300 -0.576 0.000 1.205 738 R HN 0.809 nan 8.270 nan 0.000 0.450 739 F N 0.810 120.723 119.950 -0.061 0.000 2.421 739 F HA 0.409 4.940 4.527 0.007 0.000 0.358 739 F C 1.441 177.189 175.800 -0.085 0.000 1.115 739 F CA 0.360 58.369 58.000 0.015 0.000 1.160 739 F CB 1.382 40.423 39.000 0.068 0.000 1.123 739 F HN 0.549 nan 8.300 nan 0.000 0.508 740 G N 3.575 112.377 108.800 0.003 0.000 2.521 740 G HA2 0.374 4.339 3.960 0.007 0.000 0.323 740 G HA3 0.374 4.339 3.960 0.007 0.000 0.323 740 G C 0.965 175.929 174.900 0.106 0.000 1.211 740 G CA -0.688 44.325 45.100 -0.145 0.000 0.979 740 G HN 0.694 nan 8.290 nan 0.000 0.490 741 I N -0.882 119.710 120.570 0.037 0.000 2.264 741 I HA -0.155 4.019 4.170 0.007 0.000 0.248 741 I C 2.346 178.582 176.117 0.198 0.000 1.111 741 I CA 1.450 62.810 61.300 0.100 0.000 1.382 741 I CB 0.143 38.161 38.000 0.031 0.000 1.060 741 I HN 0.449 nan 8.210 nan 0.000 0.418 742 T N -0.818 113.818 114.554 0.137 0.000 2.969 742 T HA 0.210 4.564 4.350 0.007 0.000 0.258 742 T C 0.201 174.805 174.700 -0.160 0.000 0.962 742 T CA -0.050 62.118 62.100 0.115 0.000 0.903 742 T CB 0.595 69.492 68.868 0.048 0.000 1.177 742 T HN 0.082 nan 8.240 nan 0.000 0.511 743 K N 1.175 121.349 120.400 -0.377 0.000 2.426 743 K HA 0.605 4.929 4.320 0.007 0.000 0.251 743 K C -1.452 174.635 176.600 -0.856 0.000 0.941 743 K CA -0.932 54.958 56.287 -0.662 0.000 0.808 743 K CB 2.132 34.497 32.500 -0.225 0.000 1.265 743 K HN -0.025 nan 8.250 nan 0.000 0.432 744 I N 0.678 120.633 120.570 -1.025 0.000 2.474 744 I HA 0.302 4.476 4.170 0.007 0.000 0.287 744 I C -0.405 175.392 176.117 -0.533 0.000 1.048 744 I CA 0.058 60.858 61.300 -0.833 0.000 1.383 744 I CB -0.050 37.192 38.000 -1.264 0.000 1.412 744 I HN 0.347 nan 8.210 nan 0.000 0.531 745 F N 4.733 124.230 119.950 -0.755 0.000 2.436 745 F HA 0.592 5.123 4.527 0.007 0.000 0.340 745 F C -0.382 175.175 175.800 -0.405 0.000 1.113 745 F CA -0.551 57.140 58.000 -0.514 0.000 1.022 745 F CB 1.144 39.789 39.000 -0.593 0.000 1.128 745 F HN 0.219 nan 8.300 nan 0.000 0.466 746 F N 2.934 123.011 119.950 0.212 0.000 2.507 746 F HA 0.482 5.013 4.527 0.007 0.000 0.325 746 F C 0.350 176.287 175.800 0.229 0.000 1.116 746 F CA -1.209 56.941 58.000 0.251 0.000 0.930 746 F CB 1.081 40.133 39.000 0.087 0.000 1.146 746 F HN 0.272 nan 8.300 nan 0.000 0.447 747 R N 1.292 121.993 120.500 0.335 0.000 2.811 747 R HA 0.286 4.630 4.340 0.007 0.000 0.265 747 R C 0.050 176.357 176.300 0.012 0.000 1.026 747 R CA -0.121 55.943 56.100 -0.060 0.000 1.142 747 R CB 0.243 30.451 30.300 -0.153 0.000 1.027 747 R HN 0.776 nan 8.270 nan 0.000 0.465 748 A N 0.636 123.422 122.820 -0.057 0.000 2.561 748 A HA 0.337 4.661 4.320 0.007 0.000 0.234 748 A C 1.461 179.019 177.584 -0.044 0.000 1.055 748 A CA 0.883 52.895 52.037 -0.041 0.000 0.756 748 A CB -0.351 18.649 19.000 -0.000 0.000 0.986 748 A HN 0.876 nan 8.150 nan 0.000 0.505 749 G N 0.809 109.493 108.800 -0.194 0.000 2.396 749 G HA2 -0.389 3.576 3.960 0.007 0.000 0.242 749 G HA3 -0.389 3.576 3.960 0.007 0.000 0.242 749 G C 1.244 175.992 174.900 -0.253 0.000 1.069 749 G CA 1.264 46.186 45.100 -0.296 0.000 0.633 749 G HN 1.059 nan 8.290 nan 0.000 0.517 750 Q N 0.363 120.081 119.800 -0.136 0.000 2.096 750 Q HA 0.091 4.435 4.340 0.007 0.000 0.204 750 Q C 2.514 178.309 176.000 -0.342 0.000 0.982 750 Q CA 2.484 58.199 55.803 -0.147 0.000 0.850 750 Q CB -0.404 28.333 28.738 -0.003 0.000 0.901 750 Q HN 0.927 nan 8.270 nan 0.000 0.422 751 L N -0.108 120.862 121.223 -0.421 0.000 2.093 751 L HA 0.081 4.425 4.340 0.007 0.000 0.208 751 L C 2.022 178.819 176.870 -0.122 0.000 1.085 751 L CA 1.966 56.565 54.840 -0.402 0.000 0.755 751 L CB -0.934 41.015 42.059 -0.183 0.000 0.904 751 L HN 0.214 nan 8.230 nan 0.000 0.435 752 A N -0.029 122.654 122.820 -0.228 0.000 1.908 752 A HA -0.241 4.084 4.320 0.007 0.000 0.218 752 A C 2.412 179.978 177.584 -0.031 0.000 1.181 752 A CA 1.963 53.895 52.037 -0.174 0.000 0.627 752 A CB -0.564 18.005 19.000 -0.718 0.000 0.818 752 A HN 0.534 nan 8.150 nan 0.000 0.445 753 R N -0.670 119.784 120.500 -0.077 0.000 2.092 753 R HA 0.004 4.349 4.340 0.007 0.000 0.231 753 R C 1.966 178.260 176.300 -0.011 0.000 1.119 753 R CA 1.417 57.519 56.100 0.002 0.000 0.970 753 R CB -0.457 29.849 30.300 0.011 0.000 0.864 753 R HN 0.580 nan 8.270 nan 0.000 0.440 754 I N 0.638 121.142 120.570 -0.110 0.000 2.179 754 I HA -0.250 3.924 4.170 0.007 0.000 0.242 754 I C 2.473 178.559 176.117 -0.051 0.000 1.088 754 I CA 1.228 62.417 61.300 -0.185 0.000 1.357 754 I CB -0.236 37.504 38.000 -0.434 0.000 1.051 754 I HN 0.110 nan 8.210 nan 0.000 0.409 755 E N 1.641 121.888 120.200 0.078 0.000 2.130 755 E HA -0.262 4.092 4.350 0.007 0.000 0.196 755 E C 1.706 178.512 176.600 0.344 0.000 0.998 755 E CA 1.625 58.256 56.400 0.385 0.000 0.806 755 E CB -0.135 29.779 29.700 0.357 0.000 0.738 755 E HN 0.496 nan 8.360 nan 0.000 0.459 756 E N -0.250 120.073 120.200 0.205 0.000 2.502 756 E HA 0.184 4.539 4.350 0.007 0.000 0.194 756 E C 0.185 176.895 176.600 0.184 0.000 1.062 756 E CA 0.101 56.595 56.400 0.156 0.000 0.867 756 E CB 0.315 30.077 29.700 0.104 0.000 0.888 756 E HN 0.290 nan 8.360 nan 0.000 0.510 757 A N 1.387 124.342 122.820 0.226 0.000 2.346 757 A HA 0.566 4.891 4.320 0.007 0.000 0.252 757 A C 0.559 178.279 177.584 0.226 0.000 1.089 757 A CA -0.099 52.037 52.037 0.165 0.000 0.797 757 A CB 0.152 19.200 19.000 0.080 0.000 1.047 757 A HN 0.310 nan 8.150 nan 0.000 0.494 758 R N 0.918 121.500 120.500 0.137 0.000 2.265 758 R HA 0.459 4.803 4.340 0.007 0.000 0.314 758 R C 0.215 176.562 176.300 0.080 0.000 1.053 758 R CA 0.217 56.397 56.100 0.133 0.000 0.931 758 R CB -0.313 30.040 30.300 0.088 0.000 1.024 758 R HN 0.976 nan 8.270 nan 0.000 0.457 759 E N 0.000 120.266 120.200 0.110 0.000 2.725 759 E HA 0.000 4.354 4.350 0.007 0.000 0.291 759 E CA 0.000 56.390 56.400 -0.016 0.000 0.976 759 E CB 0.000 29.727 29.700 0.044 0.000 0.812 759 E HN 0.000 nan 8.360 nan 0.000 0.440