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 3myk_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 RNXXXXSGVL 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 TFIDFGLDSQ ATIDLIDGRQ PPGILALLDE QSVFPNATDN TLITKLHSHF DATA SEQUENCE SKKNAKYEEP RFSKTEFGVT HYAGQVMYEI QDWLEKNKDP LQQDLELCFK DATA SEQUENCE DSSDNVVTKL FNDPNIASRA KKGANFITVA AQYKEQLASL MATLETTNPH DATA SEQUENCE FVRCIIPNNK QLPAKLEDKV VLDQLRCNGV LEGIRITRKG FPNRIIXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXQYRFGI TKIFFRAG 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 0.000 175.491 175.510 -0.032 0.000 1.280 2 N CA 0.000 53.056 53.050 0.011 0.000 0.885 2 N CB 0.000 38.549 38.487 0.103 0.000 1.341 3 P HA 0.039 nan 4.420 nan 0.000 0.219 3 P C 1.552 178.767 177.300 -0.141 0.000 1.146 3 P CA 0.818 63.877 63.100 -0.068 0.000 0.808 3 P CB 0.405 32.064 31.700 -0.069 0.000 0.779 4 I N -1.563 118.728 120.570 -0.465 0.000 2.423 4 I HA -0.244 3.927 4.170 0.002 0.000 0.254 4 I C 1.470 177.428 176.117 -0.264 0.000 1.151 4 I CA 1.619 62.504 61.300 -0.691 0.000 1.421 4 I CB -0.678 36.792 38.000 -0.883 0.000 1.079 4 I HN 0.152 nan 8.210 nan 0.000 0.431 5 H N -1.737 117.366 119.070 0.055 0.000 2.755 5 H HA 0.140 4.698 4.556 0.002 0.000 0.273 5 H C -0.043 175.266 175.328 -0.032 0.000 1.055 5 H CA -0.342 55.740 56.048 0.057 0.000 1.191 5 H CB 0.280 30.044 29.762 0.003 0.000 1.536 5 H HN 0.061 nan 8.280 nan 0.000 0.529 6 D N 0.790 121.230 120.400 0.067 0.000 2.359 6 D HA 0.089 4.730 4.640 0.002 0.000 0.230 6 D C 0.772 176.980 176.300 -0.153 0.000 1.118 6 D CA -0.400 53.588 54.000 -0.019 0.000 0.844 6 D CB 0.759 41.574 40.800 0.026 0.000 1.059 6 D HN 0.144 nan 8.370 nan 0.000 0.493 7 R N 1.509 121.819 120.500 -0.317 0.000 2.316 7 R HA -0.031 4.310 4.340 0.002 0.000 0.202 7 R C 1.555 177.783 176.300 -0.121 0.000 1.029 7 R CA 1.213 57.050 56.100 -0.439 0.000 1.018 7 R CB -0.047 30.038 30.300 -0.357 0.000 0.888 7 R HN 0.515 nan 8.270 nan 0.000 0.471 8 T N -2.067 112.456 114.554 -0.053 0.000 3.081 8 T HA 0.001 4.352 4.350 0.002 0.000 0.255 8 T C 1.083 175.809 174.700 0.043 0.000 1.113 8 T CA 0.051 62.148 62.100 -0.005 0.000 1.082 8 T CB 0.045 68.910 68.868 -0.005 0.000 0.939 8 T HN 0.126 nan 8.240 nan 0.000 0.506 9 S N 1.306 117.062 115.700 0.093 0.000 2.584 9 S HA 0.138 4.610 4.470 0.002 0.000 0.270 9 S C 0.613 175.311 174.600 0.164 0.000 1.346 9 S CA -0.531 57.754 58.200 0.141 0.000 1.018 9 S CB 0.705 64.015 63.200 0.183 0.000 0.899 9 S HN 0.138 nan 8.310 nan 0.000 0.542 10 D N 0.386 120.896 120.400 0.183 0.000 2.149 10 D HA -0.124 4.518 4.640 0.002 0.000 0.198 10 D C 1.433 177.906 176.300 0.289 0.000 0.990 10 D CA 1.507 55.655 54.000 0.247 0.000 0.839 10 D CB -0.492 40.500 40.800 0.320 0.000 0.948 10 D HN 0.805 nan 8.370 nan 0.000 0.460 11 Y N 1.095 121.481 120.300 0.145 0.000 2.165 11 Y HA -0.273 4.278 4.550 0.002 0.000 0.286 11 Y C 2.396 178.306 175.900 0.017 0.000 1.155 11 Y CA 1.817 59.975 58.100 0.097 0.000 1.164 11 Y CB -0.314 38.164 38.460 0.031 0.000 0.978 11 Y HN 0.127 nan 8.280 nan 0.000 0.513 12 H N 0.230 119.401 119.070 0.167 0.000 2.357 12 H HA -0.122 4.435 4.556 0.002 0.000 0.301 12 H C 2.268 177.532 175.328 -0.108 0.000 1.082 12 H CA 1.798 57.861 56.048 0.026 0.000 1.342 12 H CB 0.013 29.825 29.762 0.083 0.000 1.389 12 H HN 0.373 nan 8.280 nan 0.000 0.511 13 K N 0.111 120.479 120.400 -0.052 0.000 2.097 13 K HA -0.159 4.162 4.320 0.002 0.000 0.205 13 K C 1.036 177.368 176.600 -0.447 0.000 1.050 13 K CA 1.453 57.554 56.287 -0.310 0.000 0.938 13 K CB 0.120 32.304 32.500 -0.525 0.000 0.718 13 K HN 0.216 nan 8.250 nan 0.000 0.442 14 Y N -0.729 119.530 120.300 -0.068 0.000 2.442 14 Y HA 0.213 4.764 4.550 0.002 0.000 0.250 14 Y C 1.276 177.077 175.900 -0.165 0.000 1.113 14 Y CA -0.014 58.023 58.100 -0.104 0.000 1.273 14 Y CB 0.695 39.105 38.460 -0.082 0.000 1.138 14 Y HN -0.066 nan 8.280 nan 0.000 0.522 15 L N -0.802 120.336 121.223 -0.142 0.000 2.817 15 L HA 0.235 4.576 4.340 0.002 0.000 0.248 15 L C 0.021 176.711 176.870 -0.301 0.000 1.133 15 L CA 0.149 54.843 54.840 -0.243 0.000 0.935 15 L CB 0.440 42.273 42.059 -0.376 0.000 1.266 15 L HN -0.228 nan 8.230 nan 0.000 0.535 16 K N 0.739 120.959 120.400 -0.301 0.000 2.267 16 K HA 0.456 4.778 4.320 0.002 0.000 0.246 16 K C -0.582 175.954 176.600 -0.106 0.000 0.954 16 K CA -0.786 55.361 56.287 -0.235 0.000 0.824 16 K CB 2.993 35.276 32.500 -0.363 0.000 1.167 16 K HN -0.347 nan 8.250 nan 0.000 0.431 17 V N 3.010 122.890 119.914 -0.056 0.000 2.529 17 V HA -0.015 4.107 4.120 0.002 0.000 0.292 17 V C 0.665 176.759 176.094 -0.000 0.000 1.028 17 V CA -0.017 62.268 62.300 -0.025 0.000 1.074 17 V CB -0.223 31.595 31.823 -0.008 0.000 0.958 17 V HN 0.532 nan 8.190 nan 0.000 0.481 18 K N 3.455 123.849 120.400 -0.011 0.000 2.469 18 K HA 0.079 4.400 4.320 0.002 0.000 0.274 18 K C 0.266 176.875 176.600 0.015 0.000 0.983 18 K CA -0.192 56.094 56.287 -0.000 0.000 0.974 18 K CB 0.243 32.732 32.500 -0.018 0.000 0.913 18 K HN 0.638 nan 8.250 nan 0.000 0.493 19 Q N 1.495 121.308 119.800 0.022 0.000 2.263 19 Q HA 0.062 4.404 4.340 0.002 0.000 0.289 19 Q C -0.109 175.905 176.000 0.022 0.000 1.061 19 Q CA 0.504 56.322 55.803 0.025 0.000 0.927 19 Q CB 0.660 29.407 28.738 0.016 0.000 1.154 19 Q HN 0.659 nan 8.270 nan 0.000 0.378 20 G N 3.277 112.098 108.800 0.034 0.000 2.528 20 G HA2 0.423 4.384 3.960 0.002 0.000 0.289 20 G HA3 0.423 4.384 3.960 0.002 0.000 0.289 20 G C -0.789 174.140 174.900 0.048 0.000 1.192 20 G CA -0.272 44.852 45.100 0.040 0.000 0.921 20 G HN 0.856 nan 8.290 nan 0.000 0.512 21 D N -2.404 118.026 120.400 0.050 0.000 2.569 21 D HA 0.323 4.964 4.640 0.002 0.000 0.266 21 D C 1.604 177.951 176.300 0.079 0.000 1.164 21 D CA 0.080 54.108 54.000 0.045 0.000 1.071 21 D CB 0.672 41.489 40.800 0.028 0.000 1.183 21 D HN 0.298 nan 8.370 nan 0.000 0.613 22 S N -1.046 114.690 115.700 0.060 0.000 2.423 22 S HA -0.164 4.307 4.470 0.002 0.000 0.231 22 S C 1.125 175.808 174.600 0.138 0.000 1.014 22 S CA 0.863 59.119 58.200 0.094 0.000 0.965 22 S CB -0.426 62.794 63.200 0.033 0.000 0.785 22 S HN 0.441 nan 8.310 nan 0.000 0.495 23 D N 1.567 122.019 120.400 0.087 0.000 2.097 23 D HA -0.003 4.638 4.640 0.002 0.000 0.197 23 D C 1.876 178.218 176.300 0.069 0.000 0.984 23 D CA 0.749 54.791 54.000 0.071 0.000 0.826 23 D CB -0.469 40.357 40.800 0.044 0.000 0.973 23 D HN 0.318 nan 8.370 nan 0.000 0.460 24 L N 0.220 121.485 121.223 0.070 0.000 2.046 24 L HA -0.111 4.231 4.340 0.002 0.000 0.208 24 L C 2.135 179.047 176.870 0.071 0.000 1.077 24 L CA 1.297 56.170 54.840 0.055 0.000 0.747 24 L CB -0.789 41.300 42.059 0.050 0.000 0.896 24 L HN -0.041 nan 8.230 nan 0.000 0.432 25 F N 0.499 120.448 119.950 -0.002 0.000 2.091 25 F HA -0.306 4.222 4.527 0.002 0.000 0.299 25 F C 2.372 178.173 175.800 0.002 0.000 1.103 25 F CA 2.135 60.134 58.000 -0.002 0.000 1.228 25 F CB -0.256 38.742 39.000 -0.004 0.000 0.984 25 F HN 0.024 nan 8.300 nan 0.000 0.477 26 K N 0.255 120.723 120.400 0.112 0.000 2.044 26 K HA -0.218 4.103 4.320 0.002 0.000 0.210 26 K C 2.053 178.602 176.600 -0.085 0.000 1.049 26 K CA 2.112 58.406 56.287 0.012 0.000 0.927 26 K CB -0.501 32.046 32.500 0.079 0.000 0.713 26 K HN 0.374 nan 8.250 nan 0.000 0.443 27 L N 0.253 121.443 121.223 -0.055 0.000 2.156 27 L HA -0.130 4.212 4.340 0.002 0.000 0.208 27 L C 2.197 179.009 176.870 -0.097 0.000 1.095 27 L CA 1.033 55.841 54.840 -0.054 0.000 0.770 27 L CB -0.426 41.609 42.059 -0.039 0.000 0.914 27 L HN 0.212 nan 8.230 nan 0.000 0.439 28 T N -0.703 113.752 114.554 -0.166 0.000 2.951 28 T HA -0.084 4.267 4.350 0.002 0.000 0.268 28 T C 1.615 176.156 174.700 -0.264 0.000 1.073 28 T CA 1.367 63.350 62.100 -0.195 0.000 1.134 28 T CB -0.040 68.707 68.868 -0.203 0.000 0.884 28 T HN 0.334 nan 8.240 nan 0.000 0.479 29 V N -0.549 119.129 119.914 -0.393 0.000 3.647 29 V HA 0.343 4.464 4.120 0.002 0.000 0.279 29 V C 0.940 176.938 176.094 -0.159 0.000 1.314 29 V CA -0.640 61.464 62.300 -0.326 0.000 1.125 29 V CB -0.548 30.969 31.823 -0.509 0.000 0.907 29 V HN 0.253 nan 8.190 nan 0.000 0.434 30 S N 1.263 116.899 115.700 -0.107 0.000 2.558 30 S HA -0.041 4.430 4.470 0.002 0.000 0.291 30 S C 0.824 175.412 174.600 -0.020 0.000 1.306 30 S CA 0.438 58.618 58.200 -0.034 0.000 1.056 30 S CB 0.305 63.520 63.200 0.025 0.000 0.836 30 S HN 0.630 nan 8.310 nan 0.000 0.504 31 D N 2.761 123.149 120.400 -0.019 0.000 2.339 31 D HA 0.111 4.752 4.640 0.002 0.000 0.217 31 D C 0.189 176.460 176.300 -0.047 0.000 1.050 31 D CA 0.300 54.286 54.000 -0.024 0.000 0.856 31 D CB 0.261 41.048 40.800 -0.023 0.000 0.922 31 D HN 0.526 nan 8.370 nan 0.000 0.518 32 K N 0.738 121.104 120.400 -0.056 0.000 2.219 32 K HA 0.328 4.650 4.320 0.002 0.000 0.258 32 K C 0.430 176.873 176.600 -0.262 0.000 1.008 32 K CA 0.130 56.299 56.287 -0.197 0.000 0.928 32 K CB 1.182 33.539 32.500 -0.238 0.000 0.983 32 K HN -0.165 nan 8.250 nan 0.000 0.484 33 R N 1.011 121.204 120.500 -0.512 0.000 2.795 33 R HA 0.459 4.800 4.340 0.002 0.000 0.275 33 R C -1.242 174.632 176.300 -0.711 0.000 0.981 33 R CA -0.818 55.046 56.100 -0.393 0.000 0.917 33 R CB 1.327 31.463 30.300 -0.273 0.000 1.202 33 R HN 0.485 nan 8.270 nan 0.000 0.469 34 Y N 0.351 120.477 120.300 -0.290 0.000 2.615 34 Y HA 0.620 5.171 4.550 0.002 0.000 0.341 34 Y C -0.614 174.982 175.900 -0.506 0.000 1.089 34 Y CA -0.926 56.948 58.100 -0.378 0.000 1.049 34 Y CB 2.157 40.375 38.460 -0.404 0.000 1.296 34 Y HN 0.376 nan 8.280 nan 0.000 0.470 35 I N 0.214 120.553 120.570 -0.384 0.000 2.802 35 I HA 0.396 4.568 4.170 0.002 0.000 0.298 35 I C -1.893 173.982 176.117 -0.403 0.000 1.176 35 I CA -0.884 60.140 61.300 -0.460 0.000 1.025 35 I CB 1.859 39.526 38.000 -0.554 0.000 1.243 35 I HN 0.676 nan 8.210 nan 0.000 0.424 36 W N 7.313 128.524 121.300 -0.149 0.000 2.335 36 W HA 0.456 5.117 4.660 0.002 0.000 0.307 36 W C -0.904 175.657 176.519 0.069 0.000 1.117 36 W CA -0.455 56.839 57.345 -0.085 0.000 1.228 36 W CB 1.026 30.328 29.460 -0.265 0.000 1.240 36 W HN 0.365 nan 8.180 nan 0.000 0.468 37 Y N 0.100 120.573 120.300 0.288 0.000 2.609 37 Y HA 0.541 5.092 4.550 0.002 0.000 0.342 37 Y C -1.029 175.031 175.900 0.267 0.000 1.058 37 Y CA -2.284 55.932 58.100 0.193 0.000 1.055 37 Y CB 0.942 39.360 38.460 -0.070 0.000 1.292 37 Y HN 0.368 nan 8.280 nan 0.000 0.476 38 N N 3.522 122.285 118.700 0.104 0.000 2.420 38 N HA 0.292 5.033 4.740 0.002 0.000 0.249 38 N C -2.280 173.289 175.510 0.099 0.000 1.033 38 N CA -1.559 51.431 53.050 -0.101 0.000 0.944 38 N CB 1.359 39.784 38.487 -0.104 0.000 1.113 38 N HN 0.490 nan 8.380 nan 0.000 0.502 39 P HA -0.166 nan 4.420 nan 0.000 0.216 39 P C -0.279 177.101 177.300 0.133 0.000 1.150 39 P CA 1.486 64.699 63.100 0.188 0.000 0.843 39 P CB 0.239 31.988 31.700 0.081 0.000 0.787 40 D N -1.940 118.489 120.400 0.047 0.000 2.471 40 D HA 0.174 4.816 4.640 0.002 0.000 0.245 40 D C -2.238 174.068 176.300 0.009 0.000 1.116 40 D CA -2.492 51.527 54.000 0.031 0.000 0.853 40 D CB 1.365 42.168 40.800 0.006 0.000 1.123 40 D HN -0.106 nan 8.370 nan 0.000 0.540 41 P HA 0.038 nan 4.420 nan 0.000 0.242 41 P C 0.792 178.090 177.300 -0.003 0.000 1.197 41 P CA 0.683 63.796 63.100 0.021 0.000 0.765 41 P CB 0.104 31.832 31.700 0.046 0.000 0.936 42 K N 0.300 120.694 120.400 -0.010 0.000 2.365 42 K HA -0.023 4.298 4.320 0.002 0.000 0.197 42 K C 0.919 177.496 176.600 -0.037 0.000 1.042 42 K CA 0.769 57.046 56.287 -0.017 0.000 0.987 42 K CB -0.645 31.848 32.500 -0.012 0.000 0.779 42 K HN 0.491 nan 8.250 nan 0.000 0.484 43 E N -0.222 119.943 120.200 -0.058 0.000 2.437 43 E HA 0.225 4.577 4.350 0.002 0.000 0.238 43 E C -0.225 176.279 176.600 -0.161 0.000 0.969 43 E CA -0.826 55.520 56.400 -0.091 0.000 0.759 43 E CB 1.419 31.069 29.700 -0.083 0.000 1.283 43 E HN -0.000 nan 8.360 nan 0.000 0.416 44 R N 1.095 121.506 120.500 -0.150 0.000 2.293 44 R HA -0.056 4.286 4.340 0.002 0.000 0.219 44 R C 0.394 176.462 176.300 -0.387 0.000 1.091 44 R CA 1.163 57.138 56.100 -0.209 0.000 1.004 44 R CB -0.480 29.769 30.300 -0.084 0.000 0.865 44 R HN 0.523 nan 8.270 nan 0.000 0.469 45 D N -0.830 119.401 120.400 -0.282 0.000 2.369 45 D HA 0.165 4.806 4.640 0.002 0.000 0.211 45 D C -0.305 175.865 176.300 -0.216 0.000 1.077 45 D CA 0.355 54.229 54.000 -0.210 0.000 0.842 45 D CB 0.502 41.243 40.800 -0.098 0.000 0.947 45 D HN 0.095 nan 8.370 nan 0.000 0.509 46 S N 0.670 116.173 115.700 -0.329 0.000 2.423 46 S HA 0.354 4.825 4.470 0.002 0.000 0.317 46 S C -0.724 173.690 174.600 -0.309 0.000 1.065 46 S CA -0.474 57.613 58.200 -0.187 0.000 1.111 46 S CB 0.333 63.456 63.200 -0.129 0.000 0.968 46 S HN 0.035 nan 8.310 nan 0.000 0.474 47 Y N 1.425 121.690 120.300 -0.058 0.000 2.509 47 Y HA 0.564 5.116 4.550 0.002 0.000 0.341 47 Y C 0.701 176.538 175.900 -0.104 0.000 1.038 47 Y CA -0.858 57.181 58.100 -0.101 0.000 1.089 47 Y CB 1.197 39.617 38.460 -0.067 0.000 1.241 47 Y HN 0.414 nan 8.280 nan 0.000 0.468 48 E N 0.282 120.415 120.200 -0.111 0.000 2.378 48 E HA 0.335 4.687 4.350 0.002 0.000 0.265 48 E C -1.288 175.385 176.600 0.121 0.000 0.932 48 E CA -0.806 55.565 56.400 -0.049 0.000 0.795 48 E CB 2.533 32.061 29.700 -0.286 0.000 1.296 48 E HN 0.628 nan 8.360 nan 0.000 0.438 49 C N 0.832 120.224 119.300 0.153 0.000 2.307 49 C HA 0.797 5.259 4.460 0.002 0.000 0.340 49 C C 0.360 175.475 174.990 0.208 0.000 1.275 49 C CA -0.053 58.909 59.018 -0.093 0.000 1.811 49 C CB -0.750 26.755 27.740 -0.393 0.000 2.372 49 C HN 0.627 nan 8.230 nan 0.000 0.531 50 G N 4.206 113.126 108.800 0.200 0.000 2.461 50 G HA2 0.473 4.434 3.960 0.002 0.000 0.323 50 G HA3 0.473 4.434 3.960 0.002 0.000 0.323 50 G C -1.057 173.920 174.900 0.128 0.000 1.229 50 G CA -0.233 44.987 45.100 0.199 0.000 0.941 50 G HN 0.919 nan 8.290 nan 0.000 0.477 51 E N 2.176 122.453 120.200 0.130 0.000 2.316 51 E HA 0.145 4.496 4.350 0.002 0.000 0.275 51 E C 0.021 176.520 176.600 -0.168 0.000 1.029 51 E CA -0.394 55.891 56.400 -0.192 0.000 0.871 51 E CB 0.616 30.204 29.700 -0.188 0.000 1.022 51 E HN 0.310 nan 8.360 nan 0.000 0.418 52 I N 5.759 126.136 120.570 -0.321 0.000 2.452 52 I HA -0.049 4.123 4.170 0.002 0.000 0.287 52 I C 1.226 177.252 176.117 -0.152 0.000 1.079 52 I CA -0.164 61.015 61.300 -0.202 0.000 1.387 52 I CB 0.940 38.709 38.000 -0.384 0.000 1.404 52 I HN 0.547 nan 8.210 nan 0.000 0.522 53 V N 2.084 121.967 119.914 -0.052 0.000 3.523 53 V HA 0.249 4.370 4.120 0.002 0.000 0.255 53 V C 0.580 176.665 176.094 -0.016 0.000 1.226 53 V CA 0.452 62.721 62.300 -0.052 0.000 1.092 53 V CB -0.086 31.709 31.823 -0.046 0.000 0.817 53 V HN 0.753 nan 8.190 nan 0.000 0.458 54 S N 0.201 115.917 115.700 0.028 0.000 2.643 54 S HA 0.740 5.211 4.470 0.002 0.000 0.270 54 S C -1.119 173.558 174.600 0.129 0.000 1.166 54 S CA -0.231 57.999 58.200 0.051 0.000 0.815 54 S CB 2.413 65.626 63.200 0.021 0.000 1.139 54 S HN 0.845 nan 8.310 nan 0.000 0.472 55 E N -0.491 119.773 120.200 0.107 0.000 2.413 55 E HA 0.700 5.052 4.350 0.002 0.000 0.277 55 E C -0.885 175.724 176.600 0.015 0.000 0.958 55 E CA -1.008 55.457 56.400 0.108 0.000 0.779 55 E CB 1.731 31.544 29.700 0.188 0.000 1.278 55 E HN 0.856 nan 8.360 nan 0.000 0.456 56 T N -1.956 112.573 114.554 -0.043 0.000 2.762 56 T HA 0.322 4.674 4.350 0.002 0.000 0.272 56 T C 1.189 175.837 174.700 -0.087 0.000 0.982 56 T CA -0.029 62.041 62.100 -0.051 0.000 1.013 56 T CB 0.938 69.777 68.868 -0.049 0.000 1.309 56 T HN 0.574 nan 8.240 nan 0.000 0.572 57 S N 0.133 115.790 115.700 -0.072 0.000 2.419 57 S HA -0.095 4.377 4.470 0.002 0.000 0.233 57 S C 1.056 175.584 174.600 -0.121 0.000 1.016 57 S CA 1.375 59.527 58.200 -0.079 0.000 0.974 57 S CB -0.690 62.478 63.200 -0.053 0.000 0.786 57 S HN 0.936 nan 8.310 nan 0.000 0.492 58 D N -0.602 119.720 120.400 -0.131 0.000 2.527 58 D HA 0.326 4.967 4.640 0.002 0.000 0.224 58 D C -0.125 176.052 176.300 -0.204 0.000 1.217 58 D CA -0.296 53.611 54.000 -0.154 0.000 0.819 58 D CB 0.190 40.934 40.800 -0.094 0.000 1.061 58 D HN 0.244 nan 8.370 nan 0.000 0.515 59 S N -0.723 114.832 115.700 -0.241 0.000 2.618 59 S HA 0.662 5.133 4.470 0.002 0.000 0.277 59 S C -1.509 172.928 174.600 -0.272 0.000 1.138 59 S CA -0.684 57.384 58.200 -0.221 0.000 0.844 59 S CB 1.278 64.434 63.200 -0.073 0.000 1.127 59 S HN 0.043 nan 8.310 nan 0.000 0.474 60 F N 1.127 121.105 119.950 0.046 0.000 2.522 60 F HA 0.580 5.109 4.527 0.002 0.000 0.324 60 F C 0.661 176.513 175.800 0.087 0.000 1.077 60 F CA -0.564 57.474 58.000 0.062 0.000 0.944 60 F CB 1.924 40.976 39.000 0.086 0.000 1.175 60 F HN 0.313 nan 8.300 nan 0.000 0.468 61 T N 4.210 118.917 114.554 0.254 0.000 2.823 61 T HA 0.669 5.020 4.350 0.002 0.000 0.279 61 T C -1.028 173.739 174.700 0.112 0.000 0.998 61 T CA -0.366 61.783 62.100 0.081 0.000 0.994 61 T CB 0.633 69.494 68.868 -0.012 0.000 0.960 61 T HN 0.384 nan 8.240 nan 0.000 0.448 62 F N -0.148 119.762 119.950 -0.067 0.000 2.613 62 F HA 0.794 5.322 4.527 0.002 0.000 0.314 62 F C -0.633 175.073 175.800 -0.157 0.000 1.075 62 F CA -1.610 56.312 58.000 -0.131 0.000 0.945 62 F CB 1.218 40.119 39.000 -0.164 0.000 1.310 62 F HN 0.183 nan 8.300 nan 0.000 0.467 63 K N 1.319 121.737 120.400 0.030 0.000 2.174 63 K HA 0.480 4.801 4.320 0.002 0.000 0.275 63 K C -0.115 176.492 176.600 0.011 0.000 1.015 63 K CA -0.585 55.679 56.287 -0.038 0.000 0.933 63 K CB 1.431 33.939 32.500 0.013 0.000 1.025 63 K HN 0.850 nan 8.250 nan 0.000 0.463 64 T N -1.903 112.603 114.554 -0.079 0.000 2.902 64 T HA 0.113 4.465 4.350 0.002 0.000 0.280 64 T C 1.362 176.150 174.700 0.146 0.000 0.992 64 T CA -0.979 61.108 62.100 -0.022 0.000 1.015 64 T CB 1.233 70.083 68.868 -0.029 0.000 1.044 64 T HN 0.176 nan 8.240 nan 0.000 0.520 65 V N 1.811 121.907 119.914 0.303 0.000 2.380 65 V HA -0.181 3.940 4.120 0.002 0.000 0.251 65 V C 2.213 178.388 176.094 0.134 0.000 1.063 65 V CA 2.643 65.075 62.300 0.219 0.000 1.055 65 V CB -1.046 30.913 31.823 0.226 0.000 0.657 65 V HN 1.111 nan 8.190 nan 0.000 0.455 66 D N -1.949 118.525 120.400 0.123 0.000 2.340 66 D HA 0.301 4.942 4.640 0.002 0.000 0.220 66 D C 1.372 177.700 176.300 0.047 0.000 1.039 66 D CA 0.952 54.999 54.000 0.077 0.000 0.866 66 D CB 0.569 41.413 40.800 0.075 0.000 0.913 66 D HN 0.402 nan 8.370 nan 0.000 0.523 67 G N 0.495 109.319 108.800 0.041 0.000 3.922 67 G HA2 -0.353 3.609 3.960 0.002 0.000 0.208 67 G HA3 -0.353 3.609 3.960 0.002 0.000 0.208 67 G C 0.219 175.099 174.900 -0.034 0.000 1.491 67 G CA -0.061 45.043 45.100 0.007 0.000 1.017 67 G HN 0.614 nan 8.290 nan 0.000 0.603 68 Q N 3.203 122.980 119.800 -0.037 0.000 2.955 68 Q HA 0.235 4.576 4.340 0.002 0.000 0.361 68 Q C -0.339 175.568 176.000 -0.154 0.000 1.060 68 Q CA 0.922 56.681 55.803 -0.075 0.000 1.177 68 Q CB -0.153 28.552 28.738 -0.055 0.000 0.991 68 Q HN 0.506 nan 8.270 nan 0.000 0.414 69 D N 4.194 124.491 120.400 -0.172 0.000 2.382 69 D HA 0.270 4.912 4.640 0.002 0.000 0.245 69 D C -0.086 175.989 176.300 -0.374 0.000 1.120 69 D CA 0.286 54.121 54.000 -0.275 0.000 0.890 69 D CB 0.589 41.270 40.800 -0.198 0.000 1.201 69 D HN 0.505 nan 8.370 nan 0.000 0.433 70 R N 0.892 120.982 120.500 -0.682 0.000 2.837 70 R HA 0.450 4.791 4.340 0.002 0.000 0.271 70 R C -0.503 175.379 176.300 -0.697 0.000 0.993 70 R CA -0.861 54.817 56.100 -0.703 0.000 0.931 70 R CB 2.210 31.963 30.300 -0.910 0.000 1.206 70 R HN 0.405 nan 8.270 nan 0.000 0.474 71 Q N 1.138 120.752 119.800 -0.311 0.000 2.351 71 Q HA 0.686 5.027 4.340 0.002 0.000 0.273 71 Q C -1.758 174.292 176.000 0.083 0.000 1.077 71 Q CA -0.826 54.926 55.803 -0.084 0.000 0.843 71 Q CB 2.589 31.298 28.738 -0.048 0.000 1.367 71 Q HN 0.384 nan 8.270 nan 0.000 0.449 72 V N 2.322 122.359 119.914 0.204 0.000 2.969 72 V HA 0.392 4.513 4.120 0.002 0.000 0.304 72 V C -1.477 174.693 176.094 0.127 0.000 1.192 72 V CA -0.859 61.577 62.300 0.225 0.000 0.962 72 V CB 2.176 34.228 31.823 0.382 0.000 1.045 72 V HN 0.796 nan 8.190 nan 0.000 0.428 73 K N 3.770 124.212 120.400 0.069 0.000 2.382 73 K HA 0.232 4.553 4.320 0.002 0.000 0.275 73 K C 1.061 177.641 176.600 -0.033 0.000 1.009 73 K CA 0.132 56.415 56.287 -0.007 0.000 0.970 73 K CB 1.076 33.575 32.500 -0.001 0.000 0.934 73 K HN 0.758 nan 8.250 nan 0.000 0.479 74 K N 1.861 122.154 120.400 -0.177 0.000 2.152 74 K HA -0.178 4.143 4.320 0.002 0.000 0.206 74 K C 0.924 177.492 176.600 -0.053 0.000 1.048 74 K CA 1.706 57.849 56.287 -0.240 0.000 0.933 74 K CB 0.106 32.356 32.500 -0.417 0.000 0.721 74 K HN 0.474 nan 8.250 nan 0.000 0.447 75 D N 0.548 120.924 120.400 -0.040 0.000 2.312 75 D HA -0.074 4.568 4.640 0.002 0.000 0.211 75 D C 0.703 177.018 176.300 0.025 0.000 0.964 75 D CA 0.914 54.910 54.000 -0.006 0.000 0.877 75 D CB 0.095 40.887 40.800 -0.013 0.000 0.924 75 D HN 0.142 nan 8.370 nan 0.000 0.515 76 D N -0.286 120.139 120.400 0.043 0.000 2.369 76 D HA 0.160 4.801 4.640 0.002 0.000 0.211 76 D C 0.391 176.750 176.300 0.100 0.000 1.077 76 D CA 0.012 54.054 54.000 0.071 0.000 0.842 76 D CB 0.314 41.162 40.800 0.080 0.000 0.947 76 D HN 0.019 nan 8.370 nan 0.000 0.509 77 A N 0.976 123.862 122.820 0.109 0.000 2.363 77 A HA 0.304 4.625 4.320 0.002 0.000 0.270 77 A C 0.281 177.908 177.584 0.071 0.000 1.121 77 A CA -0.431 51.687 52.037 0.135 0.000 0.800 77 A CB 0.378 19.546 19.000 0.281 0.000 1.052 77 A HN -0.074 nan 8.150 nan 0.000 0.493 78 N N 2.984 121.718 118.700 0.057 0.000 2.801 78 N HA 0.117 4.859 4.740 0.002 0.000 0.235 78 N C -0.548 174.942 175.510 -0.033 0.000 1.069 78 N CA 0.034 53.109 53.050 0.042 0.000 0.946 78 N CB 0.992 39.537 38.487 0.096 0.000 1.212 78 N HN 0.700 nan 8.380 nan 0.000 0.509 79 Q N 0.755 120.416 119.800 -0.231 0.000 2.373 79 Q HA 0.123 4.464 4.340 0.002 0.000 0.255 79 Q C 0.419 176.289 176.000 -0.217 0.000 0.980 79 Q CA 0.074 55.604 55.803 -0.455 0.000 0.882 79 Q CB 1.748 29.848 28.738 -1.063 0.000 1.249 79 Q HN 0.321 nan 8.270 nan 0.000 0.438 80 R N 2.380 122.718 120.500 -0.269 0.000 2.340 80 R HA 0.087 4.428 4.340 0.002 0.000 0.300 80 R C -0.327 176.106 176.300 0.221 0.000 1.069 80 R CA -0.453 55.532 56.100 -0.191 0.000 0.984 80 R CB 0.572 30.429 30.300 -0.738 0.000 1.003 80 R HN 0.590 nan 8.270 nan 0.000 0.459 81 N N 4.750 123.663 118.700 0.355 0.000 2.407 81 N HA 0.040 4.782 4.740 0.002 0.000 0.250 81 N C -2.286 173.387 175.510 0.272 0.000 1.236 81 N CA -0.640 52.584 53.050 0.290 0.000 0.879 81 N CB 0.443 39.016 38.487 0.142 0.000 1.088 81 N HN 0.470 nan 8.380 nan 0.000 0.450 82 P HA -0.026 nan 4.420 nan 0.000 0.265 82 P C 1.124 178.570 177.300 0.242 0.000 1.187 82 P CA 0.140 63.388 63.100 0.247 0.000 0.766 82 P CB 0.328 32.164 31.700 0.227 0.000 0.820 83 I N 1.544 122.180 120.570 0.110 0.000 3.176 83 I HA -0.163 4.008 4.170 0.002 0.000 0.275 83 I C 1.554 177.702 176.117 0.053 0.000 1.298 83 I CA 0.803 62.158 61.300 0.092 0.000 1.445 83 I CB -0.731 37.282 38.000 0.023 0.000 1.075 83 I HN 0.247 nan 8.210 nan 0.000 0.482 84 K N 1.051 121.428 120.400 -0.039 0.000 2.360 84 K HA -0.103 4.219 4.320 0.002 0.000 0.201 84 K C 1.246 177.729 176.600 -0.195 0.000 1.046 84 K CA 1.478 57.671 56.287 -0.157 0.000 0.945 84 K CB -0.629 31.702 32.500 -0.282 0.000 0.750 84 K HN 0.342 nan 8.250 nan 0.000 0.464 85 F N 1.914 121.884 119.950 0.033 0.000 2.780 85 F HA 0.098 4.627 4.527 0.002 0.000 0.299 85 F C 0.042 175.877 175.800 0.058 0.000 1.146 85 F CA -0.146 57.880 58.000 0.042 0.000 1.428 85 F CB -0.038 38.988 39.000 0.044 0.000 1.115 85 F HN -0.077 nan 8.300 nan 0.000 0.583 86 D N 0.213 120.740 120.400 0.212 0.000 2.339 86 D HA 0.384 5.026 4.640 0.002 0.000 0.256 86 D C 1.247 177.590 176.300 0.072 0.000 1.214 86 D CA 0.900 54.995 54.000 0.158 0.000 0.877 86 D CB 0.823 41.722 40.800 0.166 0.000 1.111 86 D HN 0.327 nan 8.370 nan 0.000 0.478 87 G N 1.580 110.406 108.800 0.042 0.000 2.179 87 G HA2 -0.248 3.713 3.960 0.002 0.000 0.220 87 G HA3 -0.248 3.713 3.960 0.002 0.000 0.220 87 G C 0.471 175.399 174.900 0.046 0.000 0.990 87 G CA -0.045 45.066 45.100 0.019 0.000 0.646 87 G HN 0.593 nan 8.290 nan 0.000 0.517 88 V N 1.086 121.057 119.914 0.095 0.000 2.720 88 V HA 0.175 4.296 4.120 0.002 0.000 0.307 88 V C 1.667 177.816 176.094 0.091 0.000 1.071 88 V CA 1.685 64.057 62.300 0.119 0.000 1.199 88 V CB 0.960 32.914 31.823 0.219 0.000 0.900 88 V HN 0.518 nan 8.190 nan 0.000 0.494 89 E N 2.915 123.173 120.200 0.097 0.000 2.208 89 E HA -0.048 4.303 4.350 0.002 0.000 0.193 89 E C 0.102 176.798 176.600 0.161 0.000 0.988 89 E CA 0.778 57.239 56.400 0.103 0.000 0.828 89 E CB 0.223 30.003 29.700 0.133 0.000 0.763 89 E HN 0.750 nan 8.360 nan 0.000 0.478 90 D N -0.508 119.995 120.400 0.171 0.000 2.505 90 D HA 0.149 4.791 4.640 0.002 0.000 0.250 90 D C 0.367 176.729 176.300 0.104 0.000 1.164 90 D CA -0.232 53.871 54.000 0.172 0.000 0.870 90 D CB 1.062 41.957 40.800 0.159 0.000 1.160 90 D HN -0.103 nan 8.370 nan 0.000 0.549 91 M N 1.518 121.158 119.600 0.066 0.000 2.630 91 M HA -0.091 4.390 4.480 0.002 0.000 0.254 91 M C 1.799 178.108 176.300 0.015 0.000 1.092 91 M CA 0.452 55.776 55.300 0.039 0.000 1.087 91 M CB 0.010 32.626 32.600 0.027 0.000 1.453 91 M HN 0.368 nan 8.290 nan 0.000 0.509 92 S N 0.066 115.773 115.700 0.012 0.000 2.507 92 S HA -0.096 4.375 4.470 0.002 0.000 0.235 92 S C 1.284 175.889 174.600 0.008 0.000 0.988 92 S CA 0.771 58.973 58.200 0.005 0.000 0.944 92 S CB -0.400 62.798 63.200 -0.003 0.000 0.762 92 S HN 0.561 nan 8.310 nan 0.000 0.526 93 E N 0.697 120.919 120.200 0.037 0.000 2.427 93 E HA 0.182 4.533 4.350 0.002 0.000 0.196 93 E C -0.002 176.560 176.600 -0.062 0.000 1.028 93 E CA -0.112 56.332 56.400 0.073 0.000 0.864 93 E CB -0.149 29.661 29.700 0.184 0.000 0.813 93 E HN 0.578 nan 8.360 nan 0.000 0.514 94 L N 1.129 122.228 121.223 -0.207 0.000 2.485 94 L HA -0.017 4.324 4.340 0.002 0.000 0.275 94 L C 1.432 177.939 176.870 -0.605 0.000 1.207 94 L CA -0.222 54.265 54.840 -0.589 0.000 0.855 94 L CB 0.875 42.754 42.059 -0.300 0.000 1.114 94 L HN 0.006 nan 8.230 nan 0.000 0.485 95 S N 0.728 115.851 115.700 -0.962 0.000 2.371 95 S HA -0.031 4.440 4.470 0.002 0.000 0.224 95 S C -0.085 174.236 174.600 -0.464 0.000 1.029 95 S CA 0.980 58.784 58.200 -0.659 0.000 0.978 95 S CB -0.052 62.614 63.200 -0.891 0.000 0.833 95 S HN 0.349 nan 8.310 nan 0.000 0.466 96 Y N 0.722 120.922 120.300 -0.167 0.000 2.331 96 Y HA 0.601 5.153 4.550 0.002 0.000 0.338 96 Y C -0.427 175.446 175.900 -0.045 0.000 0.976 96 Y CA -1.710 56.355 58.100 -0.058 0.000 1.137 96 Y CB 0.636 39.088 38.460 -0.013 0.000 1.172 96 Y HN -0.023 nan 8.280 nan 0.000 0.478 97 L N 6.375 127.684 121.223 0.143 0.000 2.297 97 L HA 0.466 4.807 4.340 0.002 0.000 0.277 97 L C -0.991 175.938 176.870 0.098 0.000 1.040 97 L CA -0.221 54.673 54.840 0.090 0.000 0.867 97 L CB -0.419 41.685 42.059 0.075 0.000 1.244 97 L HN 0.853 nan 8.230 nan 0.000 0.433 98 N N 0.339 119.089 118.700 0.083 0.000 2.774 98 N HA 0.353 5.095 4.740 0.002 0.000 0.264 98 N C 0.159 175.670 175.510 0.003 0.000 1.415 98 N CA -0.848 52.233 53.050 0.052 0.000 0.815 98 N CB 0.660 39.177 38.487 0.051 0.000 1.514 98 N HN 0.256 nan 8.380 nan 0.000 0.523 99 E N -0.601 119.587 120.200 -0.021 0.000 2.031 99 E HA -0.111 4.240 4.350 0.002 0.000 0.193 99 E C -0.918 175.582 176.600 -0.166 0.000 0.994 99 E CA 1.577 57.947 56.400 -0.050 0.000 0.800 99 E CB -0.873 28.827 29.700 0.001 0.000 0.752 99 E HN 0.594 nan 8.360 nan 0.000 0.447 100 P HA -0.122 nan 4.420 nan 0.000 0.220 100 P C 0.979 177.854 177.300 -0.708 0.000 1.148 100 P CA 1.482 64.078 63.100 -0.841 0.000 0.803 100 P CB 0.115 30.810 31.700 -1.676 0.000 0.782 101 A N -0.042 122.574 122.820 -0.340 0.000 1.897 101 A HA -0.057 4.264 4.320 0.002 0.000 0.215 101 A C 2.445 180.035 177.584 0.010 0.000 1.181 101 A CA 1.379 53.397 52.037 -0.032 0.000 0.620 101 A CB -1.496 17.601 19.000 0.162 0.000 0.821 101 A HN 0.045 nan 8.150 nan 0.000 0.443 102 V N -1.000 118.918 119.914 0.006 0.000 2.307 102 V HA -0.189 3.933 4.120 0.002 0.000 0.245 102 V C 2.269 178.409 176.094 0.077 0.000 1.045 102 V CA 1.966 64.294 62.300 0.047 0.000 1.024 102 V CB -0.891 30.966 31.823 0.057 0.000 0.651 102 V HN 0.622 nan 8.190 nan 0.000 0.449 103 F N 1.200 121.067 119.950 -0.138 0.000 2.126 103 F HA -0.221 4.307 4.527 0.002 0.000 0.299 103 F C 2.404 178.112 175.800 -0.153 0.000 1.096 103 F CA 2.227 60.135 58.000 -0.152 0.000 1.255 103 F CB -0.902 37.985 39.000 -0.189 0.000 0.997 103 F HN 0.348 nan 8.300 nan 0.000 0.479 104 H N -0.118 118.705 119.070 -0.412 0.000 2.352 104 H HA -0.183 4.375 4.556 0.002 0.000 0.299 104 H C 2.169 177.380 175.328 -0.194 0.000 1.097 104 H CA 2.291 58.076 56.048 -0.439 0.000 1.311 104 H CB -0.630 28.942 29.762 -0.317 0.000 1.377 104 H HN 0.329 nan 8.280 nan 0.000 0.504 105 N N -0.312 118.318 118.700 -0.117 0.000 2.142 105 N HA -0.094 4.647 4.740 0.002 0.000 0.186 105 N C 1.894 177.332 175.510 -0.120 0.000 1.023 105 N CA 1.248 54.242 53.050 -0.094 0.000 0.852 105 N CB -0.227 38.274 38.487 0.023 0.000 0.998 105 N HN 0.398 nan 8.380 nan 0.000 0.424 106 L N 0.038 121.216 121.223 -0.076 0.000 2.131 106 L HA -0.100 4.241 4.340 0.002 0.000 0.210 106 L C 2.642 179.458 176.870 -0.089 0.000 1.092 106 L CA 0.910 55.727 54.840 -0.038 0.000 0.759 106 L CB -0.403 41.685 42.059 0.048 0.000 0.903 106 L HN 0.267 nan 8.230 nan 0.000 0.435 107 R N 0.132 120.476 120.500 -0.260 0.000 2.066 107 R HA -0.133 4.209 4.340 0.002 0.000 0.232 107 R C 2.222 178.399 176.300 -0.205 0.000 1.131 107 R CA 1.504 57.423 56.100 -0.301 0.000 0.955 107 R CB -0.178 29.762 30.300 -0.600 0.000 0.851 107 R HN 0.145 nan 8.270 nan 0.000 0.432 108 V N 1.333 121.051 119.914 -0.326 0.000 2.343 108 V HA -0.245 3.876 4.120 0.002 0.000 0.247 108 V C 2.497 178.531 176.094 -0.101 0.000 1.051 108 V CA 2.029 64.196 62.300 -0.221 0.000 1.036 108 V CB -0.540 31.128 31.823 -0.258 0.000 0.654 108 V HN 0.396 nan 8.190 nan 0.000 0.451 109 R N -1.373 119.082 120.500 -0.074 0.000 2.066 109 R HA -0.170 4.172 4.340 0.002 0.000 0.232 109 R C 2.356 178.649 176.300 -0.011 0.000 1.131 109 R CA 1.929 58.006 56.100 -0.039 0.000 0.955 109 R CB -0.545 29.737 30.300 -0.030 0.000 0.851 109 R HN 0.550 nan 8.270 nan 0.000 0.432 110 Y N 2.328 122.560 120.300 -0.114 0.000 2.165 110 Y HA -0.215 4.336 4.550 0.003 0.000 0.286 110 Y C 1.805 177.657 175.900 -0.079 0.000 1.155 110 Y CA 1.485 59.526 58.100 -0.098 0.000 1.164 110 Y CB -0.246 38.168 38.460 -0.077 0.000 0.978 110 Y HN 0.045 nan 8.280 nan 0.000 0.513 111 N N 0.510 119.225 118.700 0.026 0.000 2.334 111 N HA -0.191 4.551 4.740 0.002 0.000 0.187 111 N C 0.659 176.112 175.510 -0.094 0.000 1.016 111 N CA 1.709 54.735 53.050 -0.040 0.000 0.879 111 N CB -0.352 38.121 38.487 -0.023 0.000 0.965 111 N HN 0.714 nan 8.380 nan 0.000 0.438 112 Q N -0.406 119.333 119.800 -0.102 0.000 2.165 112 Q HA 0.247 4.589 4.340 0.002 0.000 0.245 112 Q C -0.905 175.019 176.000 -0.126 0.000 0.841 112 Q CA -0.317 55.427 55.803 -0.099 0.000 1.078 112 Q CB 0.343 29.039 28.738 -0.070 0.000 1.169 112 Q HN -0.122 nan 8.270 nan 0.000 0.475 113 D N 0.779 121.052 120.400 -0.213 0.000 2.945 113 D HA -0.160 4.481 4.640 0.002 0.000 0.225 113 D C -0.852 175.327 176.300 -0.203 0.000 1.158 113 D CA 0.764 54.611 54.000 -0.255 0.000 0.805 113 D CB -1.236 39.468 40.800 -0.161 0.000 1.098 113 D HN 0.481 nan 8.370 nan 0.000 0.426 114 L N 1.433 122.558 121.223 -0.163 0.000 2.288 114 L HA 0.328 4.669 4.340 0.002 0.000 0.283 114 L C 2.081 178.864 176.870 -0.146 0.000 1.072 114 L CA -0.464 54.293 54.840 -0.139 0.000 0.862 114 L CB 0.409 42.413 42.059 -0.092 0.000 1.245 114 L HN 0.100 nan 8.230 nan 0.000 0.432 115 I N -1.330 119.075 120.570 -0.276 0.000 3.226 115 I HA 0.074 4.246 4.170 0.002 0.000 0.277 115 I C -0.098 175.767 176.117 -0.420 0.000 1.243 115 I CA 0.263 61.376 61.300 -0.311 0.000 1.459 115 I CB 0.070 37.779 38.000 -0.484 0.000 1.093 115 I HN 0.211 nan 8.210 nan 0.000 0.453 116 Y N 1.858 122.059 120.300 -0.165 0.000 2.342 116 Y HA 0.627 5.178 4.550 0.002 0.000 0.334 116 Y C -0.023 175.732 175.900 -0.242 0.000 1.067 116 Y CA -0.880 57.087 58.100 -0.222 0.000 1.128 116 Y CB 1.752 40.018 38.460 -0.324 0.000 1.200 116 Y HN -0.086 nan 8.280 nan 0.000 0.464 117 T N 2.698 117.200 114.554 -0.087 0.000 2.993 117 T HA 0.355 4.706 4.350 0.002 0.000 0.312 117 T C -1.343 173.229 174.700 -0.213 0.000 1.115 117 T CA -0.923 61.086 62.100 -0.152 0.000 1.027 117 T CB 0.623 69.466 68.868 -0.043 0.000 1.116 117 T HN 0.178 nan 8.240 nan 0.000 0.464 118 Y N 1.329 121.642 120.300 0.023 0.000 2.304 118 Y HA 0.484 5.036 4.550 0.002 0.000 0.327 118 Y C 1.180 177.003 175.900 -0.129 0.000 1.209 118 Y CA -0.616 57.457 58.100 -0.044 0.000 1.299 118 Y CB 1.094 39.535 38.460 -0.032 0.000 1.249 118 Y HN 0.588 nan 8.280 nan 0.000 0.519 119 S N 2.231 117.850 115.700 -0.135 0.000 2.060 119 S HA 0.545 5.016 4.470 0.002 0.000 0.156 119 S C 0.366 174.623 174.600 -0.571 0.000 1.690 119 S CA 0.139 58.127 58.200 -0.353 0.000 1.238 119 S CB -0.987 61.949 63.200 -0.440 0.000 1.150 119 S HN 1.257 nan 8.310 nan 0.000 0.437 120 G N 3.366 112.025 108.800 -0.235 0.000 2.531 120 G HA2 -0.288 3.673 3.960 0.002 0.000 0.274 120 G HA3 -0.288 3.673 3.960 0.002 0.000 0.274 120 G C 0.575 175.361 174.900 -0.190 0.000 1.159 120 G CA 0.287 45.273 45.100 -0.191 0.000 0.969 120 G HN 0.740 nan 8.290 nan 0.000 0.554 121 L N 1.201 122.357 121.223 -0.112 0.000 2.275 121 L HA 0.280 4.621 4.340 0.002 0.000 0.215 121 L C 1.341 178.329 176.870 0.196 0.000 1.119 121 L CA 1.326 56.193 54.840 0.045 0.000 0.790 121 L CB -0.428 41.714 42.059 0.140 0.000 0.919 121 L HN 0.446 nan 8.230 nan 0.000 0.443 122 F N -2.545 117.540 119.950 0.225 0.000 2.618 122 F HA 0.648 5.176 4.527 0.002 0.000 0.332 122 F C -0.570 175.443 175.800 0.355 0.000 1.061 122 F CA -2.024 56.165 58.000 0.314 0.000 0.974 122 F CB 0.620 39.848 39.000 0.380 0.000 1.310 122 F HN -0.418 nan 8.300 nan 0.000 0.491 123 L N 1.959 123.489 121.223 0.511 0.000 2.307 123 L HA 0.724 5.066 4.340 0.002 0.000 0.282 123 L C -0.952 176.101 176.870 0.305 0.000 1.051 123 L CA -0.672 54.367 54.840 0.332 0.000 0.804 123 L CB 1.564 43.774 42.059 0.252 0.000 1.197 123 L HN 0.581 nan 8.230 nan 0.000 0.431 124 V N 4.385 124.409 119.914 0.183 0.000 2.483 124 V HA 0.834 4.955 4.120 0.002 0.000 0.295 124 V C -0.011 176.158 176.094 0.125 0.000 1.035 124 V CA -0.391 62.005 62.300 0.159 0.000 0.896 124 V CB 1.315 33.208 31.823 0.117 0.000 0.986 124 V HN 0.959 nan 8.190 nan 0.000 0.447 125 A N 4.550 127.428 122.820 0.096 0.000 2.340 125 A HA 0.772 5.093 4.320 0.002 0.000 0.297 125 A C -0.947 176.590 177.584 -0.078 0.000 1.195 125 A CA -0.459 51.584 52.037 0.009 0.000 0.769 125 A CB 1.357 20.436 19.000 0.132 0.000 1.163 125 A HN 0.616 nan 8.150 nan 0.000 0.472 126 V N 3.416 123.256 119.914 -0.123 0.000 2.370 126 V HA 0.207 4.328 4.120 0.002 0.000 0.279 126 V C 0.447 176.500 176.094 -0.069 0.000 1.029 126 V CA -0.964 61.273 62.300 -0.105 0.000 0.870 126 V CB 1.317 33.052 31.823 -0.147 0.000 0.984 126 V HN 0.901 nan 8.190 nan 0.000 0.451 127 N N 8.057 126.668 118.700 -0.148 0.000 2.411 127 N HA 0.063 4.804 4.740 0.002 0.000 0.265 127 N C -1.198 174.261 175.510 -0.086 0.000 1.266 127 N CA -1.389 51.493 53.050 -0.281 0.000 0.889 127 N CB 1.464 39.580 38.487 -0.617 0.000 1.069 127 N HN 0.356 nan 8.380 nan 0.000 0.476 128 P HA -0.011 nan 4.420 nan 0.000 0.227 128 P C -0.043 177.311 177.300 0.089 0.000 1.161 128 P CA 0.285 63.381 63.100 -0.007 0.000 0.788 128 P CB -0.019 31.597 31.700 -0.140 0.000 0.822 129 F N 0.008 119.988 119.950 0.051 0.000 3.097 129 F HA -0.271 4.258 4.527 0.002 0.000 0.278 129 F C 0.724 176.529 175.800 0.009 0.000 0.917 129 F CA 1.266 59.286 58.000 0.033 0.000 0.962 129 F CB -2.223 36.806 39.000 0.048 0.000 0.964 129 F HN 0.221 nan 8.300 nan 0.000 0.668 130 K N -2.873 117.589 120.400 0.103 0.000 2.615 130 K HA 0.769 5.090 4.320 0.002 0.000 0.291 130 K C -0.636 175.972 176.600 0.014 0.000 1.017 130 K CA -1.338 54.984 56.287 0.058 0.000 0.882 130 K CB 1.386 33.907 32.500 0.034 0.000 1.522 130 K HN -0.204 nan 8.250 nan 0.000 0.412 131 R N 0.649 121.156 120.500 0.012 0.000 2.390 131 R HA 0.507 4.849 4.340 0.002 0.000 0.291 131 R C -0.169 176.109 176.300 -0.038 0.000 1.070 131 R CA -0.423 55.682 56.100 0.009 0.000 1.014 131 R CB -0.187 30.123 30.300 0.016 0.000 1.007 131 R HN 0.504 nan 8.270 nan 0.000 0.466 132 I N 3.684 124.222 120.570 -0.054 0.000 2.498 132 I HA 0.344 4.515 4.170 0.002 0.000 0.290 132 I C -1.881 174.082 176.117 -0.257 0.000 1.032 132 I CA -2.504 58.692 61.300 -0.174 0.000 1.073 132 I CB 2.863 40.747 38.000 -0.192 0.000 1.251 132 I HN 0.523 nan 8.210 nan 0.000 0.426 133 P HA 0.192 nan 4.420 nan 0.000 0.220 133 P C 0.342 177.419 177.300 -0.370 0.000 1.806 133 P CA 0.173 63.042 63.100 -0.384 0.000 0.976 133 P CB -0.503 30.888 31.700 -0.515 0.000 1.952 134 I N -4.408 115.896 120.570 -0.444 0.000 3.974 134 I HA 0.288 4.459 4.170 0.002 0.000 0.334 134 I C -0.230 175.655 176.117 -0.387 0.000 1.437 134 I CA -0.483 60.577 61.300 -0.400 0.000 1.113 134 I CB -0.089 37.615 38.000 -0.494 0.000 1.063 134 I HN -0.181 nan 8.210 nan 0.000 0.400 135 Y N 1.786 122.166 120.300 0.134 0.000 2.706 135 Y HA 0.284 4.835 4.550 0.002 0.000 0.255 135 Y C 1.387 177.487 175.900 0.332 0.000 1.163 135 Y CA -1.009 57.256 58.100 0.274 0.000 1.174 135 Y CB -0.314 38.251 38.460 0.176 0.000 1.200 135 Y HN 0.166 nan 8.280 nan 0.000 0.544 136 T N -3.329 111.429 114.554 0.339 0.000 2.788 136 T HA 0.038 4.390 4.350 0.002 0.000 0.287 136 T C 1.325 176.170 174.700 0.241 0.000 1.007 136 T CA -0.375 61.870 62.100 0.242 0.000 1.005 136 T CB 1.137 70.100 68.868 0.159 0.000 1.012 136 T HN 0.150 nan 8.240 nan 0.000 0.530 137 Q N 0.371 120.260 119.800 0.148 0.000 2.135 137 Q HA -0.148 4.194 4.340 0.002 0.000 0.204 137 Q C 1.978 178.042 176.000 0.106 0.000 0.981 137 Q CA 2.011 57.871 55.803 0.095 0.000 0.856 137 Q CB -0.563 28.205 28.738 0.051 0.000 0.902 137 Q HN 0.872 nan 8.270 nan 0.000 0.425 138 E N -1.051 119.224 120.200 0.124 0.000 2.153 138 E HA -0.147 4.204 4.350 0.002 0.000 0.194 138 E C 1.777 178.488 176.600 0.185 0.000 0.988 138 E CA 1.353 57.828 56.400 0.125 0.000 0.811 138 E CB -0.089 29.681 29.700 0.116 0.000 0.746 138 E HN 0.365 nan 8.360 nan 0.000 0.466 139 M N 0.024 119.787 119.600 0.271 0.000 2.099 139 M HA -0.103 4.378 4.480 0.002 0.000 0.262 139 M C 2.297 178.900 176.300 0.506 0.000 1.067 139 M CA 1.002 56.557 55.300 0.425 0.000 1.124 139 M CB -0.717 32.161 32.600 0.463 0.000 1.353 139 M HN 0.058 nan 8.290 nan 0.000 0.410 140 V N 1.251 121.365 119.914 0.332 0.000 2.252 140 V HA -0.304 3.817 4.120 0.002 0.000 0.249 140 V C 1.970 178.160 176.094 0.161 0.000 1.056 140 V CA 2.144 64.491 62.300 0.078 0.000 1.022 140 V CB -0.877 30.834 31.823 -0.186 0.000 0.641 140 V HN 0.372 nan 8.190 nan 0.000 0.445 141 D N -0.334 120.124 120.400 0.097 0.000 2.178 141 D HA -0.115 4.526 4.640 0.002 0.000 0.201 141 D C 2.014 178.352 176.300 0.064 0.000 0.980 141 D CA 1.197 55.227 54.000 0.049 0.000 0.842 141 D CB -0.194 40.622 40.800 0.027 0.000 0.948 141 D HN 0.436 nan 8.370 nan 0.000 0.472 142 I N -0.268 120.360 120.570 0.097 0.000 2.315 142 I HA -0.232 3.940 4.170 0.002 0.000 0.248 142 I C 1.796 177.834 176.117 -0.132 0.000 1.117 142 I CA 0.812 62.077 61.300 -0.058 0.000 1.404 142 I CB -0.138 37.787 38.000 -0.124 0.000 1.071 142 I HN -0.113 nan 8.210 nan 0.000 0.419 143 F N 0.961 120.968 119.950 0.095 0.000 2.615 143 F HA 0.022 4.550 4.527 0.002 0.000 0.297 143 F C 1.438 177.332 175.800 0.155 0.000 1.124 143 F CA 0.312 58.378 58.000 0.110 0.000 1.451 143 F CB -0.191 38.863 39.000 0.089 0.000 1.103 143 F HN -0.144 nan 8.300 nan 0.000 0.569 144 K N 0.591 121.163 120.400 0.287 0.000 2.430 144 K HA 0.171 4.492 4.320 0.002 0.000 0.280 144 K C 1.232 177.904 176.600 0.121 0.000 1.063 144 K CA 0.937 57.341 56.287 0.195 0.000 1.071 144 K CB -0.156 32.366 32.500 0.038 0.000 0.899 144 K HN 0.399 nan 8.250 nan 0.000 0.473 145 G N 3.637 112.525 108.800 0.146 0.000 2.184 145 G HA2 -0.260 3.701 3.960 0.002 0.000 0.264 145 G HA3 -0.260 3.701 3.960 0.002 0.000 0.264 145 G C -0.140 174.795 174.900 0.057 0.000 0.975 145 G CA -0.002 45.149 45.100 0.084 0.000 0.642 145 G HN 0.591 nan 8.290 nan 0.000 0.536 146 R N 0.817 121.359 120.500 0.069 0.000 2.340 146 R HA 0.413 4.755 4.340 0.002 0.000 0.300 146 R C 1.028 177.359 176.300 0.052 0.000 1.069 146 R CA -0.479 55.638 56.100 0.029 0.000 0.984 146 R CB 0.482 30.763 30.300 -0.032 0.000 1.003 146 R HN 0.454 nan 8.270 nan 0.000 0.459 147 R N 1.219 121.734 120.500 0.025 0.000 2.784 147 R HA 0.036 4.377 4.340 0.002 0.000 0.266 147 R C 1.629 177.953 176.300 0.040 0.000 1.044 147 R CA -0.135 55.978 56.100 0.022 0.000 1.151 147 R CB 0.587 30.889 30.300 0.004 0.000 1.037 147 R HN 0.545 nan 8.270 nan 0.000 0.478 148 R N 1.462 121.974 120.500 0.020 0.000 2.091 148 R HA -0.185 4.156 4.340 0.002 0.000 0.238 148 R C 1.295 177.618 176.300 0.037 0.000 1.136 148 R CA 2.175 58.287 56.100 0.020 0.000 0.959 148 R CB -0.139 30.089 30.300 -0.120 0.000 0.856 148 R HN 0.671 nan 8.270 nan 0.000 0.437 149 N N -0.005 118.698 118.700 0.005 0.000 2.461 149 N HA -0.090 4.651 4.740 0.002 0.000 0.188 149 N C 0.512 176.052 175.510 0.049 0.000 1.134 149 N CA 0.687 53.753 53.050 0.028 0.000 0.878 149 N CB 0.108 38.598 38.487 0.004 0.000 0.972 149 N HN 0.383 nan 8.380 nan 0.000 0.456 150 E N -0.203 120.021 120.200 0.040 0.000 2.385 150 E HA 0.059 4.410 4.350 0.002 0.000 0.194 150 E C 0.148 176.749 176.600 0.001 0.000 1.013 150 E CA 0.252 56.663 56.400 0.017 0.000 0.866 150 E CB 0.562 30.256 29.700 -0.011 0.000 0.832 150 E HN 0.386 nan 8.360 nan 0.000 0.500 151 V N -3.037 116.914 119.914 0.063 0.000 3.159 151 V HA 0.742 4.863 4.120 0.002 0.000 0.308 151 V C -0.312 175.935 176.094 0.254 0.000 1.190 151 V CA -1.357 60.986 62.300 0.071 0.000 1.037 151 V CB 1.386 33.105 31.823 -0.173 0.000 1.060 151 V HN -0.045 nan 8.190 nan 0.000 0.437 152 A N 1.390 124.394 122.820 0.307 0.000 2.346 152 A HA 0.734 5.056 4.320 0.002 0.000 0.252 152 A C -2.417 175.370 177.584 0.338 0.000 1.089 152 A CA -1.251 50.925 52.037 0.231 0.000 0.797 152 A CB -0.661 18.348 19.000 0.014 0.000 1.047 152 A HN 0.820 nan 8.150 nan 0.000 0.494 153 P HA 0.197 nan 4.420 nan 0.000 0.265 153 P C -0.423 176.819 177.300 -0.096 0.000 1.193 153 P CA 0.886 63.847 63.100 -0.232 0.000 0.765 153 P CB 0.290 31.662 31.700 -0.548 0.000 0.823 154 H N 2.013 120.821 119.070 -0.436 0.000 3.060 154 H HA 0.107 4.664 4.556 0.002 0.000 0.330 154 H C 0.331 175.043 175.328 -1.027 0.000 1.305 154 H CA -0.533 54.965 56.048 -0.916 0.000 1.209 154 H CB 1.105 30.299 29.762 -0.947 0.000 1.913 154 H HN 0.180 nan 8.280 nan 0.000 0.534 155 I N 2.858 122.639 120.570 -1.315 0.000 2.286 155 I HA -0.206 3.965 4.170 0.002 0.000 0.248 155 I C 1.601 177.591 176.117 -0.212 0.000 1.115 155 I CA 1.314 62.262 61.300 -0.588 0.000 1.392 155 I CB -0.523 37.211 38.000 -0.443 0.000 1.065 155 I HN 0.443 nan 8.210 nan 0.000 0.418 156 F N 0.976 120.731 119.950 -0.326 0.000 2.161 156 F HA -0.150 4.378 4.527 0.002 0.000 0.300 156 F C 2.588 177.832 175.800 -0.927 0.000 1.089 156 F CA 0.882 58.276 58.000 -1.010 0.000 1.282 156 F CB -1.874 36.259 39.000 -1.445 0.000 1.010 156 F HN 0.176 nan 8.300 nan 0.000 0.485 157 A N 0.118 122.711 122.820 -0.378 0.000 1.898 157 A HA -0.147 4.174 4.320 0.002 0.000 0.216 157 A C 2.304 179.882 177.584 -0.010 0.000 1.181 157 A CA 1.450 53.485 52.037 -0.002 0.000 0.620 157 A CB -1.127 18.054 19.000 0.300 0.000 0.819 157 A HN 0.374 nan 8.150 nan 0.000 0.442 158 I N -0.549 120.014 120.570 -0.012 0.000 2.493 158 I HA -0.167 4.004 4.170 0.002 0.000 0.254 158 I C 2.263 178.313 176.117 -0.110 0.000 1.160 158 I CA 1.469 62.766 61.300 -0.005 0.000 1.445 158 I CB 0.047 38.102 38.000 0.092 0.000 1.086 158 I HN 0.239 nan 8.210 nan 0.000 0.433 159 S N 0.195 115.816 115.700 -0.131 0.000 2.368 159 S HA -0.227 4.245 4.470 0.002 0.000 0.224 159 S C 1.792 176.393 174.600 0.002 0.000 1.029 159 S CA 1.545 59.697 58.200 -0.080 0.000 0.988 159 S CB -0.408 62.751 63.200 -0.067 0.000 0.838 159 S HN 0.582 nan 8.310 nan 0.000 0.462 160 D N 1.061 121.439 120.400 -0.038 0.000 2.117 160 D HA -0.097 4.544 4.640 0.002 0.000 0.197 160 D C 1.944 178.295 176.300 0.085 0.000 0.987 160 D CA 0.995 55.108 54.000 0.189 0.000 0.829 160 D CB 0.027 40.951 40.800 0.207 0.000 0.961 160 D HN 0.179 nan 8.370 nan 0.000 0.460 161 V N 1.540 121.446 119.914 -0.015 0.000 2.332 161 V HA -0.267 3.855 4.120 0.002 0.000 0.248 161 V C 2.694 178.694 176.094 -0.157 0.000 1.055 161 V CA 1.918 64.179 62.300 -0.064 0.000 1.038 161 V CB -0.785 31.006 31.823 -0.052 0.000 0.651 161 V HN 0.254 nan 8.190 nan 0.000 0.450 162 A N -1.169 121.455 122.820 -0.328 0.000 1.930 162 A HA -0.242 4.080 4.320 0.002 0.000 0.217 162 A C 2.156 179.649 177.584 -0.152 0.000 1.175 162 A CA 1.886 53.674 52.037 -0.415 0.000 0.627 162 A CB -0.713 17.967 19.000 -0.533 0.000 0.815 162 A HN 0.628 nan 8.150 nan 0.000 0.443 163 Y N 0.874 121.053 120.300 -0.201 0.000 2.145 163 Y HA -0.188 4.363 4.550 0.003 0.000 0.286 163 Y C 2.397 178.146 175.900 -0.252 0.000 1.145 163 Y CA 1.950 59.900 58.100 -0.249 0.000 1.148 163 Y CB -0.132 38.230 38.460 -0.163 0.000 0.981 163 Y HN 0.197 nan 8.280 nan 0.000 0.507 164 R N -0.411 119.922 120.500 -0.279 0.000 2.092 164 R HA -0.072 4.269 4.340 0.002 0.000 0.231 164 R C 2.413 178.547 176.300 -0.278 0.000 1.119 164 R CA 1.197 57.105 56.100 -0.320 0.000 0.970 164 R CB -1.214 28.996 30.300 -0.151 0.000 0.864 164 R HN 0.287 nan 8.270 nan 0.000 0.440 165 S N 1.442 117.027 115.700 -0.191 0.000 2.382 165 S HA -0.097 4.375 4.470 0.002 0.000 0.228 165 S C 1.842 176.307 174.600 -0.226 0.000 1.027 165 S CA 1.185 59.297 58.200 -0.147 0.000 0.991 165 S CB -0.141 63.045 63.200 -0.024 0.000 0.823 165 S HN 0.306 nan 8.310 nan 0.000 0.469 166 M N 0.998 120.412 119.600 -0.311 0.000 2.086 166 M HA -0.086 4.395 4.480 0.002 0.000 0.261 166 M C 1.744 177.698 176.300 -0.577 0.000 1.067 166 M CA 1.497 56.543 55.300 -0.423 0.000 1.116 166 M CB -0.267 32.047 32.600 -0.476 0.000 1.348 166 M HN 0.273 nan 8.290 nan 0.000 0.407 167 L N 0.044 120.900 121.223 -0.612 0.000 1.976 167 L HA -0.257 4.084 4.340 0.002 0.000 0.209 167 L C 2.118 178.760 176.870 -0.380 0.000 1.071 167 L CA 1.469 55.977 54.840 -0.553 0.000 0.746 167 L CB -1.176 40.532 42.059 -0.585 0.000 0.890 167 L HN 0.301 nan 8.230 nan 0.000 0.432 168 D N -0.130 120.089 120.400 -0.301 0.000 2.144 168 D HA -0.154 4.488 4.640 0.002 0.000 0.199 168 D C 1.459 177.657 176.300 -0.171 0.000 0.984 168 D CA 1.211 55.091 54.000 -0.201 0.000 0.834 168 D CB -0.180 40.525 40.800 -0.158 0.000 0.955 168 D HN 0.341 nan 8.370 nan 0.000 0.465 169 D N -0.364 119.922 120.400 -0.190 0.000 2.379 169 D HA 0.089 4.730 4.640 0.002 0.000 0.208 169 D C 0.097 176.313 176.300 -0.140 0.000 1.065 169 D CA -0.102 53.816 54.000 -0.138 0.000 0.848 169 D CB 0.331 41.065 40.800 -0.110 0.000 0.949 169 D HN 0.067 nan 8.370 nan 0.000 0.509 170 R N 0.453 120.808 120.500 -0.242 0.000 3.251 170 R HA -0.236 4.106 4.340 0.002 0.000 0.249 170 R C -0.162 176.098 176.300 -0.067 0.000 0.949 170 R CA 0.427 56.374 56.100 -0.254 0.000 0.645 170 R CB -1.999 28.298 30.300 -0.005 0.000 1.065 170 R HN 0.183 nan 8.270 nan 0.000 0.452 171 Q N 0.403 120.103 119.800 -0.167 0.000 2.315 171 Q HA 0.348 4.689 4.340 0.002 0.000 0.273 171 Q C -1.019 174.914 176.000 -0.111 0.000 1.053 171 Q CA -0.871 54.900 55.803 -0.053 0.000 0.817 171 Q CB 1.249 29.950 28.738 -0.063 0.000 1.326 171 Q HN 0.178 nan 8.270 nan 0.000 0.423 172 N N 2.808 121.434 118.700 -0.124 0.000 2.479 172 N HA 0.157 4.898 4.740 0.002 0.000 0.257 172 N C -0.747 174.590 175.510 -0.289 0.000 1.232 172 N CA 0.185 53.002 53.050 -0.389 0.000 0.920 172 N CB 0.684 38.685 38.487 -0.809 0.000 1.105 172 N HN 0.556 nan 8.380 nan 0.000 0.444 173 Q N -0.009 119.632 119.800 -0.266 0.000 2.433 173 Q HA 0.548 4.889 4.340 0.002 0.000 0.279 173 Q C -0.591 175.440 176.000 0.053 0.000 1.105 173 Q CA -0.769 55.017 55.803 -0.028 0.000 0.815 173 Q CB 2.022 30.802 28.738 0.070 0.000 1.403 173 Q HN 0.708 nan 8.270 nan 0.000 0.435 174 S N 0.076 115.861 115.700 0.142 0.000 2.570 174 S HA 0.794 5.265 4.470 0.002 0.000 0.286 174 S C -0.856 173.839 174.600 0.158 0.000 1.099 174 S CA -0.780 57.540 58.200 0.200 0.000 0.913 174 S CB 1.287 64.637 63.200 0.250 0.000 1.085 174 S HN 0.346 nan 8.310 nan 0.000 0.480 175 L N 1.626 122.928 121.223 0.131 0.000 2.319 175 L HA 0.532 4.874 4.340 0.002 0.000 0.281 175 L C -1.072 175.843 176.870 0.075 0.000 1.005 175 L CA -0.277 54.617 54.840 0.090 0.000 0.828 175 L CB 1.389 43.496 42.059 0.081 0.000 1.227 175 L HN 0.659 nan 8.230 nan 0.000 0.415 176 L N 5.596 126.822 121.223 0.005 0.000 2.294 176 L HA 0.543 4.885 4.340 0.002 0.000 0.283 176 L C -0.580 176.382 176.870 0.153 0.000 1.015 176 L CA -0.328 54.545 54.840 0.056 0.000 0.831 176 L CB 1.208 43.239 42.059 -0.047 0.000 1.217 176 L HN 0.480 nan 8.230 nan 0.000 0.420 177 I N 3.130 123.784 120.570 0.141 0.000 2.359 177 I HA 0.249 4.420 4.170 0.002 0.000 0.284 177 I C 0.630 176.819 176.117 0.119 0.000 1.018 177 I CA -0.259 61.121 61.300 0.134 0.000 1.173 177 I CB 1.740 39.802 38.000 0.103 0.000 1.326 177 I HN 0.590 nan 8.210 nan 0.000 0.462 178 T N 2.163 116.787 114.554 0.116 0.000 2.927 178 T HA 0.907 5.258 4.350 0.002 0.000 0.281 178 T C 0.070 174.808 174.700 0.063 0.000 0.998 178 T CA -0.745 61.404 62.100 0.081 0.000 1.019 178 T CB 2.091 70.975 68.868 0.026 0.000 1.061 178 T HN 0.897 nan 8.240 nan 0.000 0.518 179 G N 0.697 109.542 108.800 0.075 0.000 2.368 179 G HA2 0.393 4.354 3.960 0.002 0.000 0.301 179 G HA3 0.393 4.354 3.960 0.002 0.000 0.301 179 G C -0.919 174.041 174.900 0.100 0.000 1.640 179 G CA -0.577 44.562 45.100 0.065 0.000 0.941 179 G HN 1.081 nan 8.290 nan 0.000 0.695 180 E N 0.063 120.318 120.200 0.092 0.000 2.410 180 E HA 0.454 4.805 4.350 0.002 0.000 0.255 180 E C 0.643 177.300 176.600 0.096 0.000 1.194 180 E CA 0.060 56.537 56.400 0.129 0.000 0.955 180 E CB 0.769 30.530 29.700 0.102 0.000 0.988 180 E HN 0.573 nan 8.360 nan 0.000 0.461 181 S N 0.348 116.098 115.700 0.083 0.000 2.563 181 S HA 0.292 4.763 4.470 0.002 0.000 0.294 181 S C 1.059 175.718 174.600 0.099 0.000 1.279 181 S CA 0.759 59.002 58.200 0.073 0.000 1.069 181 S CB -0.521 62.707 63.200 0.046 0.000 0.828 181 S HN 1.018 nan 8.310 nan 0.000 0.497 182 G N 3.252 112.119 108.800 0.111 0.000 2.195 182 G HA2 -0.240 3.721 3.960 0.002 0.000 0.246 182 G HA3 -0.240 3.721 3.960 0.002 0.000 0.246 182 G C 0.953 175.911 174.900 0.097 0.000 0.984 182 G CA 0.401 45.601 45.100 0.167 0.000 0.633 182 G HN 1.402 nan 8.290 nan 0.000 0.525 183 A N -0.192 122.654 122.820 0.044 0.000 2.014 183 A HA 0.511 4.833 4.320 0.002 0.000 0.218 183 A C 2.533 180.062 177.584 -0.091 0.000 1.163 183 A CA 2.477 54.502 52.037 -0.020 0.000 0.652 183 A CB -0.342 18.662 19.000 0.006 0.000 0.808 183 A HN 2.468 nan 8.150 nan 0.000 0.449 184 G N -1.486 107.275 108.800 -0.065 0.000 2.200 184 G HA2 -0.141 3.820 3.960 0.002 0.000 0.145 184 G HA3 -0.141 3.820 3.960 0.002 0.000 0.145 184 G C 0.792 175.679 174.900 -0.021 0.000 1.021 184 G CA 0.411 45.464 45.100 -0.079 0.000 0.720 184 G HN 0.387 nan 8.290 nan 0.000 0.494 185 K N -0.005 120.400 120.400 0.007 0.000 2.026 185 K HA -0.048 4.273 4.320 0.002 0.000 0.208 185 K C 2.489 179.101 176.600 0.020 0.000 1.048 185 K CA 1.853 58.156 56.287 0.027 0.000 0.929 185 K CB -0.259 32.264 32.500 0.038 0.000 0.713 185 K HN 0.264 nan 8.250 nan 0.000 0.439 186 T N 1.401 115.963 114.554 0.013 0.000 2.777 186 T HA -0.087 4.265 4.350 0.002 0.000 0.266 186 T C 1.622 176.324 174.700 0.004 0.000 1.040 186 T CA 1.087 63.196 62.100 0.014 0.000 1.141 186 T CB -0.053 68.830 68.868 0.024 0.000 0.868 186 T HN 0.184 nan 8.240 nan 0.000 0.444 187 E N 1.509 121.700 120.200 -0.016 0.000 2.072 187 E HA -0.045 4.306 4.350 0.002 0.000 0.191 187 E C 2.207 178.763 176.600 -0.073 0.000 0.985 187 E CA 0.758 57.123 56.400 -0.059 0.000 0.801 187 E CB -0.416 29.229 29.700 -0.091 0.000 0.750 187 E HN 0.482 nan 8.360 nan 0.000 0.452 188 N N 0.326 119.007 118.700 -0.030 0.000 2.216 188 N HA -0.076 4.665 4.740 0.002 0.000 0.183 188 N C 1.772 177.293 175.510 0.018 0.000 1.017 188 N CA 1.160 54.210 53.050 -0.001 0.000 0.861 188 N CB -0.144 38.378 38.487 0.059 0.000 0.986 188 N HN 0.123 nan 8.380 nan 0.000 0.428 189 T N 1.827 116.396 114.554 0.024 0.000 2.624 189 T HA -0.160 4.191 4.350 0.002 0.000 0.268 189 T C 1.861 176.580 174.700 0.032 0.000 1.041 189 T CA 1.326 63.446 62.100 0.033 0.000 1.159 189 T CB -0.115 68.771 68.868 0.031 0.000 0.863 189 T HN 0.294 nan 8.240 nan 0.000 0.434 190 K N 0.397 120.807 120.400 0.016 0.000 2.147 190 K HA -0.060 4.261 4.320 0.002 0.000 0.205 190 K C 2.388 179.011 176.600 0.038 0.000 1.049 190 K CA 0.802 57.100 56.287 0.018 0.000 0.936 190 K CB 0.023 32.523 32.500 -0.000 0.000 0.722 190 K HN 0.141 nan 8.250 nan 0.000 0.446 191 K N 0.545 120.961 120.400 0.027 0.000 2.103 191 K HA -0.041 4.281 4.320 0.002 0.000 0.204 191 K C 2.128 178.905 176.600 0.293 0.000 1.052 191 K CA 0.714 57.093 56.287 0.153 0.000 0.945 191 K CB -0.465 32.052 32.500 0.028 0.000 0.722 191 K HN -0.030 nan 8.250 nan 0.000 0.443 192 V N 2.097 122.119 119.914 0.180 0.000 2.295 192 V HA -0.237 3.884 4.120 0.002 0.000 0.246 192 V C 2.317 178.505 176.094 0.157 0.000 1.049 192 V CA 1.359 63.767 62.300 0.180 0.000 1.024 192 V CB -0.406 31.479 31.823 0.103 0.000 0.648 192 V HN 0.104 nan 8.190 nan 0.000 0.447 193 I N -0.029 120.598 120.570 0.095 0.000 2.142 193 I HA -0.273 3.899 4.170 0.002 0.000 0.240 193 I C 2.552 178.689 176.117 0.034 0.000 1.078 193 I CA 1.618 62.946 61.300 0.047 0.000 1.343 193 I CB -1.547 36.465 38.000 0.019 0.000 1.046 193 I HN 0.467 nan 8.210 nan 0.000 0.405 194 Q N 0.109 119.945 119.800 0.061 0.000 2.062 194 Q HA -0.310 4.031 4.340 0.002 0.000 0.209 194 Q C 2.505 178.478 176.000 -0.046 0.000 0.996 194 Q CA 2.386 58.211 55.803 0.037 0.000 0.859 194 Q CB -0.467 28.340 28.738 0.115 0.000 0.920 194 Q HN 0.538 nan 8.270 nan 0.000 0.415 195 Y N 0.578 120.789 120.300 -0.148 0.000 2.163 195 Y HA -0.174 4.377 4.550 0.003 0.000 0.288 195 Y C 1.963 177.717 175.900 -0.243 0.000 1.136 195 Y CA 1.646 59.530 58.100 -0.360 0.000 1.147 195 Y CB -0.225 38.000 38.460 -0.391 0.000 0.987 195 Y HN 0.115 nan 8.280 nan 0.000 0.509 196 L N -0.660 120.506 121.223 -0.095 0.000 2.109 196 L HA -0.150 4.192 4.340 0.002 0.000 0.207 196 L C 2.691 179.449 176.870 -0.188 0.000 1.086 196 L CA 1.012 55.771 54.840 -0.134 0.000 0.760 196 L CB -0.850 41.264 42.059 0.093 0.000 0.910 196 L HN 0.317 nan 8.230 nan 0.000 0.437 197 A N -1.072 121.660 122.820 -0.145 0.000 1.969 197 A HA -0.191 4.130 4.320 0.002 0.000 0.218 197 A C 2.523 180.010 177.584 -0.162 0.000 1.169 197 A CA 1.926 53.884 52.037 -0.131 0.000 0.635 197 A CB -0.436 18.506 19.000 -0.096 0.000 0.810 197 A HN 0.369 nan 8.150 nan 0.000 0.445 198 S N -0.343 115.210 115.700 -0.244 0.000 2.336 198 S HA -0.114 4.357 4.470 0.002 0.000 0.216 198 S C 2.042 176.455 174.600 -0.312 0.000 1.032 198 S CA 1.749 59.794 58.200 -0.260 0.000 0.973 198 S CB -0.729 62.291 63.200 -0.299 0.000 0.888 198 S HN 0.983 nan 8.310 nan 0.000 0.455 199 V N 0.154 119.753 119.914 -0.525 0.000 2.913 199 V HA 0.352 4.473 4.120 0.002 0.000 0.260 199 V C 1.771 177.641 176.094 -0.373 0.000 1.098 199 V CA 1.523 63.528 62.300 -0.492 0.000 1.121 199 V CB -0.912 30.494 31.823 -0.696 0.000 0.714 199 V HN 0.520 nan 8.190 nan 0.000 0.487 200 A N -0.220 122.399 122.820 -0.334 0.000 2.423 200 A HA 0.655 4.977 4.320 0.002 0.000 0.246 200 A C 1.232 178.884 177.584 0.113 0.000 1.278 200 A CA 0.561 52.513 52.037 -0.142 0.000 0.903 200 A CB -0.856 18.149 19.000 0.010 0.000 0.997 200 A HN 1.947 nan 8.150 nan 0.000 0.510 201 G N -1.999 106.844 108.800 0.072 0.000 2.705 201 G HA2 0.547 4.509 3.960 0.002 0.000 0.686 201 G HA3 0.547 4.509 3.960 0.002 0.000 0.686 201 G C -0.066 174.921 174.900 0.144 0.000 1.285 201 G CA 0.076 45.286 45.100 0.184 0.000 0.800 201 G HN 2.497 nan 8.290 nan 0.000 0.611 202 R N -1.473 119.061 120.500 0.057 0.000 4.621 202 R HA 0.596 4.937 4.340 0.002 0.000 0.290 202 R C 1.007 177.326 176.300 0.032 0.000 0.783 202 R CA 1.419 57.544 56.100 0.041 0.000 1.218 202 R CB -1.974 nan 30.300 nan 0.000 1.509 202 R HN 2.820 nan 8.270 nan 0.000 0.581 209 G N 0.276 109.053 108.800 -0.039 0.000 3.815 209 G HA2 0.326 4.287 3.960 0.002 0.000 0.265 209 G HA3 0.326 4.287 3.960 0.002 0.000 0.265 209 G C 0.745 175.623 174.900 -0.037 0.000 1.026 209 G CA 0.269 45.348 45.100 -0.035 0.000 0.868 209 G HN 0.267 nan 8.290 nan 0.000 0.476 210 V N 0.965 120.855 119.914 -0.041 0.000 2.407 210 V HA -0.055 4.066 4.120 0.002 0.000 0.245 210 V C 2.535 178.599 176.094 -0.050 0.000 1.041 210 V CA 1.574 63.849 62.300 -0.042 0.000 1.040 210 V CB -0.184 31.612 31.823 -0.045 0.000 0.671 210 V HN 0.371 nan 8.190 nan 0.000 0.455 211 L N 0.869 122.058 121.223 -0.057 0.000 1.989 211 L HA -0.176 4.166 4.340 0.002 0.000 0.211 211 L C 2.324 179.154 176.870 -0.065 0.000 1.071 211 L CA 2.091 56.890 54.840 -0.067 0.000 0.749 211 L CB -0.937 41.079 42.059 -0.072 0.000 0.890 211 L HN 0.314 nan 8.230 nan 0.000 0.431 212 E N -0.549 119.616 120.200 -0.059 0.000 2.097 212 E HA -0.269 4.082 4.350 0.002 0.000 0.196 212 E C 2.260 178.833 176.600 -0.045 0.000 1.000 212 E CA 1.663 58.028 56.400 -0.057 0.000 0.804 212 E CB -0.616 29.052 29.700 -0.052 0.000 0.740 212 E HN 0.562 nan 8.360 nan 0.000 0.454 213 Q N 0.043 119.820 119.800 -0.038 0.000 2.119 213 Q HA -0.170 4.171 4.340 0.002 0.000 0.201 213 Q C 2.152 178.136 176.000 -0.027 0.000 0.972 213 Q CA 1.742 57.529 55.803 -0.027 0.000 0.847 213 Q CB -0.190 28.534 28.738 -0.022 0.000 0.903 213 Q HN 0.549 nan 8.270 nan 0.000 0.433 214 Q N -0.525 119.252 119.800 -0.040 0.000 2.119 214 Q HA -0.041 4.300 4.340 0.002 0.000 0.201 214 Q C 2.193 178.168 176.000 -0.042 0.000 0.972 214 Q CA 1.651 57.429 55.803 -0.043 0.000 0.847 214 Q CB -0.219 28.480 28.738 -0.065 0.000 0.903 214 Q HN 0.541 nan 8.270 nan 0.000 0.433 215 I N 0.256 120.795 120.570 -0.051 0.000 2.226 215 I HA -0.266 3.905 4.170 0.002 0.000 0.245 215 I C 1.769 177.869 176.117 -0.028 0.000 1.100 215 I CA 0.759 62.027 61.300 -0.053 0.000 1.374 215 I CB -0.107 37.851 38.000 -0.069 0.000 1.057 215 I HN 0.229 nan 8.210 nan 0.000 0.413 216 L N -0.102 121.110 121.223 -0.018 0.000 2.179 216 L HA -0.113 4.228 4.340 0.002 0.000 0.208 216 L C 2.368 179.248 176.870 0.016 0.000 1.096 216 L CA 1.596 56.437 54.840 0.001 0.000 0.779 216 L CB -1.152 40.908 42.059 0.001 0.000 0.922 216 L HN 0.266 nan 8.230 nan 0.000 0.443 217 Q N -0.897 118.910 119.800 0.012 0.000 2.435 217 Q HA 0.121 4.462 4.340 0.002 0.000 0.207 217 Q C 2.230 178.255 176.000 0.042 0.000 0.956 217 Q CA 0.866 56.685 55.803 0.028 0.000 0.917 217 Q CB -0.108 28.644 28.738 0.023 0.000 0.997 217 Q HN 0.440 nan 8.270 nan 0.000 0.497 218 A N 1.408 124.244 122.820 0.027 0.000 1.978 218 A HA -0.209 4.113 4.320 0.002 0.000 0.220 218 A C 1.858 179.482 177.584 0.068 0.000 1.170 218 A CA 1.365 53.421 52.037 0.031 0.000 0.636 218 A CB -0.305 18.693 19.000 -0.003 0.000 0.810 218 A HN 0.308 nan 8.150 nan 0.000 0.448 219 N N -0.051 118.696 118.700 0.078 0.000 2.084 219 N HA -0.091 4.651 4.740 0.002 0.000 0.190 219 N C -0.850 174.751 175.510 0.151 0.000 1.030 219 N CA 1.679 54.801 53.050 0.120 0.000 0.849 219 N CB -1.419 37.127 38.487 0.099 0.000 1.012 219 N HN 0.321 nan 8.380 nan 0.000 0.423 220 P HA -0.033 nan 4.420 nan 0.000 0.218 220 P C 1.654 179.066 177.300 0.186 0.000 1.149 220 P CA 0.876 64.060 63.100 0.140 0.000 0.817 220 P CB 0.021 31.780 31.700 0.097 0.000 0.785 221 I N -1.103 119.570 120.570 0.172 0.000 2.163 221 I HA -0.201 3.970 4.170 0.002 0.000 0.240 221 I C 2.446 178.751 176.117 0.313 0.000 1.081 221 I CA 1.234 62.669 61.300 0.225 0.000 1.353 221 I CB -0.768 37.290 38.000 0.096 0.000 1.054 221 I HN -0.157 nan 8.210 nan 0.000 0.407 222 L N 0.404 121.754 121.223 0.213 0.000 2.042 222 L HA -0.232 4.109 4.340 0.002 0.000 0.210 222 L C 2.498 179.660 176.870 0.485 0.000 1.076 222 L CA 1.582 56.587 54.840 0.275 0.000 0.749 222 L CB -0.679 41.569 42.059 0.315 0.000 0.893 222 L HN 0.294 nan 8.230 nan 0.000 0.432 223 E N 0.052 120.510 120.200 0.429 0.000 2.150 223 E HA -0.168 4.184 4.350 0.002 0.000 0.193 223 E C 2.322 179.196 176.600 0.458 0.000 0.985 223 E CA 0.972 57.648 56.400 0.460 0.000 0.814 223 E CB -0.126 29.783 29.700 0.348 0.000 0.752 223 E HN 0.507 nan 8.360 nan 0.000 0.466 224 A N 0.622 123.655 122.820 0.354 0.000 1.930 224 A HA -0.135 4.186 4.320 0.002 0.000 0.217 224 A C 1.726 179.359 177.584 0.082 0.000 1.175 224 A CA 1.125 53.289 52.037 0.212 0.000 0.627 224 A CB -0.489 18.516 19.000 0.008 0.000 0.815 224 A HN 0.164 nan 8.150 nan 0.000 0.443 225 F N -0.889 119.211 119.950 0.250 0.000 2.473 225 F HA 0.222 4.750 4.527 0.002 0.000 0.294 225 F C 2.294 178.107 175.800 0.022 0.000 1.103 225 F CA 0.849 58.952 58.000 0.172 0.000 1.442 225 F CB 0.002 39.063 39.000 0.101 0.000 1.097 225 F HN 0.284 nan 8.300 nan 0.000 0.547 226 G N -1.339 107.669 108.800 0.347 0.000 3.192 226 G HA2 0.112 4.073 3.960 0.002 0.000 0.239 226 G HA3 0.112 4.073 3.960 0.002 0.000 0.239 226 G C -0.008 175.287 174.900 0.657 0.000 1.084 226 G CA -0.097 45.117 45.100 0.191 0.000 0.784 226 G HN 0.070 nan 8.290 nan 0.000 0.540 227 N N 0.189 119.216 118.700 0.546 0.000 2.362 227 N HA 0.808 5.550 4.740 0.002 0.000 0.299 227 N C -0.485 174.920 175.510 -0.175 0.000 1.170 227 N CA -0.102 53.121 53.050 0.288 0.000 0.825 227 N CB 2.159 40.842 38.487 0.326 0.000 1.299 227 N HN 0.217 nan 8.380 nan 0.000 0.502 228 A N -0.113 122.539 122.820 -0.281 0.000 2.610 228 A HA 0.465 4.786 4.320 0.002 0.000 0.291 228 A C -1.174 176.315 177.584 -0.158 0.000 1.086 228 A CA -0.798 50.959 52.037 -0.467 0.000 0.677 228 A CB 1.080 19.781 19.000 -0.497 0.000 1.278 228 A HN 0.539 nan 8.150 nan 0.000 0.414 229 K N 1.386 121.741 120.400 -0.076 0.000 2.378 229 K HA 0.381 4.702 4.320 0.002 0.000 0.288 229 K C 0.244 176.794 176.600 -0.084 0.000 1.057 229 K CA 0.714 56.989 56.287 -0.020 0.000 0.971 229 K CB 0.144 32.624 32.500 -0.034 0.000 0.975 229 K HN 0.888 nan 8.250 nan 0.000 0.475 230 T N -0.146 114.389 114.554 -0.032 0.000 2.922 230 T HA 0.129 4.481 4.350 0.002 0.000 0.281 230 T C 1.426 176.116 174.700 -0.018 0.000 1.005 230 T CA -0.242 61.819 62.100 -0.064 0.000 0.982 230 T CB 1.188 70.091 68.868 0.058 0.000 1.158 230 T HN 0.591 nan 8.240 nan 0.000 0.566 231 T N -1.674 112.867 114.554 -0.023 0.000 3.051 231 T HA 0.011 4.362 4.350 0.002 0.000 0.269 231 T C 1.580 176.348 174.700 0.113 0.000 1.127 231 T CA 0.535 62.660 62.100 0.042 0.000 1.107 231 T CB -0.307 68.595 68.868 0.057 0.000 0.898 231 T HN 0.644 nan 8.240 nan 0.000 0.517 232 R N 0.349 120.961 120.500 0.187 0.000 2.307 232 R HA 0.329 4.670 4.340 0.002 0.000 0.200 232 R C 0.015 176.392 176.300 0.128 0.000 0.893 232 R CA 0.010 56.200 56.100 0.149 0.000 1.042 232 R CB 0.361 30.754 30.300 0.154 0.000 1.059 232 R HN 0.263 nan 8.270 nan 0.000 0.530 233 N N -0.212 118.563 118.700 0.124 0.000 2.537 233 N HA 0.094 4.836 4.740 0.002 0.000 0.281 233 N C -0.860 174.716 175.510 0.110 0.000 1.097 233 N CA -0.301 52.831 53.050 0.136 0.000 0.964 233 N CB 1.033 39.609 38.487 0.149 0.000 1.588 233 N HN -0.116 nan 8.380 nan 0.000 0.511 234 N N 1.552 120.315 118.700 0.105 0.000 2.348 234 N HA -0.144 4.597 4.740 0.002 0.000 0.185 234 N C -0.128 175.487 175.510 0.175 0.000 1.019 234 N CA 0.706 53.815 53.050 0.097 0.000 0.880 234 N CB 0.044 38.572 38.487 0.067 0.000 0.965 234 N HN 0.400 nan 8.380 nan 0.000 0.437 235 N N 0.330 119.142 118.700 0.186 0.000 2.644 235 N HA 0.239 4.980 4.740 0.002 0.000 0.313 235 N C -1.320 174.310 175.510 0.201 0.000 1.863 235 N CA -0.313 52.897 53.050 0.267 0.000 0.918 235 N CB 0.328 38.945 38.487 0.216 0.000 1.320 235 N HN 0.054 nan 8.380 nan 0.000 0.490 236 A N 0.193 123.101 122.820 0.146 0.000 2.488 236 A HA 0.325 4.646 4.320 0.002 0.000 0.249 236 A C 0.380 178.034 177.584 0.117 0.000 1.083 236 A CA 0.019 52.125 52.037 0.114 0.000 0.768 236 A CB 0.091 19.152 19.000 0.101 0.000 1.017 236 A HN 0.401 nan 8.150 nan 0.000 0.496 237 S N 2.101 117.850 115.700 0.081 0.000 2.481 237 S HA 0.263 4.734 4.470 0.002 0.000 0.276 237 S C 0.767 175.412 174.600 0.075 0.000 1.247 237 S CA -0.457 57.762 58.200 0.030 0.000 1.053 237 S CB 0.413 63.530 63.200 -0.137 0.000 0.925 237 S HN 0.596 nan 8.310 nan 0.000 0.491 238 R N 1.973 122.613 120.500 0.233 0.000 2.546 238 R HA 0.256 4.597 4.340 0.002 0.000 0.320 238 R C -0.546 175.954 176.300 0.333 0.000 1.021 238 R CA -0.067 56.194 56.100 0.269 0.000 1.088 238 R CB -0.608 29.913 30.300 0.367 0.000 1.278 238 R HN 0.644 nan 8.270 nan 0.000 0.557 239 F N -2.908 117.105 119.950 0.106 0.000 2.613 239 F HA 0.807 5.335 4.527 0.002 0.000 0.310 239 F C 0.045 175.960 175.800 0.193 0.000 1.085 239 F CA -1.966 56.103 58.000 0.115 0.000 0.945 239 F CB 0.748 39.766 39.000 0.030 0.000 1.298 239 F HN -0.103 nan 8.300 nan 0.000 0.455 240 G N 1.434 110.329 108.800 0.159 0.000 2.451 240 G HA2 0.612 4.573 3.960 0.002 0.000 0.303 240 G HA3 0.612 4.573 3.960 0.002 0.000 0.303 240 G C -1.590 173.499 174.900 0.315 0.000 1.166 240 G CA -0.975 44.227 45.100 0.171 0.000 0.884 240 G HN 1.047 nan 8.290 nan 0.000 0.514 241 K N -0.569 119.967 120.400 0.227 0.000 2.532 241 K HA 0.635 4.956 4.320 0.002 0.000 0.265 241 K C -2.186 174.588 176.600 0.289 0.000 0.948 241 K CA -1.008 55.383 56.287 0.173 0.000 0.842 241 K CB 2.310 34.933 32.500 0.205 0.000 1.392 241 K HN 0.324 nan 8.250 nan 0.000 0.436 242 F N 3.404 123.361 119.950 0.012 0.000 2.460 242 F HA 0.459 4.988 4.527 0.003 0.000 0.341 242 F C -1.160 174.638 175.800 -0.003 0.000 1.130 242 F CA -1.366 56.672 58.000 0.064 0.000 0.962 242 F CB 1.044 40.118 39.000 0.124 0.000 1.171 242 F HN 0.414 nan 8.300 nan 0.000 0.436 243 I N 5.511 125.848 120.570 -0.390 0.000 2.312 243 I HA 0.235 4.407 4.170 0.002 0.000 0.290 243 I C -0.145 175.688 176.117 -0.473 0.000 1.008 243 I CA -0.388 60.729 61.300 -0.306 0.000 1.226 243 I CB 1.267 39.172 38.000 -0.159 0.000 1.371 243 I HN 0.578 nan 8.210 nan 0.000 0.468 244 E N 6.254 126.243 120.200 -0.351 0.000 2.081 244 E HA 0.325 4.676 4.350 0.002 0.000 0.281 244 E C -0.506 176.021 176.600 -0.121 0.000 0.986 244 E CA -0.648 55.597 56.400 -0.259 0.000 0.796 244 E CB 1.601 31.115 29.700 -0.310 0.000 1.085 244 E HN 0.332 nan 8.360 nan 0.000 0.398 245 I N 3.733 124.283 120.570 -0.034 0.000 2.337 245 I HA 0.073 4.245 4.170 0.002 0.000 0.291 245 I C 0.371 176.366 176.117 -0.204 0.000 1.046 245 I CA -0.038 61.177 61.300 -0.143 0.000 1.324 245 I CB 0.637 38.577 38.000 -0.100 0.000 1.409 245 I HN 0.409 nan 8.210 nan 0.000 0.494 246 Q N 5.577 125.175 119.800 -0.336 0.000 2.245 246 Q HA 0.644 4.985 4.340 0.002 0.000 0.256 246 Q C -1.406 174.337 176.000 -0.428 0.000 0.942 246 Q CA -0.374 55.330 55.803 -0.165 0.000 0.896 246 Q CB 2.198 30.903 28.738 -0.055 0.000 1.272 246 Q HN 0.376 nan 8.270 nan 0.000 0.442 247 F N 1.126 121.193 119.950 0.196 0.000 2.576 247 F HA 0.336 4.864 4.527 0.002 0.000 0.313 247 F C 0.260 176.190 175.800 0.217 0.000 1.078 247 F CA -1.192 56.939 58.000 0.218 0.000 0.921 247 F CB 1.307 40.469 39.000 0.270 0.000 1.232 247 F HN 0.575 nan 8.300 nan 0.000 0.459 248 N N -0.598 118.332 118.700 0.383 0.000 2.364 248 N HA 0.154 4.896 4.740 0.002 0.000 0.264 248 N C 0.577 176.279 175.510 0.321 0.000 1.263 248 N CA -0.298 52.913 53.050 0.267 0.000 0.959 248 N CB 0.139 38.755 38.487 0.215 0.000 1.204 248 N HN 0.491 nan 8.380 nan 0.000 0.550 249 S N -2.179 113.657 115.700 0.226 0.000 2.507 249 S HA 0.024 4.495 4.470 0.002 0.000 0.235 249 S C 1.574 176.328 174.600 0.256 0.000 0.988 249 S CA 0.381 58.753 58.200 0.286 0.000 0.944 249 S CB -0.624 62.675 63.200 0.164 0.000 0.762 249 S HN 0.765 nan 8.310 nan 0.000 0.526 250 A N 1.070 124.032 122.820 0.237 0.000 2.123 250 A HA 0.540 4.862 4.320 0.002 0.000 0.214 250 A C 1.831 179.459 177.584 0.074 0.000 1.152 250 A CA 0.685 52.836 52.037 0.191 0.000 0.728 250 A CB -0.757 18.438 19.000 0.326 0.000 0.814 250 A HN 1.258 nan 8.150 nan 0.000 0.464 251 G N -2.397 106.502 108.800 0.165 0.000 2.163 251 G HA2 -0.185 3.776 3.960 0.002 0.000 0.213 251 G HA3 -0.185 3.776 3.960 0.002 0.000 0.213 251 G C -0.057 174.950 174.900 0.178 0.000 0.991 251 G CA -0.078 45.063 45.100 0.067 0.000 0.653 251 G HN 0.285 nan 8.290 nan 0.000 0.518 252 F N 0.343 120.487 119.950 0.324 0.000 2.371 252 F HA 0.621 5.149 4.527 0.002 0.000 0.329 252 F C 1.143 177.130 175.800 0.312 0.000 1.107 252 F CA -0.901 57.267 58.000 0.280 0.000 1.137 252 F CB 0.985 40.065 39.000 0.134 0.000 1.214 252 F HN 0.110 nan 8.300 nan 0.000 0.536 253 I N 2.010 122.790 120.570 0.350 0.000 2.598 253 I HA -0.007 4.165 4.170 0.002 0.000 0.284 253 I C 0.847 176.957 176.117 -0.012 0.000 1.140 253 I CA 0.494 61.750 61.300 -0.073 0.000 1.420 253 I CB 0.609 38.494 38.000 -0.192 0.000 1.387 253 I HN 0.775 nan 8.210 nan 0.000 0.553 254 S N 4.738 120.393 115.700 -0.075 0.000 2.520 254 S HA 0.568 5.040 4.470 0.002 0.000 0.219 254 S C 0.499 175.047 174.600 -0.085 0.000 1.028 254 S CA 0.102 58.281 58.200 -0.036 0.000 0.921 254 S CB 0.692 63.902 63.200 0.016 0.000 0.844 254 S HN 0.935 nan 8.310 nan 0.000 0.495 255 G N 0.186 108.898 108.800 -0.146 0.000 2.341 255 G HA2 0.653 4.615 3.960 0.002 0.000 0.299 255 G HA3 0.653 4.615 3.960 0.002 0.000 0.299 255 G C -1.924 172.871 174.900 -0.174 0.000 1.274 255 G CA -0.162 44.855 45.100 -0.138 0.000 0.853 255 G HN 0.910 nan 8.290 nan 0.000 0.493 256 A N -1.250 121.483 122.820 -0.147 0.000 2.609 256 A HA 0.945 5.266 4.320 0.002 0.000 0.291 256 A C -0.765 176.738 177.584 -0.136 0.000 1.096 256 A CA 0.180 52.128 52.037 -0.148 0.000 0.684 256 A CB 1.567 20.482 19.000 -0.141 0.000 1.282 256 A HN 1.971 nan 8.150 nan 0.000 0.412 257 S N 0.006 115.621 115.700 -0.142 0.000 2.575 257 S HA 0.665 5.136 4.470 0.002 0.000 0.278 257 S C -1.403 173.116 174.600 -0.135 0.000 1.139 257 S CA -0.411 57.706 58.200 -0.138 0.000 0.954 257 S CB 0.583 63.700 63.200 -0.137 0.000 1.054 257 S HN 0.589 nan 8.310 nan 0.000 0.483 258 I N 3.858 124.353 120.570 -0.126 0.000 2.312 258 I HA 0.357 4.528 4.170 0.002 0.000 0.290 258 I C -0.140 175.908 176.117 -0.115 0.000 1.008 258 I CA -0.542 60.695 61.300 -0.105 0.000 1.226 258 I CB 1.646 39.592 38.000 -0.090 0.000 1.371 258 I HN 0.532 nan 8.210 nan 0.000 0.468 259 Q N 6.027 125.765 119.800 -0.104 0.000 2.322 259 Q HA 0.334 4.675 4.340 0.002 0.000 0.256 259 Q C -0.456 175.317 176.000 -0.378 0.000 0.960 259 Q CA -0.383 55.293 55.803 -0.211 0.000 0.934 259 Q CB 1.158 29.803 28.738 -0.154 0.000 1.200 259 Q HN 0.710 nan 8.270 nan 0.000 0.435 260 S N 3.365 118.882 115.700 -0.305 0.000 2.565 260 S HA 0.670 5.141 4.470 0.002 0.000 0.290 260 S C -0.759 173.679 174.600 -0.270 0.000 1.150 260 S CA -0.579 57.546 58.200 -0.124 0.000 1.058 260 S CB 0.697 63.974 63.200 0.127 0.000 1.032 260 S HN 0.500 nan 8.310 nan 0.000 0.510 261 Y N 0.660 121.142 120.300 0.303 0.000 2.618 261 Y HA 0.502 5.053 4.550 0.002 0.000 0.326 261 Y C 0.554 176.595 175.900 0.235 0.000 1.168 261 Y CA -1.672 56.548 58.100 0.200 0.000 1.269 261 Y CB 0.358 38.894 38.460 0.127 0.000 1.388 261 Y HN 0.588 nan 8.280 nan 0.000 0.528 262 L N 2.202 123.650 121.223 0.375 0.000 2.578 262 L HA -0.078 4.263 4.340 0.002 0.000 0.279 262 L C -0.243 176.769 176.870 0.237 0.000 1.227 262 L CA 0.158 55.155 54.840 0.262 0.000 0.900 262 L CB -0.145 42.059 42.059 0.243 0.000 1.144 262 L HN 0.359 nan 8.230 nan 0.000 0.496 263 L N 4.090 125.400 121.223 0.146 0.000 2.375 263 L HA 0.170 4.511 4.340 0.002 0.000 0.271 263 L C 0.618 177.558 176.870 0.117 0.000 1.107 263 L CA 0.133 55.009 54.840 0.060 0.000 0.806 263 L CB 1.101 43.028 42.059 -0.220 0.000 1.146 263 L HN 0.549 nan 8.230 nan 0.000 0.447 264 E N 3.498 123.803 120.200 0.175 0.000 1.842 264 E HA -0.019 4.333 4.350 0.002 0.000 0.278 264 E C 0.358 177.087 176.600 0.215 0.000 1.171 264 E CA 0.069 56.578 56.400 0.182 0.000 1.127 264 E CB 0.190 30.003 29.700 0.190 0.000 1.100 264 E HN 0.651 nan 8.360 nan 0.000 0.456 265 K N 0.503 120.995 120.400 0.153 0.000 2.280 265 K HA -0.130 4.192 4.320 0.002 0.000 0.202 265 K C 2.110 178.768 176.600 0.096 0.000 1.047 265 K CA 1.240 57.610 56.287 0.138 0.000 0.942 265 K CB 0.075 32.638 32.500 0.105 0.000 0.739 265 K HN 0.381 nan 8.250 nan 0.000 0.457 266 S N 1.212 116.966 115.700 0.091 0.000 2.402 266 S HA -0.246 4.225 4.470 0.002 0.000 0.233 266 S C 1.973 176.599 174.600 0.043 0.000 1.030 266 S CA 1.239 59.478 58.200 0.064 0.000 1.003 266 S CB -0.303 62.948 63.200 0.085 0.000 0.813 266 S HN 0.313 nan 8.310 nan 0.000 0.477 267 R N 0.919 121.439 120.500 0.035 0.000 2.148 267 R HA 0.001 4.343 4.340 0.002 0.000 0.227 267 R C 1.859 178.042 176.300 -0.194 0.000 1.103 267 R CA 1.136 57.177 56.100 -0.098 0.000 0.983 267 R CB -0.529 29.606 30.300 -0.274 0.000 0.874 267 R HN 0.400 nan 8.270 nan 0.000 0.451 268 V N 0.636 120.461 119.914 -0.149 0.000 2.392 268 V HA -0.227 3.895 4.120 0.002 0.000 0.249 268 V C 2.117 177.810 176.094 -0.668 0.000 1.059 268 V CA 1.901 63.970 62.300 -0.385 0.000 1.051 268 V CB -0.097 31.507 31.823 -0.364 0.000 0.658 268 V HN 0.498 nan 8.190 nan 0.000 0.455 269 V N -4.777 114.835 119.914 -0.504 0.000 3.661 269 V HA 0.433 4.554 4.120 0.002 0.000 0.271 269 V C 0.155 176.192 176.094 -0.095 0.000 1.315 269 V CA 0.003 61.927 62.300 -0.626 0.000 1.072 269 V CB 0.242 31.858 31.823 -0.344 0.000 0.830 269 V HN 0.308 nan 8.190 nan 0.000 0.443 270 F N 1.300 121.136 119.950 -0.191 0.000 2.604 270 F HA 0.803 5.331 4.527 0.002 0.000 0.316 270 F C -1.456 174.274 175.800 -0.117 0.000 1.136 270 F CA -0.639 57.305 58.000 -0.093 0.000 0.989 270 F CB 2.042 41.012 39.000 -0.050 0.000 1.258 270 F HN 0.057 nan 8.300 nan 0.000 0.451 271 Q N 3.116 122.225 119.800 -1.152 0.000 2.359 271 Q HA 0.535 4.876 4.340 0.002 0.000 0.274 271 Q C -0.664 174.640 176.000 -1.159 0.000 1.074 271 Q CA -0.917 54.329 55.803 -0.929 0.000 0.810 271 Q CB 2.314 30.771 28.738 -0.470 0.000 1.342 271 Q HN 0.650 nan 8.270 nan 0.000 0.427 272 S N 0.810 116.058 115.700 -0.754 0.000 2.596 272 S HA 0.040 4.511 4.470 0.002 0.000 0.260 272 S C -0.068 174.354 174.600 -0.296 0.000 1.336 272 S CA -0.591 57.358 58.200 -0.418 0.000 0.993 272 S CB 0.389 63.452 63.200 -0.229 0.000 0.923 272 S HN 0.608 nan 8.310 nan 0.000 0.567 273 E N 0.553 120.650 120.200 -0.171 0.000 2.452 273 E HA -0.005 4.346 4.350 0.002 0.000 0.261 273 E C 0.891 177.411 176.600 -0.134 0.000 0.987 273 E CA 1.045 57.368 56.400 -0.128 0.000 0.926 273 E CB 0.163 29.821 29.700 -0.070 0.000 0.934 273 E HN 0.920 nan 8.360 nan 0.000 0.452 274 T N 0.004 114.485 114.554 -0.122 0.000 7.776 274 T HA -0.279 4.072 4.350 0.002 0.000 0.302 274 T C 0.168 174.785 174.700 -0.138 0.000 2.093 274 T CA 1.591 63.624 62.100 -0.113 0.000 3.360 274 T CB -1.496 67.319 68.868 -0.088 0.000 1.793 274 T HN 0.630 nan 8.240 nan 0.000 1.076 275 E N 1.116 121.207 120.200 -0.182 0.000 2.385 275 E HA 0.621 4.972 4.350 0.002 0.000 0.254 275 E C 0.519 177.009 176.600 -0.184 0.000 1.228 275 E CA -0.909 55.373 56.400 -0.197 0.000 0.956 275 E CB 0.637 30.177 29.700 -0.267 0.000 1.116 275 E HN 0.435 nan 8.360 nan 0.000 0.507 276 R N 0.666 121.059 120.500 -0.179 0.000 2.892 276 R HA 0.289 4.630 4.340 0.002 0.000 0.265 276 R C 0.168 176.410 176.300 -0.096 0.000 1.025 276 R CA -0.937 55.090 56.100 -0.123 0.000 0.982 276 R CB 0.967 31.118 30.300 -0.247 0.000 1.185 276 R HN 0.430 nan 8.270 nan 0.000 0.484 277 N N 0.370 119.130 118.700 0.100 0.000 2.255 277 N HA -0.018 4.723 4.740 0.002 0.000 0.253 277 N C -0.579 174.958 175.510 0.046 0.000 1.313 277 N CA 0.352 53.374 53.050 -0.046 0.000 0.912 277 N CB 0.187 38.591 38.487 -0.138 0.000 1.145 277 N HN 0.232 nan 8.380 nan 0.000 0.511 278 Y N 0.969 121.397 120.300 0.214 0.000 2.578 278 Y HA -0.041 4.510 4.550 0.002 0.000 0.339 278 Y C 1.966 178.037 175.900 0.285 0.000 1.231 278 Y CA 0.226 58.417 58.100 0.152 0.000 1.461 278 Y CB 0.259 38.829 38.460 0.184 0.000 1.323 278 Y HN 0.510 nan 8.280 nan 0.000 0.590 279 H N 1.698 121.005 119.070 0.395 0.000 2.387 279 H HA -0.174 4.384 4.556 0.003 0.000 0.299 279 H C 2.199 177.657 175.328 0.216 0.000 1.099 279 H CA 1.913 58.159 56.048 0.331 0.000 1.315 279 H CB -0.181 29.695 29.762 0.190 0.000 1.380 279 H HN 0.737 nan 8.280 nan 0.000 0.513 280 I N 0.623 121.241 120.570 0.080 0.000 2.248 280 I HA -0.275 3.897 4.170 0.002 0.000 0.248 280 I C 1.797 177.734 176.117 -0.300 0.000 1.107 280 I CA 1.082 62.217 61.300 -0.274 0.000 1.373 280 I CB -0.462 37.040 38.000 -0.829 0.000 1.055 280 I HN -0.058 nan 8.210 nan 0.000 0.418 281 F N -0.513 119.353 119.950 -0.140 0.000 2.134 281 F HA -0.218 4.311 4.527 0.003 0.000 0.299 281 F C 2.145 177.676 175.800 -0.448 0.000 1.097 281 F CA 1.777 59.563 58.000 -0.356 0.000 1.264 281 F CB -1.110 37.558 39.000 -0.554 0.000 1.001 281 F HN 0.096 nan 8.300 nan 0.000 0.479 282 Y N -0.232 120.134 120.300 0.110 0.000 2.314 282 Y HA -0.163 4.388 4.550 0.002 0.000 0.293 282 Y C 2.426 178.270 175.900 -0.093 0.000 1.129 282 Y CA 0.924 59.037 58.100 0.023 0.000 1.201 282 Y CB -0.949 37.548 38.460 0.062 0.000 0.999 282 Y HN 0.087 nan 8.280 nan 0.000 0.541 283 Q N -0.237 119.570 119.800 0.011 0.000 2.050 283 Q HA -0.200 4.142 4.340 0.002 0.000 0.202 283 Q C 2.235 177.784 176.000 -0.751 0.000 0.980 283 Q CA 1.643 57.361 55.803 -0.143 0.000 0.840 283 Q CB -0.422 28.352 28.738 0.060 0.000 0.898 283 Q HN 0.429 nan 8.270 nan 0.000 0.424 284 L N 0.744 121.427 121.223 -0.901 0.000 1.994 284 L HA -0.181 4.161 4.340 0.002 0.000 0.208 284 L C 1.984 178.422 176.870 -0.721 0.000 1.071 284 L CA 1.690 55.785 54.840 -1.242 0.000 0.745 284 L CB -0.440 41.205 42.059 -0.691 0.000 0.892 284 L HN 0.193 nan 8.230 nan 0.000 0.431 285 L N -0.864 120.133 121.223 -0.377 0.000 2.141 285 L HA -0.119 4.222 4.340 0.002 0.000 0.209 285 L C 2.551 179.336 176.870 -0.141 0.000 1.094 285 L CA 0.994 55.725 54.840 -0.183 0.000 0.763 285 L CB -0.952 41.075 42.059 -0.053 0.000 0.908 285 L HN 0.388 nan 8.230 nan 0.000 0.437 286 A N -0.059 122.668 122.820 -0.155 0.000 1.935 286 A HA 0.069 4.391 4.320 0.002 0.000 0.214 286 A C 2.257 179.791 177.584 -0.084 0.000 1.178 286 A CA 1.344 53.336 52.037 -0.075 0.000 0.640 286 A CB -0.571 18.418 19.000 -0.018 0.000 0.825 286 A HN 0.401 nan 8.150 nan 0.000 0.447 287 G N -1.115 107.567 108.800 -0.196 0.000 2.833 287 G HA2 0.403 4.364 3.960 0.002 0.000 0.210 287 G HA3 0.403 4.364 3.960 0.002 0.000 0.210 287 G C 0.674 175.624 174.900 0.084 0.000 1.139 287 G CA 0.578 45.692 45.100 0.022 0.000 0.771 287 G HN 0.725 nan 8.290 nan 0.000 0.535 288 A N 1.267 123.996 122.820 -0.153 0.000 2.515 288 A HA 0.514 4.835 4.320 0.002 0.000 0.263 288 A C 1.054 178.651 177.584 0.023 0.000 1.096 288 A CA 1.151 53.181 52.037 -0.011 0.000 0.769 288 A CB -1.005 17.931 19.000 -0.106 0.000 1.040 288 A HN 1.608 nan 8.150 nan 0.000 0.505 289 T N 1.376 115.966 114.554 0.060 0.000 0.542 289 T HA -0.038 4.313 4.350 0.002 0.000 0.774 289 T C 0.852 175.571 174.700 0.030 0.000 0.992 289 T CA 1.804 63.938 62.100 0.056 0.000 4.077 289 T CB -1.267 67.648 68.868 0.078 0.000 2.303 289 T HN 2.374 nan 8.240 nan 0.000 0.398 290 A N -0.300 122.535 122.820 0.025 0.000 1.773 290 A HA 0.755 5.076 4.320 0.002 0.000 0.210 290 A C 2.140 179.728 177.584 0.006 0.000 1.775 290 A CA 1.375 53.420 52.037 0.014 0.000 1.157 290 A CB -0.889 18.119 19.000 0.014 0.000 1.119 290 A HN 1.805 nan 8.150 nan 0.000 0.501 291 E N 0.616 120.822 120.200 0.010 0.000 2.478 291 E HA 0.085 4.436 4.350 0.002 0.000 0.194 291 E C 1.491 178.092 176.600 0.001 0.000 1.045 291 E CA 0.930 57.331 56.400 0.000 0.000 0.868 291 E CB -0.540 nan 29.700 nan 0.000 0.885 291 E HN 0.739 nan 8.360 nan 0.000 0.505 292 E N -0.268 119.944 120.200 0.020 0.000 2.046 292 E HA -0.109 4.242 4.350 0.002 0.000 0.190 292 E C 2.765 179.366 176.600 0.002 0.000 0.982 292 E CA 1.405 57.823 56.400 0.030 0.000 0.800 292 E CB -0.075 29.661 29.700 0.061 0.000 0.756 292 E HN 0.505 nan 8.360 nan 0.000 0.449 293 K N 1.088 121.485 120.400 -0.006 0.000 2.097 293 K HA -0.144 4.177 4.320 0.002 0.000 0.206 293 K C 2.103 178.683 176.600 -0.033 0.000 1.049 293 K CA 1.949 58.232 56.287 -0.006 0.000 0.933 293 K CB -1.143 31.358 32.500 0.002 0.000 0.717 293 K HN 0.198 nan 8.250 nan 0.000 0.442 294 K N 0.302 120.664 120.400 -0.063 0.000 2.044 294 K HA 0.448 4.770 4.320 0.002 0.000 0.204 294 K C 2.680 179.106 176.600 -0.290 0.000 1.049 294 K CA 1.395 57.599 56.287 -0.138 0.000 0.945 294 K CB -1.132 nan 32.500 nan 0.000 0.724 294 K HN 0.711 nan 8.250 nan 0.000 0.440 295 A N 0.769 123.484 122.820 -0.174 0.000 1.978 295 A HA 0.034 4.355 4.320 0.002 0.000 0.220 295 A C 2.189 179.653 177.584 -0.200 0.000 1.170 295 A CA 1.580 53.514 52.037 -0.172 0.000 0.636 295 A CB -0.298 18.674 19.000 -0.046 0.000 0.810 295 A HN 0.425 nan 8.150 nan 0.000 0.448 296 L N -2.355 118.804 121.223 -0.107 0.000 2.607 296 L HA 0.163 4.504 4.340 0.002 0.000 0.228 296 L C 0.112 177.117 176.870 0.226 0.000 1.123 296 L CA -0.082 54.794 54.840 0.060 0.000 0.890 296 L CB -0.422 41.688 42.059 0.085 0.000 1.103 296 L HN 0.604 nan 8.230 nan 0.000 0.468 297 H N -0.960 118.201 119.070 0.152 0.000 2.713 297 H HA -0.153 4.405 4.556 0.003 0.000 0.311 297 H C -0.092 175.432 175.328 0.326 0.000 1.175 297 H CA 0.149 56.309 56.048 0.185 0.000 1.143 297 H CB -2.032 27.775 29.762 0.074 0.000 1.434 297 H HN 0.240 nan 8.280 nan 0.000 0.418 298 L N -0.442 120.948 121.223 0.278 0.000 2.418 298 L HA 0.637 4.978 4.340 0.002 0.000 0.265 298 L C 1.087 178.095 176.870 0.230 0.000 1.143 298 L CA 0.166 55.185 54.840 0.297 0.000 0.809 298 L CB 1.241 43.379 42.059 0.131 0.000 1.124 298 L HN 0.415 nan 8.230 nan 0.000 0.456 299 A N 1.320 124.286 122.820 0.243 0.000 3.434 299 A HA 0.843 5.164 4.320 0.002 0.000 0.247 299 A C -0.069 177.586 177.584 0.119 0.000 1.075 299 A CA 0.043 52.120 52.037 0.066 0.000 0.737 299 A CB 0.194 19.135 19.000 -0.099 0.000 1.412 299 A HN 0.674 nan 8.150 nan 0.000 0.691 300 G N -1.194 107.617 108.800 0.020 0.000 2.547 300 G HA2 0.493 4.455 3.960 0.002 0.000 0.291 300 G HA3 0.493 4.455 3.960 0.002 0.000 0.291 300 G C -1.768 173.207 174.900 0.125 0.000 1.211 300 G CA -0.872 44.269 45.100 0.068 0.000 0.950 300 G HN 0.337 nan 8.290 nan 0.000 0.504 301 P HA -0.042 nan 4.420 nan 0.000 0.220 301 P C 0.996 178.379 177.300 0.139 0.000 1.148 301 P CA 0.947 64.182 63.100 0.225 0.000 0.803 301 P CB 0.325 32.157 31.700 0.220 0.000 0.782 302 E N 0.323 120.552 120.200 0.048 0.000 2.333 302 E HA -0.111 4.240 4.350 0.002 0.000 0.198 302 E C 1.911 178.461 176.600 -0.085 0.000 1.007 302 E CA 1.393 57.791 56.400 -0.004 0.000 0.845 302 E CB -0.886 28.803 29.700 -0.017 0.000 0.766 302 E HN 0.379 nan 8.360 nan 0.000 0.507 303 S N -0.524 115.052 115.700 -0.207 0.000 2.593 303 S HA 0.108 4.579 4.470 0.002 0.000 0.217 303 S C 0.035 174.280 174.600 -0.592 0.000 0.966 303 S CA -0.356 57.587 58.200 -0.429 0.000 0.914 303 S CB -0.068 62.776 63.200 -0.593 0.000 0.776 303 S HN -0.000 nan 8.310 nan 0.000 0.523 304 F N 1.911 121.815 119.950 -0.077 0.000 2.493 304 F HA 0.520 5.048 4.527 0.002 0.000 0.329 304 F C 1.063 176.792 175.800 -0.119 0.000 1.126 304 F CA -1.515 56.412 58.000 -0.122 0.000 0.937 304 F CB 1.135 40.047 39.000 -0.148 0.000 1.146 304 F HN -0.068 nan 8.300 nan 0.000 0.442 305 N N 1.265 119.975 118.700 0.017 0.000 2.205 305 N HA -0.229 4.512 4.740 0.002 0.000 0.186 305 N C 0.850 176.401 175.510 0.068 0.000 1.015 305 N CA 1.013 54.051 53.050 -0.021 0.000 0.862 305 N CB -0.087 38.330 38.487 -0.117 0.000 0.986 305 N HN 0.491 nan 8.380 nan 0.000 0.429 306 Y N 0.307 120.583 120.300 -0.041 0.000 2.583 306 Y HA 0.122 4.674 4.550 0.002 0.000 0.293 306 Y C 1.295 177.062 175.900 -0.221 0.000 1.157 306 Y CA 0.406 58.403 58.100 -0.171 0.000 1.315 306 Y CB 0.029 38.299 38.460 -0.318 0.000 1.021 306 Y HN 0.093 nan 8.280 nan 0.000 0.536 307 L N -0.587 120.652 121.223 0.026 0.000 3.086 307 L HA 0.157 4.499 4.340 0.002 0.000 0.274 307 L C 0.770 177.687 176.870 0.079 0.000 1.184 307 L CA 0.160 55.012 54.840 0.020 0.000 1.002 307 L CB 0.152 42.198 42.059 -0.023 0.000 1.383 307 L HN 0.050 nan 8.230 nan 0.000 0.582 308 N N -1.186 117.545 118.700 0.052 0.000 2.234 308 N HA 0.028 4.769 4.740 0.002 0.000 0.227 308 N C 0.984 176.497 175.510 0.006 0.000 1.151 308 N CA -0.098 52.971 53.050 0.032 0.000 0.865 308 N CB 0.355 38.853 38.487 0.018 0.000 1.066 308 N HN 0.249 nan 8.380 nan 0.000 0.515 309 Q N -0.301 119.491 119.800 -0.013 0.000 2.324 309 Q HA 0.106 4.448 4.340 0.002 0.000 0.207 309 Q C 1.423 177.378 176.000 -0.074 0.000 0.928 309 Q CA 1.158 56.939 55.803 -0.037 0.000 0.890 309 Q CB 0.289 28.986 28.738 -0.067 0.000 1.001 309 Q HN 0.500 nan 8.270 nan 0.000 0.517 310 S N -0.979 114.661 115.700 -0.102 0.000 2.527 310 S HA 0.180 4.651 4.470 0.002 0.000 0.222 310 S C 1.560 176.107 174.600 -0.088 0.000 0.985 310 S CA 0.437 58.557 58.200 -0.135 0.000 0.921 310 S CB 0.414 63.514 63.200 -0.167 0.000 0.772 310 S HN 0.497 nan 8.310 nan 0.000 0.529 311 G N 0.202 108.968 108.800 -0.057 0.000 2.159 311 G HA2 -0.272 3.689 3.960 0.002 0.000 0.256 311 G HA3 -0.272 3.689 3.960 0.002 0.000 0.256 311 G C 0.090 174.961 174.900 -0.048 0.000 0.977 311 G CA 0.001 45.075 45.100 -0.043 0.000 0.652 311 G HN 1.051 nan 8.290 nan 0.000 0.531 312 C N 1.034 120.297 119.300 -0.062 0.000 2.346 312 C HA 0.711 5.173 4.460 0.002 0.000 0.326 312 C C 1.541 176.471 174.990 -0.100 0.000 1.224 312 C CA 0.127 59.093 59.018 -0.087 0.000 1.408 312 C CB 0.782 28.452 27.740 -0.116 0.000 2.089 312 C HN 1.215 nan 8.230 nan 0.000 0.456 313 V N 1.592 121.451 119.914 -0.092 0.000 3.477 313 V HA 0.409 4.531 4.120 0.002 0.000 0.297 313 V C -0.122 175.830 176.094 -0.237 0.000 1.433 313 V CA 0.515 62.749 62.300 -0.109 0.000 1.052 313 V CB -0.266 31.612 31.823 0.091 0.000 0.895 313 V HN 0.859 nan 8.190 nan 0.000 0.438 314 D N -0.453 119.834 120.400 -0.188 0.000 2.570 314 D HA 0.619 5.261 4.640 0.002 0.000 0.244 314 D C -0.953 175.261 176.300 -0.143 0.000 1.178 314 D CA -0.648 53.251 54.000 -0.169 0.000 0.881 314 D CB 1.803 42.553 40.800 -0.083 0.000 1.453 314 D HN 0.121 nan 8.370 nan 0.000 0.447 315 I N 0.311 120.810 120.570 -0.118 0.000 2.406 315 I HA 0.259 4.431 4.170 0.002 0.000 0.290 315 I C -0.190 175.892 176.117 -0.058 0.000 0.999 315 I CA -1.333 59.915 61.300 -0.086 0.000 1.124 315 I CB 1.724 39.677 38.000 -0.079 0.000 1.289 315 I HN 0.288 nan 8.210 nan 0.000 0.441 316 K N 5.089 125.461 120.400 -0.048 0.000 2.491 316 K HA 0.133 4.454 4.320 0.002 0.000 0.279 316 K C 0.890 177.475 176.600 -0.026 0.000 1.026 316 K CA 1.219 57.485 56.287 -0.035 0.000 1.070 316 K CB -0.100 32.380 32.500 -0.034 0.000 0.887 316 K HN 0.854 nan 8.250 nan 0.000 0.481 317 G N 1.855 110.643 108.800 -0.020 0.000 2.176 317 G HA2 -0.204 3.757 3.960 0.002 0.000 0.253 317 G HA3 -0.204 3.757 3.960 0.002 0.000 0.253 317 G C -0.407 174.483 174.900 -0.016 0.000 0.979 317 G CA 0.094 45.187 45.100 -0.012 0.000 0.641 317 G HN 0.603 nan 8.290 nan 0.000 0.530 318 V N 0.813 120.710 119.914 -0.028 0.000 2.495 318 V HA 0.735 4.857 4.120 0.002 0.000 0.298 318 V C 0.315 176.392 176.094 -0.028 0.000 1.031 318 V CA -0.002 62.275 62.300 -0.038 0.000 0.871 318 V CB 1.868 33.648 31.823 -0.071 0.000 0.988 318 V HN 0.506 nan 8.190 nan 0.000 0.432 319 S N 2.840 118.531 115.700 -0.015 0.000 2.423 319 S HA 0.208 4.679 4.470 0.002 0.000 0.317 319 S C 0.808 175.414 174.600 0.011 0.000 1.065 319 S CA -0.662 57.538 58.200 0.001 0.000 1.111 319 S CB 0.400 63.606 63.200 0.010 0.000 0.968 319 S HN 0.758 nan 8.310 nan 0.000 0.474 320 D N 3.037 123.447 120.400 0.016 0.000 2.178 320 D HA -0.118 4.524 4.640 0.002 0.000 0.201 320 D C 2.133 178.474 176.300 0.068 0.000 0.980 320 D CA 1.580 55.606 54.000 0.043 0.000 0.842 320 D CB -0.104 40.737 40.800 0.070 0.000 0.948 320 D HN 0.730 nan 8.370 nan 0.000 0.472 321 S N 0.940 116.673 115.700 0.055 0.000 2.368 321 S HA -0.150 4.321 4.470 0.002 0.000 0.225 321 S C 1.765 176.430 174.600 0.109 0.000 1.030 321 S CA 0.778 59.029 58.200 0.084 0.000 0.999 321 S CB -0.164 63.068 63.200 0.054 0.000 0.844 321 S HN 0.094 nan 8.310 nan 0.000 0.459 322 E N 1.367 121.606 120.200 0.066 0.000 2.110 322 E HA -0.081 4.270 4.350 0.002 0.000 0.193 322 E C 2.184 178.819 176.600 0.059 0.000 0.988 322 E CA 0.991 57.423 56.400 0.053 0.000 0.804 322 E CB -0.341 29.377 29.700 0.030 0.000 0.745 322 E HN 0.618 nan 8.360 nan 0.000 0.458 323 E N 0.175 120.415 120.200 0.066 0.000 2.150 323 E HA -0.135 4.217 4.350 0.002 0.000 0.193 323 E C 1.864 178.534 176.600 0.116 0.000 0.985 323 E CA 0.316 56.756 56.400 0.066 0.000 0.814 323 E CB -0.392 29.332 29.700 0.039 0.000 0.752 323 E HN 0.210 nan 8.360 nan 0.000 0.466 324 F N 2.174 122.106 119.950 -0.031 0.000 2.134 324 F HA -0.227 4.302 4.527 0.003 0.000 0.299 324 F C 2.519 178.300 175.800 -0.033 0.000 1.097 324 F CA 2.228 60.193 58.000 -0.059 0.000 1.264 324 F CB -0.535 38.402 39.000 -0.106 0.000 1.001 324 F HN -0.001 nan 8.300 nan 0.000 0.479 325 K N 0.667 121.039 120.400 -0.047 0.000 2.097 325 K HA -0.102 4.220 4.320 0.002 0.000 0.206 325 K C 2.117 178.660 176.600 -0.094 0.000 1.049 325 K CA 2.004 58.221 56.287 -0.117 0.000 0.933 325 K CB -1.513 30.970 32.500 -0.028 0.000 0.717 325 K HN 0.518 nan 8.250 nan 0.000 0.442 326 I N 0.993 121.543 120.570 -0.033 0.000 2.252 326 I HA -0.215 3.956 4.170 0.002 0.000 0.245 326 I C 2.643 178.754 176.117 -0.009 0.000 1.102 326 I CA 1.666 62.960 61.300 -0.010 0.000 1.385 326 I CB -0.272 37.738 38.000 0.018 0.000 1.064 326 I HN 0.326 nan 8.210 nan 0.000 0.414 327 T N 0.484 115.031 114.554 -0.010 0.000 2.720 327 T HA -0.165 4.186 4.350 0.002 0.000 0.268 327 T C 2.032 176.721 174.700 -0.018 0.000 1.037 327 T CA 1.216 63.330 62.100 0.023 0.000 1.144 327 T CB -0.228 68.686 68.868 0.076 0.000 0.864 327 T HN 0.288 nan 8.240 nan 0.000 0.444 328 R N 0.736 121.146 120.500 -0.151 0.000 2.092 328 R HA -0.089 4.252 4.340 0.002 0.000 0.231 328 R C 2.674 178.949 176.300 -0.042 0.000 1.119 328 R CA 1.357 57.385 56.100 -0.120 0.000 0.970 328 R CB -0.298 29.832 30.300 -0.283 0.000 0.864 328 R HN 0.524 nan 8.270 nan 0.000 0.440 329 Q N 0.536 120.307 119.800 -0.048 0.000 2.119 329 Q HA -0.108 4.233 4.340 0.002 0.000 0.201 329 Q C 1.925 177.934 176.000 0.015 0.000 0.972 329 Q CA 1.603 57.399 55.803 -0.013 0.000 0.847 329 Q CB -0.032 28.696 28.738 -0.016 0.000 0.903 329 Q HN 0.319 nan 8.270 nan 0.000 0.433 330 A N 0.576 123.411 122.820 0.024 0.000 1.898 330 A HA -0.140 4.182 4.320 0.002 0.000 0.216 330 A C 2.075 179.709 177.584 0.083 0.000 1.181 330 A CA 1.423 53.489 52.037 0.049 0.000 0.620 330 A CB -0.511 18.524 19.000 0.059 0.000 0.819 330 A HN 0.502 nan 8.150 nan 0.000 0.442 331 M N -0.358 119.290 119.600 0.080 0.000 2.108 331 M HA -0.179 4.302 4.480 0.002 0.000 0.261 331 M C 1.499 177.918 176.300 0.198 0.000 1.066 331 M CA 1.654 57.045 55.300 0.153 0.000 1.107 331 M CB -0.522 32.078 32.600 0.000 0.000 1.356 331 M HN 0.337 nan 8.290 nan 0.000 0.406 332 D N 0.597 121.057 120.400 0.099 0.000 2.097 332 D HA -0.118 4.523 4.640 0.002 0.000 0.195 332 D C 1.897 178.227 176.300 0.051 0.000 0.989 332 D CA 1.414 55.456 54.000 0.071 0.000 0.827 332 D CB -0.291 40.531 40.800 0.037 0.000 0.966 332 D HN 0.383 nan 8.370 nan 0.000 0.456 333 I N 0.404 120.998 120.570 0.041 0.000 2.315 333 I HA -0.193 3.978 4.170 0.002 0.000 0.248 333 I C 2.380 178.497 176.117 0.000 0.000 1.117 333 I CA 0.486 61.795 61.300 0.015 0.000 1.404 333 I CB 0.030 38.037 38.000 0.011 0.000 1.071 333 I HN -0.132 nan 8.210 nan 0.000 0.419 334 V N 0.403 120.335 119.914 0.031 0.000 2.667 334 V HA -0.051 4.071 4.120 0.002 0.000 0.252 334 V C 1.676 177.697 176.094 -0.121 0.000 1.065 334 V CA 1.742 64.029 62.300 -0.023 0.000 1.083 334 V CB -0.412 31.443 31.823 0.054 0.000 0.692 334 V HN 0.752 nan 8.190 nan 0.000 0.468 335 G N -1.291 107.470 108.800 -0.064 0.000 2.183 335 G HA2 -0.183 3.778 3.960 0.002 0.000 0.168 335 G HA3 -0.183 3.778 3.960 0.002 0.000 0.168 335 G C -0.052 174.731 174.900 -0.195 0.000 1.008 335 G CA -0.493 44.521 45.100 -0.144 0.000 0.677 335 G HN 0.317 nan 8.290 nan 0.000 0.498 336 F N 3.189 123.086 119.950 -0.088 0.000 2.578 336 F HA 0.405 4.933 4.527 0.002 0.000 0.381 336 F C 1.652 177.435 175.800 -0.028 0.000 1.069 336 F CA 0.625 58.585 58.000 -0.068 0.000 1.231 336 F CB 0.684 39.640 39.000 -0.074 0.000 1.086 336 F HN 0.277 nan 8.300 nan 0.000 0.564 337 S N 2.920 118.709 115.700 0.147 0.000 2.589 337 S HA 0.033 4.505 4.470 0.002 0.000 0.265 337 S C 1.022 175.686 174.600 0.106 0.000 1.342 337 S CA -0.901 57.357 58.200 0.097 0.000 1.005 337 S CB 1.015 64.257 63.200 0.069 0.000 0.909 337 S HN 0.650 nan 8.310 nan 0.000 0.555 338 Q N 0.585 120.430 119.800 0.074 0.000 2.170 338 Q HA -0.099 4.242 4.340 0.002 0.000 0.203 338 Q C 1.827 177.867 176.000 0.066 0.000 0.976 338 Q CA 1.360 57.206 55.803 0.071 0.000 0.858 338 Q CB -0.383 28.390 28.738 0.060 0.000 0.907 338 Q HN 0.746 nan 8.270 nan 0.000 0.433 339 E N 0.909 121.146 120.200 0.062 0.000 2.107 339 E HA -0.118 4.234 4.350 0.002 0.000 0.191 339 E C 1.849 178.479 176.600 0.050 0.000 0.982 339 E CA 0.621 57.052 56.400 0.052 0.000 0.809 339 E CB 0.107 29.834 29.700 0.046 0.000 0.756 339 E HN 0.477 nan 8.360 nan 0.000 0.459 340 E N 0.549 120.805 120.200 0.094 0.000 2.077 340 E HA -0.190 4.161 4.350 0.002 0.000 0.193 340 E C 2.188 178.803 176.600 0.025 0.000 0.989 340 E CA 0.963 57.453 56.400 0.151 0.000 0.800 340 E CB -0.010 29.907 29.700 0.361 0.000 0.746 340 E HN 0.295 nan 8.360 nan 0.000 0.452 341 Q N -0.116 119.667 119.800 -0.029 0.000 2.079 341 Q HA -0.180 4.161 4.340 0.002 0.000 0.200 341 Q C 2.167 177.951 176.000 -0.360 0.000 0.974 341 Q CA 1.287 56.923 55.803 -0.278 0.000 0.840 341 Q CB -0.151 28.533 28.738 -0.090 0.000 0.898 341 Q HN 0.202 nan 8.270 nan 0.000 0.430 342 M N 0.423 119.989 119.600 -0.057 0.000 2.159 342 M HA -0.129 4.352 4.480 0.002 0.000 0.263 342 M C 1.928 178.220 176.300 -0.013 0.000 1.063 342 M CA 1.653 56.980 55.300 0.046 0.000 1.110 342 M CB -0.160 32.493 32.600 0.088 0.000 1.374 342 M HN -0.049 nan 8.290 nan 0.000 0.411 343 S N 0.321 115.988 115.700 -0.055 0.000 2.368 343 S HA -0.044 4.428 4.470 0.002 0.000 0.224 343 S C 1.883 176.424 174.600 -0.098 0.000 1.029 343 S CA 1.521 59.688 58.200 -0.054 0.000 0.988 343 S CB -0.551 62.601 63.200 -0.081 0.000 0.838 343 S HN 0.569 nan 8.310 nan 0.000 0.462 344 I N 1.001 121.437 120.570 -0.224 0.000 2.118 344 I HA -0.251 3.920 4.170 0.002 0.000 0.241 344 I C 1.903 177.938 176.117 -0.137 0.000 1.070 344 I CA 1.498 62.636 61.300 -0.271 0.000 1.327 344 I CB -0.524 37.186 38.000 -0.484 0.000 1.034 344 I HN 0.230 nan 8.210 nan 0.000 0.405 345 F N 0.968 120.986 119.950 0.113 0.000 2.234 345 F HA -0.135 4.393 4.527 0.002 0.000 0.299 345 F C 2.393 178.225 175.800 0.052 0.000 1.087 345 F CA 0.978 59.038 58.000 0.100 0.000 1.340 345 F CB -1.119 37.963 39.000 0.136 0.000 1.031 345 F HN -0.064 nan 8.300 nan 0.000 0.500 346 K N 0.475 120.965 120.400 0.150 0.000 2.097 346 K HA -0.136 4.185 4.320 0.002 0.000 0.206 346 K C 2.080 178.688 176.600 0.014 0.000 1.049 346 K CA 1.412 57.738 56.287 0.065 0.000 0.933 346 K CB -0.377 32.150 32.500 0.045 0.000 0.717 346 K HN 0.241 nan 8.250 nan 0.000 0.442 347 I N 0.805 121.450 120.570 0.125 0.000 2.252 347 I HA -0.270 3.901 4.170 0.002 0.000 0.245 347 I C 1.979 178.267 176.117 0.286 0.000 1.102 347 I CA 0.715 62.195 61.300 0.300 0.000 1.385 347 I CB -0.204 37.965 38.000 0.281 0.000 1.064 347 I HN 0.110 nan 8.210 nan 0.000 0.414 348 I N 1.224 121.931 120.570 0.229 0.000 2.118 348 I HA -0.321 3.850 4.170 0.002 0.000 0.241 348 I C 2.871 179.088 176.117 0.167 0.000 1.070 348 I CA 1.980 63.404 61.300 0.207 0.000 1.327 348 I CB -1.657 36.392 38.000 0.081 0.000 1.034 348 I HN 0.201 nan 8.210 nan 0.000 0.405 349 A N 0.907 123.755 122.820 0.046 0.000 1.902 349 A HA -0.120 4.202 4.320 0.002 0.000 0.217 349 A C 2.526 180.025 177.584 -0.143 0.000 1.181 349 A CA 1.962 53.940 52.037 -0.099 0.000 0.623 349 A CB -1.405 17.591 19.000 -0.006 0.000 0.818 349 A HN 0.453 nan 8.150 nan 0.000 0.443 350 G N -0.087 108.603 108.800 -0.183 0.000 2.442 350 G HA2 -0.219 3.742 3.960 0.002 0.000 0.219 350 G HA3 -0.219 3.742 3.960 0.002 0.000 0.219 350 G C 1.529 176.525 174.900 0.161 0.000 1.141 350 G CA 1.152 45.974 45.100 -0.465 0.000 0.763 350 G HN 0.483 nan 8.290 nan 0.000 0.554 351 I N 0.265 121.053 120.570 0.362 0.000 2.179 351 I HA -0.133 4.038 4.170 0.002 0.000 0.242 351 I C 2.715 179.006 176.117 0.289 0.000 1.088 351 I CA 0.736 62.325 61.300 0.481 0.000 1.357 351 I CB -0.137 38.206 38.000 0.572 0.000 1.051 351 I HN 0.140 nan 8.210 nan 0.000 0.409 352 L N -0.473 120.767 121.223 0.028 0.000 2.046 352 L HA -0.236 4.106 4.340 0.002 0.000 0.208 352 L C 2.706 179.449 176.870 -0.212 0.000 1.077 352 L CA 1.117 55.778 54.840 -0.300 0.000 0.747 352 L CB -1.014 40.454 42.059 -0.984 0.000 0.896 352 L HN 0.360 nan 8.230 nan 0.000 0.432 353 H N 0.135 119.215 119.070 0.016 0.000 2.353 353 H HA -0.128 4.429 4.556 0.002 0.000 0.300 353 H C 2.420 177.788 175.328 0.065 0.000 1.090 353 H CA 1.346 57.451 56.048 0.094 0.000 1.327 353 H CB -0.297 29.504 29.762 0.065 0.000 1.383 353 H HN 0.311 nan 8.280 nan 0.000 0.508 354 L N -0.167 121.206 121.223 0.251 0.000 2.079 354 L HA -0.120 4.222 4.340 0.002 0.000 0.210 354 L C 2.710 179.589 176.870 0.014 0.000 1.081 354 L CA 1.198 56.171 54.840 0.222 0.000 0.752 354 L CB -0.702 41.584 42.059 0.378 0.000 0.896 354 L HN 0.307 nan 8.230 nan 0.000 0.433 355 G N -0.785 107.853 108.800 -0.271 0.000 2.509 355 G HA2 -0.212 3.749 3.960 0.002 0.000 0.218 355 G HA3 -0.212 3.749 3.960 0.002 0.000 0.218 355 G C 1.239 175.852 174.900 -0.479 0.000 1.124 355 G CA 0.373 44.884 45.100 -0.983 0.000 0.776 355 G HN 0.317 nan 8.290 nan 0.000 0.547 356 N N 0.080 118.660 118.700 -0.200 0.000 2.398 356 N HA 0.142 4.883 4.740 0.002 0.000 0.188 356 N C 0.658 176.098 175.510 -0.117 0.000 1.122 356 N CA -0.210 52.779 53.050 -0.101 0.000 0.866 356 N CB 0.157 38.660 38.487 0.025 0.000 0.970 356 N HN 0.283 nan 8.380 nan 0.000 0.462 357 I N 1.193 121.674 120.570 -0.148 0.000 2.668 357 I HA -0.087 4.084 4.170 0.002 0.000 0.285 357 I C 0.849 176.738 176.117 -0.380 0.000 1.168 357 I CA 0.432 61.555 61.300 -0.295 0.000 1.424 357 I CB 0.356 38.123 38.000 -0.388 0.000 1.377 357 I HN -0.136 nan 8.210 nan 0.000 0.560 358 K N 7.691 127.872 120.400 -0.365 0.000 2.367 358 K HA 0.390 4.712 4.320 0.002 0.000 0.263 358 K C -1.106 175.319 176.600 -0.291 0.000 1.000 358 K CA -0.585 55.554 56.287 -0.247 0.000 0.891 358 K CB 0.673 33.108 32.500 -0.110 0.000 1.117 358 K HN 0.225 nan 8.250 nan 0.000 0.443 359 F N 3.191 123.160 119.950 0.030 0.000 2.399 359 F HA 0.188 4.716 4.527 0.002 0.000 0.342 359 F C 0.991 176.807 175.800 0.027 0.000 1.106 359 F CA 0.046 58.067 58.000 0.036 0.000 1.196 359 F CB 0.831 39.858 39.000 0.045 0.000 1.163 359 F HN 0.517 nan 8.300 nan 0.000 0.547 360 E N 1.084 121.406 120.200 0.203 0.000 2.445 360 E HA 0.315 4.666 4.350 0.002 0.000 0.273 360 E C -1.309 175.352 176.600 0.102 0.000 0.961 360 E CA -1.333 55.142 56.400 0.124 0.000 0.807 360 E CB 1.696 31.438 29.700 0.070 0.000 1.362 360 E HN 0.332 nan 8.360 nan 0.000 0.453 361 K N 0.712 121.147 120.400 0.059 0.000 2.350 361 K HA 0.205 4.526 4.320 0.002 0.000 0.279 361 K C 0.110 176.727 176.600 0.028 0.000 1.027 361 K CA 0.231 56.535 56.287 0.029 0.000 0.969 361 K CB 0.825 33.331 32.500 0.010 0.000 0.954 361 K HN 0.661 nan 8.250 nan 0.000 0.474 362 G N 1.988 110.795 108.800 0.011 0.000 2.509 362 G HA2 0.317 4.279 3.960 0.002 0.000 0.269 362 G HA3 0.317 4.279 3.960 0.002 0.000 0.269 362 G C 0.817 175.722 174.900 0.008 0.000 1.416 362 G CA 0.257 45.373 45.100 0.026 0.000 1.052 362 G HN 0.700 nan 8.290 nan 0.000 0.542 363 A N -1.076 121.754 122.820 0.017 0.000 1.902 363 A HA 0.278 4.600 4.320 0.002 0.000 0.217 363 A C 1.663 179.242 177.584 -0.008 0.000 1.181 363 A CA 2.084 54.127 52.037 0.010 0.000 0.623 363 A CB -0.917 18.095 19.000 0.019 0.000 0.818 363 A HN 1.065 nan 8.150 nan 0.000 0.443 364 G N -1.844 106.941 108.800 -0.026 0.000 2.857 364 G HA2 0.380 4.341 3.960 0.002 0.000 0.217 364 G HA3 0.380 4.341 3.960 0.002 0.000 0.217 364 G C 0.484 175.329 174.900 -0.092 0.000 1.357 364 G CA 0.504 45.573 45.100 -0.051 0.000 1.033 364 G HN 0.228 nan 8.290 nan 0.000 0.571 365 E N -0.704 119.427 120.200 -0.115 0.000 2.204 365 E HA 0.095 4.447 4.350 0.002 0.000 0.194 365 E C 1.523 177.991 176.600 -0.220 0.000 0.989 365 E CA 0.725 57.050 56.400 -0.125 0.000 0.824 365 E CB -0.591 29.052 29.700 -0.095 0.000 0.756 365 E HN 0.500 nan 8.360 nan 0.000 0.477 366 G N 0.190 108.726 108.800 -0.440 0.000 2.491 366 G HA2 0.380 4.342 3.960 0.002 0.000 0.242 366 G HA3 0.380 4.342 3.960 0.002 0.000 0.242 366 G C -0.235 174.400 174.900 -0.443 0.000 1.266 366 G CA -0.080 44.462 45.100 -0.930 0.000 0.844 366 G HN 0.376 nan 8.290 nan 0.000 0.571 367 A N 0.400 123.139 122.820 -0.135 0.000 2.332 367 A HA 0.679 5.000 4.320 0.002 0.000 0.258 367 A C 0.479 178.234 177.584 0.285 0.000 1.087 367 A CA 0.208 52.308 52.037 0.105 0.000 0.802 367 A CB 0.734 19.797 19.000 0.106 0.000 1.042 367 A HN 1.982 nan 8.150 nan 0.000 0.489 368 V N -1.074 118.981 119.914 0.235 0.000 3.102 368 V HA 0.806 4.928 4.120 0.002 0.000 0.312 368 V C -1.063 175.153 176.094 0.203 0.000 1.135 368 V CA -0.986 61.444 62.300 0.216 0.000 1.022 368 V CB 1.734 33.643 31.823 0.143 0.000 1.056 368 V HN 0.857 nan 8.190 nan 0.000 0.436 369 L N 1.942 123.248 121.223 0.138 0.000 2.318 369 L HA 0.592 4.934 4.340 0.002 0.000 0.277 369 L C 0.817 177.699 176.870 0.020 0.000 1.008 369 L CA 0.220 55.094 54.840 0.056 0.000 0.846 369 L CB 1.118 43.195 42.059 0.031 0.000 1.220 369 L HN 0.840 nan 8.230 nan 0.000 0.423 370 K N 1.218 121.621 120.400 0.006 0.000 2.137 370 K HA 0.062 4.384 4.320 0.002 0.000 0.202 370 K C 0.007 176.596 176.600 -0.019 0.000 1.052 370 K CA 0.609 56.896 56.287 -0.000 0.000 0.961 370 K CB 0.285 32.787 32.500 0.003 0.000 0.741 370 K HN 0.499 nan 8.250 nan 0.000 0.452 371 D N 0.724 121.100 120.400 -0.039 0.000 2.344 371 D HA 0.128 4.770 4.640 0.002 0.000 0.239 371 D C -0.457 175.803 176.300 -0.067 0.000 1.064 371 D CA -0.195 53.776 54.000 -0.050 0.000 0.829 371 D CB 1.247 42.014 40.800 -0.055 0.000 1.129 371 D HN -0.153 nan 8.370 nan 0.000 0.506 372 K N 2.138 122.503 120.400 -0.059 0.000 2.440 372 K HA 0.113 4.435 4.320 0.002 0.000 0.206 372 K C 1.280 177.834 176.600 -0.077 0.000 1.025 372 K CA -0.119 56.130 56.287 -0.064 0.000 1.135 372 K CB 0.676 33.149 32.500 -0.045 0.000 0.856 372 K HN 0.341 nan 8.250 nan 0.000 0.502 373 T N 1.275 115.780 114.554 -0.081 0.000 2.652 373 T HA -0.208 4.143 4.350 0.002 0.000 0.267 373 T C 2.041 176.667 174.700 -0.123 0.000 1.039 373 T CA 1.777 63.817 62.100 -0.101 0.000 1.153 373 T CB -0.099 68.719 68.868 -0.084 0.000 0.863 373 T HN 0.362 nan 8.240 nan 0.000 0.428 374 A N 1.155 123.926 122.820 -0.082 0.000 1.902 374 A HA 0.002 4.323 4.320 0.002 0.000 0.217 374 A C 2.276 179.838 177.584 -0.037 0.000 1.181 374 A CA 1.437 53.453 52.037 -0.036 0.000 0.623 374 A CB -0.875 18.125 19.000 0.000 0.000 0.818 374 A HN 0.430 nan 8.150 nan 0.000 0.443 375 L N 0.467 121.664 121.223 -0.044 0.000 2.013 375 L HA -0.228 4.113 4.340 0.002 0.000 0.212 375 L C 1.851 178.706 176.870 -0.026 0.000 1.073 375 L CA 2.521 57.358 54.840 -0.005 0.000 0.753 375 L CB -0.640 41.410 42.059 -0.016 0.000 0.890 375 L HN 0.347 nan 8.230 nan 0.000 0.432 376 N N 0.138 118.787 118.700 -0.084 0.000 2.188 376 N HA -0.093 4.648 4.740 0.002 0.000 0.184 376 N C 1.845 177.243 175.510 -0.186 0.000 1.018 376 N CA 1.512 54.493 53.050 -0.114 0.000 0.858 376 N CB -0.575 37.838 38.487 -0.123 0.000 0.989 376 N HN 0.555 nan 8.380 nan 0.000 0.426 377 A N 1.122 123.755 122.820 -0.311 0.000 1.877 377 A HA 0.026 4.348 4.320 0.002 0.000 0.216 377 A C 2.379 179.758 177.584 -0.341 0.000 1.186 377 A CA 1.950 53.669 52.037 -0.530 0.000 0.620 377 A CB -0.926 17.503 19.000 -0.950 0.000 0.822 377 A HN 0.301 nan 8.150 nan 0.000 0.443 378 A N -0.449 122.281 122.820 -0.149 0.000 1.883 378 A HA -0.116 4.205 4.320 0.002 0.000 0.217 378 A C 2.457 180.102 177.584 0.101 0.000 1.186 378 A CA 2.256 54.318 52.037 0.040 0.000 0.624 378 A CB -0.947 18.254 19.000 0.335 0.000 0.822 378 A HN 0.469 nan 8.150 nan 0.000 0.444 379 S N -0.627 115.132 115.700 0.097 0.000 2.368 379 S HA -0.121 4.351 4.470 0.002 0.000 0.224 379 S C 2.051 176.665 174.600 0.023 0.000 1.029 379 S CA 1.673 59.922 58.200 0.082 0.000 0.988 379 S CB -0.561 62.644 63.200 0.008 0.000 0.838 379 S HN 0.703 nan 8.310 nan 0.000 0.462 380 T N 2.483 117.018 114.554 -0.032 0.000 2.652 380 T HA -0.123 4.228 4.350 0.002 0.000 0.267 380 T C 2.167 176.868 174.700 0.003 0.000 1.039 380 T CA 1.755 63.843 62.100 -0.021 0.000 1.153 380 T CB -0.632 68.212 68.868 -0.040 0.000 0.863 380 T HN 0.451 nan 8.240 nan 0.000 0.428 381 V N -0.935 118.958 119.914 -0.034 0.000 2.515 381 V HA -0.015 4.107 4.120 0.002 0.000 0.250 381 V C 2.024 178.088 176.094 -0.051 0.000 1.058 381 V CA 1.468 63.736 62.300 -0.054 0.000 1.064 381 V CB -1.194 30.575 31.823 -0.090 0.000 0.675 381 V HN 0.300 nan 8.190 nan 0.000 0.461 382 F N 2.371 122.362 119.950 0.069 0.000 2.558 382 F HA 0.488 5.016 4.527 0.002 0.000 0.298 382 F C 2.083 177.853 175.800 -0.050 0.000 1.119 382 F CA 0.418 58.447 58.000 0.048 0.000 1.451 382 F CB -0.814 38.215 39.000 0.049 0.000 1.091 382 F HN 0.430 nan 8.300 nan 0.000 0.563 383 G N 1.181 110.039 108.800 0.097 0.000 2.256 383 G HA2 -0.103 3.858 3.960 0.002 0.000 0.272 383 G HA3 -0.103 3.858 3.960 0.002 0.000 0.272 383 G C -0.112 174.738 174.900 -0.084 0.000 1.076 383 G CA 0.199 45.301 45.100 0.005 0.000 0.882 383 G HN 0.586 nan 8.290 nan 0.000 0.497 384 V N -3.273 116.562 119.914 -0.133 0.000 3.113 384 V HA 0.822 4.943 4.120 0.002 0.000 0.316 384 V C 0.298 176.295 176.094 -0.163 0.000 1.125 384 V CA -1.615 60.531 62.300 -0.257 0.000 1.026 384 V CB 2.116 33.566 31.823 -0.621 0.000 1.080 384 V HN 0.316 nan 8.190 nan 0.000 0.444 385 N N 2.997 121.601 118.700 -0.160 0.000 2.430 385 N HA 0.341 5.082 4.740 0.002 0.000 0.265 385 N C -1.543 173.917 175.510 -0.083 0.000 1.100 385 N CA -1.772 51.218 53.050 -0.099 0.000 0.961 385 N CB 1.772 40.207 38.487 -0.087 0.000 1.075 385 N HN 0.576 nan 8.380 nan 0.000 0.478 386 P HA -0.067 nan 4.420 nan 0.000 0.218 386 P C 0.972 178.263 177.300 -0.016 0.000 1.149 386 P CA 0.984 64.067 63.100 -0.028 0.000 0.817 386 P CB 0.375 32.059 31.700 -0.026 0.000 0.785 387 S N -0.047 115.640 115.700 -0.023 0.000 2.383 387 S HA -0.070 4.401 4.470 0.002 0.000 0.227 387 S C 2.154 176.746 174.600 -0.014 0.000 1.026 387 S CA 1.044 59.236 58.200 -0.014 0.000 0.981 387 S CB -1.164 62.025 63.200 -0.019 0.000 0.818 387 S HN -0.022 nan 8.310 nan 0.000 0.472 388 V N 1.975 121.872 119.914 -0.029 0.000 2.343 388 V HA -0.136 3.986 4.120 0.002 0.000 0.247 388 V C 2.254 178.340 176.094 -0.013 0.000 1.051 388 V CA 1.538 63.819 62.300 -0.031 0.000 1.036 388 V CB -0.661 31.127 31.823 -0.058 0.000 0.654 388 V HN 0.377 nan 8.190 nan 0.000 0.451 389 L N 0.389 121.603 121.223 -0.016 0.000 2.027 389 L HA -0.153 4.189 4.340 0.002 0.000 0.206 389 L C 2.415 179.335 176.870 0.085 0.000 1.074 389 L CA 2.317 57.180 54.840 0.038 0.000 0.745 389 L CB -0.795 41.286 42.059 0.036 0.000 0.898 389 L HN 0.447 nan 8.230 nan 0.000 0.433 390 E N -0.404 119.839 120.200 0.072 0.000 2.058 390 E HA -0.309 4.043 4.350 0.002 0.000 0.194 390 E C 2.208 178.857 176.600 0.081 0.000 0.997 390 E CA 1.665 58.125 56.400 0.100 0.000 0.801 390 E CB -0.060 29.678 29.700 0.064 0.000 0.746 390 E HN 0.496 nan 8.360 nan 0.000 0.450 391 K N -0.248 120.173 120.400 0.034 0.000 2.057 391 K HA -0.100 4.222 4.320 0.002 0.000 0.207 391 K C 2.000 178.608 176.600 0.013 0.000 1.049 391 K CA 1.118 57.408 56.287 0.004 0.000 0.931 391 K CB -0.106 32.387 32.500 -0.013 0.000 0.714 391 K HN 0.162 nan 8.250 nan 0.000 0.440 392 A N 0.627 123.466 122.820 0.032 0.000 2.015 392 A HA -0.085 4.237 4.320 0.002 0.000 0.219 392 A C 1.959 179.573 177.584 0.050 0.000 1.163 392 A CA 1.102 53.163 52.037 0.040 0.000 0.646 392 A CB -0.392 18.640 19.000 0.053 0.000 0.806 392 A HN 0.161 nan 8.150 nan 0.000 0.448 393 L N -1.748 119.523 121.223 0.080 0.000 2.068 393 L HA -0.035 4.306 4.340 0.002 0.000 0.204 393 L C 2.713 179.570 176.870 -0.021 0.000 1.076 393 L CA 1.335 56.218 54.840 0.072 0.000 0.753 393 L CB -0.303 41.893 42.059 0.229 0.000 0.910 393 L HN 0.352 nan 8.230 nan 0.000 0.439 394 M N -1.553 118.057 119.600 0.016 0.000 2.534 394 M HA 0.035 4.516 4.480 0.002 0.000 0.263 394 M C 0.209 176.505 176.300 -0.007 0.000 1.152 394 M CA 0.897 56.195 55.300 -0.003 0.000 1.145 394 M CB 0.552 33.198 32.600 0.078 0.000 1.333 394 M HN 0.063 nan 8.290 nan 0.000 0.477 395 E N 1.045 121.219 120.200 -0.043 0.000 4.044 395 E HA 0.225 4.577 4.350 0.002 0.000 0.216 395 E C -2.434 174.150 176.600 -0.026 0.000 1.104 395 E CA -1.486 54.873 56.400 -0.068 0.000 1.383 395 E CB 0.846 30.449 29.700 -0.161 0.000 1.195 395 E HN 0.151 nan 8.360 nan 0.000 0.442 396 P HA 0.094 nan 4.420 nan 0.000 0.274 396 P C -0.367 176.938 177.300 0.008 0.000 1.231 396 P CA -0.196 62.908 63.100 0.006 0.000 0.790 396 P CB 1.033 32.740 31.700 0.012 0.000 0.951 397 R N 2.048 122.555 120.500 0.011 0.000 2.368 397 R HA 0.639 4.980 4.340 0.002 0.000 0.302 397 R C 0.450 176.763 176.300 0.022 0.000 1.002 397 R CA -0.666 55.442 56.100 0.014 0.000 0.929 397 R CB 0.693 31.000 30.300 0.012 0.000 1.073 397 R HN 0.545 nan 8.270 nan 0.000 0.464 398 I N -1.361 119.222 120.570 0.022 0.000 3.239 398 I HA 0.489 4.661 4.170 0.002 0.000 0.314 398 I C -0.798 175.333 176.117 0.023 0.000 1.126 398 I CA -1.422 59.894 61.300 0.027 0.000 0.973 398 I CB 1.486 39.502 38.000 0.027 0.000 1.252 398 I HN 0.313 nan 8.210 nan 0.000 0.463 399 L N 2.341 123.579 121.223 0.025 0.000 2.350 399 L HA 0.649 4.990 4.340 0.002 0.000 0.275 399 L C 0.146 177.025 176.870 0.015 0.000 1.099 399 L CA -0.588 54.263 54.840 0.018 0.000 0.808 399 L CB 1.417 43.486 42.059 0.018 0.000 1.149 399 L HN 0.826 nan 8.230 nan 0.000 0.442 400 A N 2.447 125.274 122.820 0.011 0.000 2.360 400 A HA 0.658 4.980 4.320 0.002 0.000 0.309 400 A C 0.531 178.119 177.584 0.007 0.000 1.311 400 A CA 0.207 52.249 52.037 0.009 0.000 0.805 400 A CB 0.682 19.687 19.000 0.008 0.000 1.144 400 A HN 0.999 nan 8.150 nan 0.000 0.486 401 G N 2.566 111.370 108.800 0.006 0.000 2.557 401 G HA2 -0.323 3.638 3.960 0.002 0.000 0.292 401 G HA3 -0.323 3.638 3.960 0.002 0.000 0.292 401 G C 0.853 175.756 174.900 0.005 0.000 1.162 401 G CA 0.738 45.840 45.100 0.005 0.000 0.964 401 G HN 0.816 nan 8.290 nan 0.000 0.541 402 R N 0.845 121.349 120.500 0.005 0.000 2.437 402 R HA 0.247 4.589 4.340 0.002 0.000 0.257 402 R C 0.186 176.490 176.300 0.007 0.000 0.927 402 R CA 0.099 56.203 56.100 0.006 0.000 1.078 402 R CB 0.320 30.623 30.300 0.005 0.000 1.161 402 R HN 0.482 nan 8.270 nan 0.000 0.529 403 D N 0.819 121.223 120.400 0.007 0.000 2.357 403 D HA 0.067 4.708 4.640 0.002 0.000 0.242 403 D C -0.975 175.331 176.300 0.010 0.000 1.153 403 D CA -0.155 53.850 54.000 0.008 0.000 0.918 403 D CB 0.990 41.794 40.800 0.007 0.000 1.181 403 D HN -0.177 nan 8.370 nan 0.000 0.435 404 L N 3.555 124.784 121.223 0.009 0.000 2.298 404 L HA 0.471 4.812 4.340 0.002 0.000 0.284 404 L C -1.420 175.456 176.870 0.010 0.000 1.013 404 L CA -0.524 54.323 54.840 0.011 0.000 0.824 404 L CB 1.378 43.444 42.059 0.010 0.000 1.221 404 L HN 0.159 nan 8.230 nan 0.000 0.418 405 V N 4.838 124.758 119.914 0.011 0.000 2.577 405 V HA 0.730 4.852 4.120 0.002 0.000 0.303 405 V C 0.194 176.295 176.094 0.011 0.000 1.042 405 V CA -0.676 61.631 62.300 0.011 0.000 0.872 405 V CB 1.543 33.373 31.823 0.012 0.000 0.998 405 V HN 0.929 nan 8.190 nan 0.000 0.423 406 A N 4.704 127.528 122.820 0.008 0.000 2.362 406 A HA 0.606 4.928 4.320 0.002 0.000 0.276 406 A C 0.202 177.795 177.584 0.015 0.000 1.153 406 A CA -0.354 51.685 52.037 0.003 0.000 0.813 406 A CB 0.302 19.295 19.000 -0.012 0.000 1.081 406 A HN 0.746 nan 8.150 nan 0.000 0.507 407 Q N 0.645 120.457 119.800 0.020 0.000 2.316 407 Q HA 0.254 4.595 4.340 0.002 0.000 0.215 407 Q C -0.562 175.488 176.000 0.085 0.000 1.020 407 Q CA 0.099 55.929 55.803 0.043 0.000 0.970 407 Q CB 0.813 29.570 28.738 0.032 0.000 1.187 407 Q HN 0.874 nan 8.270 nan 0.000 0.546 408 H N 0.100 119.162 119.070 -0.013 0.000 3.036 408 H HA 0.372 4.929 4.556 0.002 0.000 0.295 408 H C -0.786 174.525 175.328 -0.029 0.000 1.124 408 H CA -0.326 55.713 56.048 -0.016 0.000 1.507 408 H CB 0.241 29.999 29.762 -0.006 0.000 1.591 408 H HN 0.362 nan 8.280 nan 0.000 0.510 409 L N 3.813 125.146 121.223 0.183 0.000 2.397 409 L HA 0.079 4.420 4.340 0.002 0.000 0.271 409 L C 0.777 177.622 176.870 -0.040 0.000 1.148 409 L CA -0.547 54.304 54.840 0.019 0.000 0.825 409 L CB 0.417 42.451 42.059 -0.041 0.000 1.117 409 L HN 0.734 nan 8.230 nan 0.000 0.456 410 N N 2.037 120.689 118.700 -0.079 0.000 2.285 410 N HA 0.029 4.770 4.740 0.002 0.000 0.262 410 N C 0.719 176.177 175.510 -0.086 0.000 1.299 410 N CA -0.615 52.381 53.050 -0.090 0.000 0.930 410 N CB 0.191 38.636 38.487 -0.069 0.000 1.157 410 N HN 0.265 nan 8.380 nan 0.000 0.532 411 V N -0.423 119.468 119.914 -0.038 0.000 2.343 411 V HA -0.199 3.922 4.120 0.002 0.000 0.247 411 V C 2.496 178.572 176.094 -0.031 0.000 1.051 411 V CA 2.219 64.520 62.300 0.001 0.000 1.036 411 V CB -1.064 30.805 31.823 0.076 0.000 0.654 411 V HN 0.803 nan 8.190 nan 0.000 0.451 412 E N 0.175 120.363 120.200 -0.020 0.000 2.047 412 E HA -0.237 4.114 4.350 0.002 0.000 0.191 412 E C 2.287 178.861 176.600 -0.044 0.000 0.987 412 E CA 1.308 57.703 56.400 -0.009 0.000 0.799 412 E CB -0.042 29.656 29.700 -0.004 0.000 0.752 412 E HN 0.551 nan 8.360 nan 0.000 0.449 413 K N 0.049 120.407 120.400 -0.070 0.000 2.097 413 K HA -0.068 4.253 4.320 0.002 0.000 0.206 413 K C 2.335 178.839 176.600 -0.160 0.000 1.049 413 K CA 1.315 57.552 56.287 -0.084 0.000 0.933 413 K CB -0.002 32.458 32.500 -0.067 0.000 0.717 413 K HN 0.005 nan 8.250 nan 0.000 0.442 414 S N 0.582 116.102 115.700 -0.300 0.000 2.368 414 S HA -0.148 4.323 4.470 0.002 0.000 0.224 414 S C 2.053 176.297 174.600 -0.594 0.000 1.029 414 S CA 1.369 59.187 58.200 -0.637 0.000 0.988 414 S CB -0.213 62.205 63.200 -1.303 0.000 0.838 414 S HN 0.325 nan 8.310 nan 0.000 0.462 415 S N 1.385 116.893 115.700 -0.320 0.000 2.370 415 S HA -0.109 4.362 4.470 0.002 0.000 0.226 415 S C 2.045 176.700 174.600 0.092 0.000 1.033 415 S CA 1.681 59.946 58.200 0.109 0.000 1.011 415 S CB -0.463 62.856 63.200 0.199 0.000 0.852 415 S HN 0.460 nan 8.310 nan 0.000 0.457 416 S N 0.532 116.244 115.700 0.021 0.000 2.382 416 S HA -0.061 4.410 4.470 0.002 0.000 0.228 416 S C 2.110 176.730 174.600 0.034 0.000 1.027 416 S CA 1.236 59.457 58.200 0.035 0.000 0.991 416 S CB -0.573 62.632 63.200 0.008 0.000 0.823 416 S HN 0.643 nan 8.310 nan 0.000 0.469 417 S N 1.475 117.172 115.700 -0.004 0.000 2.368 417 S HA -0.101 4.371 4.470 0.002 0.000 0.224 417 S C 2.147 176.786 174.600 0.065 0.000 1.029 417 S CA 0.854 59.059 58.200 0.008 0.000 0.988 417 S CB -0.308 62.872 63.200 -0.034 0.000 0.838 417 S HN 0.392 nan 8.310 nan 0.000 0.462 418 R N 1.185 121.757 120.500 0.121 0.000 2.091 418 R HA -0.130 4.212 4.340 0.002 0.000 0.238 418 R C 1.340 177.770 176.300 0.216 0.000 1.136 418 R CA 2.245 58.485 56.100 0.233 0.000 0.959 418 R CB -1.231 29.324 30.300 0.425 0.000 0.856 418 R HN 0.380 nan 8.270 nan 0.000 0.437 419 D N 0.352 120.872 120.400 0.200 0.000 2.144 419 D HA -0.085 4.557 4.640 0.002 0.000 0.199 419 D C 1.757 178.113 176.300 0.093 0.000 0.984 419 D CA 1.575 55.678 54.000 0.172 0.000 0.834 419 D CB -0.258 40.624 40.800 0.137 0.000 0.955 419 D HN 0.383 nan 8.370 nan 0.000 0.465 420 A N 0.627 123.487 122.820 0.067 0.000 1.902 420 A HA -0.125 4.196 4.320 0.002 0.000 0.217 420 A C 2.122 179.720 177.584 0.022 0.000 1.181 420 A CA 0.989 53.045 52.037 0.032 0.000 0.623 420 A CB -0.652 18.358 19.000 0.016 0.000 0.818 420 A HN 0.264 nan 8.150 nan 0.000 0.443 421 L N -0.043 121.197 121.223 0.029 0.000 2.017 421 L HA -0.097 4.245 4.340 0.002 0.000 0.208 421 L C 2.329 179.190 176.870 -0.015 0.000 1.073 421 L CA 1.950 56.772 54.840 -0.029 0.000 0.745 421 L CB -0.710 41.322 42.059 -0.045 0.000 0.894 421 L HN 0.130 nan 8.230 nan 0.000 0.432 422 V N 0.114 120.076 119.914 0.080 0.000 2.255 422 V HA -0.357 3.764 4.120 0.002 0.000 0.247 422 V C 2.662 178.825 176.094 0.115 0.000 1.051 422 V CA 2.390 64.778 62.300 0.146 0.000 1.018 422 V CB -0.683 31.266 31.823 0.210 0.000 0.641 422 V HN 0.497 nan 8.190 nan 0.000 0.445 423 K N -0.114 120.324 120.400 0.063 0.000 2.097 423 K HA -0.105 4.216 4.320 0.002 0.000 0.206 423 K C 2.277 178.922 176.600 0.075 0.000 1.049 423 K CA 1.386 57.716 56.287 0.071 0.000 0.933 423 K CB -0.394 32.128 32.500 0.038 0.000 0.717 423 K HN 0.493 nan 8.250 nan 0.000 0.442 424 A N 1.420 124.248 122.820 0.013 0.000 1.873 424 A HA -0.126 4.196 4.320 0.002 0.000 0.215 424 A C 2.132 179.665 177.584 -0.084 0.000 1.186 424 A CA 1.179 53.181 52.037 -0.058 0.000 0.616 424 A CB -0.627 18.309 19.000 -0.107 0.000 0.823 424 A HN 0.142 nan 8.150 nan 0.000 0.442 425 L N -2.317 118.884 121.223 -0.038 0.000 2.012 425 L HA -0.224 4.117 4.340 0.002 0.000 0.210 425 L C 2.588 179.493 176.870 0.058 0.000 1.073 425 L CA 1.970 56.799 54.840 -0.018 0.000 0.748 425 L CB -0.559 41.529 42.059 0.048 0.000 0.891 425 L HN 0.584 nan 8.230 nan 0.000 0.431 426 Y N 0.281 120.606 120.300 0.041 0.000 2.184 426 Y HA -0.131 4.420 4.550 0.002 0.000 0.290 426 Y C 2.351 178.265 175.900 0.023 0.000 1.129 426 Y CA 1.552 59.696 58.100 0.073 0.000 1.144 426 Y CB -0.502 38.028 38.460 0.116 0.000 0.995 426 Y HN 0.079 nan 8.280 nan 0.000 0.513 427 G N -0.249 108.637 108.800 0.144 0.000 2.422 427 G HA2 -0.228 3.733 3.960 0.002 0.000 0.218 427 G HA3 -0.228 3.733 3.960 0.002 0.000 0.218 427 G C 1.735 176.636 174.900 0.000 0.000 1.146 427 G CA 0.732 45.870 45.100 0.063 0.000 0.769 427 G HN 0.317 nan 8.290 nan 0.000 0.547 428 R N -0.706 119.750 120.500 -0.073 0.000 2.075 428 R HA 0.043 4.385 4.340 0.002 0.000 0.232 428 R C 2.456 178.707 176.300 -0.082 0.000 1.126 428 R CA 0.961 56.990 56.100 -0.118 0.000 0.963 428 R CB -0.483 29.654 30.300 -0.271 0.000 0.858 428 R HN 0.363 nan 8.270 nan 0.000 0.435 429 L N 0.347 121.498 121.223 -0.120 0.000 2.012 429 L HA -0.191 4.150 4.340 0.002 0.000 0.210 429 L C 1.960 178.740 176.870 -0.149 0.000 1.073 429 L CA 1.718 56.477 54.840 -0.134 0.000 0.748 429 L CB -0.640 41.283 42.059 -0.227 0.000 0.891 429 L HN 0.053 nan 8.230 nan 0.000 0.431 430 F N -0.478 119.241 119.950 -0.385 0.000 2.095 430 F HA -0.236 4.293 4.527 0.002 0.000 0.298 430 F C 2.144 177.783 175.800 -0.269 0.000 1.104 430 F CA 1.838 59.593 58.000 -0.409 0.000 1.232 430 F CB -0.271 38.484 39.000 -0.409 0.000 0.987 430 F HN 0.058 nan 8.300 nan 0.000 0.475 431 L N -1.457 119.718 121.223 -0.081 0.000 2.046 431 L HA -0.250 4.091 4.340 0.002 0.000 0.208 431 L C 2.329 179.111 176.870 -0.147 0.000 1.077 431 L CA 1.765 56.529 54.840 -0.127 0.000 0.747 431 L CB -1.008 41.035 42.059 -0.027 0.000 0.896 431 L HN 0.422 nan 8.230 nan 0.000 0.432 432 W N 0.928 122.079 121.300 -0.248 0.000 2.335 432 W HA -0.221 4.441 4.660 0.002 0.000 0.311 432 W C 2.294 178.679 176.519 -0.222 0.000 1.213 432 W CA 1.528 58.749 57.345 -0.206 0.000 1.274 432 W CB -0.292 29.064 29.460 -0.174 0.000 1.148 432 W HN -0.034 nan 8.180 nan 0.000 0.498 433 L N -0.354 120.689 121.223 -0.300 0.000 2.012 433 L HA -0.301 4.040 4.340 0.002 0.000 0.210 433 L C 2.310 178.887 176.870 -0.487 0.000 1.073 433 L CA 1.654 56.202 54.840 -0.486 0.000 0.748 433 L CB -1.482 40.178 42.059 -0.666 0.000 0.891 433 L HN -0.133 nan 8.230 nan 0.000 0.431 434 V N -0.028 119.541 119.914 -0.576 0.000 2.343 434 V HA -0.313 3.809 4.120 0.002 0.000 0.247 434 V C 2.562 178.435 176.094 -0.368 0.000 1.051 434 V CA 2.025 64.038 62.300 -0.480 0.000 1.036 434 V CB -0.568 30.948 31.823 -0.512 0.000 0.654 434 V HN 0.448 nan 8.190 nan 0.000 0.451 435 K N 0.005 120.184 120.400 -0.369 0.000 2.032 435 K HA -0.213 4.108 4.320 0.002 0.000 0.209 435 K C 2.292 178.645 176.600 -0.411 0.000 1.048 435 K CA 1.384 57.474 56.287 -0.328 0.000 0.927 435 K CB -0.079 32.257 32.500 -0.274 0.000 0.712 435 K HN 0.239 nan 8.250 nan 0.000 0.441 436 K N 0.656 120.695 120.400 -0.602 0.000 2.057 436 K HA -0.105 4.217 4.320 0.002 0.000 0.207 436 K C 2.164 178.428 176.600 -0.560 0.000 1.049 436 K CA 1.361 57.219 56.287 -0.715 0.000 0.931 436 K CB -0.304 31.541 32.500 -1.092 0.000 0.714 436 K HN 0.285 nan 8.250 nan 0.000 0.440 437 I N 1.719 122.040 120.570 -0.415 0.000 2.226 437 I HA -0.288 3.883 4.170 0.002 0.000 0.245 437 I C 1.880 177.843 176.117 -0.256 0.000 1.100 437 I CA 1.056 62.180 61.300 -0.293 0.000 1.374 437 I CB -0.339 37.553 38.000 -0.181 0.000 1.057 437 I HN 0.117 nan 8.210 nan 0.000 0.413 438 N N 0.961 119.511 118.700 -0.250 0.000 2.244 438 N HA -0.141 4.601 4.740 0.002 0.000 0.183 438 N C 1.497 176.890 175.510 -0.196 0.000 1.016 438 N CA 1.222 54.151 53.050 -0.202 0.000 0.866 438 N CB -0.563 37.811 38.487 -0.189 0.000 0.980 438 N HN 0.452 nan 8.380 nan 0.000 0.430 439 N N -0.252 118.311 118.700 -0.229 0.000 2.166 439 N HA -0.092 4.650 4.740 0.002 0.000 0.186 439 N C 1.536 176.927 175.510 -0.199 0.000 1.019 439 N CA 0.751 53.677 53.050 -0.207 0.000 0.856 439 N CB 0.210 38.554 38.487 -0.239 0.000 0.993 439 N HN -0.009 nan 8.380 nan 0.000 0.426 440 V N 1.244 121.018 119.914 -0.233 0.000 2.379 440 V HA -0.124 3.997 4.120 0.002 0.000 0.245 440 V C 1.982 177.981 176.094 -0.159 0.000 1.044 440 V CA 1.259 63.438 62.300 -0.203 0.000 1.036 440 V CB -0.382 31.301 31.823 -0.234 0.000 0.664 440 V HN 0.314 nan 8.190 nan 0.000 0.453 441 L N -0.875 120.254 121.223 -0.157 0.000 2.341 441 L HA 0.075 4.416 4.340 0.002 0.000 0.214 441 L C 1.178 177.974 176.870 -0.124 0.000 1.115 441 L CA 0.472 55.232 54.840 -0.133 0.000 0.820 441 L CB 0.027 42.008 42.059 -0.130 0.000 0.944 441 L HN 0.421 nan 8.230 nan 0.000 0.452 442 C N 1.187 120.412 119.300 -0.126 0.000 2.409 442 C HA 0.340 4.801 4.460 0.002 0.000 0.297 442 C C 0.952 175.882 174.990 -0.101 0.000 1.083 442 C CA -0.410 58.541 59.018 -0.112 0.000 1.515 442 C CB 0.106 27.777 27.740 -0.116 0.000 1.869 442 C HN 0.377 nan 8.230 nan 0.000 0.413 443 Q N 2.119 121.866 119.800 -0.089 0.000 2.164 443 Q HA 0.324 4.665 4.340 0.002 0.000 0.226 443 Q C -0.184 175.779 176.000 -0.062 0.000 0.813 443 Q CA 0.164 55.920 55.803 -0.078 0.000 0.978 443 Q CB 1.338 30.029 28.738 -0.079 0.000 1.149 443 Q HN 0.725 nan 8.270 nan 0.000 0.489 444 E N 0.911 121.077 120.200 -0.056 0.000 2.340 444 E HA 0.390 4.742 4.350 0.002 0.000 0.273 444 E C -0.649 175.930 176.600 -0.035 0.000 0.891 444 E CA -0.628 55.748 56.400 -0.040 0.000 0.757 444 E CB 2.252 31.933 29.700 -0.031 0.000 1.231 444 E HN 0.019 nan 8.360 nan 0.000 0.439 445 R N 1.382 121.866 120.500 -0.026 0.000 2.543 445 R HA 0.119 4.460 4.340 0.002 0.000 0.277 445 R C 0.573 176.868 176.300 -0.008 0.000 1.074 445 R CA 0.086 56.173 56.100 -0.021 0.000 1.076 445 R CB 0.677 30.965 30.300 -0.020 0.000 0.993 445 R HN 0.412 nan 8.270 nan 0.000 0.459 446 K N 0.792 121.193 120.400 0.001 0.000 2.098 446 K HA 0.452 4.773 4.320 0.002 0.000 0.258 446 K C 0.007 176.608 176.600 0.002 0.000 0.973 446 K CA -0.575 55.732 56.287 0.034 0.000 0.898 446 K CB 1.842 34.387 32.500 0.076 0.000 1.057 446 K HN 0.502 nan 8.250 nan 0.000 0.447 447 A N 1.803 124.613 122.820 -0.017 0.000 1.924 447 A HA 0.186 4.508 4.320 0.002 0.000 0.211 447 A C -0.254 177.028 177.584 -0.502 0.000 1.198 447 A CA 0.606 52.473 52.037 -0.284 0.000 0.657 447 A CB -0.228 18.596 19.000 -0.292 0.000 0.852 447 A HN 0.682 nan 8.150 nan 0.000 0.454 448 Y N -2.169 118.274 120.300 0.238 0.000 2.644 448 Y HA 0.573 5.124 4.550 0.002 0.000 0.338 448 Y C -0.652 175.513 175.900 0.442 0.000 1.119 448 Y CA -1.673 56.574 58.100 0.245 0.000 1.060 448 Y CB 1.460 40.002 38.460 0.137 0.000 1.294 448 Y HN 0.330 nan 8.280 nan 0.000 0.472 449 F N -0.866 119.347 119.950 0.437 0.000 2.645 449 F HA 0.854 5.382 4.527 0.002 0.000 0.310 449 F C -1.964 174.049 175.800 0.354 0.000 1.102 449 F CA -1.596 56.640 58.000 0.392 0.000 0.952 449 F CB 1.207 40.331 39.000 0.206 0.000 1.326 449 F HN 0.250 nan 8.300 nan 0.000 0.456 450 I N 2.089 122.983 120.570 0.539 0.000 2.389 450 I HA 0.576 4.748 4.170 0.002 0.000 0.288 450 I C 0.158 176.465 176.117 0.316 0.000 0.999 450 I CA -0.905 60.583 61.300 0.313 0.000 1.129 450 I CB 1.767 39.954 38.000 0.313 0.000 1.288 450 I HN 0.977 nan 8.210 nan 0.000 0.444 451 G N 5.659 114.624 108.800 0.276 0.000 2.356 451 G HA2 0.592 4.553 3.960 0.002 0.000 0.322 451 G HA3 0.592 4.553 3.960 0.002 0.000 0.322 451 G C -0.828 173.918 174.900 -0.256 0.000 1.125 451 G CA -0.306 44.642 45.100 -0.254 0.000 0.885 451 G HN 0.337 nan 8.290 nan 0.000 0.467 452 V N 3.152 122.805 119.914 -0.435 0.000 2.444 452 V HA 0.388 4.509 4.120 0.002 0.000 0.294 452 V C -0.393 175.683 176.094 -0.029 0.000 1.022 452 V CA -0.829 61.407 62.300 -0.106 0.000 0.850 452 V CB 1.380 33.172 31.823 -0.052 0.000 0.992 452 V HN 0.678 nan 8.190 nan 0.000 0.426 453 L N 3.985 125.324 121.223 0.194 0.000 2.282 453 L HA 0.709 5.050 4.340 0.002 0.000 0.288 453 L C -0.548 176.423 176.870 0.169 0.000 1.033 453 L CA 0.375 55.406 54.840 0.318 0.000 0.807 453 L CB 1.361 43.625 42.059 0.342 0.000 1.209 453 L HN 0.708 nan 8.230 nan 0.000 0.423 454 D N 5.419 125.909 120.400 0.150 0.000 2.378 454 D HA 0.264 4.905 4.640 0.002 0.000 0.265 454 D C -0.291 176.045 176.300 0.061 0.000 1.229 454 D CA -0.350 53.696 54.000 0.076 0.000 0.914 454 D CB 0.351 41.169 40.800 0.029 0.000 1.140 454 D HN 0.504 nan 8.370 nan 0.000 0.516 455 I N -0.966 119.648 120.570 0.072 0.000 2.886 455 I HA 0.488 4.660 4.170 0.002 0.000 0.299 455 I C 0.257 176.384 176.117 0.017 0.000 1.044 455 I CA -0.697 60.637 61.300 0.056 0.000 1.310 455 I CB 1.091 39.118 38.000 0.046 0.000 1.441 455 I HN -0.037 nan 8.210 nan 0.000 0.578 456 S N 2.334 118.042 115.700 0.014 0.000 2.533 456 S HA 0.317 4.789 4.470 0.002 0.000 0.282 456 S C 0.421 175.044 174.600 0.037 0.000 1.304 456 S CA -0.292 57.918 58.200 0.016 0.000 1.063 456 S CB 0.630 63.848 63.200 0.030 0.000 0.881 456 S HN 0.910 nan 8.310 nan 0.000 0.493 457 G N 1.343 110.170 108.800 0.045 0.000 2.537 457 G HA2 0.449 4.410 3.960 0.002 0.000 0.273 457 G HA3 0.449 4.410 3.960 0.002 0.000 0.273 457 G C -0.409 174.531 174.900 0.067 0.000 1.189 457 G CA -0.740 44.409 45.100 0.082 0.000 0.881 457 G HN 0.595 nan 8.290 nan 0.000 0.535 458 F N 0.998 120.941 119.950 -0.012 0.000 2.629 458 F HA 0.252 4.781 4.527 0.002 0.000 0.369 458 F C 0.933 176.642 175.800 -0.150 0.000 1.125 458 F CA 0.556 58.514 58.000 -0.071 0.000 1.330 458 F CB 0.573 39.532 39.000 -0.068 0.000 1.071 458 F HN 0.619 nan 8.300 nan 0.000 0.595 459 E N 5.815 125.543 120.200 -0.787 0.000 2.372 459 E HA 0.602 4.954 4.350 0.002 0.000 0.279 459 E C -1.751 174.340 176.600 -0.849 0.000 0.946 459 E CA -0.933 55.072 56.400 -0.658 0.000 0.769 459 E CB 2.010 31.313 29.700 -0.662 0.000 1.230 459 E HN 0.556 nan 8.360 nan 0.000 0.442 460 I N 2.189 122.332 120.570 -0.712 0.000 2.499 460 I HA 0.457 4.628 4.170 0.002 0.000 0.288 460 I C -1.209 174.576 176.117 -0.553 0.000 1.048 460 I CA -0.829 60.137 61.300 -0.557 0.000 1.062 460 I CB 0.991 38.842 38.000 -0.250 0.000 1.238 460 I HN 0.457 nan 8.210 nan 0.000 0.426 461 F N 3.422 123.314 119.950 -0.097 0.000 2.613 461 F HA 0.493 5.021 4.527 0.002 0.000 0.342 461 F C 1.470 177.237 175.800 -0.055 0.000 1.066 461 F CA -1.071 56.896 58.000 -0.056 0.000 1.002 461 F CB 0.817 39.799 39.000 -0.030 0.000 1.319 461 F HN 0.289 nan 8.300 nan 0.000 0.495 462 K N -0.198 120.321 120.400 0.199 0.000 2.103 462 K HA -0.013 4.309 4.320 0.002 0.000 0.207 462 K C -0.247 176.404 176.600 0.086 0.000 1.048 462 K CA 1.192 57.534 56.287 0.092 0.000 0.930 462 K CB -0.103 32.436 32.500 0.064 0.000 0.716 462 K HN 0.182 nan 8.250 nan 0.000 0.444 463 V N 2.311 122.308 119.914 0.138 0.000 2.487 463 V HA 0.195 4.316 4.120 0.002 0.000 0.298 463 V C -0.862 175.340 176.094 0.180 0.000 1.028 463 V CA -1.059 61.315 62.300 0.124 0.000 0.860 463 V CB 1.618 33.510 31.823 0.116 0.000 0.991 463 V HN 0.189 nan 8.190 nan 0.000 0.427 464 N N 2.530 121.304 118.700 0.122 0.000 2.342 464 N HA 0.593 5.335 4.740 0.002 0.000 0.293 464 N C -0.405 175.314 175.510 0.349 0.000 1.026 464 N CA -0.202 52.946 53.050 0.163 0.000 0.857 464 N CB 2.344 40.747 38.487 -0.140 0.000 1.256 464 N HN 0.635 nan 8.380 nan 0.000 0.484 465 S N 0.377 116.326 115.700 0.414 0.000 2.874 465 S HA 0.379 4.851 4.470 0.002 0.000 0.318 465 S C 0.837 175.646 174.600 0.348 0.000 1.109 465 S CA -0.536 57.994 58.200 0.549 0.000 0.878 465 S CB 0.342 63.751 63.200 0.347 0.000 1.307 465 S HN 0.408 nan 8.310 nan 0.000 0.592 466 F N 2.160 121.886 119.950 -0.374 0.000 2.091 466 F HA -0.090 4.439 4.527 0.002 0.000 0.299 466 F C 1.931 177.450 175.800 -0.469 0.000 1.103 466 F CA 2.653 59.992 58.000 -1.102 0.000 1.228 466 F CB -0.706 37.491 39.000 -1.339 0.000 0.984 466 F HN 0.679 nan 8.300 nan 0.000 0.477 467 E N 0.002 120.002 120.200 -0.334 0.000 2.097 467 E HA -0.269 4.082 4.350 0.002 0.000 0.196 467 E C 2.084 178.544 176.600 -0.232 0.000 1.000 467 E CA 1.800 58.025 56.400 -0.291 0.000 0.804 467 E CB -0.360 29.316 29.700 -0.039 0.000 0.740 467 E HN 0.453 nan 8.360 nan 0.000 0.454 468 Q N -0.180 119.581 119.800 -0.065 0.000 2.119 468 Q HA -0.063 4.279 4.340 0.002 0.000 0.201 468 Q C 2.054 178.045 176.000 -0.016 0.000 0.972 468 Q CA 0.699 56.504 55.803 0.003 0.000 0.847 468 Q CB -0.246 28.574 28.738 0.137 0.000 0.903 468 Q HN 0.251 nan 8.270 nan 0.000 0.433 469 L N -0.502 120.645 121.223 -0.126 0.000 2.046 469 L HA -0.158 4.183 4.340 0.002 0.000 0.208 469 L C 1.818 178.497 176.870 -0.318 0.000 1.077 469 L CA 1.749 56.376 54.840 -0.354 0.000 0.747 469 L CB -0.698 41.005 42.059 -0.593 0.000 0.896 469 L HN 0.262 nan 8.230 nan 0.000 0.432 470 C N -0.497 118.454 119.300 -0.580 0.000 2.446 470 C HA -0.070 4.392 4.460 0.002 0.000 0.277 470 C C 2.715 177.536 174.990 -0.282 0.000 1.275 470 C CA 0.709 59.305 59.018 -0.702 0.000 1.727 470 C CB -0.845 26.281 27.740 -1.024 0.000 2.010 470 C HN 0.591 nan 8.230 nan 0.000 0.486 471 I N 1.560 122.015 120.570 -0.193 0.000 2.163 471 I HA -0.214 3.958 4.170 0.002 0.000 0.243 471 I C 2.150 178.234 176.117 -0.054 0.000 1.085 471 I CA 1.519 62.773 61.300 -0.076 0.000 1.347 471 I CB -0.505 37.437 38.000 -0.097 0.000 1.044 471 I HN 0.398 nan 8.210 nan 0.000 0.408 472 N N -0.088 118.529 118.700 -0.138 0.000 2.270 472 N HA -0.204 4.537 4.740 0.002 0.000 0.181 472 N C 1.756 177.360 175.510 0.158 0.000 1.016 472 N CA 0.966 53.915 53.050 -0.168 0.000 0.870 472 N CB -0.448 37.645 38.487 -0.657 0.000 0.979 472 N HN 0.352 nan 8.380 nan 0.000 0.431 473 Y N 2.251 122.585 120.300 0.057 0.000 2.181 473 Y HA -0.145 4.406 4.550 0.002 0.000 0.288 473 Y C 2.086 178.095 175.900 0.183 0.000 1.146 473 Y CA 1.355 59.559 58.100 0.174 0.000 1.164 473 Y CB -0.828 37.674 38.460 0.070 0.000 0.982 473 Y HN -0.021 nan 8.280 nan 0.000 0.515 474 T N 1.086 115.666 114.554 0.042 0.000 2.746 474 T HA -0.191 4.160 4.350 0.002 0.000 0.267 474 T C 1.781 176.476 174.700 -0.009 0.000 1.039 474 T CA 1.604 63.665 62.100 -0.065 0.000 1.142 474 T CB -0.297 68.576 68.868 0.009 0.000 0.866 474 T HN 0.480 nan 8.240 nan 0.000 0.444 475 N N 0.618 119.391 118.700 0.122 0.000 2.142 475 N HA -0.112 4.630 4.740 0.002 0.000 0.186 475 N C 2.040 177.589 175.510 0.065 0.000 1.023 475 N CA 1.069 54.233 53.050 0.189 0.000 0.852 475 N CB -0.148 38.614 38.487 0.459 0.000 0.998 475 N HN 0.434 nan 8.380 nan 0.000 0.424 476 E N 1.525 121.851 120.200 0.210 0.000 2.077 476 E HA -0.120 4.231 4.350 0.002 0.000 0.193 476 E C 1.759 178.359 176.600 -0.001 0.000 0.989 476 E CA 1.213 57.673 56.400 0.101 0.000 0.800 476 E CB 0.188 30.178 29.700 0.484 0.000 0.746 476 E HN 0.057 nan 8.360 nan 0.000 0.452 477 K N -0.048 120.357 120.400 0.007 0.000 2.062 477 K HA -0.093 4.229 4.320 0.002 0.000 0.205 477 K C 2.119 178.732 176.600 0.021 0.000 1.051 477 K CA 0.645 56.921 56.287 -0.019 0.000 0.941 477 K CB -0.497 31.885 32.500 -0.197 0.000 0.719 477 K HN 0.207 nan 8.250 nan 0.000 0.440 478 L N 1.917 123.133 121.223 -0.013 0.000 2.042 478 L HA -0.216 4.126 4.340 0.002 0.000 0.210 478 L C 2.477 179.400 176.870 0.089 0.000 1.076 478 L CA 1.847 56.725 54.840 0.062 0.000 0.749 478 L CB -0.637 41.442 42.059 0.034 0.000 0.893 478 L HN 0.132 nan 8.230 nan 0.000 0.432 479 Q N -0.654 119.070 119.800 -0.127 0.000 2.084 479 Q HA -0.270 4.071 4.340 0.002 0.000 0.202 479 Q C 2.283 178.297 176.000 0.023 0.000 0.978 479 Q CA 2.062 57.740 55.803 -0.208 0.000 0.844 479 Q CB -0.365 27.935 28.738 -0.730 0.000 0.898 479 Q HN 0.617 nan 8.270 nan 0.000 0.426 480 Q N -0.971 118.858 119.800 0.048 0.000 2.167 480 Q HA -0.101 4.241 4.340 0.002 0.000 0.202 480 Q C 1.646 177.772 176.000 0.209 0.000 0.970 480 Q CA 1.523 57.403 55.803 0.128 0.000 0.855 480 Q CB -0.536 28.274 28.738 0.119 0.000 0.911 480 Q HN 0.503 nan 8.270 nan 0.000 0.438 481 F N -0.427 119.598 119.950 0.125 0.000 2.146 481 F HA -0.130 4.398 4.527 0.002 0.000 0.298 481 F C 1.722 177.691 175.800 0.280 0.000 1.096 481 F CA 1.309 59.456 58.000 0.244 0.000 1.275 481 F CB -0.422 38.719 39.000 0.234 0.000 1.008 481 F HN 0.251 nan 8.300 nan 0.000 0.480 482 F N 1.403 121.361 119.950 0.013 0.000 2.095 482 F HA -0.275 4.254 4.527 0.002 0.000 0.298 482 F C 2.166 177.690 175.800 -0.460 0.000 1.104 482 F CA 2.078 59.714 58.000 -0.606 0.000 1.232 482 F CB -0.736 37.791 39.000 -0.788 0.000 0.987 482 F HN -0.089 nan 8.300 nan 0.000 0.475 483 N N -0.329 118.341 118.700 -0.050 0.000 2.104 483 N HA -0.241 4.501 4.740 0.002 0.000 0.190 483 N C 1.798 177.253 175.510 -0.091 0.000 1.024 483 N CA 1.734 54.819 53.050 0.058 0.000 0.853 483 N CB -0.934 37.721 38.487 0.280 0.000 1.008 483 N HN 0.473 nan 8.380 nan 0.000 0.424 484 H N 0.462 119.424 119.070 -0.181 0.000 2.321 484 H HA -0.010 4.547 4.556 0.002 0.000 0.300 484 H C 1.921 176.982 175.328 -0.445 0.000 1.087 484 H CA 1.793 57.698 56.048 -0.237 0.000 1.319 484 H CB -0.203 29.420 29.762 -0.232 0.000 1.379 484 H HN 0.363 nan 8.280 nan 0.000 0.501 485 H N -0.992 117.733 119.070 -0.575 0.000 2.357 485 H HA -0.084 4.474 4.556 0.002 0.000 0.301 485 H C 2.085 176.992 175.328 -0.701 0.000 1.082 485 H CA 1.450 57.126 56.048 -0.620 0.000 1.342 485 H CB 0.261 29.754 29.762 -0.448 0.000 1.389 485 H HN 0.376 nan 8.280 nan 0.000 0.511 486 M N -0.349 118.664 119.600 -0.978 0.000 2.236 486 M HA -0.054 4.427 4.480 0.002 0.000 0.266 486 M C 1.473 177.077 176.300 -1.161 0.000 1.070 486 M CA 1.272 55.778 55.300 -1.322 0.000 1.137 486 M CB -0.531 30.671 32.600 -2.331 0.000 1.378 486 M HN 0.155 nan 8.290 nan 0.000 0.426 487 F N -0.666 119.027 119.950 -0.428 0.000 2.537 487 F HA 0.215 4.743 4.527 0.002 0.000 0.275 487 F C 2.356 178.053 175.800 -0.171 0.000 0.947 487 F CA 0.158 57.976 58.000 -0.304 0.000 1.238 487 F CB -0.849 38.008 39.000 -0.239 0.000 1.071 487 F HN -0.052 nan 8.300 nan 0.000 0.749 488 K N 1.023 121.425 120.400 0.003 0.000 2.031 488 K HA -0.006 4.316 4.320 0.002 0.000 0.205 488 K C 1.980 178.480 176.600 -0.168 0.000 1.049 488 K CA 1.135 57.439 56.287 0.029 0.000 0.939 488 K CB -0.302 32.257 32.500 0.098 0.000 0.717 488 K HN 0.212 nan 8.250 nan 0.000 0.438 489 L N 0.976 121.930 121.223 -0.449 0.000 2.093 489 L HA -0.164 4.177 4.340 0.002 0.000 0.208 489 L C 2.557 179.203 176.870 -0.373 0.000 1.085 489 L CA 1.281 55.837 54.840 -0.473 0.000 0.755 489 L CB -0.363 41.264 42.059 -0.721 0.000 0.904 489 L HN 0.325 nan 8.230 nan 0.000 0.435 490 E N 0.409 120.356 120.200 -0.423 0.000 2.038 490 E HA -0.261 4.090 4.350 0.002 0.000 0.195 490 E C 2.163 178.259 176.600 -0.840 0.000 1.000 490 E CA 1.649 57.717 56.400 -0.554 0.000 0.803 490 E CB -0.057 29.344 29.700 -0.499 0.000 0.750 490 E HN 0.424 nan 8.360 nan 0.000 0.448 491 Q N -0.247 119.254 119.800 -0.498 0.000 2.230 491 Q HA -0.103 4.238 4.340 0.002 0.000 0.202 491 Q C 2.121 178.039 176.000 -0.137 0.000 0.963 491 Q CA 1.091 56.679 55.803 -0.358 0.000 0.866 491 Q CB -0.033 28.846 28.738 0.235 0.000 0.931 491 Q HN 0.425 nan 8.270 nan 0.000 0.452 492 E N 0.808 120.947 120.200 -0.103 0.000 2.118 492 E HA -0.241 4.110 4.350 0.002 0.000 0.195 492 E C 1.816 178.382 176.600 -0.056 0.000 0.992 492 E CA 1.141 57.512 56.400 -0.048 0.000 0.804 492 E CB 0.108 29.772 29.700 -0.060 0.000 0.741 492 E HN 0.224 nan 8.360 nan 0.000 0.458 493 E N 0.198 120.323 120.200 -0.125 0.000 2.028 493 E HA -0.201 4.151 4.350 0.002 0.000 0.191 493 E C 1.672 178.314 176.600 0.070 0.000 0.988 493 E CA 1.297 57.696 56.400 -0.002 0.000 0.799 493 E CB -0.305 29.411 29.700 0.026 0.000 0.755 493 E HN 0.265 nan 8.360 nan 0.000 0.447 494 Y N 0.185 120.373 120.300 -0.187 0.000 2.139 494 Y HA -0.180 4.372 4.550 0.002 0.000 0.282 494 Y C 2.300 178.081 175.900 -0.199 0.000 1.179 494 Y CA 1.188 59.053 58.100 -0.393 0.000 1.161 494 Y CB -1.271 36.816 38.460 -0.622 0.000 0.970 494 Y HN 0.188 nan 8.280 nan 0.000 0.511 495 L N 0.638 121.921 121.223 0.101 0.000 2.027 495 L HA -0.135 4.206 4.340 0.002 0.000 0.206 495 L C 2.569 179.469 176.870 0.049 0.000 1.074 495 L CA 2.297 57.192 54.840 0.091 0.000 0.745 495 L CB -0.889 41.233 42.059 0.105 0.000 0.898 495 L HN 0.039 nan 8.230 nan 0.000 0.433 496 K N -0.796 119.633 120.400 0.047 0.000 2.281 496 K HA -0.124 4.197 4.320 0.002 0.000 0.203 496 K C 1.745 178.381 176.600 0.060 0.000 1.046 496 K CA 1.575 57.892 56.287 0.049 0.000 0.938 496 K CB -0.514 32.017 32.500 0.050 0.000 0.737 496 K HN 0.603 nan 8.250 nan 0.000 0.458 497 E N -0.272 119.964 120.200 0.060 0.000 2.474 497 E HA 0.067 4.419 4.350 0.002 0.000 0.195 497 E C 0.043 176.631 176.600 -0.020 0.000 1.039 497 E CA 0.072 56.510 56.400 0.064 0.000 0.881 497 E CB 0.549 30.329 29.700 0.133 0.000 0.970 497 E HN 0.224 nan 8.360 nan 0.000 0.486 498 K N 0.733 121.119 120.400 -0.023 0.000 3.730 498 K HA -0.154 4.168 4.320 0.002 0.000 0.276 498 K C 0.716 177.261 176.600 -0.091 0.000 0.904 498 K CA 0.754 57.023 56.287 -0.029 0.000 0.741 498 K CB -2.722 29.775 32.500 -0.005 0.000 1.542 498 K HN 0.497 nan 8.250 nan 0.000 0.446 499 I N -1.871 118.585 120.570 -0.188 0.000 3.850 499 I HA 0.298 4.469 4.170 0.002 0.000 0.333 499 I C 0.069 176.070 176.117 -0.194 0.000 1.511 499 I CA -0.326 60.799 61.300 -0.291 0.000 1.199 499 I CB -0.354 37.244 38.000 -0.671 0.000 1.217 499 I HN 0.515 nan 8.210 nan 0.000 0.423 500 N N 2.231 120.896 118.700 -0.058 0.000 2.501 500 N HA -0.229 4.512 4.740 0.002 0.000 0.291 500 N C -1.245 174.319 175.510 0.089 0.000 1.304 500 N CA 0.478 53.525 53.050 -0.004 0.000 0.686 500 N CB -0.467 37.997 38.487 -0.038 0.000 0.924 500 N HN 0.795 nan 8.380 nan 0.000 0.533 501 W N 2.838 124.098 121.300 -0.067 0.000 3.216 501 W HA 0.234 4.895 4.660 0.002 0.000 0.335 501 W C -1.226 175.336 176.519 0.073 0.000 1.077 501 W CA -0.367 56.980 57.345 0.003 0.000 1.252 501 W CB 1.629 31.103 29.460 0.023 0.000 1.312 501 W HN 0.083 nan 8.180 nan 0.000 0.446 502 T N 6.246 120.519 114.554 -0.468 0.000 2.780 502 T HA 0.162 4.514 4.350 0.002 0.000 0.294 502 T C -0.232 174.177 174.700 -0.485 0.000 0.949 502 T CA -0.080 61.827 62.100 -0.322 0.000 1.074 502 T CB 0.473 69.173 68.868 -0.280 0.000 0.910 502 T HN 0.266 nan 8.240 nan 0.000 0.501 503 F N 4.737 124.599 119.950 -0.147 0.000 2.563 503 F HA 0.371 4.899 4.527 0.002 0.000 0.363 503 F C -0.256 175.493 175.800 -0.086 0.000 1.123 503 F CA -0.425 57.611 58.000 0.060 0.000 1.307 503 F CB 0.199 39.276 39.000 0.129 0.000 1.115 503 F HN 0.420 nan 8.300 nan 0.000 0.592 504 I N 5.227 125.252 120.570 -0.908 0.000 2.433 504 I HA 0.158 4.330 4.170 0.002 0.000 0.292 504 I C -0.858 174.536 176.117 -1.206 0.000 1.001 504 I CA -0.940 59.826 61.300 -0.890 0.000 1.119 504 I CB 1.576 39.044 38.000 -0.887 0.000 1.289 504 I HN 0.470 nan 8.210 nan 0.000 0.438 505 D N 5.821 125.811 120.400 -0.683 0.000 2.365 505 D HA 0.148 4.789 4.640 0.002 0.000 0.237 505 D C 0.376 176.428 176.300 -0.415 0.000 1.190 505 D CA -0.036 53.764 54.000 -0.335 0.000 0.867 505 D CB 0.539 41.327 40.800 -0.021 0.000 1.050 505 D HN 0.278 nan 8.370 nan 0.000 0.491 506 F N 1.755 121.542 119.950 -0.272 0.000 2.802 506 F HA 0.169 4.697 4.527 0.003 0.000 0.300 506 F C 2.235 177.880 175.800 -0.258 0.000 1.168 506 F CA 0.471 58.259 58.000 -0.354 0.000 1.433 506 F CB -0.054 38.490 39.000 -0.761 0.000 1.115 506 F HN 0.630 nan 8.300 nan 0.000 0.582 507 G N 1.291 110.080 108.800 -0.018 0.000 2.249 507 G HA2 -0.313 3.649 3.960 0.002 0.000 0.273 507 G HA3 -0.313 3.649 3.960 0.002 0.000 0.273 507 G C -0.140 174.773 174.900 0.022 0.000 1.036 507 G CA 0.050 45.155 45.100 0.008 0.000 0.824 507 G HN 0.350 nan 8.290 nan 0.000 0.504 508 L N 0.429 121.660 121.223 0.015 0.000 2.345 508 L HA 0.632 4.973 4.340 0.002 0.000 0.274 508 L C -0.838 176.093 176.870 0.102 0.000 0.999 508 L CA -0.799 54.072 54.840 0.051 0.000 0.849 508 L CB 1.982 44.058 42.059 0.029 0.000 1.220 508 L HN 0.108 nan 8.230 nan 0.000 0.422 509 D N 0.902 121.369 120.400 0.112 0.000 2.591 509 D HA 0.162 4.804 4.640 0.002 0.000 0.222 509 D C -0.062 176.311 176.300 0.121 0.000 1.360 509 D CA -0.252 53.822 54.000 0.125 0.000 0.967 509 D CB 2.050 42.923 40.800 0.122 0.000 1.456 509 D HN 0.196 nan 8.370 nan 0.000 0.588 510 S N 2.194 117.971 115.700 0.129 0.000 2.631 510 S HA -0.072 4.399 4.470 0.002 0.000 0.217 510 S C 1.481 176.160 174.600 0.133 0.000 0.958 510 S CA 0.021 58.306 58.200 0.140 0.000 0.920 510 S CB 0.339 63.619 63.200 0.134 0.000 0.776 510 S HN 0.423 nan 8.310 nan 0.000 0.517 511 Q N 2.596 122.465 119.800 0.115 0.000 2.096 511 Q HA -0.014 4.327 4.340 0.002 0.000 0.204 511 Q C 2.104 178.154 176.000 0.084 0.000 0.982 511 Q CA 1.939 57.803 55.803 0.101 0.000 0.850 511 Q CB -0.650 28.141 28.738 0.088 0.000 0.901 511 Q HN 0.516 nan 8.270 nan 0.000 0.422 512 A N -0.896 121.970 122.820 0.076 0.000 1.883 512 A HA -0.209 4.113 4.320 0.002 0.000 0.217 512 A C 2.306 179.913 177.584 0.038 0.000 1.186 512 A CA 2.139 54.209 52.037 0.055 0.000 0.624 512 A CB -1.096 17.939 19.000 0.058 0.000 0.822 512 A HN 0.493 nan 8.150 nan 0.000 0.444 513 T N 0.185 114.776 114.554 0.062 0.000 2.777 513 T HA -0.065 4.287 4.350 0.002 0.000 0.266 513 T C 1.797 176.518 174.700 0.034 0.000 1.040 513 T CA 1.467 63.592 62.100 0.042 0.000 1.141 513 T CB -0.405 68.519 68.868 0.093 0.000 0.868 513 T HN 0.412 nan 8.240 nan 0.000 0.444 514 I N 1.427 122.060 120.570 0.106 0.000 2.208 514 I HA -0.190 3.981 4.170 0.002 0.000 0.245 514 I C 2.247 178.367 176.117 0.005 0.000 1.097 514 I CA 1.231 62.602 61.300 0.119 0.000 1.363 514 I CB -0.333 37.809 38.000 0.236 0.000 1.051 514 I HN 0.119 nan 8.210 nan 0.000 0.413 515 D N 0.468 120.877 120.400 0.016 0.000 2.144 515 D HA -0.153 4.488 4.640 0.002 0.000 0.200 515 D C 2.003 178.256 176.300 -0.078 0.000 0.978 515 D CA 0.966 54.964 54.000 -0.004 0.000 0.833 515 D CB -0.294 40.520 40.800 0.022 0.000 0.961 515 D HN 0.195 nan 8.370 nan 0.000 0.470 516 L N 0.594 121.738 121.223 -0.133 0.000 2.046 516 L HA -0.099 4.242 4.340 0.002 0.000 0.208 516 L C 1.966 178.627 176.870 -0.348 0.000 1.077 516 L CA 1.519 56.171 54.840 -0.314 0.000 0.747 516 L CB -0.405 41.482 42.059 -0.287 0.000 0.896 516 L HN -0.022 nan 8.230 nan 0.000 0.432 517 I N -0.932 119.476 120.570 -0.271 0.000 2.406 517 I HA -0.084 4.087 4.170 0.002 0.000 0.249 517 I C 1.172 177.117 176.117 -0.287 0.000 1.122 517 I CA 1.286 62.393 61.300 -0.321 0.000 1.431 517 I CB -0.054 37.631 38.000 -0.525 0.000 1.087 517 I HN 0.280 nan 8.210 nan 0.000 0.424 518 D N 0.278 120.533 120.400 -0.241 0.000 2.556 518 D HA 0.144 4.786 4.640 0.002 0.000 0.237 518 D C 0.669 176.973 176.300 0.006 0.000 1.296 518 D CA -0.051 53.890 54.000 -0.098 0.000 0.807 518 D CB 0.349 41.124 40.800 -0.040 0.000 1.084 518 D HN 0.095 nan 8.370 nan 0.000 0.510 519 G N 0.573 109.371 108.800 -0.005 0.000 2.562 519 G HA2 -0.015 3.946 3.960 0.002 0.000 0.233 519 G HA3 -0.015 3.946 3.960 0.002 0.000 0.233 519 G C 0.903 175.836 174.900 0.055 0.000 1.266 519 G CA -0.296 44.827 45.100 0.037 0.000 0.852 519 G HN 0.163 nan 8.290 nan 0.000 0.581 520 R N -0.323 120.211 120.500 0.057 0.000 2.112 520 R HA 0.106 4.448 4.340 0.002 0.000 0.216 520 R C 1.877 178.207 176.300 0.051 0.000 1.080 520 R CA 1.748 57.880 56.100 0.054 0.000 0.996 520 R CB 0.172 30.502 30.300 0.050 0.000 0.902 520 R HN 0.854 nan 8.270 nan 0.000 0.449 521 Q N -3.024 116.809 119.800 0.055 0.000 1.756 521 Q HA 0.056 4.398 4.340 0.002 0.000 0.136 521 Q C -2.071 173.960 176.000 0.051 0.000 0.680 521 Q CA -0.604 55.229 55.803 0.050 0.000 0.591 521 Q CB -0.909 27.857 28.738 0.048 0.000 1.010 521 Q HN 0.079 nan 8.270 nan 0.000 0.346 522 P HA 0.279 nan 4.420 nan 0.000 0.266 522 P C -2.577 174.796 177.300 0.121 0.000 1.195 522 P CA -0.560 62.596 63.100 0.093 0.000 0.768 522 P CB -0.067 31.699 31.700 0.110 0.000 0.838 523 P HA 0.162 nan 4.420 nan 0.000 0.276 523 P C 0.477 177.899 177.300 0.203 0.000 1.230 523 P CA 0.164 63.323 63.100 0.098 0.000 0.776 523 P CB 0.821 32.531 31.700 0.017 0.000 0.888 524 G N 1.916 110.803 108.800 0.146 0.000 2.510 524 G HA2 0.256 4.217 3.960 0.002 0.000 0.280 524 G HA3 0.256 4.217 3.960 0.002 0.000 0.280 524 G C 1.118 176.110 174.900 0.154 0.000 1.386 524 G CA -0.811 44.367 45.100 0.131 0.000 1.047 524 G HN 0.370 nan 8.290 nan 0.000 0.527 525 I N -0.365 120.205 120.570 -0.000 0.000 2.163 525 I HA -0.176 3.995 4.170 0.002 0.000 0.243 525 I C 2.671 178.838 176.117 0.084 0.000 1.085 525 I CA 1.024 62.355 61.300 0.052 0.000 1.347 525 I CB -0.219 37.758 38.000 -0.039 0.000 1.044 525 I HN 0.286 nan 8.210 nan 0.000 0.408 526 L N 0.359 121.621 121.223 0.065 0.000 2.093 526 L HA -0.173 4.168 4.340 0.002 0.000 0.208 526 L C 2.857 179.782 176.870 0.091 0.000 1.085 526 L CA 1.201 56.108 54.840 0.113 0.000 0.755 526 L CB -0.753 41.371 42.059 0.108 0.000 0.904 526 L HN 0.244 nan 8.230 nan 0.000 0.435 527 A N 0.191 123.049 122.820 0.063 0.000 1.933 527 A HA -0.151 4.170 4.320 0.002 0.000 0.218 527 A C 2.240 179.826 177.584 0.004 0.000 1.175 527 A CA 1.399 53.460 52.037 0.040 0.000 0.628 527 A CB -0.578 18.443 19.000 0.035 0.000 0.814 527 A HN 0.370 nan 8.150 nan 0.000 0.444 528 L N -1.127 120.082 121.223 -0.022 0.000 2.109 528 L HA -0.091 4.250 4.340 0.002 0.000 0.207 528 L C 2.495 179.348 176.870 -0.029 0.000 1.086 528 L CA 0.807 55.591 54.840 -0.093 0.000 0.760 528 L CB -0.481 41.454 42.059 -0.206 0.000 0.910 528 L HN 0.476 nan 8.230 nan 0.000 0.437 529 L N 0.134 121.379 121.223 0.036 0.000 2.012 529 L HA -0.250 4.091 4.340 0.002 0.000 0.210 529 L C 2.009 178.907 176.870 0.047 0.000 1.073 529 L CA 1.992 56.877 54.840 0.075 0.000 0.748 529 L CB -0.672 41.480 42.059 0.155 0.000 0.891 529 L HN 0.170 nan 8.230 nan 0.000 0.431 530 D N -0.411 120.017 120.400 0.046 0.000 2.123 530 D HA -0.239 4.402 4.640 0.002 0.000 0.196 530 D C 2.092 178.413 176.300 0.035 0.000 0.992 530 D CA 1.525 55.550 54.000 0.041 0.000 0.833 530 D CB -0.084 40.746 40.800 0.051 0.000 0.954 530 D HN 0.605 nan 8.370 nan 0.000 0.455 531 E N 0.283 120.493 120.200 0.017 0.000 2.058 531 E HA -0.210 4.141 4.350 0.002 0.000 0.194 531 E C 1.889 178.520 176.600 0.051 0.000 0.997 531 E CA 0.925 57.329 56.400 0.006 0.000 0.801 531 E CB 0.144 29.818 29.700 -0.045 0.000 0.746 531 E HN 0.205 nan 8.360 nan 0.000 0.450 532 Q N 0.081 119.917 119.800 0.060 0.000 2.170 532 Q HA -0.100 4.242 4.340 0.002 0.000 0.203 532 Q C 2.296 178.370 176.000 0.124 0.000 0.976 532 Q CA 1.247 57.129 55.803 0.131 0.000 0.858 532 Q CB -0.073 28.717 28.738 0.087 0.000 0.907 532 Q HN 0.199 nan 8.270 nan 0.000 0.433 533 S N 0.615 116.360 115.700 0.076 0.000 2.453 533 S HA -0.068 4.403 4.470 0.002 0.000 0.231 533 S C 1.899 176.540 174.600 0.068 0.000 1.005 533 S CA 1.057 59.290 58.200 0.054 0.000 0.949 533 S CB 0.043 63.259 63.200 0.028 0.000 0.774 533 S HN 0.419 nan 8.310 nan 0.000 0.510 534 V N -2.008 117.961 119.914 0.092 0.000 3.621 534 V HA 0.442 4.564 4.120 0.002 0.000 0.285 534 V C 0.149 176.341 176.094 0.164 0.000 1.346 534 V CA -0.457 61.901 62.300 0.097 0.000 1.104 534 V CB -0.758 31.107 31.823 0.071 0.000 0.913 534 V HN 0.287 nan 8.190 nan 0.000 0.432 535 F N 3.397 123.344 119.950 -0.006 0.000 2.413 535 F HA 0.585 5.113 4.527 0.002 0.000 0.359 535 F C -1.482 174.315 175.800 -0.005 0.000 1.122 535 F CA -3.295 54.700 58.000 -0.008 0.000 1.160 535 F CB 1.480 40.472 39.000 -0.013 0.000 1.146 535 F HN -0.009 nan 8.300 nan 0.000 0.514 536 P HA -0.170 nan 4.420 nan 0.000 0.217 536 P C 0.648 177.710 177.300 -0.396 0.000 1.148 536 P CA 1.443 64.429 63.100 -0.190 0.000 0.828 536 P CB 0.290 31.933 31.700 -0.095 0.000 0.783 537 N N -1.276 116.900 118.700 -0.874 0.000 2.322 537 N HA 0.140 4.881 4.740 0.002 0.000 0.194 537 N C 0.393 175.520 175.510 -0.639 0.000 1.126 537 N CA 0.001 52.599 53.050 -0.754 0.000 0.845 537 N CB -0.238 37.762 38.487 -0.813 0.000 0.976 537 N HN 0.057 nan 8.380 nan 0.000 0.475 538 A N 0.498 122.983 122.820 -0.559 0.000 2.386 538 A HA 0.498 4.820 4.320 0.002 0.000 0.248 538 A C 0.826 178.344 177.584 -0.109 0.000 1.082 538 A CA -0.026 51.889 52.037 -0.204 0.000 0.789 538 A CB 0.238 19.236 19.000 -0.003 0.000 1.025 538 A HN 0.266 nan 8.150 nan 0.000 0.490 539 T N -1.957 112.569 114.554 -0.048 0.000 2.838 539 T HA 0.450 4.802 4.350 0.002 0.000 0.292 539 T C 0.005 174.698 174.700 -0.011 0.000 1.113 539 T CA -0.431 61.650 62.100 -0.032 0.000 1.008 539 T CB 1.168 70.014 68.868 -0.035 0.000 1.259 539 T HN 0.404 nan 8.240 nan 0.000 0.520 540 D N 0.334 120.731 120.400 -0.005 0.000 2.178 540 D HA -0.108 4.533 4.640 0.002 0.000 0.201 540 D C 1.712 177.991 176.300 -0.036 0.000 0.980 540 D CA 1.273 55.268 54.000 -0.009 0.000 0.842 540 D CB -0.236 40.565 40.800 0.002 0.000 0.948 540 D HN 0.638 nan 8.370 nan 0.000 0.472 541 N N 0.229 118.914 118.700 -0.026 0.000 2.216 541 N HA -0.137 4.605 4.740 0.002 0.000 0.183 541 N C 1.732 177.226 175.510 -0.026 0.000 1.017 541 N CA 2.120 55.153 53.050 -0.028 0.000 0.861 541 N CB -0.131 38.348 38.487 -0.013 0.000 0.986 541 N HN 0.165 nan 8.380 nan 0.000 0.428 542 T N -1.308 113.240 114.554 -0.009 0.000 2.833 542 T HA -0.139 4.213 4.350 0.002 0.000 0.269 542 T C 1.896 176.590 174.700 -0.010 0.000 1.054 542 T CA 1.068 63.176 62.100 0.013 0.000 1.135 542 T CB -0.552 68.354 68.868 0.063 0.000 0.869 542 T HN 0.185 nan 8.240 nan 0.000 0.466 543 L N 0.741 121.949 121.223 -0.025 0.000 1.994 543 L HA 0.177 4.518 4.340 0.002 0.000 0.208 543 L C 2.357 179.140 176.870 -0.145 0.000 1.071 543 L CA 1.538 56.342 54.840 -0.059 0.000 0.745 543 L CB -1.020 41.018 42.059 -0.035 0.000 0.892 543 L HN 0.294 nan 8.230 nan 0.000 0.431 544 I N -0.753 119.710 120.570 -0.177 0.000 2.286 544 I HA -0.267 3.905 4.170 0.002 0.000 0.248 544 I C 2.190 178.078 176.117 -0.383 0.000 1.115 544 I CA 1.901 63.011 61.300 -0.316 0.000 1.392 544 I CB -0.474 37.366 38.000 -0.267 0.000 1.065 544 I HN 0.353 nan 8.210 nan 0.000 0.418 545 T N 0.345 114.794 114.554 -0.175 0.000 2.720 545 T HA -0.270 4.081 4.350 0.002 0.000 0.268 545 T C 1.911 176.567 174.700 -0.073 0.000 1.037 545 T CA 1.926 63.981 62.100 -0.076 0.000 1.144 545 T CB -0.270 68.591 68.868 -0.013 0.000 0.864 545 T HN 0.334 nan 8.240 nan 0.000 0.444 546 K N 0.844 121.187 120.400 -0.095 0.000 2.026 546 K HA -0.003 4.318 4.320 0.002 0.000 0.208 546 K C 2.187 178.677 176.600 -0.183 0.000 1.048 546 K CA 1.080 57.307 56.287 -0.100 0.000 0.929 546 K CB -0.399 32.030 32.500 -0.118 0.000 0.713 546 K HN 0.264 nan 8.250 nan 0.000 0.439 547 L N 0.268 121.347 121.223 -0.241 0.000 1.989 547 L HA -0.258 4.083 4.340 0.002 0.000 0.211 547 L C 2.612 179.374 176.870 -0.180 0.000 1.071 547 L CA 1.449 56.139 54.840 -0.249 0.000 0.749 547 L CB -0.952 40.960 42.059 -0.244 0.000 0.890 547 L HN 0.377 nan 8.230 nan 0.000 0.431 548 H N -0.994 118.064 119.070 -0.020 0.000 2.352 548 H HA -0.156 4.401 4.556 0.002 0.000 0.299 548 H C 2.625 177.887 175.328 -0.109 0.000 1.097 548 H CA 1.567 57.633 56.048 0.031 0.000 1.311 548 H CB -0.479 29.342 29.762 0.099 0.000 1.377 548 H HN 0.249 nan 8.280 nan 0.000 0.504 549 S N -0.277 115.421 115.700 -0.002 0.000 2.368 549 S HA -0.173 4.298 4.470 0.002 0.000 0.225 549 S C 1.958 176.415 174.600 -0.238 0.000 1.030 549 S CA 1.041 59.191 58.200 -0.082 0.000 0.999 549 S CB -0.216 62.953 63.200 -0.052 0.000 0.844 549 S HN 0.576 nan 8.310 nan 0.000 0.459 550 H N -1.656 117.090 119.070 -0.540 0.000 2.462 550 H HA 0.028 4.585 4.556 0.002 0.000 0.292 550 H C 0.909 175.707 175.328 -0.883 0.000 1.049 550 H CA 1.443 56.983 56.048 -0.846 0.000 1.334 550 H CB 0.105 29.027 29.762 -1.399 0.000 1.404 550 H HN 0.510 nan 8.280 nan 0.000 0.544 551 F N -0.788 118.984 119.950 -0.296 0.000 2.778 551 F HA 0.159 4.687 4.527 0.002 0.000 0.314 551 F C 1.192 176.813 175.800 -0.299 0.000 1.073 551 F CA -0.340 57.370 58.000 -0.483 0.000 1.218 551 F CB 0.084 38.398 39.000 -1.144 0.000 1.037 551 F HN -0.228 nan 8.300 nan 0.000 0.594 552 S N 1.665 117.350 115.700 -0.025 0.000 2.510 552 S HA 0.201 4.672 4.470 0.002 0.000 0.279 552 S C 0.755 175.415 174.600 0.101 0.000 1.284 552 S CA -0.159 58.153 58.200 0.187 0.000 1.059 552 S CB -0.150 63.140 63.200 0.150 0.000 0.901 552 S HN 0.419 nan 8.310 nan 0.000 0.491 553 K N 2.222 122.699 120.400 0.128 0.000 3.209 553 K HA -0.219 4.102 4.320 0.002 0.000 0.289 553 K C 0.495 177.134 176.600 0.065 0.000 1.191 553 K CA 1.495 57.829 56.287 0.078 0.000 0.851 553 K CB -1.340 31.184 32.500 0.041 0.000 1.242 553 K HN 0.647 nan 8.250 nan 0.000 0.480 554 K N -0.484 119.967 120.400 0.086 0.000 2.585 554 K HA 0.093 4.414 4.320 0.002 0.000 0.198 554 K C 0.265 176.926 176.600 0.102 0.000 1.403 554 K CA -0.288 56.039 56.287 0.067 0.000 1.021 554 K CB 0.354 32.872 32.500 0.029 0.000 1.558 554 K HN 0.087 nan 8.250 nan 0.000 0.524 555 N N 0.874 119.666 118.700 0.152 0.000 2.426 555 N HA 0.178 4.919 4.740 0.002 0.000 0.275 555 N C 0.100 175.697 175.510 0.145 0.000 1.019 555 N CA 0.118 53.254 53.050 0.143 0.000 0.941 555 N CB 1.861 40.429 38.487 0.135 0.000 1.123 555 N HN 0.172 nan 8.380 nan 0.000 0.486 556 A N 3.972 126.854 122.820 0.103 0.000 2.168 556 A HA -0.028 4.293 4.320 0.002 0.000 0.215 556 A C 1.396 179.039 177.584 0.098 0.000 1.152 556 A CA 1.024 53.117 52.037 0.094 0.000 0.716 556 A CB 0.036 19.078 19.000 0.070 0.000 0.794 556 A HN 0.586 nan 8.150 nan 0.000 0.465 557 K N -1.512 118.948 120.400 0.099 0.000 2.387 557 K HA 0.179 4.500 4.320 0.002 0.000 0.198 557 K C -0.721 175.959 176.600 0.133 0.000 1.022 557 K CA -0.034 56.303 56.287 0.085 0.000 1.128 557 K CB -0.093 32.432 32.500 0.042 0.000 0.853 557 K HN 0.582 nan 8.250 nan 0.000 0.523 558 Y N 0.996 121.322 120.300 0.044 0.000 2.468 558 Y HA 0.337 4.889 4.550 0.002 0.000 0.342 558 Y C -0.913 175.062 175.900 0.125 0.000 1.021 558 Y CA -1.058 57.100 58.100 0.098 0.000 1.079 558 Y CB 1.630 40.154 38.460 0.107 0.000 1.226 558 Y HN -0.042 nan 8.280 nan 0.000 0.460 559 E N 4.429 124.471 120.200 -0.264 0.000 2.263 559 E HA 0.184 4.535 4.350 0.002 0.000 0.268 559 E C -1.707 174.733 176.600 -0.267 0.000 0.884 559 E CA -0.771 55.568 56.400 -0.102 0.000 0.766 559 E CB 1.349 31.020 29.700 -0.048 0.000 1.196 559 E HN 0.761 nan 8.360 nan 0.000 0.416 560 E N 6.306 126.466 120.200 -0.067 0.000 2.105 560 E HA 0.255 4.607 4.350 0.002 0.000 0.285 560 E C -2.079 174.379 176.600 -0.237 0.000 1.055 560 E CA -1.994 54.269 56.400 -0.230 0.000 0.843 560 E CB 0.762 30.229 29.700 -0.388 0.000 1.067 560 E HN 0.282 nan 8.360 nan 0.000 0.398 561 P HA 0.146 nan 4.420 nan 0.000 0.277 561 P C -0.289 176.778 177.300 -0.389 0.000 1.240 561 P CA -0.296 62.561 63.100 -0.404 0.000 0.798 561 P CB 1.102 32.215 31.700 -0.979 0.000 0.979 562 R N 0.763 121.127 120.500 -0.226 0.000 2.276 562 R HA 0.086 4.427 4.340 0.002 0.000 0.196 562 R C 1.365 177.614 176.300 -0.085 0.000 0.961 562 R CA 0.853 56.885 56.100 -0.114 0.000 1.024 562 R CB -0.394 29.906 30.300 0.001 0.000 0.940 562 R HN 0.547 nan 8.270 nan 0.000 0.480 563 F N -1.854 118.092 119.950 -0.007 0.000 2.727 563 F HA 0.397 4.925 4.527 0.002 0.000 0.302 563 F C 0.259 176.062 175.800 0.004 0.000 1.097 563 F CA -0.716 57.282 58.000 -0.003 0.000 1.330 563 F CB 0.410 39.405 39.000 -0.008 0.000 1.084 563 F HN -0.270 nan 8.300 nan 0.000 0.578 564 S N -0.004 115.464 115.700 -0.387 0.000 2.537 564 S HA 0.391 4.862 4.470 0.002 0.000 0.270 564 S C -0.180 174.333 174.600 -0.145 0.000 1.142 564 S CA -0.799 57.285 58.200 -0.195 0.000 0.870 564 S CB 1.614 64.703 63.200 -0.185 0.000 1.112 564 S HN 0.260 nan 8.310 nan 0.000 0.466 565 K N 1.304 121.684 120.400 -0.032 0.000 2.358 565 K HA 0.140 4.461 4.320 0.002 0.000 0.197 565 K C 0.760 177.389 176.600 0.049 0.000 1.025 565 K CA 0.637 56.939 56.287 0.025 0.000 1.104 565 K CB 0.420 32.935 32.500 0.026 0.000 0.855 565 K HN 0.724 nan 8.250 nan 0.000 0.531 566 T N -2.205 112.359 114.554 0.016 0.000 3.200 566 T HA 0.274 4.625 4.350 0.002 0.000 0.284 566 T C -0.084 174.614 174.700 -0.004 0.000 1.009 566 T CA -0.532 61.570 62.100 0.002 0.000 0.907 566 T CB 0.210 69.076 68.868 -0.003 0.000 1.120 566 T HN -0.088 nan 8.240 nan 0.000 0.534 567 E N 0.885 121.097 120.200 0.020 0.000 2.343 567 E HA 0.664 5.015 4.350 0.002 0.000 0.270 567 E C -1.480 175.185 176.600 0.108 0.000 0.895 567 E CA -1.222 55.171 56.400 -0.011 0.000 0.767 567 E CB 2.270 31.929 29.700 -0.069 0.000 1.248 567 E HN 0.422 nan 8.360 nan 0.000 0.440 568 F N -1.466 118.464 119.950 -0.034 0.000 2.613 568 F HA 0.812 5.340 4.527 0.002 0.000 0.314 568 F C -0.248 175.488 175.800 -0.107 0.000 1.075 568 F CA -1.061 56.871 58.000 -0.114 0.000 0.945 568 F CB 1.217 40.142 39.000 -0.125 0.000 1.310 568 F HN 0.399 nan 8.300 nan 0.000 0.467 569 G N 1.027 109.731 108.800 -0.160 0.000 2.379 569 G HA2 0.600 4.561 3.960 0.002 0.000 0.327 569 G HA3 0.600 4.561 3.960 0.002 0.000 0.327 569 G C -1.940 172.965 174.900 0.008 0.000 1.145 569 G CA -1.027 44.012 45.100 -0.101 0.000 0.905 569 G HN 0.681 nan 8.290 nan 0.000 0.466 570 V N 1.381 121.367 119.914 0.120 0.000 2.448 570 V HA 0.376 4.497 4.120 0.002 0.000 0.295 570 V C 0.193 176.272 176.094 -0.025 0.000 1.025 570 V CA -0.657 61.684 62.300 0.069 0.000 0.859 570 V CB 1.989 33.861 31.823 0.082 0.000 0.988 570 V HN 0.754 nan 8.190 nan 0.000 0.431 571 T N 5.117 119.651 114.554 -0.033 0.000 2.863 571 T HA 0.299 4.650 4.350 0.002 0.000 0.299 571 T C 0.073 174.764 174.700 -0.014 0.000 0.973 571 T CA -0.101 62.004 62.100 0.008 0.000 0.994 571 T CB -0.644 68.245 68.868 0.035 0.000 0.961 571 T HN 0.533 nan 8.240 nan 0.000 0.552 572 H N 1.969 121.145 119.070 0.177 0.000 2.544 572 H HA 0.068 4.625 4.556 0.002 0.000 0.365 572 H C 1.321 176.700 175.328 0.086 0.000 1.268 572 H CA -0.455 55.727 56.048 0.224 0.000 1.400 572 H CB 0.620 30.600 29.762 0.365 0.000 1.538 572 H HN 0.709 nan 8.280 nan 0.000 0.597 573 Y N -0.003 120.383 120.300 0.142 0.000 2.193 573 Y HA -0.142 4.410 4.550 0.002 0.000 0.285 573 Y C 1.900 177.722 175.900 -0.130 0.000 1.166 573 Y CA 1.202 59.305 58.100 0.004 0.000 1.181 573 Y CB -0.749 37.712 38.460 0.002 0.000 0.976 573 Y HN 0.460 nan 8.280 nan 0.000 0.520 574 A N 0.401 122.414 122.820 -1.345 0.000 2.251 574 A HA 0.584 4.905 4.320 0.002 0.000 0.209 574 A C 1.185 178.378 177.584 -0.651 0.000 1.187 574 A CA 0.608 51.859 52.037 -1.310 0.000 0.823 574 A CB -0.993 16.575 19.000 -2.386 0.000 0.846 574 A HN 1.063 nan 8.150 nan 0.000 0.486 575 G N -1.394 107.233 108.800 -0.288 0.000 2.339 575 G HA2 0.197 4.159 3.960 0.002 0.000 0.381 575 G HA3 0.197 4.159 3.960 0.002 0.000 0.381 575 G C -0.841 174.121 174.900 0.103 0.000 1.400 575 G CA -0.476 44.587 45.100 -0.061 0.000 1.002 575 G HN 0.398 nan 8.290 nan 0.000 0.633 576 Q N -0.795 119.046 119.800 0.070 0.000 2.340 576 Q HA 0.595 4.937 4.340 0.002 0.000 0.249 576 Q C -0.456 175.593 176.000 0.081 0.000 0.957 576 Q CA -0.467 55.389 55.803 0.087 0.000 0.882 576 Q CB 1.301 30.059 28.738 0.033 0.000 1.235 576 Q HN 0.607 nan 8.270 nan 0.000 0.439 577 V N 4.433 124.386 119.914 0.065 0.000 2.656 577 V HA 0.399 4.521 4.120 0.002 0.000 0.307 577 V C -0.358 175.505 176.094 -0.384 0.000 1.051 577 V CA -0.876 61.300 62.300 -0.207 0.000 0.893 577 V CB 1.937 33.567 31.823 -0.321 0.000 0.999 577 V HN 0.859 nan 8.190 nan 0.000 0.426 578 M N 4.048 123.404 119.600 -0.407 0.000 2.238 578 M HA 0.518 4.999 4.480 0.002 0.000 0.350 578 M C -1.287 174.657 176.300 -0.594 0.000 1.138 578 M CA -0.361 54.718 55.300 -0.368 0.000 1.040 578 M CB 1.246 33.799 32.600 -0.079 0.000 1.639 578 M HN 0.581 nan 8.290 nan 0.000 0.451 579 Y N 0.986 121.027 120.300 -0.433 0.000 2.352 579 Y HA 0.351 4.903 4.550 0.002 0.000 0.339 579 Y C 0.334 176.012 175.900 -0.370 0.000 0.992 579 Y CA -0.899 56.951 58.100 -0.416 0.000 1.100 579 Y CB 1.204 39.194 38.460 -0.784 0.000 1.192 579 Y HN 0.506 nan 8.280 nan 0.000 0.458 580 E N 2.524 122.746 120.200 0.035 0.000 2.227 580 E HA 0.199 4.550 4.350 0.002 0.000 0.282 580 E C -0.114 176.439 176.600 -0.077 0.000 1.015 580 E CA -0.137 56.266 56.400 0.006 0.000 0.823 580 E CB 1.039 30.792 29.700 0.088 0.000 1.081 580 E HN 0.649 nan 8.360 nan 0.000 0.396 581 I N 3.181 123.588 120.570 -0.272 0.000 3.428 581 I HA 0.026 4.198 4.170 0.002 0.000 0.286 581 I C 0.781 176.778 176.117 -0.200 0.000 1.287 581 I CA 0.438 61.357 61.300 -0.635 0.000 1.396 581 I CB -0.326 37.453 38.000 -0.368 0.000 1.062 581 I HN 0.642 nan 8.210 nan 0.000 0.471 582 Q N 1.120 120.929 119.800 0.014 0.000 2.286 582 Q HA -0.091 4.251 4.340 0.002 0.000 0.290 582 Q C 0.063 176.194 176.000 0.219 0.000 1.049 582 Q CA 0.870 56.726 55.803 0.088 0.000 0.923 582 Q CB 0.226 29.002 28.738 0.063 0.000 1.183 582 Q HN 0.357 nan 8.270 nan 0.000 0.383 583 D N 2.436 122.935 120.400 0.164 0.000 3.028 583 D HA -0.220 4.421 4.640 0.002 0.000 0.207 583 D C -0.138 176.297 176.300 0.225 0.000 1.100 583 D CA 0.951 55.042 54.000 0.151 0.000 0.995 583 D CB -1.212 39.650 40.800 0.104 0.000 1.108 583 D HN 0.687 nan 8.370 nan 0.000 0.421 584 W N 1.091 122.376 121.300 -0.024 0.000 2.363 584 W HA 0.051 4.713 4.660 0.003 0.000 0.296 584 W C 2.521 178.936 176.519 -0.173 0.000 1.212 584 W CA 0.796 58.085 57.345 -0.094 0.000 1.260 584 W CB -0.904 28.538 29.460 -0.030 0.000 1.131 584 W HN 0.193 nan 8.180 nan 0.000 0.530 585 L N -0.341 120.951 121.223 0.115 0.000 2.056 585 L HA -0.175 4.166 4.340 0.002 0.000 0.207 585 L C 2.488 179.342 176.870 -0.026 0.000 1.078 585 L CA 1.179 56.032 54.840 0.021 0.000 0.749 585 L CB -0.798 41.279 42.059 0.030 0.000 0.901 585 L HN -0.118 nan 8.230 nan 0.000 0.433 586 E N 0.527 120.723 120.200 -0.007 0.000 2.106 586 E HA -0.184 4.167 4.350 0.002 0.000 0.192 586 E C 2.138 178.704 176.600 -0.057 0.000 0.984 586 E CA 1.027 57.414 56.400 -0.021 0.000 0.806 586 E CB -0.056 29.642 29.700 -0.002 0.000 0.750 586 E HN 0.452 nan 8.360 nan 0.000 0.458 587 K N 0.667 121.009 120.400 -0.096 0.000 2.097 587 K HA -0.129 4.193 4.320 0.002 0.000 0.206 587 K C 2.004 178.447 176.600 -0.262 0.000 1.049 587 K CA 1.136 57.328 56.287 -0.158 0.000 0.933 587 K CB -0.092 32.274 32.500 -0.223 0.000 0.717 587 K HN -0.046 nan 8.250 nan 0.000 0.442 588 N N 1.235 119.701 118.700 -0.390 0.000 2.216 588 N HA -0.101 4.640 4.740 0.002 0.000 0.183 588 N C 1.216 176.649 175.510 -0.129 0.000 1.017 588 N CA 1.342 54.167 53.050 -0.375 0.000 0.861 588 N CB 0.194 38.452 38.487 -0.382 0.000 0.986 588 N HN 0.067 nan 8.380 nan 0.000 0.428 589 K N -0.222 120.132 120.400 -0.076 0.000 2.155 589 K HA -0.061 4.260 4.320 0.002 0.000 0.203 589 K C -0.039 176.559 176.600 -0.003 0.000 1.052 589 K CA 0.749 57.032 56.287 -0.007 0.000 0.948 589 K CB 0.005 32.510 32.500 0.009 0.000 0.728 589 K HN 0.091 nan 8.250 nan 0.000 0.448 590 D N 0.564 120.948 120.400 -0.027 0.000 2.697 590 D HA -0.096 4.546 4.640 0.002 0.000 0.238 590 D C -2.455 173.824 176.300 -0.035 0.000 1.152 590 D CA 0.070 54.056 54.000 -0.024 0.000 0.666 590 D CB -0.294 40.497 40.800 -0.014 0.000 1.037 590 D HN 0.140 nan 8.370 nan 0.000 0.423 591 P HA 0.396 nan 4.420 nan 0.000 0.274 591 P C -0.585 176.692 177.300 -0.038 0.000 1.231 591 P CA -0.609 62.477 63.100 -0.023 0.000 0.790 591 P CB 1.101 32.804 31.700 0.006 0.000 0.951 592 L N 1.605 122.796 121.223 -0.053 0.000 2.516 592 L HA 0.259 4.600 4.340 0.002 0.000 0.267 592 L C -0.497 176.366 176.870 -0.012 0.000 0.957 592 L CA -0.507 54.312 54.840 -0.034 0.000 0.860 592 L CB 1.856 43.881 42.059 -0.057 0.000 1.265 592 L HN 0.212 nan 8.230 nan 0.000 0.403 593 Q N 3.530 123.336 119.800 0.011 0.000 2.286 593 Q HA 0.041 4.382 4.340 0.002 0.000 0.290 593 Q C 0.542 176.564 176.000 0.038 0.000 1.049 593 Q CA 0.401 56.220 55.803 0.027 0.000 0.923 593 Q CB 1.036 29.790 28.738 0.026 0.000 1.183 593 Q HN 0.746 nan 8.270 nan 0.000 0.383 594 Q N 1.557 121.386 119.800 0.048 0.000 2.170 594 Q HA -0.178 4.163 4.340 0.002 0.000 0.203 594 Q C 0.677 176.710 176.000 0.055 0.000 0.976 594 Q CA 1.102 56.941 55.803 0.060 0.000 0.858 594 Q CB 0.269 29.051 28.738 0.073 0.000 0.907 594 Q HN 0.546 nan 8.270 nan 0.000 0.433 595 D N 0.534 120.961 120.400 0.045 0.000 2.219 595 D HA -0.090 4.551 4.640 0.002 0.000 0.205 595 D C 1.787 178.115 176.300 0.046 0.000 0.970 595 D CA 0.744 54.767 54.000 0.037 0.000 0.851 595 D CB 0.002 40.819 40.800 0.028 0.000 0.943 595 D HN 0.219 nan 8.370 nan 0.000 0.488 596 L N 0.522 121.780 121.223 0.059 0.000 2.056 596 L HA -0.110 4.231 4.340 0.002 0.000 0.207 596 L C 2.284 179.200 176.870 0.076 0.000 1.078 596 L CA 1.022 55.912 54.840 0.084 0.000 0.749 596 L CB -0.289 41.805 42.059 0.058 0.000 0.901 596 L HN -0.020 nan 8.230 nan 0.000 0.433 597 E N 0.256 120.510 120.200 0.090 0.000 2.077 597 E HA -0.216 4.135 4.350 0.002 0.000 0.193 597 E C 2.350 178.980 176.600 0.049 0.000 0.989 597 E CA 1.081 57.565 56.400 0.140 0.000 0.800 597 E CB -0.141 29.679 29.700 0.200 0.000 0.746 597 E HN 0.440 nan 8.360 nan 0.000 0.452 598 L N 0.529 121.777 121.223 0.042 0.000 2.083 598 L HA -0.217 4.124 4.340 0.002 0.000 0.209 598 L C 2.804 179.650 176.870 -0.041 0.000 1.083 598 L CA 0.713 55.560 54.840 0.012 0.000 0.752 598 L CB -0.472 41.596 42.059 0.015 0.000 0.899 598 L HN 0.380 nan 8.230 nan 0.000 0.433 599 C N 0.020 119.293 119.300 -0.044 0.000 2.413 599 C HA -0.215 4.246 4.460 0.002 0.000 0.276 599 C C 2.649 177.459 174.990 -0.299 0.000 1.236 599 C CA 0.715 59.656 59.018 -0.129 0.000 1.735 599 C CB -0.862 26.836 27.740 -0.070 0.000 2.031 599 C HN 0.464 nan 8.230 nan 0.000 0.474 600 F N 1.088 120.722 119.950 -0.527 0.000 2.456 600 F HA 0.142 4.670 4.527 0.002 0.000 0.298 600 F C 2.359 177.824 175.800 -0.558 0.000 1.104 600 F CA 1.079 58.597 58.000 -0.803 0.000 1.435 600 F CB -0.440 37.439 39.000 -1.867 0.000 1.078 600 F HN 0.218 nan 8.300 nan 0.000 0.546 601 K N -0.107 120.183 120.400 -0.183 0.000 2.280 601 K HA -0.155 4.167 4.320 0.002 0.000 0.202 601 K C 0.651 177.223 176.600 -0.046 0.000 1.047 601 K CA 1.271 57.551 56.287 -0.013 0.000 0.942 601 K CB -0.143 32.381 32.500 0.040 0.000 0.739 601 K HN 0.101 nan 8.250 nan 0.000 0.457 602 D N 0.386 120.721 120.400 -0.108 0.000 2.325 602 D HA -0.011 4.631 4.640 0.002 0.000 0.225 602 D C 0.041 176.270 176.300 -0.119 0.000 1.096 602 D CA 0.226 54.169 54.000 -0.096 0.000 0.844 602 D CB 0.195 40.933 40.800 -0.103 0.000 0.925 602 D HN -0.050 nan 8.370 nan 0.000 0.513 603 S N 0.017 115.631 115.700 -0.142 0.000 2.560 603 S HA 0.026 4.498 4.470 0.002 0.000 0.284 603 S C 1.544 176.110 174.600 -0.057 0.000 1.327 603 S CA -0.213 57.910 58.200 -0.130 0.000 1.055 603 S CB 0.726 63.875 63.200 -0.086 0.000 0.868 603 S HN 0.204 nan 8.310 nan 0.000 0.506 604 S N 2.532 118.205 115.700 -0.044 0.000 2.607 604 S HA 0.033 4.504 4.470 0.002 0.000 0.224 604 S C 0.396 174.994 174.600 -0.003 0.000 0.969 604 S CA -0.059 58.129 58.200 -0.020 0.000 0.927 604 S CB -0.242 62.948 63.200 -0.017 0.000 0.772 604 S HN 0.816 nan 8.310 nan 0.000 0.533 605 D N 1.129 121.534 120.400 0.008 0.000 2.210 605 D HA 0.214 4.856 4.640 0.002 0.000 0.249 605 D C 0.229 176.526 176.300 -0.005 0.000 1.078 605 D CA -0.290 53.720 54.000 0.015 0.000 0.875 605 D CB 0.799 41.630 40.800 0.051 0.000 1.175 605 D HN 0.209 nan 8.370 nan 0.000 0.440 606 N N 1.678 120.365 118.700 -0.021 0.000 2.331 606 N HA -0.082 4.659 4.740 0.002 0.000 0.180 606 N C 1.659 177.108 175.510 -0.101 0.000 1.019 606 N CA 0.289 53.319 53.050 -0.034 0.000 0.881 606 N CB 0.608 39.087 38.487 -0.014 0.000 0.972 606 N HN 0.218 nan 8.380 nan 0.000 0.435 607 V N 0.419 120.226 119.914 -0.178 0.000 2.379 607 V HA -0.112 4.009 4.120 0.002 0.000 0.243 607 V C 2.253 178.166 176.094 -0.303 0.000 1.035 607 V CA 0.920 62.960 62.300 -0.433 0.000 1.035 607 V CB -0.218 31.231 31.823 -0.623 0.000 0.673 607 V HN 0.058 nan 8.190 nan 0.000 0.457 608 V N 0.257 120.119 119.914 -0.087 0.000 2.282 608 V HA -0.325 3.797 4.120 0.002 0.000 0.249 608 V C 2.614 178.804 176.094 0.160 0.000 1.057 608 V CA 2.774 65.136 62.300 0.103 0.000 1.032 608 V CB -1.205 30.748 31.823 0.216 0.000 0.645 608 V HN 0.604 nan 8.190 nan 0.000 0.447 609 T N -0.254 114.339 114.554 0.066 0.000 2.759 609 T HA -0.209 4.143 4.350 0.002 0.000 0.269 609 T C 2.087 176.828 174.700 0.067 0.000 1.042 609 T CA 1.844 63.990 62.100 0.078 0.000 1.140 609 T CB -0.246 68.637 68.868 0.026 0.000 0.864 609 T HN 0.529 nan 8.240 nan 0.000 0.455 610 K N 1.073 121.453 120.400 -0.034 0.000 2.155 610 K HA 0.213 4.534 4.320 0.002 0.000 0.203 610 K C 2.372 178.924 176.600 -0.080 0.000 1.052 610 K CA 0.405 56.656 56.287 -0.060 0.000 0.948 610 K CB -0.819 31.605 32.500 -0.126 0.000 0.728 610 K HN 0.489 nan 8.250 nan 0.000 0.448 611 L N -1.052 120.092 121.223 -0.132 0.000 2.201 611 L HA 0.034 4.375 4.340 0.002 0.000 0.212 611 L C 1.927 178.573 176.870 -0.373 0.000 1.105 611 L CA 1.400 56.088 54.840 -0.253 0.000 0.775 611 L CB -0.368 41.509 42.059 -0.303 0.000 0.913 611 L HN 0.195 nan 8.230 nan 0.000 0.440 612 F N -0.809 119.110 119.950 -0.050 0.000 2.717 612 F HA 0.070 4.599 4.527 0.002 0.000 0.295 612 F C 1.800 177.594 175.800 -0.011 0.000 1.117 612 F CA 0.340 58.325 58.000 -0.024 0.000 1.361 612 F CB -0.034 38.974 39.000 0.014 0.000 1.112 612 F HN 0.038 nan 8.300 nan 0.000 0.594 613 N N -1.316 117.458 118.700 0.122 0.000 2.407 613 N HA -0.039 4.702 4.740 0.002 0.000 0.182 613 N C -0.086 175.448 175.510 0.039 0.000 1.079 613 N CA -0.014 53.084 53.050 0.079 0.000 0.882 613 N CB 0.324 38.854 38.487 0.073 0.000 1.106 613 N HN -0.082 nan 8.380 nan 0.000 0.461 614 D N 1.883 122.295 120.400 0.020 0.000 2.339 614 D HA 0.057 4.699 4.640 0.002 0.000 0.256 614 D C -1.620 174.682 176.300 0.004 0.000 1.214 614 D CA -2.181 51.830 54.000 0.017 0.000 0.877 614 D CB 1.247 42.066 40.800 0.031 0.000 1.111 614 D HN 0.070 nan 8.370 nan 0.000 0.478 615 P HA -0.101 nan 4.420 nan 0.000 0.219 615 P C 0.803 178.103 177.300 0.001 0.000 1.150 615 P CA 0.620 63.725 63.100 0.009 0.000 0.814 615 P CB 0.369 32.080 31.700 0.019 0.000 0.787 616 N N -0.216 118.485 118.700 0.002 0.000 2.364 616 N HA -0.049 4.692 4.740 0.002 0.000 0.183 616 N C 1.807 177.309 175.510 -0.013 0.000 1.022 616 N CA 0.965 54.013 53.050 -0.003 0.000 0.883 616 N CB -0.259 38.225 38.487 -0.005 0.000 0.965 616 N HN 0.310 nan 8.380 nan 0.000 0.438 617 I N -0.429 120.130 120.570 -0.019 0.000 2.927 617 I HA 0.067 4.239 4.170 0.002 0.000 0.268 617 I C 1.723 177.780 176.117 -0.100 0.000 1.153 617 I CA 0.338 61.609 61.300 -0.047 0.000 1.459 617 I CB 0.122 38.100 38.000 -0.037 0.000 1.149 617 I HN -0.047 nan 8.210 nan 0.000 0.443 618 A N -0.622 122.137 122.820 -0.102 0.000 2.343 618 A HA 0.230 4.551 4.320 0.002 0.000 0.223 618 A C 1.106 178.635 177.584 -0.092 0.000 1.214 618 A CA 0.046 51.992 52.037 -0.152 0.000 0.900 618 A CB 0.132 19.043 19.000 -0.148 0.000 0.942 618 A HN 0.223 nan 8.150 nan 0.000 0.507 619 S N -0.085 115.589 115.700 -0.042 0.000 2.585 619 S HA 0.607 5.078 4.470 0.002 0.000 0.277 619 S C -0.089 174.510 174.600 -0.001 0.000 1.241 619 S CA -0.580 57.618 58.200 -0.003 0.000 1.041 619 S CB 0.763 63.982 63.200 0.031 0.000 0.987 619 S HN 0.511 nan 8.310 nan 0.000 0.512 620 R N 1.783 122.305 120.500 0.036 0.000 2.561 620 R HA 0.649 4.991 4.340 0.002 0.000 0.297 620 R C -0.436 176.001 176.300 0.229 0.000 0.969 620 R CA -0.627 55.516 56.100 0.072 0.000 0.879 620 R CB 1.374 31.621 30.300 -0.088 0.000 1.178 620 R HN 0.746 nan 8.270 nan 0.000 0.445 621 A N 2.209 125.133 122.820 0.174 0.000 2.425 621 A HA 0.253 4.575 4.320 0.002 0.000 0.242 621 A C -0.398 177.308 177.584 0.204 0.000 1.077 621 A CA -0.299 51.832 52.037 0.158 0.000 0.781 621 A CB 0.496 19.557 19.000 0.102 0.000 1.020 621 A HN 0.541 nan 8.150 nan 0.000 0.494 622 K N 0.199 120.657 120.400 0.097 0.000 2.118 622 K HA 0.732 5.054 4.320 0.002 0.000 0.254 622 K C 0.058 176.666 176.600 0.014 0.000 0.961 622 K CA -0.157 56.134 56.287 0.007 0.000 0.876 622 K CB 1.607 34.040 32.500 -0.112 0.000 1.077 622 K HN 1.127 nan 8.250 nan 0.000 0.440 623 K N 0.469 120.869 120.400 -0.000 0.000 2.535 623 K HA 0.629 4.950 4.320 0.002 0.000 0.253 623 K C 0.714 177.304 176.600 -0.017 0.000 0.953 623 K CA -0.258 56.033 56.287 0.006 0.000 0.863 623 K CB 0.628 nan 32.500 nan 0.000 1.111 623 K HN 1.329 nan 8.250 nan 0.000 0.431 624 G N 1.147 109.934 108.800 -0.022 0.000 2.611 624 G HA2 0.017 3.978 3.960 0.002 0.000 0.301 624 G HA3 0.017 3.978 3.960 0.002 0.000 0.301 624 G C 1.223 176.085 174.900 -0.063 0.000 1.233 624 G CA 1.044 46.125 45.100 -0.031 0.000 0.993 624 G HN 2.087 nan 8.290 nan 0.000 0.553 625 A N 0.462 123.243 122.820 -0.065 0.000 2.462 625 A HA 0.507 4.829 4.320 0.002 0.000 0.261 625 A C 0.677 178.175 177.584 -0.143 0.000 1.323 625 A CA 0.529 52.505 52.037 -0.101 0.000 0.913 625 A CB -0.274 nan 19.000 nan 0.000 1.028 625 A HN 0.548 nan 8.150 nan 0.000 0.511 626 N N -0.716 117.904 118.700 -0.133 0.000 2.240 626 N HA 0.457 5.198 4.740 0.002 0.000 0.302 626 N C -1.249 174.182 175.510 -0.131 0.000 1.106 626 N CA -0.409 52.573 53.050 -0.113 0.000 0.778 626 N CB 1.121 39.604 38.487 -0.007 0.000 1.431 626 N HN 0.079 nan 8.380 nan 0.000 0.479 627 F N 1.067 121.029 119.950 0.020 0.000 2.553 627 F HA 0.162 4.691 4.527 0.002 0.000 0.356 627 F C 1.616 177.431 175.800 0.025 0.000 1.142 627 F CA -0.268 57.745 58.000 0.022 0.000 1.322 627 F CB 0.387 39.398 39.000 0.019 0.000 1.126 627 F HN 0.307 nan 8.300 nan 0.000 0.599 628 I N 3.099 123.814 120.570 0.243 0.000 2.683 628 I HA 0.012 4.183 4.170 0.002 0.000 0.286 628 I C 0.689 176.890 176.117 0.139 0.000 1.175 628 I CA -0.156 61.235 61.300 0.151 0.000 1.429 628 I CB 0.309 38.385 38.000 0.127 0.000 1.371 628 I HN 0.774 nan 8.210 nan 0.000 0.569 629 T N 3.611 118.233 114.554 0.112 0.000 2.788 629 T HA 0.157 4.508 4.350 0.002 0.000 0.287 629 T C 1.218 175.985 174.700 0.111 0.000 1.007 629 T CA -0.774 61.379 62.100 0.088 0.000 1.005 629 T CB 1.500 70.405 68.868 0.062 0.000 1.012 629 T HN 0.437 nan 8.240 nan 0.000 0.530 630 V N 1.457 121.430 119.914 0.099 0.000 2.515 630 V HA -0.069 4.053 4.120 0.002 0.000 0.250 630 V C 3.037 179.315 176.094 0.306 0.000 1.058 630 V CA 2.023 64.439 62.300 0.192 0.000 1.064 630 V CB -1.620 30.328 31.823 0.208 0.000 0.675 630 V HN 1.073 nan 8.190 nan 0.000 0.461 631 A N 0.142 123.136 122.820 0.291 0.000 1.933 631 A HA -0.087 4.234 4.320 0.002 0.000 0.218 631 A C 2.422 180.186 177.584 0.300 0.000 1.175 631 A CA 1.944 54.202 52.037 0.368 0.000 0.628 631 A CB -0.668 18.500 19.000 0.280 0.000 0.814 631 A HN 0.552 nan 8.150 nan 0.000 0.444 632 A N -0.729 122.214 122.820 0.206 0.000 1.930 632 A HA -0.185 4.136 4.320 0.002 0.000 0.217 632 A C 2.119 179.798 177.584 0.159 0.000 1.175 632 A CA 1.598 53.735 52.037 0.165 0.000 0.627 632 A CB -0.509 18.564 19.000 0.121 0.000 0.815 632 A HN 0.652 nan 8.150 nan 0.000 0.443 633 Q N -1.925 117.976 119.800 0.170 0.000 2.050 633 Q HA -0.199 4.142 4.340 0.002 0.000 0.202 633 Q C 2.018 178.106 176.000 0.146 0.000 0.980 633 Q CA 1.786 57.676 55.803 0.144 0.000 0.840 633 Q CB -0.405 28.425 28.738 0.152 0.000 0.898 633 Q HN 0.841 nan 8.270 nan 0.000 0.424 634 Y N 1.804 122.167 120.300 0.105 0.000 2.114 634 Y HA -0.303 4.248 4.550 0.002 0.000 0.282 634 Y C 1.918 177.846 175.900 0.046 0.000 1.165 634 Y CA 1.843 59.985 58.100 0.071 0.000 1.148 634 Y CB 0.054 38.557 38.460 0.072 0.000 0.972 634 Y HN -0.096 nan 8.280 nan 0.000 0.504 635 K N 0.108 120.597 120.400 0.150 0.000 2.057 635 K HA -0.193 4.128 4.320 0.002 0.000 0.207 635 K C 2.012 178.569 176.600 -0.072 0.000 1.049 635 K CA 1.841 58.156 56.287 0.046 0.000 0.931 635 K CB -0.206 32.405 32.500 0.184 0.000 0.714 635 K HN 0.498 nan 8.250 nan 0.000 0.440 636 E N 0.825 121.012 120.200 -0.021 0.000 2.085 636 E HA -0.232 4.119 4.350 0.002 0.000 0.194 636 E C 2.193 178.746 176.600 -0.078 0.000 0.994 636 E CA 1.200 57.585 56.400 -0.024 0.000 0.801 636 E CB 0.019 29.731 29.700 0.020 0.000 0.743 636 E HN 0.359 nan 8.360 nan 0.000 0.453 637 Q N 0.239 119.964 119.800 -0.125 0.000 2.079 637 Q HA -0.157 4.184 4.340 0.002 0.000 0.200 637 Q C 2.363 178.159 176.000 -0.340 0.000 0.974 637 Q CA 0.903 56.626 55.803 -0.134 0.000 0.840 637 Q CB -0.113 28.587 28.738 -0.064 0.000 0.898 637 Q HN 0.182 nan 8.270 nan 0.000 0.430 638 L N 0.547 121.449 121.223 -0.535 0.000 2.056 638 L HA -0.066 4.276 4.340 0.002 0.000 0.207 638 L C 2.142 178.815 176.870 -0.328 0.000 1.078 638 L CA 1.909 56.409 54.840 -0.566 0.000 0.749 638 L CB -0.633 41.006 42.059 -0.700 0.000 0.901 638 L HN 0.098 nan 8.230 nan 0.000 0.433 639 A N -0.719 121.973 122.820 -0.214 0.000 1.902 639 A HA -0.209 4.113 4.320 0.002 0.000 0.217 639 A C 2.500 180.018 177.584 -0.111 0.000 1.181 639 A CA 2.000 53.966 52.037 -0.119 0.000 0.623 639 A CB -1.142 17.825 19.000 -0.056 0.000 0.818 639 A HN 0.672 nan 8.150 nan 0.000 0.443 640 S N -0.139 115.498 115.700 -0.106 0.000 2.368 640 S HA -0.169 4.303 4.470 0.002 0.000 0.225 640 S C 1.898 176.421 174.600 -0.128 0.000 1.030 640 S CA 1.473 59.627 58.200 -0.076 0.000 0.999 640 S CB -0.710 62.475 63.200 -0.026 0.000 0.844 640 S HN 0.531 nan 8.310 nan 0.000 0.459 641 L N 1.184 122.287 121.223 -0.199 0.000 2.017 641 L HA 0.029 4.371 4.340 0.002 0.000 0.208 641 L C 2.462 179.139 176.870 -0.321 0.000 1.073 641 L CA 1.955 56.606 54.840 -0.314 0.000 0.745 641 L CB -0.842 40.962 42.059 -0.425 0.000 0.894 641 L HN 0.216 nan 8.230 nan 0.000 0.432 642 M N -0.339 119.105 119.600 -0.259 0.000 2.159 642 M HA -0.101 4.380 4.480 0.002 0.000 0.263 642 M C 2.447 178.685 176.300 -0.105 0.000 1.063 642 M CA 1.708 56.884 55.300 -0.208 0.000 1.110 642 M CB -1.903 30.621 32.600 -0.126 0.000 1.374 642 M HN 0.462 nan 8.290 nan 0.000 0.411 643 A N -0.131 122.644 122.820 -0.076 0.000 1.883 643 A HA -0.160 4.162 4.320 0.002 0.000 0.217 643 A C 2.371 179.951 177.584 -0.006 0.000 1.186 643 A CA 2.386 54.412 52.037 -0.017 0.000 0.624 643 A CB -1.196 17.795 19.000 -0.015 0.000 0.822 643 A HN 0.474 nan 8.150 nan 0.000 0.444 644 T N 0.550 115.066 114.554 -0.063 0.000 2.684 644 T HA -0.105 4.246 4.350 0.002 0.000 0.267 644 T C 1.781 176.489 174.700 0.014 0.000 1.036 644 T CA 1.533 63.617 62.100 -0.027 0.000 1.148 644 T CB -0.407 68.373 68.868 -0.148 0.000 0.863 644 T HN 0.379 nan 8.240 nan 0.000 0.436 645 L N 0.989 122.133 121.223 -0.132 0.000 2.131 645 L HA -0.087 4.255 4.340 0.002 0.000 0.210 645 L C 2.880 179.829 176.870 0.131 0.000 1.092 645 L CA 1.060 55.837 54.840 -0.105 0.000 0.759 645 L CB -0.575 41.185 42.059 -0.499 0.000 0.903 645 L HN 0.199 nan 8.230 nan 0.000 0.435 646 E N -0.573 119.726 120.200 0.165 0.000 2.347 646 E HA -0.140 4.211 4.350 0.002 0.000 0.196 646 E C 2.097 178.812 176.600 0.192 0.000 1.008 646 E CA 1.117 57.676 56.400 0.266 0.000 0.852 646 E CB -0.374 29.455 29.700 0.214 0.000 0.783 646 E HN 0.730 nan 8.360 nan 0.000 0.505 647 T N -1.582 113.066 114.554 0.157 0.000 3.129 647 T HA 0.016 4.367 4.350 0.002 0.000 0.251 647 T C 0.964 175.732 174.700 0.113 0.000 1.117 647 T CA 0.603 62.788 62.100 0.142 0.000 1.034 647 T CB -0.208 68.761 68.868 0.169 0.000 0.968 647 T HN 0.342 nan 8.240 nan 0.000 0.526 648 T N -0.165 114.458 114.554 0.115 0.000 2.942 648 T HA 0.553 4.904 4.350 0.002 0.000 0.289 648 T C -0.738 173.980 174.700 0.030 0.000 1.044 648 T CA -1.058 61.066 62.100 0.039 0.000 1.023 648 T CB 1.566 70.468 68.868 0.057 0.000 1.123 648 T HN 0.103 nan 8.240 nan 0.000 0.512 649 N N 2.723 121.405 118.700 -0.029 0.000 2.414 649 N HA 0.432 5.174 4.740 0.002 0.000 0.256 649 N C -2.555 172.839 175.510 -0.192 0.000 1.029 649 N CA -1.862 51.134 53.050 -0.091 0.000 0.948 649 N CB 0.986 39.420 38.487 -0.087 0.000 1.102 649 N HN 0.411 nan 8.380 nan 0.000 0.496 650 P HA 0.250 nan 4.420 nan 0.000 0.284 650 P C -1.261 175.614 177.300 -0.709 0.000 1.258 650 P CA -0.185 62.660 63.100 -0.424 0.000 0.824 650 P CB 1.234 32.630 31.700 -0.507 0.000 1.038 651 H N 1.481 120.352 119.070 -0.331 0.000 2.589 651 H HA 0.386 4.943 4.556 0.003 0.000 0.351 651 H C -0.692 174.492 175.328 -0.240 0.000 1.074 651 H CA -0.256 55.693 56.048 -0.165 0.000 1.203 651 H CB 1.046 30.791 29.762 -0.028 0.000 1.558 651 H HN 0.310 nan 8.280 nan 0.000 0.522 652 F N 1.327 121.441 119.950 0.273 0.000 2.443 652 F HA 0.382 4.911 4.527 0.002 0.000 0.335 652 F C 0.234 176.195 175.800 0.267 0.000 1.104 652 F CA -0.789 57.360 58.000 0.250 0.000 1.013 652 F CB 1.773 40.928 39.000 0.259 0.000 1.136 652 F HN 0.114 nan 8.300 nan 0.000 0.470 653 V N 4.269 124.403 119.914 0.365 0.000 2.531 653 V HA 0.510 4.632 4.120 0.002 0.000 0.301 653 V C -0.654 175.570 176.094 0.217 0.000 1.034 653 V CA -0.974 61.497 62.300 0.285 0.000 0.865 653 V CB 1.763 33.703 31.823 0.195 0.000 0.995 653 V HN 0.522 nan 8.190 nan 0.000 0.424 654 R N 2.938 123.557 120.500 0.199 0.000 2.215 654 R HA 0.448 4.789 4.340 0.002 0.000 0.337 654 R C -0.705 175.642 176.300 0.078 0.000 1.010 654 R CA -0.399 55.751 56.100 0.083 0.000 0.871 654 R CB 0.816 31.135 30.300 0.032 0.000 1.134 654 R HN 0.621 nan 8.270 nan 0.000 0.477 655 C N 4.033 123.365 119.300 0.053 0.000 2.527 655 C HA 0.518 4.979 4.460 0.002 0.000 0.396 655 C C 0.550 175.536 174.990 -0.006 0.000 1.289 655 C CA -0.515 58.518 59.018 0.024 0.000 2.047 655 C CB -0.020 27.730 27.740 0.016 0.000 2.568 655 C HN 0.565 nan 8.230 nan 0.000 0.573 656 I N 3.838 124.387 120.570 -0.035 0.000 2.466 656 I HA 0.410 4.581 4.170 0.002 0.000 0.289 656 I C -0.017 176.056 176.117 -0.073 0.000 1.026 656 I CA -0.607 60.661 61.300 -0.053 0.000 1.078 656 I CB 1.368 39.330 38.000 -0.065 0.000 1.249 656 I HN 0.640 nan 8.210 nan 0.000 0.429 657 I N 8.386 128.932 120.570 -0.040 0.000 2.428 657 I HA 0.274 4.446 4.170 0.002 0.000 0.289 657 I C -1.191 174.925 176.117 -0.002 0.000 1.019 657 I CA -1.776 59.529 61.300 0.008 0.000 1.351 657 I CB 2.212 40.265 38.000 0.088 0.000 1.412 657 I HN 0.368 nan 8.210 nan 0.000 0.513 658 P HA 0.013 nan 4.420 nan 0.000 0.224 658 P C -0.961 176.350 177.300 0.019 0.000 1.157 658 P CA 0.897 63.969 63.100 -0.045 0.000 0.799 658 P CB 0.092 31.765 31.700 -0.045 0.000 0.809 659 N N -1.814 116.941 118.700 0.092 0.000 3.308 659 N HA 0.145 4.886 4.740 0.002 0.000 0.276 659 N C -0.571 174.962 175.510 0.038 0.000 1.533 659 N CA -0.824 52.249 53.050 0.039 0.000 0.878 659 N CB -0.484 38.019 38.487 0.028 0.000 1.566 659 N HN -0.353 nan 8.380 nan 0.000 0.546 660 N N -0.703 117.993 118.700 -0.007 0.000 2.389 660 N HA 0.218 4.959 4.740 0.002 0.000 0.260 660 N C -0.606 174.867 175.510 -0.062 0.000 1.191 660 N CA 0.037 53.078 53.050 -0.014 0.000 0.885 660 N CB 0.646 39.129 38.487 -0.006 0.000 1.162 660 N HN 0.508 nan 8.380 nan 0.000 0.512 661 K N 0.150 120.472 120.400 -0.130 0.000 2.477 661 K HA 0.168 4.490 4.320 0.002 0.000 0.208 661 K C -0.153 176.234 176.600 -0.354 0.000 1.117 661 K CA -0.057 56.124 56.287 -0.176 0.000 1.039 661 K CB 0.838 33.265 32.500 -0.121 0.000 0.937 661 K HN -0.004 nan 8.250 nan 0.000 0.570 662 Q N 0.882 120.278 119.800 -0.673 0.000 2.475 662 Q HA -0.196 4.145 4.340 0.002 0.000 0.280 662 Q C -0.891 174.397 176.000 -1.186 0.000 1.234 662 Q CA 0.559 55.434 55.803 -1.547 0.000 0.873 662 Q CB -1.643 26.624 28.738 -0.784 0.000 1.256 662 Q HN 0.347 nan 8.270 nan 0.000 0.475 663 L N 0.599 121.392 121.223 -0.717 0.000 2.334 663 L HA 0.641 4.982 4.340 0.002 0.000 0.273 663 L C -1.910 175.006 176.870 0.076 0.000 1.013 663 L CA -2.275 52.434 54.840 -0.218 0.000 0.816 663 L CB 1.402 43.397 42.059 -0.107 0.000 1.278 663 L HN -0.105 nan 8.230 nan 0.000 0.431 664 P HA 0.161 nan 4.420 nan 0.000 0.276 664 P C -0.146 177.250 177.300 0.161 0.000 1.252 664 P CA -0.104 63.123 63.100 0.212 0.000 0.802 664 P CB 1.198 32.970 31.700 0.120 0.000 1.035 665 A N -0.095 122.827 122.820 0.170 0.000 2.822 665 A HA -0.211 4.110 4.320 0.002 0.000 0.287 665 A C 0.429 178.119 177.584 0.176 0.000 1.479 665 A CA 1.462 53.584 52.037 0.140 0.000 0.779 665 A CB -2.629 16.398 19.000 0.045 0.000 1.022 665 A HN 0.652 nan 8.150 nan 0.000 0.532 666 K N 0.033 120.577 120.400 0.241 0.000 2.950 666 K HA 0.426 4.747 4.320 0.002 0.000 0.199 666 K C -0.686 175.996 176.600 0.137 0.000 1.144 666 K CA -0.816 55.561 56.287 0.149 0.000 0.983 666 K CB 0.167 32.721 32.500 0.090 0.000 1.187 666 K HN 0.233 nan 8.250 nan 0.000 0.595 667 L N 2.707 124.008 121.223 0.129 0.000 2.410 667 L HA 0.207 4.549 4.340 0.002 0.000 0.273 667 L C 0.100 177.031 176.870 0.101 0.000 1.152 667 L CA 0.726 55.608 54.840 0.069 0.000 0.855 667 L CB 0.832 42.944 42.059 0.088 0.000 1.129 667 L HN 0.502 nan 8.230 nan 0.000 0.463 668 E N 2.610 122.847 120.200 0.063 0.000 2.129 668 E HA 0.135 4.486 4.350 0.002 0.000 0.268 668 E C -0.053 176.545 176.600 -0.004 0.000 0.900 668 E CA -0.587 55.835 56.400 0.036 0.000 0.755 668 E CB 1.303 31.003 29.700 -0.000 0.000 1.117 668 E HN 0.464 nan 8.360 nan 0.000 0.410 669 D N 2.480 122.906 120.400 0.044 0.000 2.097 669 D HA -0.195 4.447 4.640 0.002 0.000 0.195 669 D C 1.632 177.785 176.300 -0.244 0.000 0.989 669 D CA 1.359 55.334 54.000 -0.043 0.000 0.827 669 D CB 0.167 41.051 40.800 0.140 0.000 0.966 669 D HN 0.315 nan 8.370 nan 0.000 0.456 670 K N 0.626 120.947 120.400 -0.132 0.000 2.097 670 K HA -0.067 4.254 4.320 0.002 0.000 0.205 670 K C 1.955 178.455 176.600 -0.166 0.000 1.050 670 K CA 0.584 56.785 56.287 -0.142 0.000 0.938 670 K CB 0.010 32.454 32.500 -0.093 0.000 0.718 670 K HN -0.098 nan 8.250 nan 0.000 0.442 671 V N 0.524 120.352 119.914 -0.142 0.000 2.287 671 V HA -0.239 3.882 4.120 0.002 0.000 0.248 671 V C 2.232 178.212 176.094 -0.189 0.000 1.053 671 V CA 1.644 63.865 62.300 -0.132 0.000 1.027 671 V CB -0.149 31.623 31.823 -0.084 0.000 0.646 671 V HN 0.185 nan 8.190 nan 0.000 0.447 672 V N -0.570 119.171 119.914 -0.287 0.000 2.323 672 V HA -0.197 3.924 4.120 0.002 0.000 0.244 672 V C 2.254 178.111 176.094 -0.395 0.000 1.041 672 V CA 1.793 63.874 62.300 -0.365 0.000 1.025 672 V CB -0.433 31.078 31.823 -0.521 0.000 0.656 672 V HN 0.423 nan 8.190 nan 0.000 0.451 673 L N -0.248 120.675 121.223 -0.499 0.000 2.141 673 L HA -0.170 4.172 4.340 0.002 0.000 0.209 673 L C 2.311 179.060 176.870 -0.200 0.000 1.094 673 L CA 1.341 55.968 54.840 -0.355 0.000 0.763 673 L CB -0.624 41.245 42.059 -0.316 0.000 0.908 673 L HN 0.328 nan 8.230 nan 0.000 0.437 674 D N -0.293 119.997 120.400 -0.184 0.000 2.149 674 D HA -0.202 4.439 4.640 0.002 0.000 0.198 674 D C 2.290 178.506 176.300 -0.140 0.000 0.990 674 D CA 1.162 55.077 54.000 -0.143 0.000 0.839 674 D CB -0.017 40.697 40.800 -0.143 0.000 0.948 674 D HN 0.409 nan 8.370 nan 0.000 0.460 675 Q N -0.204 119.507 119.800 -0.147 0.000 2.083 675 Q HA -0.004 4.338 4.340 0.002 0.000 0.198 675 Q C 2.522 178.470 176.000 -0.086 0.000 0.969 675 Q CA 0.567 56.298 55.803 -0.119 0.000 0.838 675 Q CB -0.016 28.657 28.738 -0.109 0.000 0.900 675 Q HN 0.292 nan 8.270 nan 0.000 0.436 676 L N 0.251 121.418 121.223 -0.094 0.000 2.079 676 L HA -0.227 4.114 4.340 0.002 0.000 0.210 676 L C 2.493 179.353 176.870 -0.016 0.000 1.081 676 L CA 1.332 56.145 54.840 -0.044 0.000 0.752 676 L CB -0.424 41.603 42.059 -0.053 0.000 0.896 676 L HN 0.189 nan 8.230 nan 0.000 0.433 677 R N -0.088 120.391 120.500 -0.035 0.000 2.061 677 R HA -0.151 4.190 4.340 0.002 0.000 0.230 677 R C 2.549 178.854 176.300 0.009 0.000 1.140 677 R CA 1.833 57.929 56.100 -0.007 0.000 0.940 677 R CB -0.740 29.548 30.300 -0.020 0.000 0.839 677 R HN 0.592 nan 8.270 nan 0.000 0.429 678 C N -0.176 119.115 119.300 -0.015 0.000 2.456 678 C HA 0.113 4.574 4.460 0.002 0.000 0.279 678 C C 1.756 176.812 174.990 0.110 0.000 1.427 678 C CA 0.055 59.100 59.018 0.045 0.000 1.778 678 C CB -1.169 26.539 27.740 -0.052 0.000 1.842 678 C HN 0.393 nan 8.230 nan 0.000 0.531 679 N N 1.062 119.768 118.700 0.011 0.000 2.457 679 N HA 0.148 4.890 4.740 0.002 0.000 0.180 679 N C 1.379 176.792 175.510 -0.162 0.000 1.050 679 N CA 0.798 53.776 53.050 -0.119 0.000 0.906 679 N CB -0.158 38.228 38.487 -0.169 0.000 0.968 679 N HN 0.794 nan 8.380 nan 0.000 0.445 680 G N 0.768 109.581 108.800 0.022 0.000 2.182 680 G HA2 -0.227 3.734 3.960 0.002 0.000 0.248 680 G HA3 -0.227 3.734 3.960 0.002 0.000 0.248 680 G C 0.772 175.821 174.900 0.249 0.000 1.042 680 G CA 0.232 45.435 45.100 0.172 0.000 0.775 680 G HN 0.161 nan 8.290 nan 0.000 0.501 681 V N -0.387 119.631 119.914 0.173 0.000 2.307 681 V HA -0.140 3.981 4.120 0.002 0.000 0.245 681 V C 2.880 179.191 176.094 0.362 0.000 1.045 681 V CA 2.338 64.841 62.300 0.339 0.000 1.024 681 V CB -0.420 31.550 31.823 0.245 0.000 0.651 681 V HN 0.403 nan 8.190 nan 0.000 0.449 682 L N -0.243 121.117 121.223 0.228 0.000 2.056 682 L HA -0.151 4.190 4.340 0.002 0.000 0.207 682 L C 2.421 179.434 176.870 0.238 0.000 1.078 682 L CA 1.724 56.682 54.840 0.196 0.000 0.749 682 L CB -0.817 41.322 42.059 0.134 0.000 0.901 682 L HN 0.292 nan 8.230 nan 0.000 0.433 683 E N -0.381 119.964 120.200 0.242 0.000 2.118 683 E HA -0.158 4.193 4.350 0.002 0.000 0.195 683 E C 2.292 179.090 176.600 0.330 0.000 0.992 683 E CA 1.210 57.740 56.400 0.217 0.000 0.804 683 E CB -0.689 28.991 29.700 -0.034 0.000 0.741 683 E HN 0.463 nan 8.360 nan 0.000 0.458 684 G N 0.495 109.617 108.800 0.536 0.000 2.408 684 G HA2 -0.219 3.742 3.960 0.002 0.000 0.217 684 G HA3 -0.219 3.742 3.960 0.002 0.000 0.217 684 G C 1.607 176.747 174.900 0.400 0.000 1.150 684 G CA 0.722 46.159 45.100 0.562 0.000 0.776 684 G HN 0.185 nan 8.290 nan 0.000 0.542 685 I N 0.155 120.917 120.570 0.320 0.000 2.252 685 I HA -0.135 4.036 4.170 0.002 0.000 0.245 685 I C 3.020 179.231 176.117 0.157 0.000 1.102 685 I CA 0.865 62.256 61.300 0.152 0.000 1.385 685 I CB -0.187 37.877 38.000 0.107 0.000 1.064 685 I HN 0.066 nan 8.210 nan 0.000 0.414 686 R N 0.298 120.923 120.500 0.209 0.000 2.081 686 R HA -0.180 4.161 4.340 0.002 0.000 0.235 686 R C 2.380 178.853 176.300 0.287 0.000 1.131 686 R CA 1.510 57.759 56.100 0.249 0.000 0.960 686 R CB -0.630 29.873 30.300 0.339 0.000 0.856 686 R HN 0.265 nan 8.270 nan 0.000 0.436 687 I N 1.145 121.859 120.570 0.241 0.000 2.226 687 I HA -0.251 3.920 4.170 0.002 0.000 0.245 687 I C 1.747 177.962 176.117 0.163 0.000 1.100 687 I CA 1.777 63.213 61.300 0.228 0.000 1.374 687 I CB -0.323 37.673 38.000 -0.007 0.000 1.057 687 I HN 0.091 nan 8.210 nan 0.000 0.413 688 T N 0.470 115.086 114.554 0.102 0.000 2.635 688 T HA -0.238 4.114 4.350 0.002 0.000 0.267 688 T C 2.089 176.816 174.700 0.046 0.000 1.040 688 T CA 1.981 64.115 62.100 0.057 0.000 1.156 688 T CB -0.297 68.593 68.868 0.037 0.000 0.863 688 T HN 0.341 nan 8.240 nan 0.000 0.430 689 R N 0.785 121.325 120.500 0.067 0.000 2.066 689 R HA 0.050 4.392 4.340 0.002 0.000 0.232 689 R C 2.449 178.766 176.300 0.028 0.000 1.131 689 R CA 1.183 57.307 56.100 0.040 0.000 0.955 689 R CB -0.041 30.293 30.300 0.056 0.000 0.851 689 R HN 0.351 nan 8.270 nan 0.000 0.432 690 K N -0.483 119.989 120.400 0.120 0.000 2.361 690 K HA 0.118 4.439 4.320 0.002 0.000 0.196 690 K C 1.088 177.796 176.600 0.180 0.000 1.039 690 K CA 0.495 56.876 56.287 0.157 0.000 1.001 690 K CB 0.652 33.310 32.500 0.263 0.000 0.795 690 K HN 0.156 nan 8.250 nan 0.000 0.495 691 G N 0.304 109.174 108.800 0.116 0.000 2.606 691 G HA2 0.428 4.389 3.960 0.002 0.000 0.262 691 G HA3 0.428 4.389 3.960 0.002 0.000 0.262 691 G C -0.870 173.695 174.900 -0.559 0.000 1.394 691 G CA -0.623 44.464 45.100 -0.022 0.000 1.044 691 G HN 0.065 nan 8.290 nan 0.000 0.553 692 F N 0.494 120.419 119.950 -0.042 0.000 2.660 692 F HA 0.345 4.874 4.527 0.002 0.000 0.352 692 F C -1.542 174.370 175.800 0.187 0.000 1.257 692 F CA -1.633 56.372 58.000 0.008 0.000 1.200 692 F CB 2.247 41.149 39.000 -0.163 0.000 1.473 692 F HN 0.173 nan 8.300 nan 0.000 0.561 693 P HA -0.154 nan 4.420 nan 0.000 0.216 693 P C -0.341 177.029 177.300 0.117 0.000 1.150 693 P CA 1.456 64.635 63.100 0.131 0.000 0.843 693 P CB 0.293 32.023 31.700 0.051 0.000 0.787 694 N N 0.783 119.549 118.700 0.111 0.000 2.342 694 N HA 0.247 4.988 4.740 0.002 0.000 0.293 694 N C -0.252 175.208 175.510 -0.083 0.000 1.026 694 N CA -0.483 52.576 53.050 0.014 0.000 0.857 694 N CB 2.163 40.650 38.487 0.001 0.000 1.256 694 N HN 0.047 nan 8.380 nan 0.000 0.484 695 R N 1.593 121.944 120.500 -0.248 0.000 2.538 695 R HA 0.586 4.928 4.340 0.002 0.000 0.292 695 R C -1.206 174.885 176.300 -0.348 0.000 1.008 695 R CA -0.469 55.310 56.100 -0.535 0.000 0.896 695 R CB 0.744 30.184 30.300 -1.434 0.000 1.187 695 R HN 0.495 nan 8.270 nan 0.000 0.440 696 I N 2.256 122.666 120.570 -0.266 0.000 2.656 696 I HA 0.554 4.726 4.170 0.002 0.000 0.292 696 I C 0.332 176.371 176.117 -0.129 0.000 1.144 696 I CA -1.366 59.835 61.300 -0.165 0.000 1.038 696 I CB 2.095 40.034 38.000 -0.102 0.000 1.244 696 I HN 0.553 nan 8.210 nan 0.000 0.420 737 Y N -0.380 120.080 120.300 0.267 0.000 2.638 737 Y HA 0.904 5.455 4.550 0.002 0.000 0.335 737 Y C -0.953 174.936 175.900 -0.018 0.000 1.155 737 Y CA -1.226 56.986 58.100 0.186 0.000 1.046 737 Y CB 1.199 39.725 38.460 0.110 0.000 1.303 737 Y HN 0.166 nan 8.280 nan 0.000 0.460 738 R N 1.044 121.463 120.500 -0.135 0.000 2.621 738 R HA 0.554 4.896 4.340 0.002 0.000 0.284 738 R C -2.194 174.074 176.300 -0.052 0.000 0.998 738 R CA -0.997 54.966 56.100 -0.229 0.000 0.895 738 R CB 1.794 31.736 30.300 -0.597 0.000 1.195 738 R HN 0.720 nan 8.270 nan 0.000 0.450 739 F N 0.942 120.868 119.950 -0.040 0.000 2.375 739 F HA 0.378 4.906 4.527 0.002 0.000 0.362 739 F C 1.446 177.258 175.800 0.019 0.000 1.129 739 F CA -0.009 58.002 58.000 0.018 0.000 1.154 739 F CB 1.378 40.382 39.000 0.007 0.000 1.205 739 F HN 0.552 nan 8.300 nan 0.000 0.513 740 G N 3.032 111.905 108.800 0.123 0.000 2.502 740 G HA2 0.355 4.316 3.960 0.002 0.000 0.305 740 G HA3 0.355 4.316 3.960 0.002 0.000 0.305 740 G C 0.981 175.941 174.900 0.101 0.000 1.190 740 G CA -0.629 44.547 45.100 0.127 0.000 0.933 740 G HN 0.690 nan 8.290 nan 0.000 0.503 741 I N -0.286 120.332 120.570 0.081 0.000 2.315 741 I HA -0.155 4.016 4.170 0.002 0.000 0.251 741 I C 2.569 178.721 176.117 0.059 0.000 1.125 741 I CA 2.162 63.495 61.300 0.056 0.000 1.392 741 I CB 0.144 38.171 38.000 0.045 0.000 1.065 741 I HN 0.632 nan 8.210 nan 0.000 0.424 742 T N -4.302 110.301 114.554 0.081 0.000 3.130 742 T HA 0.322 4.673 4.350 0.002 0.000 0.288 742 T C 0.256 174.973 174.700 0.028 0.000 0.936 742 T CA -0.552 61.576 62.100 0.047 0.000 0.897 742 T CB 0.254 69.144 68.868 0.037 0.000 1.178 742 T HN 0.054 nan 8.240 nan 0.000 0.543 743 K N 1.589 122.023 120.400 0.057 0.000 2.556 743 K HA 0.600 4.921 4.320 0.002 0.000 0.274 743 K C -1.337 175.293 176.600 0.049 0.000 0.966 743 K CA -1.188 55.080 56.287 -0.033 0.000 0.865 743 K CB 2.278 34.635 32.500 -0.239 0.000 1.444 743 K HN 0.192 nan 8.250 nan 0.000 0.433 744 I N -0.400 120.160 120.570 -0.016 0.000 2.359 744 I HA 0.478 4.649 4.170 0.002 0.000 0.294 744 I C -1.227 174.898 176.117 0.013 0.000 0.987 744 I CA -0.341 61.003 61.300 0.074 0.000 1.225 744 I CB 0.132 38.159 38.000 0.046 0.000 1.366 744 I HN 0.406 nan 8.210 nan 0.000 0.466 745 F N 6.340 126.257 119.950 -0.054 0.000 2.399 745 F HA 0.667 5.195 4.527 0.002 0.000 0.334 745 F C 0.666 176.518 175.800 0.086 0.000 1.097 745 F CA -0.228 57.764 58.000 -0.013 0.000 1.076 745 F CB 1.483 40.402 39.000 -0.135 0.000 1.162 745 F HN 0.492 nan 8.300 nan 0.000 0.495 746 F N 2.627 122.755 119.950 0.298 0.000 2.469 746 F HA 0.741 5.270 4.527 0.002 0.000 0.332 746 F C 0.136 176.110 175.800 0.290 0.000 1.103 746 F CA -1.398 56.759 58.000 0.263 0.000 0.979 746 F CB 0.999 40.070 39.000 0.119 0.000 1.137 746 F HN 0.660 nan 8.300 nan 0.000 0.463 747 R N 3.104 123.728 120.500 0.207 0.000 2.668 747 R HA 0.609 4.951 4.340 0.002 0.000 0.268 747 R C 1.528 177.822 176.300 -0.009 0.000 1.232 747 R CA 0.673 56.745 56.100 -0.046 0.000 1.166 747 R CB 0.806 31.031 30.300 -0.125 0.000 1.179 747 R HN 2.305 nan 8.270 nan 0.000 0.606 748 A N -0.318 122.476 122.820 -0.044 0.000 5.326 748 A HA -0.266 4.055 4.320 0.002 0.000 0.379 748 A C 0.738 178.323 177.584 0.001 0.000 1.574 748 A CA 1.740 53.767 52.037 -0.015 0.000 0.834 748 A CB -2.182 16.813 19.000 -0.007 0.000 1.524 748 A HN 0.897 nan 8.150 nan 0.000 0.448 749 G N 0.000 108.805 108.800 0.008 0.000 5.446 749 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 749 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 749 G CA 0.000 45.108 45.100 0.013 0.000 0.502 749 G HN 0.000 nan 8.290 nan 0.000 0.925