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 2ze9_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADTPPTPHLD AIERSLRDTS PGLEGSVWQR TDGNRLDAPD GDPAGWLLQT DATA SEQUENCE PGcWGDAGcK DRAGTRRLLD KMTRNIADAR HTVDISSLAP FPNGGFEDAV DATA SEQUENCE VDGLKASVAA GHSPRVRILV GAAPIYHLNV VPSRYRDELI GKLGAAAGKV DATA SEQUENCE TLNVASMTTS KTSLSWNASK LLVVDGKTAI TGGINGWKDD YLDTAHPVSD DATA SEQUENCE VDMALSGPAA RSAGKYLDTL WDWTcRNASD PAKVWLATSN GAScMPSMEQ DATA SEQUENCE DEAGSAPAEP TGDVPVIAVG GLGVGIKESD PSSGYHPDLP TAPDTKcTVG DATA SEQUENCE LHDNTNADRD YDTVNPEENA LRSLIASARS HVEISQQDLN ATcPPLPRYD DATA SEQUENCE IRTYDTLAGK LAAGVKVRIV VSDPANRGAV GSGGYSQIKS LDEISDTLRT DATA SEQUENCE RLVALTGDNE KASRALcGNL QLASFRSSDA AKWADGKPYA LHHKLVSVDD DATA SEQUENCE SAFYIGSKNL YPAWLQDFGY IVESPAAAQQ LKTELLDPEW KYSQQAAATP DATA SEQUENCE AGcP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.581 177.584 -0.005 0.000 1.274 1 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 1 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 2 D N 1.107 121.504 120.400 -0.005 0.000 2.360 2 D HA 0.088 4.737 4.640 0.014 0.000 0.210 2 D C 1.087 177.384 176.300 -0.005 0.000 1.047 2 D CA 1.340 55.337 54.000 -0.005 0.000 0.854 2 D CB 0.279 41.076 40.800 -0.004 0.000 0.936 2 D HN 0.625 nan 8.370 nan 0.000 0.514 3 T N 1.146 115.696 114.554 -0.007 0.000 2.940 3 T HA 0.301 4.659 4.350 0.014 0.000 0.309 3 T C -2.070 172.626 174.700 -0.007 0.000 1.056 3 T CA -1.278 60.817 62.100 -0.009 0.000 1.137 3 T CB 0.747 69.607 68.868 -0.013 0.000 0.976 3 T HN -0.110 nan 8.240 nan 0.000 0.547 4 P HA 0.363 nan 4.420 nan 0.000 0.275 4 P C -2.472 174.826 177.300 -0.003 0.000 1.228 4 P CA -1.383 61.716 63.100 -0.002 0.000 0.786 4 P CB -0.649 31.052 31.700 0.002 0.000 0.927 5 P HA 0.162 nan 4.420 nan 0.000 0.270 5 P C -0.211 177.089 177.300 0.001 0.000 1.223 5 P CA -0.060 63.037 63.100 -0.006 0.000 0.785 5 P CB 0.151 31.845 31.700 -0.011 0.000 0.923 6 T N -2.678 111.873 114.554 -0.005 0.000 3.390 6 T HA 0.273 4.631 4.350 0.014 0.000 0.351 6 T C -1.947 172.744 174.700 -0.016 0.000 1.759 6 T CA -1.795 60.310 62.100 0.008 0.000 1.561 6 T CB 0.392 69.259 68.868 -0.001 0.000 1.011 6 T HN 0.154 nan 8.240 nan 0.000 0.689 7 P HA -0.210 nan 4.420 nan 0.000 0.216 7 P C 0.851 178.014 177.300 -0.229 0.000 1.153 7 P CA 1.597 64.590 63.100 -0.179 0.000 0.858 7 P CB 0.092 31.610 31.700 -0.303 0.000 0.789 8 H N -0.782 118.260 119.070 -0.046 0.000 2.317 8 H HA 0.063 4.628 4.556 0.013 0.000 0.304 8 H C 2.310 177.598 175.328 -0.067 0.000 1.067 8 H CA 0.787 56.800 56.048 -0.057 0.000 1.352 8 H CB -1.047 28.679 29.762 -0.060 0.000 1.398 8 H HN -0.053 nan 8.280 nan 0.000 0.510 9 L N 0.659 121.917 121.223 0.059 0.000 2.043 9 L HA -0.235 4.113 4.340 0.014 0.000 0.212 9 L C 1.642 178.498 176.870 -0.023 0.000 1.075 9 L CA 1.445 56.282 54.840 -0.004 0.000 0.752 9 L CB -0.366 41.684 42.059 -0.015 0.000 0.891 9 L HN 0.372 nan 8.230 nan 0.000 0.432 10 D N -0.007 120.377 120.400 -0.027 0.000 2.149 10 D HA -0.165 4.483 4.640 0.014 0.000 0.198 10 D C 2.148 178.417 176.300 -0.052 0.000 0.990 10 D CA 1.501 55.480 54.000 -0.035 0.000 0.839 10 D CB 0.016 40.792 40.800 -0.040 0.000 0.948 10 D HN 0.345 nan 8.370 nan 0.000 0.460 11 A N 0.160 122.942 122.820 -0.063 0.000 1.930 11 A HA -0.037 4.291 4.320 0.014 0.000 0.215 11 A C 2.295 179.826 177.584 -0.089 0.000 1.176 11 A CA 0.568 52.562 52.037 -0.071 0.000 0.632 11 A CB -0.514 18.441 19.000 -0.075 0.000 0.819 11 A HN 0.167 nan 8.150 nan 0.000 0.445 12 I N -0.306 120.208 120.570 -0.093 0.000 2.252 12 I HA -0.240 3.939 4.170 0.014 0.000 0.245 12 I C 2.477 178.460 176.117 -0.223 0.000 1.102 12 I CA 1.716 62.930 61.300 -0.144 0.000 1.385 12 I CB -0.252 37.675 38.000 -0.121 0.000 1.064 12 I HN 0.529 nan 8.210 nan 0.000 0.414 13 E N 1.219 121.318 120.200 -0.169 0.000 2.077 13 E HA -0.243 4.115 4.350 0.014 0.000 0.193 13 E C 2.417 178.890 176.600 -0.211 0.000 0.989 13 E CA 0.936 57.217 56.400 -0.199 0.000 0.800 13 E CB 0.046 29.733 29.700 -0.021 0.000 0.746 13 E HN 0.269 nan 8.360 nan 0.000 0.452 14 R N 0.462 120.886 120.500 -0.126 0.000 2.094 14 R HA -0.165 4.183 4.340 0.014 0.000 0.239 14 R C 2.638 178.849 176.300 -0.148 0.000 1.137 14 R CA 1.607 57.649 56.100 -0.097 0.000 0.943 14 R CB -0.994 29.267 30.300 -0.065 0.000 0.850 14 R HN 0.194 nan 8.270 nan 0.000 0.433 15 S N 0.709 116.298 115.700 -0.185 0.000 2.359 15 S HA -0.126 4.352 4.470 0.014 0.000 0.222 15 S C 2.179 176.567 174.600 -0.354 0.000 1.038 15 S CA 1.316 59.386 58.200 -0.217 0.000 1.051 15 S CB -0.302 62.776 63.200 -0.203 0.000 0.944 15 S HN 0.273 nan 8.310 nan 0.000 0.433 16 L N 0.697 121.588 121.223 -0.553 0.000 2.013 16 L HA -0.134 4.214 4.340 0.014 0.000 0.212 16 L C 2.958 179.429 176.870 -0.665 0.000 1.073 16 L CA 1.961 56.248 54.840 -0.922 0.000 0.753 16 L CB -0.612 40.386 42.059 -1.768 0.000 0.890 16 L HN 0.357 nan 8.230 nan 0.000 0.432 17 R N 0.037 120.298 120.500 -0.398 0.000 2.148 17 R HA -0.190 4.158 4.340 0.014 0.000 0.227 17 R C 1.864 178.168 176.300 0.007 0.000 1.103 17 R CA 1.597 57.734 56.100 0.062 0.000 0.983 17 R CB -0.054 30.354 30.300 0.181 0.000 0.874 17 R HN 0.352 nan 8.270 nan 0.000 0.451 18 D N -1.370 118.982 120.400 -0.081 0.000 2.123 18 D HA -0.082 4.566 4.640 0.014 0.000 0.200 18 D C 1.344 177.593 176.300 -0.084 0.000 0.976 18 D CA 1.569 55.545 54.000 -0.040 0.000 0.831 18 D CB 0.191 40.989 40.800 -0.003 0.000 0.974 18 D HN 0.070 nan 8.370 nan 0.000 0.469 19 T N -1.364 113.008 114.554 -0.304 0.000 2.770 19 T HA 0.021 4.379 4.350 0.014 0.000 0.263 19 T C 0.716 175.258 174.700 -0.263 0.000 1.039 19 T CA 1.031 62.767 62.100 -0.605 0.000 1.142 19 T CB 0.040 68.463 68.868 -0.742 0.000 0.868 19 T HN -0.022 nan 8.240 nan 0.000 0.435 20 S N 1.212 116.843 115.700 -0.115 0.000 2.300 20 S HA 0.252 4.730 4.470 0.014 0.000 0.172 20 S C -2.159 172.625 174.600 0.306 0.000 1.484 20 S CA -0.879 57.367 58.200 0.078 0.000 1.265 20 S CB 1.363 64.623 63.200 0.100 0.000 1.313 20 S HN 0.281 nan 8.310 nan 0.000 0.387 21 P HA -0.021 nan 4.420 nan 0.000 0.221 21 P C 1.551 178.935 177.300 0.141 0.000 1.150 21 P CA 0.938 64.181 63.100 0.237 0.000 0.800 21 P CB -0.154 31.623 31.700 0.129 0.000 0.787 22 G N -0.511 108.349 108.800 0.099 0.000 2.650 22 G HA2 -0.075 3.893 3.960 0.014 0.000 0.214 22 G HA3 -0.075 3.893 3.960 0.014 0.000 0.214 22 G C 1.139 176.044 174.900 0.008 0.000 1.136 22 G CA 0.184 45.307 45.100 0.037 0.000 0.789 22 G HN 0.169 nan 8.290 nan 0.000 0.536 23 L N 0.179 121.429 121.223 0.046 0.000 2.607 23 L HA 0.291 4.639 4.340 0.014 0.000 0.228 23 L C 1.003 177.716 176.870 -0.263 0.000 1.123 23 L CA -0.350 54.495 54.840 0.007 0.000 0.890 23 L CB 0.201 42.354 42.059 0.156 0.000 1.103 23 L HN 0.231 nan 8.230 nan 0.000 0.468 24 E N 0.110 120.012 120.200 -0.497 0.000 2.366 24 E HA 0.307 4.665 4.350 0.014 0.000 0.266 24 E C 1.185 177.456 176.600 -0.548 0.000 1.015 24 E CA 0.806 56.559 56.400 -1.078 0.000 0.906 24 E CB 0.203 29.306 29.700 -0.996 0.000 0.979 24 E HN 0.339 nan 8.360 nan 0.000 0.443 25 G N 2.825 111.332 108.800 -0.488 0.000 2.175 25 G HA2 -0.324 3.644 3.960 0.014 0.000 0.244 25 G HA3 -0.324 3.644 3.960 0.014 0.000 0.244 25 G C 0.659 175.490 174.900 -0.116 0.000 0.982 25 G CA 0.717 45.678 45.100 -0.233 0.000 0.641 25 G HN 0.745 nan 8.290 nan 0.000 0.527 26 S N -1.780 113.860 115.700 -0.099 0.000 3.526 26 S HA 0.354 4.832 4.470 0.014 0.000 0.222 26 S C 1.695 176.375 174.600 0.133 0.000 1.001 26 S CA 1.143 59.350 58.200 0.012 0.000 0.831 26 S CB 0.241 63.441 63.200 0.001 0.000 0.941 26 S HN 0.667 nan 8.310 nan 0.000 0.585 27 V N 1.980 121.989 119.914 0.159 0.000 3.354 27 V HA 0.296 4.424 4.120 0.014 0.000 0.258 27 V C 0.582 176.909 176.094 0.389 0.000 1.159 27 V CA 0.551 63.063 62.300 0.353 0.000 1.125 27 V CB -0.437 31.554 31.823 0.281 0.000 0.774 27 V HN 0.755 nan 8.190 nan 0.000 0.464 28 W N -0.039 121.334 121.300 0.121 0.000 3.107 28 W HA 0.772 5.440 4.660 0.013 0.000 0.331 28 W C -1.396 175.170 176.519 0.078 0.000 1.204 28 W CA -0.907 56.484 57.345 0.076 0.000 1.184 28 W CB 1.722 31.185 29.460 0.005 0.000 1.421 28 W HN -0.027 nan 8.180 nan 0.000 0.544 29 Q N 2.776 122.733 119.800 0.261 0.000 2.430 29 Q HA 0.252 4.600 4.340 0.014 0.000 0.253 29 Q C -1.524 174.605 176.000 0.215 0.000 0.945 29 Q CA -0.646 55.189 55.803 0.052 0.000 0.964 29 Q CB 2.992 31.717 28.738 -0.020 0.000 1.460 29 Q HN 0.694 nan 8.270 nan 0.000 0.428 30 R N 1.595 122.221 120.500 0.210 0.000 2.357 30 R HA 0.618 4.966 4.340 0.014 0.000 0.296 30 R C -0.982 175.358 176.300 0.065 0.000 1.052 30 R CA 0.455 56.650 56.100 0.158 0.000 0.988 30 R CB 0.923 31.337 30.300 0.191 0.000 1.025 30 R HN 0.694 nan 8.270 nan 0.000 0.469 31 T N -0.000 114.574 114.554 0.033 0.000 2.894 31 T HA 0.356 4.714 4.350 0.014 0.000 0.309 31 T C -1.069 173.617 174.700 -0.024 0.000 1.208 31 T CA -1.165 60.936 62.100 0.001 0.000 1.016 31 T CB 1.846 70.711 68.868 -0.004 0.000 1.192 31 T HN 0.407 nan 8.240 nan 0.000 0.491 32 D N -0.020 120.364 120.400 -0.026 0.000 2.332 32 D HA 0.605 5.253 4.640 0.014 0.000 0.252 32 D C 1.273 177.546 176.300 -0.045 0.000 1.050 32 D CA 0.561 54.538 54.000 -0.037 0.000 0.970 32 D CB 1.221 42.005 40.800 -0.026 0.000 1.141 32 D HN 1.277 nan 8.370 nan 0.000 0.485 33 G N 0.806 109.574 108.800 -0.054 0.000 2.149 33 G HA2 -0.220 3.748 3.960 0.014 0.000 0.235 33 G HA3 -0.220 3.748 3.960 0.014 0.000 0.235 33 G C 0.125 174.986 174.900 -0.066 0.000 1.018 33 G CA -0.396 44.673 45.100 -0.052 0.000 0.728 33 G HN 0.452 nan 8.290 nan 0.000 0.508 34 N N -0.297 118.346 118.700 -0.094 0.000 2.463 34 N HA 0.553 5.301 4.740 0.014 0.000 0.270 34 N C 0.210 175.645 175.510 -0.125 0.000 1.205 34 N CA -0.227 52.750 53.050 -0.122 0.000 0.974 34 N CB 1.078 39.457 38.487 -0.179 0.000 1.197 34 N HN 0.446 nan 8.380 nan 0.000 0.504 35 R N 0.941 121.365 120.500 -0.127 0.000 2.575 35 R HA 0.373 4.721 4.340 0.014 0.000 0.293 35 R C -0.971 175.240 176.300 -0.149 0.000 0.983 35 R CA -0.589 55.441 56.100 -0.117 0.000 0.887 35 R CB 0.923 31.184 30.300 -0.064 0.000 1.184 35 R HN 0.462 nan 8.270 nan 0.000 0.445 36 L N 3.809 124.904 121.223 -0.213 0.000 2.325 36 L HA 0.148 4.496 4.340 0.014 0.000 0.284 36 L C 0.041 176.894 176.870 -0.029 0.000 1.089 36 L CA -0.274 54.398 54.840 -0.280 0.000 0.836 36 L CB 0.855 42.414 42.059 -0.833 0.000 1.184 36 L HN 0.518 nan 8.230 nan 0.000 0.444 37 D N 4.075 124.525 120.400 0.083 0.000 2.441 37 D HA 0.279 4.927 4.640 0.014 0.000 0.243 37 D C -0.207 176.211 176.300 0.197 0.000 1.257 37 D CA 0.182 54.253 54.000 0.119 0.000 1.027 37 D CB 0.681 41.538 40.800 0.095 0.000 1.084 37 D HN 0.520 nan 8.370 nan 0.000 0.514 38 A N 4.307 127.238 122.820 0.186 0.000 2.330 38 A HA 0.688 5.016 4.320 0.014 0.000 0.327 38 A C -2.337 175.312 177.584 0.108 0.000 1.155 38 A CA -1.225 50.922 52.037 0.183 0.000 0.803 38 A CB 1.059 20.210 19.000 0.252 0.000 1.208 38 A HN 0.318 nan 8.150 nan 0.000 0.477 39 P HA 0.277 nan 4.420 nan 0.000 0.277 39 P C -1.005 176.327 177.300 0.053 0.000 1.271 39 P CA -0.529 62.607 63.100 0.059 0.000 0.795 39 P CB 0.432 32.161 31.700 0.048 0.000 1.101 40 D N -0.129 120.297 120.400 0.042 0.000 2.389 40 D HA 0.272 4.920 4.640 0.014 0.000 0.247 40 D C 1.173 177.493 176.300 0.033 0.000 1.128 40 D CA 0.239 54.261 54.000 0.037 0.000 0.884 40 D CB 0.223 41.041 40.800 0.030 0.000 1.194 40 D HN 0.731 nan 8.370 nan 0.000 0.441 41 G N 2.148 110.967 108.800 0.033 0.000 2.153 41 G HA2 -0.271 3.698 3.960 0.014 0.000 0.252 41 G HA3 -0.271 3.698 3.960 0.014 0.000 0.252 41 G C 0.111 175.027 174.900 0.028 0.000 0.994 41 G CA 0.375 45.492 45.100 0.028 0.000 0.698 41 G HN 0.681 nan 8.290 nan 0.000 0.521 42 D N -0.960 119.461 120.400 0.034 0.000 2.978 42 D HA 0.428 5.076 4.640 0.014 0.000 0.268 42 D C -1.051 175.274 176.300 0.041 0.000 1.252 42 D CA -1.174 52.842 54.000 0.027 0.000 0.771 42 D CB 0.684 41.498 40.800 0.024 0.000 1.361 42 D HN 0.099 nan 8.370 nan 0.000 0.558 43 P HA 0.012 nan 4.420 nan 0.000 0.218 43 P C 0.842 178.227 177.300 0.141 0.000 1.149 43 P CA 0.712 63.873 63.100 0.101 0.000 0.817 43 P CB 0.337 32.088 31.700 0.086 0.000 0.785 44 A N -0.526 122.288 122.820 -0.009 0.000 2.370 44 A HA 0.364 4.692 4.320 0.014 0.000 0.238 44 A C 2.015 179.338 177.584 -0.434 0.000 1.289 44 A CA 0.424 52.286 52.037 -0.292 0.000 0.885 44 A CB -1.279 17.547 19.000 -0.290 0.000 0.961 44 A HN 0.217 nan 8.150 nan 0.000 0.499 45 G N 0.046 108.762 108.800 -0.139 0.000 2.559 45 G HA2 -0.190 3.778 3.960 0.014 0.000 0.216 45 G HA3 -0.190 3.778 3.960 0.014 0.000 0.216 45 G C 1.280 176.181 174.900 0.002 0.000 1.126 45 G CA 0.823 45.883 45.100 -0.067 0.000 0.778 45 G HN 0.909 nan 8.290 nan 0.000 0.543 46 W N -0.379 120.942 121.300 0.034 0.000 2.425 46 W HA 0.218 4.886 4.660 0.013 0.000 0.277 46 W C 0.183 176.728 176.519 0.044 0.000 1.231 46 W CA -0.362 57.007 57.345 0.040 0.000 1.248 46 W CB -0.609 28.875 29.460 0.040 0.000 1.117 46 W HN 0.073 nan 8.180 nan 0.000 0.568 47 L N 2.733 123.581 121.223 -0.626 0.000 2.282 47 L HA 0.307 4.656 4.340 0.014 0.000 0.287 47 L C -0.322 176.402 176.870 -0.243 0.000 1.075 47 L CA -0.407 54.056 54.840 -0.628 0.000 0.839 47 L CB 0.337 41.617 42.059 -1.299 0.000 1.219 47 L HN -0.066 nan 8.230 nan 0.000 0.434 48 L N 6.364 127.556 121.223 -0.052 0.000 2.449 48 L HA 0.317 4.665 4.340 0.014 0.000 0.255 48 L C 0.263 177.150 176.870 0.028 0.000 1.167 48 L CA -0.297 54.548 54.840 0.008 0.000 1.090 48 L CB -0.042 42.053 42.059 0.060 0.000 1.385 48 L HN 0.658 nan 8.230 nan 0.000 0.411 49 Q N 0.561 120.378 119.800 0.028 0.000 2.230 49 Q HA 0.580 4.928 4.340 0.014 0.000 0.248 49 Q C -0.465 175.597 176.000 0.104 0.000 0.915 49 Q CA -0.613 55.242 55.803 0.085 0.000 0.900 49 Q CB 2.346 31.165 28.738 0.135 0.000 1.229 49 Q HN 0.198 nan 8.270 nan 0.000 0.439 50 T N 0.968 115.604 114.554 0.136 0.000 2.912 50 T HA 0.412 4.771 4.350 0.014 0.000 0.299 50 T C -2.309 172.465 174.700 0.123 0.000 1.052 50 T CA -2.068 60.111 62.100 0.132 0.000 0.996 50 T CB 1.646 70.630 68.868 0.193 0.000 1.070 50 T HN 0.558 nan 8.240 nan 0.000 0.465 51 P HA 0.213 nan 4.420 nan 0.000 0.245 51 P C 0.788 178.091 177.300 0.006 0.000 1.206 51 P CA 0.476 63.597 63.100 0.035 0.000 0.781 51 P CB -0.316 31.385 31.700 0.003 0.000 0.994 52 G N 1.481 110.256 108.800 -0.042 0.000 2.363 52 G HA2 -0.224 3.744 3.960 0.014 0.000 0.286 52 G HA3 -0.224 3.744 3.960 0.014 0.000 0.286 52 G C 0.297 175.177 174.900 -0.034 0.000 0.975 52 G CA 0.088 45.170 45.100 -0.029 0.000 1.309 52 G HN 0.614 nan 8.290 nan 0.000 0.491 53 c N -1.493 117.005 118.600 -0.170 0.000 3.074 53 c HA 0.551 5.129 4.570 0.014 0.000 0.224 53 c C 0.555 174.627 174.090 -0.031 0.000 1.988 53 c CA -2.129 54.190 56.329 -0.017 0.000 1.470 53 c CB -1.306 41.234 42.510 0.050 0.000 2.762 53 c HN 0.561 nan 8.230 nan 0.000 0.502 54 W N 1.208 122.562 121.300 0.090 0.000 2.295 54 W HA 0.433 5.101 4.660 0.014 0.000 0.335 54 W C 1.448 177.923 176.519 -0.073 0.000 1.351 54 W CA 2.203 59.556 57.345 0.013 0.000 1.273 54 W CB 0.187 29.726 29.460 0.131 0.000 1.214 54 W HN 1.070 nan 8.180 nan 0.000 0.563 55 G N 1.829 110.538 108.800 -0.152 0.000 2.143 55 G HA2 -0.294 3.674 3.960 0.014 0.000 0.249 55 G HA3 -0.294 3.674 3.960 0.014 0.000 0.249 55 G C -0.650 174.202 174.900 -0.081 0.000 0.981 55 G CA -0.015 44.962 45.100 -0.206 0.000 0.665 55 G HN 0.556 nan 8.290 nan 0.000 0.528 56 D N -0.701 119.677 120.400 -0.036 0.000 2.479 56 D HA 0.684 5.332 4.640 0.014 0.000 0.246 56 D C 0.891 177.284 176.300 0.155 0.000 1.336 56 D CA 0.412 54.443 54.000 0.052 0.000 0.967 56 D CB 0.824 41.671 40.800 0.078 0.000 1.275 56 D HN 0.451 nan 8.370 nan 0.000 0.577 57 A N 2.469 125.373 122.820 0.139 0.000 2.167 57 A HA 0.226 4.554 4.320 0.014 0.000 0.214 57 A C 1.814 179.597 177.584 0.331 0.000 1.151 57 A CA 1.119 53.308 52.037 0.252 0.000 0.735 57 A CB -0.123 18.938 19.000 0.101 0.000 0.802 57 A HN 0.558 nan 8.150 nan 0.000 0.467 58 G N -2.290 106.624 108.800 0.190 0.000 2.777 58 G HA2 0.107 4.075 3.960 0.014 0.000 0.211 58 G HA3 0.107 4.075 3.960 0.014 0.000 0.211 58 G C 0.731 175.670 174.900 0.065 0.000 1.149 58 G CA 0.692 45.858 45.100 0.110 0.000 0.785 58 G HN 0.900 nan 8.290 nan 0.000 0.536 59 c N 0.564 119.251 118.600 0.145 0.000 4.028 59 c HA -0.148 4.430 4.570 0.014 0.000 0.300 59 c C 2.061 176.145 174.090 -0.011 0.000 1.399 59 c CA 0.648 57.020 56.329 0.072 0.000 2.051 59 c CB -1.496 40.941 42.510 -0.122 0.000 1.318 59 c HN 0.439 nan 8.230 nan 0.000 0.696 60 K N 0.604 121.013 120.400 0.015 0.000 2.228 60 K HA 0.021 4.350 4.320 0.014 0.000 0.202 60 K C 0.699 177.298 176.600 -0.001 0.000 1.051 60 K CA 1.114 57.399 56.287 -0.003 0.000 0.960 60 K CB -0.111 32.394 32.500 0.008 0.000 0.743 60 K HN 0.790 nan 8.250 nan 0.000 0.458 61 D N 1.421 121.832 120.400 0.017 0.000 2.479 61 D HA 0.081 4.729 4.640 0.014 0.000 0.247 61 D C -0.633 175.679 176.300 0.021 0.000 1.119 61 D CA -0.286 53.727 54.000 0.021 0.000 0.922 61 D CB 0.250 41.071 40.800 0.036 0.000 1.014 61 D HN -0.120 nan 8.370 nan 0.000 0.510 62 R N 2.663 123.164 120.500 0.001 0.000 3.657 62 R HA 0.338 4.686 4.340 0.014 0.000 0.220 62 R C 0.938 177.244 176.300 0.009 0.000 1.548 62 R CA -0.248 55.850 56.100 -0.004 0.000 1.465 62 R CB 0.666 30.946 30.300 -0.032 0.000 1.330 62 R HN 0.284 nan 8.270 nan 0.000 0.707 63 A N 1.178 124.016 122.820 0.030 0.000 2.014 63 A HA -0.029 4.299 4.320 0.014 0.000 0.218 63 A C 2.082 179.688 177.584 0.038 0.000 1.163 63 A CA 1.407 53.465 52.037 0.036 0.000 0.652 63 A CB -0.162 18.870 19.000 0.054 0.000 0.808 63 A HN 0.630 nan 8.150 nan 0.000 0.449 64 G N -0.775 108.053 108.800 0.046 0.000 2.394 64 G HA2 -0.081 3.887 3.960 0.014 0.000 0.214 64 G HA3 -0.081 3.887 3.960 0.014 0.000 0.214 64 G C 1.567 176.491 174.900 0.039 0.000 1.176 64 G CA 1.521 46.651 45.100 0.050 0.000 0.786 64 G HN 0.393 nan 8.290 nan 0.000 0.533 65 T N 1.148 115.720 114.554 0.030 0.000 2.597 65 T HA -0.193 4.165 4.350 0.014 0.000 0.267 65 T C 2.406 177.102 174.700 -0.007 0.000 1.053 65 T CA 1.495 63.601 62.100 0.010 0.000 1.165 65 T CB -0.274 68.584 68.868 -0.018 0.000 0.863 65 T HN 0.235 nan 8.240 nan 0.000 0.427 66 R N 0.489 120.984 120.500 -0.008 0.000 2.112 66 R HA -0.174 4.174 4.340 0.014 0.000 0.242 66 R C 2.728 179.030 176.300 0.004 0.000 1.137 66 R CA 1.920 58.016 56.100 -0.008 0.000 0.944 66 R CB -0.392 29.908 30.300 -0.001 0.000 0.857 66 R HN 0.364 nan 8.270 nan 0.000 0.435 67 R N 0.927 121.436 120.500 0.015 0.000 2.081 67 R HA -0.167 4.181 4.340 0.014 0.000 0.235 67 R C 2.381 178.700 176.300 0.032 0.000 1.131 67 R CA 1.439 57.552 56.100 0.023 0.000 0.960 67 R CB -0.380 29.932 30.300 0.021 0.000 0.856 67 R HN 0.157 nan 8.270 nan 0.000 0.436 68 L N 1.269 122.514 121.223 0.036 0.000 1.971 68 L HA -0.194 4.155 4.340 0.014 0.000 0.215 68 L C 2.059 178.962 176.870 0.055 0.000 1.072 68 L CA 1.850 56.723 54.840 0.055 0.000 0.758 68 L CB -0.537 41.563 42.059 0.070 0.000 0.889 68 L HN 0.268 nan 8.230 nan 0.000 0.433 69 L N -0.670 120.567 121.223 0.024 0.000 2.141 69 L HA -0.175 4.173 4.340 0.014 0.000 0.209 69 L C 2.250 179.134 176.870 0.023 0.000 1.094 69 L CA 1.516 56.362 54.840 0.011 0.000 0.763 69 L CB -0.748 41.280 42.059 -0.053 0.000 0.908 69 L HN 0.441 nan 8.230 nan 0.000 0.437 70 D N 0.227 120.640 120.400 0.022 0.000 2.149 70 D HA -0.217 4.431 4.640 0.014 0.000 0.201 70 D C 2.157 178.479 176.300 0.038 0.000 0.972 70 D CA 0.934 54.949 54.000 0.025 0.000 0.835 70 D CB 0.233 41.046 40.800 0.021 0.000 0.966 70 D HN -0.045 nan 8.370 nan 0.000 0.476 71 K N -0.236 120.192 120.400 0.047 0.000 2.103 71 K HA -0.003 4.325 4.320 0.014 0.000 0.204 71 K C 1.999 178.638 176.600 0.065 0.000 1.052 71 K CA 1.075 57.397 56.287 0.058 0.000 0.945 71 K CB -0.176 32.365 32.500 0.068 0.000 0.722 71 K HN 0.190 nan 8.250 nan 0.000 0.443 72 M N -0.044 119.600 119.600 0.073 0.000 2.065 72 M HA -0.177 4.311 4.480 0.014 0.000 0.259 72 M C 1.987 178.329 176.300 0.069 0.000 1.069 72 M CA 2.335 57.684 55.300 0.083 0.000 1.110 72 M CB -0.732 31.933 32.600 0.108 0.000 1.328 72 M HN 0.127 nan 8.290 nan 0.000 0.405 73 T N -0.039 114.550 114.554 0.059 0.000 2.635 73 T HA -0.241 4.117 4.350 0.014 0.000 0.267 73 T C 1.802 176.527 174.700 0.041 0.000 1.040 73 T CA 1.876 64.005 62.100 0.048 0.000 1.156 73 T CB -0.478 68.412 68.868 0.036 0.000 0.863 73 T HN 0.385 nan 8.240 nan 0.000 0.430 74 R N 0.894 121.417 120.500 0.039 0.000 2.092 74 R HA -0.068 4.280 4.340 0.014 0.000 0.231 74 R C 2.206 178.525 176.300 0.032 0.000 1.119 74 R CA 1.318 57.438 56.100 0.033 0.000 0.970 74 R CB -0.194 30.126 30.300 0.034 0.000 0.864 74 R HN 0.252 nan 8.270 nan 0.000 0.440 75 N N 0.589 119.313 118.700 0.040 0.000 2.166 75 N HA -0.117 4.631 4.740 0.014 0.000 0.186 75 N C 1.676 177.201 175.510 0.025 0.000 1.019 75 N CA 1.382 54.454 53.050 0.036 0.000 0.856 75 N CB -0.081 38.437 38.487 0.052 0.000 0.993 75 N HN 0.290 nan 8.380 nan 0.000 0.426 76 I N 0.253 120.844 120.570 0.034 0.000 2.286 76 I HA -0.133 4.045 4.170 0.014 0.000 0.245 76 I C 2.169 178.295 176.117 0.015 0.000 1.104 76 I CA 0.732 62.049 61.300 0.028 0.000 1.397 76 I CB -0.324 37.703 38.000 0.045 0.000 1.072 76 I HN 0.041 nan 8.210 nan 0.000 0.417 77 A N 0.563 123.396 122.820 0.021 0.000 1.978 77 A HA -0.235 4.093 4.320 0.014 0.000 0.220 77 A C 1.725 179.314 177.584 0.009 0.000 1.170 77 A CA 1.991 54.041 52.037 0.021 0.000 0.636 77 A CB -0.546 18.469 19.000 0.026 0.000 0.810 77 A HN 0.355 nan 8.150 nan 0.000 0.448 78 D N 0.075 120.470 120.400 -0.007 0.000 2.363 78 D HA 0.240 4.888 4.640 0.014 0.000 0.226 78 D C 0.800 177.036 176.300 -0.107 0.000 1.020 78 D CA 0.788 54.766 54.000 -0.036 0.000 0.892 78 D CB -0.321 40.465 40.800 -0.024 0.000 0.900 78 D HN 0.448 nan 8.370 nan 0.000 0.531 79 A N 0.692 123.446 122.820 -0.109 0.000 2.488 79 A HA 0.114 4.442 4.320 0.014 0.000 0.249 79 A C 1.295 178.620 177.584 -0.432 0.000 1.083 79 A CA -0.077 51.845 52.037 -0.190 0.000 0.768 79 A CB 0.421 19.361 19.000 -0.099 0.000 1.017 79 A HN 0.075 nan 8.150 nan 0.000 0.496 80 R N 0.813 120.938 120.500 -0.625 0.000 2.128 80 R HA 0.084 4.432 4.340 0.014 0.000 0.211 80 R C 0.696 176.592 176.300 -0.674 0.000 1.067 80 R CA 1.624 57.073 56.100 -1.085 0.000 1.010 80 R CB 0.066 29.649 30.300 -1.195 0.000 0.922 80 R HN 0.971 nan 8.270 nan 0.000 0.457 81 H N -1.466 117.525 119.070 -0.132 0.000 2.312 81 H HA 0.125 4.689 4.556 0.013 0.000 0.215 81 H C 0.082 175.384 175.328 -0.044 0.000 0.870 81 H CA 0.331 56.344 56.048 -0.058 0.000 0.982 81 H CB 0.941 30.676 29.762 -0.044 0.000 1.330 81 H HN 0.034 nan 8.280 nan 0.000 0.399 82 T N 0.064 114.659 114.554 0.068 0.000 2.861 82 T HA 0.650 5.008 4.350 0.014 0.000 0.287 82 T C -0.906 173.796 174.700 0.004 0.000 1.003 82 T CA -0.787 61.328 62.100 0.024 0.000 0.977 82 T CB 2.226 71.106 68.868 0.019 0.000 0.996 82 T HN -0.016 nan 8.240 nan 0.000 0.448 83 V N 2.686 122.602 119.914 0.002 0.000 2.487 83 V HA 0.565 4.693 4.120 0.014 0.000 0.298 83 V C -0.936 175.170 176.094 0.021 0.000 1.028 83 V CA -0.662 61.650 62.300 0.020 0.000 0.860 83 V CB 1.732 33.574 31.823 0.030 0.000 0.991 83 V HN 1.011 nan 8.190 nan 0.000 0.427 84 D N 4.480 124.906 120.400 0.044 0.000 2.440 84 D HA 0.504 5.152 4.640 0.014 0.000 0.252 84 D C -0.729 175.644 176.300 0.122 0.000 1.180 84 D CA -0.130 53.909 54.000 0.066 0.000 0.894 84 D CB 1.289 42.117 40.800 0.048 0.000 1.111 84 D HN 0.411 nan 8.370 nan 0.000 0.544 85 I N 2.154 122.827 120.570 0.172 0.000 2.336 85 I HA 0.270 4.448 4.170 0.014 0.000 0.292 85 I C 0.521 176.784 176.117 0.243 0.000 0.991 85 I CA -0.507 60.906 61.300 0.189 0.000 1.227 85 I CB 1.539 39.657 38.000 0.197 0.000 1.366 85 I HN 0.209 nan 8.210 nan 0.000 0.466 86 S N 4.003 119.809 115.700 0.177 0.000 2.568 86 S HA 0.861 5.339 4.470 0.014 0.000 0.302 86 S C -0.536 174.115 174.600 0.084 0.000 1.082 86 S CA -0.597 57.693 58.200 0.150 0.000 1.009 86 S CB 2.272 65.557 63.200 0.141 0.000 1.069 86 S HN 0.601 nan 8.310 nan 0.000 0.500 87 S N 0.090 115.823 115.700 0.054 0.000 2.683 87 S HA 0.590 5.068 4.470 0.014 0.000 0.269 87 S C -2.229 172.384 174.600 0.022 0.000 1.165 87 S CA -0.681 57.523 58.200 0.007 0.000 0.840 87 S CB 0.884 64.069 63.200 -0.024 0.000 1.169 87 S HN 0.988 nan 8.310 nan 0.000 0.490 88 L N 2.685 123.937 121.223 0.048 0.000 2.309 88 L HA 0.866 5.214 4.340 0.014 0.000 0.282 88 L C 0.322 177.321 176.870 0.215 0.000 1.036 88 L CA -0.148 54.787 54.840 0.159 0.000 0.806 88 L CB 0.838 43.043 42.059 0.244 0.000 1.220 88 L HN 0.807 nan 8.230 nan 0.000 0.429 89 A N 6.449 129.287 122.820 0.031 0.000 2.498 89 A HA 0.482 4.810 4.320 0.014 0.000 0.239 89 A C -2.274 175.294 177.584 -0.028 0.000 1.068 89 A CA -0.770 51.200 52.037 -0.111 0.000 0.766 89 A CB -0.984 17.861 19.000 -0.257 0.000 1.003 89 A HN 0.677 nan 8.150 nan 0.000 0.497 90 P HA 0.194 nan 4.420 nan 0.000 0.270 90 P C -0.281 177.008 177.300 -0.019 0.000 1.223 90 P CA -0.163 62.863 63.100 -0.123 0.000 0.785 90 P CB 0.171 31.794 31.700 -0.128 0.000 0.923 91 F N 1.338 121.221 119.950 -0.112 0.000 2.628 91 F HA 0.054 4.589 4.527 0.012 0.000 0.362 91 F C -1.299 174.444 175.800 -0.094 0.000 1.148 91 F CA -0.815 56.981 58.000 -0.340 0.000 1.352 91 F CB -1.315 36.990 39.000 -1.158 0.000 1.081 91 F HN 0.244 nan 8.300 nan 0.000 0.605 92 P HA 0.016 nan 4.420 nan 0.000 0.262 92 P C -0.952 176.622 177.300 0.457 0.000 1.182 92 P CA 0.209 63.504 63.100 0.324 0.000 0.761 92 P CB 0.355 32.235 31.700 0.299 0.000 0.795 93 N N 1.239 120.213 118.700 0.457 0.000 2.966 93 N HA 0.588 5.336 4.740 0.014 0.000 0.314 93 N C 0.700 176.421 175.510 0.352 0.000 1.397 93 N CA -0.275 53.007 53.050 0.388 0.000 0.776 93 N CB -0.193 38.484 38.487 0.317 0.000 1.576 93 N HN 0.508 nan 8.380 nan 0.000 0.592 94 G N -0.474 108.458 108.800 0.219 0.000 2.661 94 G HA2 -0.314 3.654 3.960 0.014 0.000 0.327 94 G HA3 -0.314 3.654 3.960 0.014 0.000 0.327 94 G C 0.987 175.925 174.900 0.063 0.000 1.320 94 G CA 1.407 46.575 45.100 0.114 0.000 0.997 94 G HN 1.238 nan 8.290 nan 0.000 0.543 95 G N -1.095 107.662 108.800 -0.072 0.000 2.448 95 G HA2 0.115 4.083 3.960 0.014 0.000 0.219 95 G HA3 0.115 4.083 3.960 0.014 0.000 0.219 95 G C 1.633 176.472 174.900 -0.101 0.000 1.127 95 G CA 1.592 46.610 45.100 -0.137 0.000 0.766 95 G HN 0.462 nan 8.290 nan 0.000 0.552 96 F N 0.734 120.727 119.950 0.073 0.000 2.134 96 F HA 0.055 4.590 4.527 0.014 0.000 0.299 96 F C 2.497 178.363 175.800 0.110 0.000 1.097 96 F CA 1.287 59.331 58.000 0.075 0.000 1.264 96 F CB -0.452 38.593 39.000 0.076 0.000 1.001 96 F HN 0.205 nan 8.300 nan 0.000 0.479 97 E N 0.446 120.840 120.200 0.324 0.000 2.051 97 E HA -0.216 4.142 4.350 0.014 0.000 0.192 97 E C 1.697 178.383 176.600 0.142 0.000 0.991 97 E CA 1.536 58.084 56.400 0.247 0.000 0.799 97 E CB -0.074 29.772 29.700 0.243 0.000 0.748 97 E HN 0.273 nan 8.360 nan 0.000 0.449 98 D N 0.210 120.669 120.400 0.097 0.000 2.182 98 D HA -0.163 4.485 4.640 0.014 0.000 0.201 98 D C 1.740 178.073 176.300 0.055 0.000 0.986 98 D CA 1.164 55.196 54.000 0.054 0.000 0.847 98 D CB -0.330 40.486 40.800 0.025 0.000 0.942 98 D HN 0.272 nan 8.370 nan 0.000 0.467 99 A N 0.528 123.391 122.820 0.072 0.000 1.933 99 A HA -0.139 4.189 4.320 0.014 0.000 0.218 99 A C 2.487 180.118 177.584 0.079 0.000 1.175 99 A CA 1.300 53.381 52.037 0.072 0.000 0.628 99 A CB -0.572 18.486 19.000 0.097 0.000 0.814 99 A HN 0.175 nan 8.150 nan 0.000 0.444 100 V N -0.729 119.245 119.914 0.101 0.000 2.346 100 V HA -0.157 3.971 4.120 0.014 0.000 0.244 100 V C 2.533 178.665 176.094 0.065 0.000 1.037 100 V CA 1.712 64.070 62.300 0.098 0.000 1.029 100 V CB -0.742 31.166 31.823 0.141 0.000 0.663 100 V HN 0.344 nan 8.190 nan 0.000 0.454 101 V N 0.439 120.385 119.914 0.052 0.000 2.307 101 V HA -0.231 3.897 4.120 0.014 0.000 0.245 101 V C 2.319 178.427 176.094 0.024 0.000 1.045 101 V CA 2.188 64.504 62.300 0.026 0.000 1.024 101 V CB -0.746 31.083 31.823 0.011 0.000 0.651 101 V HN 0.511 nan 8.190 nan 0.000 0.449 102 D N 0.880 121.297 120.400 0.027 0.000 2.104 102 D HA -0.128 4.520 4.640 0.014 0.000 0.194 102 D C 2.227 178.544 176.300 0.027 0.000 0.994 102 D CA 1.721 55.735 54.000 0.023 0.000 0.830 102 D CB -0.811 40.002 40.800 0.023 0.000 0.959 102 D HN 0.444 nan 8.370 nan 0.000 0.452 103 G N 0.691 109.512 108.800 0.034 0.000 2.446 103 G HA2 -0.228 3.740 3.960 0.014 0.000 0.217 103 G HA3 -0.228 3.740 3.960 0.014 0.000 0.217 103 G C 1.773 176.693 174.900 0.033 0.000 1.168 103 G CA 0.563 45.684 45.100 0.035 0.000 0.771 103 G HN 0.261 nan 8.290 nan 0.000 0.551 104 L N -0.229 121.014 121.223 0.033 0.000 2.072 104 L HA 0.014 4.362 4.340 0.014 0.000 0.205 104 L C 2.934 179.821 176.870 0.029 0.000 1.079 104 L CA 1.179 56.037 54.840 0.030 0.000 0.752 104 L CB -0.290 41.785 42.059 0.026 0.000 0.906 104 L HN 0.143 nan 8.230 nan 0.000 0.436 105 K N 0.157 120.570 120.400 0.022 0.000 2.152 105 K HA -0.158 4.170 4.320 0.014 0.000 0.206 105 K C 2.200 178.814 176.600 0.024 0.000 1.048 105 K CA 1.341 57.639 56.287 0.018 0.000 0.933 105 K CB -0.263 32.244 32.500 0.011 0.000 0.721 105 K HN 0.304 nan 8.250 nan 0.000 0.447 106 A N 0.662 123.500 122.820 0.029 0.000 1.898 106 A HA -0.165 4.163 4.320 0.014 0.000 0.216 106 A C 2.204 179.821 177.584 0.055 0.000 1.181 106 A CA 1.872 53.929 52.037 0.034 0.000 0.620 106 A CB -0.664 18.355 19.000 0.031 0.000 0.819 106 A HN 0.265 nan 8.150 nan 0.000 0.442 107 S N -0.463 115.279 115.700 0.070 0.000 2.356 107 S HA -0.139 4.339 4.470 0.014 0.000 0.223 107 S C 1.910 176.602 174.600 0.152 0.000 1.032 107 S CA 1.761 60.042 58.200 0.134 0.000 1.005 107 S CB -0.501 62.744 63.200 0.076 0.000 0.867 107 S HN 0.297 nan 8.310 nan 0.000 0.449 108 V N 2.015 121.973 119.914 0.075 0.000 2.407 108 V HA -0.101 4.027 4.120 0.014 0.000 0.248 108 V C 2.818 178.912 176.094 -0.001 0.000 1.055 108 V CA 1.732 64.052 62.300 0.034 0.000 1.049 108 V CB -1.272 30.564 31.823 0.022 0.000 0.662 108 V HN 0.619 nan 8.190 nan 0.000 0.455 109 A N -0.129 122.695 122.820 0.007 0.000 2.014 109 A HA 0.102 4.430 4.320 0.014 0.000 0.218 109 A C 2.237 179.804 177.584 -0.030 0.000 1.163 109 A CA 1.370 53.401 52.037 -0.010 0.000 0.652 109 A CB -0.484 18.516 19.000 0.000 0.000 0.808 109 A HN 0.558 nan 8.150 nan 0.000 0.449 110 A N -1.585 121.225 122.820 -0.017 0.000 2.239 110 A HA 0.387 4.715 4.320 0.014 0.000 0.209 110 A C 1.722 179.123 177.584 -0.304 0.000 1.171 110 A CA 1.266 53.260 52.037 -0.071 0.000 0.768 110 A CB -0.908 18.135 19.000 0.071 0.000 0.790 110 A HN 1.809 nan 8.150 nan 0.000 0.478 111 G N -1.678 106.962 108.800 -0.267 0.000 2.159 111 G HA2 -0.174 3.794 3.960 0.014 0.000 0.227 111 G HA3 -0.174 3.794 3.960 0.014 0.000 0.227 111 G C 0.041 174.719 174.900 -0.371 0.000 0.986 111 G CA 0.159 45.075 45.100 -0.308 0.000 0.651 111 G HN 0.678 nan 8.290 nan 0.000 0.523 112 H N 0.142 119.209 119.070 -0.005 0.000 2.495 112 H HA 0.668 5.232 4.556 0.013 0.000 0.350 112 H C -0.193 175.139 175.328 0.007 0.000 1.202 112 H CA 0.205 56.252 56.048 -0.000 0.000 1.322 112 H CB 1.661 31.408 29.762 -0.026 0.000 1.544 112 H HN 0.086 nan 8.280 nan 0.000 0.565 113 S N 2.998 118.792 115.700 0.157 0.000 2.060 113 S HA 0.189 4.668 4.470 0.014 0.000 0.156 113 S C -2.487 172.163 174.600 0.083 0.000 1.690 113 S CA -1.060 57.192 58.200 0.088 0.000 1.238 113 S CB 0.617 63.852 63.200 0.059 0.000 1.150 113 S HN 0.442 nan 8.310 nan 0.000 0.437 114 P HA 0.195 nan 4.420 nan 0.000 0.271 114 P C -0.576 176.740 177.300 0.025 0.000 1.216 114 P CA -0.349 62.780 63.100 0.048 0.000 0.776 114 P CB 0.706 32.422 31.700 0.027 0.000 0.881 115 R N 1.420 121.929 120.500 0.015 0.000 2.308 115 R HA 0.482 4.830 4.340 0.014 0.000 0.305 115 R C -0.483 175.796 176.300 -0.035 0.000 1.053 115 R CA -0.734 55.354 56.100 -0.021 0.000 0.957 115 R CB 0.881 31.157 30.300 -0.039 0.000 1.022 115 R HN 0.291 nan 8.270 nan 0.000 0.461 116 V N 4.145 124.030 119.914 -0.048 0.000 2.531 116 V HA 0.408 4.536 4.120 0.014 0.000 0.301 116 V C -0.041 176.001 176.094 -0.086 0.000 1.034 116 V CA -0.914 61.365 62.300 -0.035 0.000 0.865 116 V CB 1.851 33.680 31.823 0.011 0.000 0.995 116 V HN 0.709 nan 8.190 nan 0.000 0.424 117 R N 4.619 125.048 120.500 -0.119 0.000 2.460 117 R HA 0.755 5.104 4.340 0.014 0.000 0.303 117 R C -1.193 175.220 176.300 0.187 0.000 0.968 117 R CA -0.595 55.398 56.100 -0.179 0.000 0.889 117 R CB 2.047 31.950 30.300 -0.661 0.000 1.123 117 R HN 0.608 nan 8.270 nan 0.000 0.455 118 I N 4.010 124.825 120.570 0.408 0.000 2.439 118 I HA 0.268 4.446 4.170 0.014 0.000 0.285 118 I C -1.186 175.351 176.117 0.699 0.000 1.021 118 I CA -0.896 60.712 61.300 0.513 0.000 1.091 118 I CB 1.856 40.115 38.000 0.431 0.000 1.242 118 I HN 0.262 nan 8.210 nan 0.000 0.439 119 L N 8.905 130.450 121.223 0.536 0.000 2.349 119 L HA 0.691 5.039 4.340 0.014 0.000 0.278 119 L C -0.577 176.340 176.870 0.078 0.000 0.996 119 L CA -0.542 54.443 54.840 0.242 0.000 0.825 119 L CB 1.767 43.787 42.059 -0.065 0.000 1.243 119 L HN 0.422 nan 8.230 nan 0.000 0.412 120 V N 1.906 121.779 119.914 -0.068 0.000 2.715 120 V HA 0.997 5.125 4.120 0.014 0.000 0.310 120 V C 0.299 176.319 176.094 -0.124 0.000 1.054 120 V CA -0.221 61.956 62.300 -0.205 0.000 0.928 120 V CB 1.361 32.837 31.823 -0.579 0.000 1.007 120 V HN 0.852 nan 8.190 nan 0.000 0.437 121 G N 1.961 110.756 108.800 -0.008 0.000 2.395 121 G HA2 0.711 4.680 3.960 0.014 0.000 0.283 121 G HA3 0.711 4.680 3.960 0.014 0.000 0.283 121 G C -0.335 174.508 174.900 -0.096 0.000 1.178 121 G CA -0.198 44.974 45.100 0.120 0.000 0.837 121 G HN 1.705 nan 8.290 nan 0.000 0.518 122 A N 0.955 123.631 122.820 -0.238 0.000 2.343 122 A HA 0.811 5.139 4.320 0.014 0.000 0.308 122 A C 0.330 177.405 177.584 -0.848 0.000 1.092 122 A CA -0.125 51.668 52.037 -0.406 0.000 0.751 122 A CB 1.216 20.183 19.000 -0.055 0.000 1.203 122 A HN 1.781 nan 8.150 nan 0.000 0.452 123 A N 4.147 126.116 122.820 -1.418 0.000 2.462 123 A HA 0.564 4.893 4.320 0.014 0.000 0.243 123 A C -1.070 175.977 177.584 -0.895 0.000 1.076 123 A CA -1.001 50.045 52.037 -1.652 0.000 0.773 123 A CB -0.122 18.040 19.000 -1.398 0.000 1.010 123 A HN 0.616 nan 8.150 nan 0.000 0.493 124 P HA -0.154 nan 4.420 nan 0.000 0.223 124 P C 1.027 178.113 177.300 -0.356 0.000 1.144 124 P CA 1.053 64.041 63.100 -0.186 0.000 0.783 124 P CB 0.161 31.873 31.700 0.020 0.000 0.771 125 I N -1.788 118.564 120.570 -0.364 0.000 3.136 125 I HA -0.007 4.171 4.170 0.014 0.000 0.262 125 I C 1.192 177.149 176.117 -0.266 0.000 1.132 125 I CA 0.235 61.393 61.300 -0.236 0.000 1.450 125 I CB -1.113 36.824 38.000 -0.105 0.000 1.315 125 I HN -0.116 nan 8.210 nan 0.000 0.460 126 Y N 3.953 123.976 120.300 -0.462 0.000 2.525 126 Y HA 0.055 4.613 4.550 0.012 0.000 0.337 126 Y C -0.231 175.411 175.900 -0.429 0.000 1.248 126 Y CA -0.643 57.242 58.100 -0.359 0.000 1.882 126 Y CB -1.256 37.022 38.460 -0.303 0.000 1.811 126 Y HN 0.317 nan 8.280 nan 0.000 0.434 127 H N 1.554 120.612 119.070 -0.020 0.000 2.854 127 H HA 0.461 5.025 4.556 0.013 0.000 0.275 127 H C -0.356 174.992 175.328 0.033 0.000 1.198 127 H CA -1.857 54.159 56.048 -0.052 0.000 1.489 127 H CB 0.918 30.578 29.762 -0.170 0.000 1.519 127 H HN 0.524 nan 8.280 nan 0.000 0.503 128 L N 1.076 122.400 121.223 0.169 0.000 5.014 128 L HA 0.189 4.537 4.340 0.014 0.000 0.507 128 L C -0.168 176.736 176.870 0.057 0.000 0.848 128 L CA 0.265 55.157 54.840 0.086 0.000 2.035 128 L CB -0.212 41.876 42.059 0.048 0.000 1.926 128 L HN 0.688 nan 8.230 nan 0.000 0.609 129 N N 0.776 119.526 118.700 0.084 0.000 2.692 129 N HA -0.211 4.537 4.740 0.014 0.000 0.261 129 N C 0.278 175.899 175.510 0.185 0.000 0.962 129 N CA 0.988 54.114 53.050 0.127 0.000 0.844 129 N CB -0.518 38.032 38.487 0.104 0.000 0.942 129 N HN 0.211 nan 8.380 nan 0.000 0.563 130 V N 1.752 121.803 119.914 0.228 0.000 2.299 130 V HA 0.210 4.338 4.120 0.014 0.000 0.255 130 V C -0.138 176.226 176.094 0.451 0.000 1.100 130 V CA -0.169 62.292 62.300 0.267 0.000 0.938 130 V CB 0.816 32.706 31.823 0.112 0.000 1.139 130 V HN -0.028 nan 8.190 nan 0.000 0.490 131 V N 9.229 129.415 119.914 0.454 0.000 2.419 131 V HA 0.339 4.468 4.120 0.014 0.000 0.287 131 V C -1.598 174.705 176.094 0.349 0.000 1.017 131 V CA -1.171 61.366 62.300 0.395 0.000 0.844 131 V CB 1.605 33.536 31.823 0.180 0.000 1.011 131 V HN 0.587 nan 8.190 nan 0.000 0.429 132 P HA -0.191 nan 4.420 nan 0.000 0.216 132 P C 1.869 179.217 177.300 0.079 0.000 1.153 132 P CA 1.995 65.230 63.100 0.224 0.000 0.858 132 P CB 0.263 32.167 31.700 0.341 0.000 0.789 133 S N -0.943 114.792 115.700 0.058 0.000 2.383 133 S HA -0.141 4.337 4.470 0.014 0.000 0.227 133 S C 2.141 176.742 174.600 0.002 0.000 1.026 133 S CA 0.729 58.932 58.200 0.007 0.000 0.981 133 S CB -0.791 62.387 63.200 -0.037 0.000 0.818 133 S HN 0.026 nan 8.310 nan 0.000 0.472 134 R N -0.694 119.825 120.500 0.032 0.000 2.073 134 R HA -0.031 4.317 4.340 0.014 0.000 0.229 134 R C 2.282 178.603 176.300 0.035 0.000 1.120 134 R CA 1.172 57.293 56.100 0.036 0.000 0.967 134 R CB -0.511 29.830 30.300 0.067 0.000 0.862 134 R HN 0.532 nan 8.270 nan 0.000 0.436 135 Y N 1.611 121.855 120.300 -0.093 0.000 2.145 135 Y HA -0.251 4.307 4.550 0.013 0.000 0.286 135 Y C 2.559 178.351 175.900 -0.180 0.000 1.145 135 Y CA 2.105 60.090 58.100 -0.191 0.000 1.148 135 Y CB -0.272 37.868 38.460 -0.535 0.000 0.981 135 Y HN -0.023 nan 8.280 nan 0.000 0.507 136 R N 0.253 120.674 120.500 -0.131 0.000 2.103 136 R HA -0.203 4.145 4.340 0.014 0.000 0.242 136 R C 1.540 177.752 176.300 -0.146 0.000 1.142 136 R CA 2.239 58.257 56.100 -0.136 0.000 0.960 136 R CB -0.527 29.748 30.300 -0.041 0.000 0.858 136 R HN 0.346 nan 8.270 nan 0.000 0.439 137 D N 0.181 120.518 120.400 -0.106 0.000 2.144 137 D HA -0.155 4.494 4.640 0.014 0.000 0.200 137 D C 1.720 177.955 176.300 -0.109 0.000 0.978 137 D CA 1.109 55.059 54.000 -0.083 0.000 0.833 137 D CB -0.137 40.633 40.800 -0.051 0.000 0.961 137 D HN 0.458 nan 8.370 nan 0.000 0.470 138 E N 0.288 120.395 120.200 -0.155 0.000 2.028 138 E HA -0.130 4.228 4.350 0.014 0.000 0.191 138 E C 2.260 178.736 176.600 -0.207 0.000 0.988 138 E CA 0.553 56.851 56.400 -0.170 0.000 0.799 138 E CB -0.073 29.514 29.700 -0.188 0.000 0.755 138 E HN 0.191 nan 8.360 nan 0.000 0.447 139 L N 0.728 121.756 121.223 -0.324 0.000 2.042 139 L HA -0.237 4.111 4.340 0.014 0.000 0.210 139 L C 2.619 179.408 176.870 -0.136 0.000 1.076 139 L CA 1.115 55.806 54.840 -0.248 0.000 0.749 139 L CB -0.496 41.393 42.059 -0.282 0.000 0.893 139 L HN 0.275 nan 8.230 nan 0.000 0.432 140 I N -0.124 120.375 120.570 -0.119 0.000 2.163 140 I HA -0.234 3.945 4.170 0.014 0.000 0.243 140 I C 2.682 178.763 176.117 -0.060 0.000 1.085 140 I CA 1.563 62.819 61.300 -0.073 0.000 1.347 140 I CB -0.937 37.028 38.000 -0.059 0.000 1.044 140 I HN 0.290 nan 8.210 nan 0.000 0.408 141 G N 0.827 109.588 108.800 -0.065 0.000 2.446 141 G HA2 -0.253 3.715 3.960 0.014 0.000 0.217 141 G HA3 -0.253 3.715 3.960 0.014 0.000 0.217 141 G C 1.721 176.595 174.900 -0.043 0.000 1.168 141 G CA 0.703 45.774 45.100 -0.048 0.000 0.771 141 G HN 0.319 nan 8.290 nan 0.000 0.551 142 K N -0.236 120.132 120.400 -0.055 0.000 2.209 142 K HA 0.112 4.440 4.320 0.014 0.000 0.204 142 K C 2.381 178.961 176.600 -0.033 0.000 1.048 142 K CA 0.501 56.762 56.287 -0.043 0.000 0.940 142 K CB -0.189 32.279 32.500 -0.054 0.000 0.729 142 K HN 0.265 nan 8.250 nan 0.000 0.451 143 L N -0.111 121.088 121.223 -0.039 0.000 2.395 143 L HA -0.029 4.319 4.340 0.014 0.000 0.218 143 L C 1.367 178.226 176.870 -0.019 0.000 1.130 143 L CA 0.460 55.284 54.840 -0.026 0.000 0.826 143 L CB -0.634 41.408 42.059 -0.029 0.000 0.941 143 L HN 0.424 nan 8.230 nan 0.000 0.451 144 G N 0.111 108.898 108.800 -0.021 0.000 2.550 144 G HA2 -0.429 3.539 3.960 0.014 0.000 0.277 144 G HA3 -0.429 3.539 3.960 0.014 0.000 0.277 144 G C 0.837 175.728 174.900 -0.015 0.000 1.190 144 G CA 0.347 45.437 45.100 -0.016 0.000 0.971 144 G HN 0.328 nan 8.290 nan 0.000 0.559 145 A N -0.286 122.527 122.820 -0.011 0.000 2.066 145 A HA 0.461 4.789 4.320 0.014 0.000 0.218 145 A C 2.897 180.475 177.584 -0.009 0.000 1.157 145 A CA 2.631 54.662 52.037 -0.010 0.000 0.670 145 A CB -0.830 18.164 19.000 -0.009 0.000 0.804 145 A HN 2.279 nan 8.150 nan 0.000 0.453 146 A N 0.146 122.962 122.820 -0.007 0.000 2.024 146 A HA 0.102 4.430 4.320 0.014 0.000 0.220 146 A C 2.398 179.979 177.584 -0.005 0.000 1.164 146 A CA 1.869 53.904 52.037 -0.004 0.000 0.643 146 A CB -0.840 18.159 19.000 -0.001 0.000 0.806 146 A HN 1.050 nan 8.150 nan 0.000 0.451 147 A N -0.336 122.477 122.820 -0.011 0.000 1.940 147 A HA 0.046 4.374 4.320 0.014 0.000 0.219 147 A C 2.403 179.981 177.584 -0.010 0.000 1.176 147 A CA 1.921 53.949 52.037 -0.014 0.000 0.631 147 A CB -1.432 17.555 19.000 -0.022 0.000 0.814 147 A HN 0.841 nan 8.150 nan 0.000 0.446 148 G N -0.538 108.257 108.800 -0.009 0.000 2.485 148 G HA2 -0.235 3.733 3.960 0.014 0.000 0.221 148 G HA3 -0.235 3.733 3.960 0.014 0.000 0.221 148 G C 1.462 176.360 174.900 -0.002 0.000 1.115 148 G CA 1.155 46.251 45.100 -0.006 0.000 0.751 148 G HN 0.494 nan 8.290 nan 0.000 0.567 149 K N -0.297 120.104 120.400 0.002 0.000 2.353 149 K HA 0.223 4.551 4.320 0.014 0.000 0.195 149 K C 0.108 176.716 176.600 0.014 0.000 1.031 149 K CA -0.022 56.271 56.287 0.010 0.000 1.079 149 K CB 1.168 33.676 32.500 0.013 0.000 0.857 149 K HN 0.200 nan 8.250 nan 0.000 0.535 150 V N 2.577 122.495 119.914 0.007 0.000 2.370 150 V HA 0.158 4.286 4.120 0.014 0.000 0.279 150 V C -0.066 176.026 176.094 -0.003 0.000 1.029 150 V CA -0.480 61.823 62.300 0.006 0.000 0.870 150 V CB 1.427 33.253 31.823 0.004 0.000 0.984 150 V HN 0.039 nan 8.190 nan 0.000 0.451 151 T N 7.384 121.934 114.554 -0.006 0.000 2.727 151 T HA 0.532 4.890 4.350 0.014 0.000 0.298 151 T C -0.158 174.526 174.700 -0.025 0.000 0.942 151 T CA -0.083 62.007 62.100 -0.016 0.000 0.997 151 T CB 0.099 68.955 68.868 -0.021 0.000 0.917 151 T HN 0.327 nan 8.240 nan 0.000 0.487 152 L N 4.390 125.601 121.223 -0.019 0.000 2.309 152 L HA 0.485 4.833 4.340 0.014 0.000 0.282 152 L C 0.560 177.422 176.870 -0.014 0.000 1.036 152 L CA -0.634 54.200 54.840 -0.011 0.000 0.806 152 L CB 1.116 43.176 42.059 0.003 0.000 1.220 152 L HN 0.567 nan 8.230 nan 0.000 0.429 153 N N 1.951 120.634 118.700 -0.029 0.000 2.399 153 N HA 0.503 5.251 4.740 0.014 0.000 0.284 153 N C -1.522 174.106 175.510 0.196 0.000 1.025 153 N CA -0.457 52.601 53.050 0.014 0.000 0.885 153 N CB 2.658 40.988 38.487 -0.261 0.000 1.339 153 N HN 0.154 nan 8.380 nan 0.000 0.487 154 V N 1.689 121.784 119.914 0.301 0.000 2.443 154 V HA 0.737 4.865 4.120 0.014 0.000 0.293 154 V C -0.501 175.869 176.094 0.461 0.000 1.021 154 V CA -0.618 61.903 62.300 0.368 0.000 0.848 154 V CB 1.166 33.078 31.823 0.147 0.000 0.998 154 V HN 0.747 nan 8.190 nan 0.000 0.424 155 A N 3.620 126.782 122.820 0.569 0.000 2.414 155 A HA 0.951 5.279 4.320 0.014 0.000 0.306 155 A C -0.199 177.586 177.584 0.335 0.000 1.054 155 A CA -0.478 51.791 52.037 0.386 0.000 0.724 155 A CB 2.062 21.153 19.000 0.152 0.000 1.267 155 A HN 1.031 nan 8.150 nan 0.000 0.418 156 S N 0.667 116.523 115.700 0.259 0.000 2.503 156 S HA 0.828 5.306 4.470 0.014 0.000 0.301 156 S C -0.478 174.110 174.600 -0.019 0.000 1.087 156 S CA -0.554 57.674 58.200 0.046 0.000 1.042 156 S CB 1.151 64.363 63.200 0.021 0.000 1.043 156 S HN 1.625 nan 8.310 nan 0.000 0.489 157 M N 0.018 119.590 119.600 -0.048 0.000 2.421 157 M HA 0.711 5.199 4.480 0.014 0.000 0.287 157 M C -1.408 174.935 176.300 0.073 0.000 1.183 157 M CA -0.393 54.932 55.300 0.042 0.000 0.916 157 M CB 1.714 34.399 32.600 0.143 0.000 1.701 157 M HN 0.393 nan 8.290 nan 0.000 0.470 158 T N 1.045 115.677 114.554 0.130 0.000 2.906 158 T HA 0.432 4.790 4.350 0.014 0.000 0.302 158 T C 0.891 175.722 174.700 0.218 0.000 1.002 158 T CA -0.141 62.071 62.100 0.186 0.000 0.988 158 T CB 1.395 70.344 68.868 0.136 0.000 0.972 158 T HN 0.939 nan 8.240 nan 0.000 0.447 159 T N -0.436 114.154 114.554 0.060 0.000 2.942 159 T HA 0.128 4.486 4.350 0.014 0.000 0.265 159 T C 0.932 175.683 174.700 0.086 0.000 1.062 159 T CA 0.324 62.346 62.100 -0.130 0.000 1.139 159 T CB 0.194 68.693 68.868 -0.615 0.000 0.883 159 T HN 0.451 nan 8.240 nan 0.000 0.468 160 S N -0.268 115.505 115.700 0.122 0.000 2.668 160 S HA 0.436 4.914 4.470 0.014 0.000 0.277 160 S C 0.344 175.064 174.600 0.200 0.000 1.170 160 S CA -0.921 57.367 58.200 0.146 0.000 0.994 160 S CB 1.883 65.149 63.200 0.110 0.000 1.051 160 S HN 0.350 nan 8.310 nan 0.000 0.484 161 K N 2.011 122.515 120.400 0.174 0.000 2.007 161 K HA -0.075 4.253 4.320 0.014 0.000 0.206 161 K C 1.982 178.686 176.600 0.174 0.000 1.047 161 K CA 2.118 58.509 56.287 0.173 0.000 0.937 161 K CB -0.533 32.042 32.500 0.125 0.000 0.718 161 K HN 0.812 nan 8.250 nan 0.000 0.438 162 T N -1.997 112.642 114.554 0.142 0.000 2.867 162 T HA -0.011 4.347 4.350 0.014 0.000 0.268 162 T C 1.867 176.672 174.700 0.175 0.000 1.057 162 T CA 1.334 63.514 62.100 0.134 0.000 1.136 162 T CB -0.034 68.892 68.868 0.097 0.000 0.874 162 T HN -0.032 nan 8.240 nan 0.000 0.466 163 S N 0.404 116.216 115.700 0.188 0.000 2.572 163 S HA 0.459 4.937 4.470 0.014 0.000 0.228 163 S C 0.325 175.133 174.600 0.346 0.000 0.963 163 S CA -0.468 57.892 58.200 0.266 0.000 0.939 163 S CB -0.801 62.484 63.200 0.142 0.000 0.804 163 S HN 0.580 nan 8.310 nan 0.000 0.480 164 L N 1.418 122.806 121.223 0.274 0.000 3.713 164 L HA -0.166 4.182 4.340 0.014 0.000 0.499 164 L C 0.010 176.790 176.870 -0.151 0.000 1.281 164 L CA -0.105 54.879 54.840 0.240 0.000 0.796 164 L CB -2.002 40.154 42.059 0.162 0.000 1.535 164 L HN 0.208 nan 8.230 nan 0.000 0.851 165 S N 0.243 115.936 115.700 -0.012 0.000 2.502 165 S HA 0.824 5.302 4.470 0.014 0.000 0.304 165 S C -0.779 173.814 174.600 -0.011 0.000 1.097 165 S CA -0.364 57.706 58.200 -0.216 0.000 1.045 165 S CB 1.219 64.390 63.200 -0.047 0.000 1.019 165 S HN 0.411 nan 8.310 nan 0.000 0.481 166 W N 2.634 123.910 121.300 -0.040 0.000 2.937 166 W HA 0.514 5.181 4.660 0.012 0.000 0.360 166 W C -1.192 175.280 176.519 -0.078 0.000 1.215 166 W CA -0.990 56.305 57.345 -0.084 0.000 1.183 166 W CB -0.075 29.352 29.460 -0.055 0.000 1.458 166 W HN 0.554 nan 8.180 nan 0.000 0.574 167 N N 0.521 119.315 118.700 0.157 0.000 2.497 167 N HA 0.429 5.177 4.740 0.014 0.000 0.268 167 N C 0.217 175.832 175.510 0.175 0.000 1.171 167 N CA 0.951 54.047 53.050 0.076 0.000 0.948 167 N CB 1.444 39.944 38.487 0.022 0.000 1.069 167 N HN 0.785 nan 8.380 nan 0.000 0.460 168 A N 2.158 125.026 122.820 0.081 0.000 2.551 168 A HA 0.166 4.494 4.320 0.014 0.000 0.252 168 A C 0.400 178.029 177.584 0.075 0.000 1.199 168 A CA -0.123 51.979 52.037 0.108 0.000 0.972 168 A CB -0.618 18.434 19.000 0.087 0.000 1.153 168 A HN 0.716 nan 8.150 nan 0.000 0.559 169 S N 0.672 116.428 115.700 0.094 0.000 2.561 169 S HA 0.211 4.689 4.470 0.014 0.000 0.294 169 S C -0.235 174.410 174.600 0.075 0.000 1.294 169 S CA 0.376 58.642 58.200 0.110 0.000 1.055 169 S CB 0.205 63.529 63.200 0.206 0.000 0.819 169 S HN 0.320 nan 8.310 nan 0.000 0.503 170 K N 2.646 123.077 120.400 0.051 0.000 2.626 170 K HA 0.499 4.827 4.320 0.014 0.000 0.223 170 K C -1.215 175.402 176.600 0.029 0.000 0.992 170 K CA -0.060 56.233 56.287 0.011 0.000 1.024 170 K CB 1.104 33.582 32.500 -0.037 0.000 1.225 170 K HN 0.583 nan 8.250 nan 0.000 0.498 171 L N 3.169 124.418 121.223 0.044 0.000 2.408 171 L HA 0.540 4.888 4.340 0.014 0.000 0.268 171 L C -1.578 175.333 176.870 0.068 0.000 0.986 171 L CA -1.277 53.591 54.840 0.046 0.000 0.820 171 L CB 1.876 43.932 42.059 -0.005 0.000 1.303 171 L HN 0.377 nan 8.230 nan 0.000 0.411 172 L N 5.227 126.496 121.223 0.077 0.000 2.415 172 L HA 0.631 4.980 4.340 0.014 0.000 0.268 172 L C -1.351 175.571 176.870 0.086 0.000 0.984 172 L CA -0.305 54.586 54.840 0.086 0.000 0.853 172 L CB 1.665 43.777 42.059 0.089 0.000 1.215 172 L HN 0.218 nan 8.230 nan 0.000 0.419 173 V N 5.203 125.162 119.914 0.075 0.000 2.495 173 V HA 0.692 4.821 4.120 0.014 0.000 0.298 173 V C -0.428 175.697 176.094 0.052 0.000 1.031 173 V CA -0.736 61.605 62.300 0.069 0.000 0.871 173 V CB 1.923 33.780 31.823 0.056 0.000 0.988 173 V HN 0.453 nan 8.190 nan 0.000 0.432 174 V N 2.984 122.924 119.914 0.044 0.000 2.487 174 V HA 0.463 4.591 4.120 0.014 0.000 0.298 174 V C -0.028 176.075 176.094 0.013 0.000 1.028 174 V CA -0.555 61.758 62.300 0.021 0.000 0.860 174 V CB 1.561 33.391 31.823 0.013 0.000 0.991 174 V HN 0.985 nan 8.190 nan 0.000 0.427 175 D N 3.621 124.026 120.400 0.009 0.000 2.811 175 D HA -0.207 4.441 4.640 0.014 0.000 0.231 175 D C 1.460 177.785 176.300 0.040 0.000 1.157 175 D CA 1.579 55.595 54.000 0.028 0.000 0.716 175 D CB -1.107 39.688 40.800 -0.009 0.000 1.077 175 D HN 1.434 nan 8.370 nan 0.000 0.428 176 G N -0.308 108.514 108.800 0.036 0.000 2.309 176 G HA2 -0.441 3.527 3.960 0.014 0.000 0.286 176 G HA3 -0.441 3.527 3.960 0.014 0.000 0.286 176 G C 1.083 176.007 174.900 0.039 0.000 1.002 176 G CA 1.431 46.554 45.100 0.039 0.000 0.786 176 G HN 0.537 nan 8.290 nan 0.000 0.511 177 K N -1.132 119.287 120.400 0.033 0.000 2.387 177 K HA 0.189 4.517 4.320 0.014 0.000 0.197 177 K C 1.193 177.809 176.600 0.025 0.000 1.127 177 K CA 1.118 57.419 56.287 0.023 0.000 0.950 177 K CB 0.653 33.160 32.500 0.012 0.000 1.017 177 K HN 0.507 nan 8.250 nan 0.000 0.519 178 T N -1.371 113.205 114.554 0.037 0.000 2.893 178 T HA 0.795 5.153 4.350 0.014 0.000 0.291 178 T C -1.002 173.749 174.700 0.085 0.000 1.028 178 T CA -0.999 61.131 62.100 0.050 0.000 0.995 178 T CB 2.243 71.137 68.868 0.043 0.000 1.051 178 T HN 0.019 nan 8.240 nan 0.000 0.470 179 A N 2.603 125.496 122.820 0.121 0.000 2.455 179 A HA 0.791 5.119 4.320 0.014 0.000 0.300 179 A C -0.976 176.736 177.584 0.213 0.000 1.040 179 A CA -0.932 51.221 52.037 0.194 0.000 0.697 179 A CB 1.099 20.308 19.000 0.347 0.000 1.265 179 A HN 0.927 nan 8.150 nan 0.000 0.407 180 I N 1.579 122.260 120.570 0.185 0.000 2.418 180 I HA 0.616 4.795 4.170 0.014 0.000 0.287 180 I C -0.042 176.167 176.117 0.154 0.000 1.008 180 I CA -0.211 61.192 61.300 0.171 0.000 1.104 180 I CB 2.357 40.432 38.000 0.125 0.000 1.264 180 I HN 0.671 nan 8.210 nan 0.000 0.438 181 T N 3.282 117.933 114.554 0.161 0.000 2.821 181 T HA 0.863 5.221 4.350 0.014 0.000 0.306 181 T C -0.462 174.270 174.700 0.053 0.000 1.313 181 T CA 0.154 62.311 62.100 0.095 0.000 1.012 181 T CB 2.005 70.919 68.868 0.077 0.000 1.298 181 T HN 1.012 nan 8.240 nan 0.000 0.502 182 G N 0.598 109.400 108.800 0.003 0.000 2.403 182 G HA2 0.368 4.336 3.960 0.014 0.000 0.223 182 G HA3 0.368 4.336 3.960 0.014 0.000 0.223 182 G C 0.444 175.347 174.900 0.005 0.000 1.287 182 G CA 0.318 45.413 45.100 -0.009 0.000 0.982 182 G HN 1.233 nan 8.290 nan 0.000 0.471 183 G N -0.569 108.257 108.800 0.044 0.000 3.126 183 G HA2 0.443 4.411 3.960 0.014 0.000 0.224 183 G HA3 0.443 4.411 3.960 0.014 0.000 0.224 183 G C 0.531 175.520 174.900 0.147 0.000 1.142 183 G CA 0.002 45.158 45.100 0.093 0.000 0.759 183 G HN 0.573 nan 8.290 nan 0.000 0.550 184 I N 2.498 123.052 120.570 -0.027 0.000 2.379 184 I HA 0.138 4.316 4.170 0.014 0.000 0.290 184 I C -0.384 175.396 176.117 -0.562 0.000 1.063 184 I CA -0.644 60.465 61.300 -0.319 0.000 1.351 184 I CB 0.651 38.444 38.000 -0.346 0.000 1.410 184 I HN -0.042 nan 8.210 nan 0.000 0.505 185 N N 4.666 122.874 118.700 -0.819 0.000 2.515 185 N HA 0.174 4.922 4.740 0.014 0.000 0.279 185 N C 0.613 175.323 175.510 -1.334 0.000 1.164 185 N CA -0.221 52.185 53.050 -1.074 0.000 0.982 185 N CB 1.588 38.934 38.487 -1.902 0.000 1.170 185 N HN 0.732 nan 8.380 nan 0.000 0.474 186 G N 0.816 109.031 108.800 -0.975 0.000 3.455 186 G HA2 0.086 4.054 3.960 0.014 0.000 0.250 186 G HA3 0.086 4.054 3.960 0.014 0.000 0.250 186 G C -0.774 174.094 174.900 -0.053 0.000 1.071 186 G CA -0.359 44.088 45.100 -1.089 0.000 1.812 186 G HN 0.446 nan 8.290 nan 0.000 0.643 187 W N 1.530 122.758 121.300 -0.120 0.000 2.309 187 W HA 0.323 4.991 4.660 0.013 0.000 0.332 187 W C 1.239 178.077 176.519 0.533 0.000 0.962 187 W CA -2.266 55.249 57.345 0.284 0.000 1.497 187 W CB 0.426 30.044 29.460 0.263 0.000 1.308 187 W HN 0.446 nan 8.180 nan 0.000 0.384 188 K N 0.148 120.946 120.400 0.663 0.000 2.103 188 K HA -0.206 4.122 4.320 0.014 0.000 0.207 188 K C 0.628 177.392 176.600 0.273 0.000 1.048 188 K CA 1.726 58.270 56.287 0.427 0.000 0.930 188 K CB 0.129 32.769 32.500 0.233 0.000 0.716 188 K HN 0.043 nan 8.250 nan 0.000 0.444 189 D N 1.230 121.775 120.400 0.241 0.000 2.183 189 D HA -0.093 4.555 4.640 0.014 0.000 0.203 189 D C 1.251 177.603 176.300 0.086 0.000 0.969 189 D CA 1.014 55.088 54.000 0.122 0.000 0.842 189 D CB -0.069 40.793 40.800 0.102 0.000 0.957 189 D HN 0.304 nan 8.370 nan 0.000 0.484 190 D N -1.074 119.444 120.400 0.197 0.000 2.183 190 D HA -0.039 4.609 4.640 0.014 0.000 0.205 190 D C 1.552 177.768 176.300 -0.140 0.000 0.962 190 D CA 0.686 54.714 54.000 0.048 0.000 0.849 190 D CB -0.052 40.848 40.800 0.166 0.000 0.978 190 D HN 0.319 nan 8.370 nan 0.000 0.488 191 Y N -0.511 119.873 120.300 0.140 0.000 2.522 191 Y HA 0.257 4.815 4.550 0.013 0.000 0.277 191 Y C 1.921 177.816 175.900 -0.009 0.000 1.104 191 Y CA 0.312 58.476 58.100 0.106 0.000 1.260 191 Y CB 0.536 39.203 38.460 0.346 0.000 1.151 191 Y HN -0.133 nan 8.280 nan 0.000 0.539 192 L N -1.538 119.752 121.223 0.112 0.000 2.675 192 L HA 0.177 4.525 4.340 0.014 0.000 0.178 192 L C -0.075 176.743 176.870 -0.086 0.000 1.135 192 L CA 0.057 54.877 54.840 -0.034 0.000 0.855 192 L CB -0.011 41.979 42.059 -0.115 0.000 1.235 192 L HN -0.179 nan 8.230 nan 0.000 0.499 193 D N 1.834 122.197 120.400 -0.061 0.000 2.741 193 D HA 0.205 4.853 4.640 0.014 0.000 0.233 193 D C -0.028 176.191 176.300 -0.135 0.000 1.160 193 D CA 0.510 54.461 54.000 -0.081 0.000 1.003 193 D CB 0.674 41.453 40.800 -0.035 0.000 1.064 193 D HN 0.058 nan 8.370 nan 0.000 0.503 194 T N -1.858 112.560 114.554 -0.226 0.000 2.886 194 T HA 0.457 4.815 4.350 0.014 0.000 0.330 194 T C -0.259 174.180 174.700 -0.435 0.000 1.488 194 T CA -0.489 61.377 62.100 -0.390 0.000 1.054 194 T CB 1.467 69.977 68.868 -0.597 0.000 1.348 194 T HN -0.002 nan 8.240 nan 0.000 0.489 195 A N 2.213 124.777 122.820 -0.426 0.000 2.275 195 A HA 0.257 4.585 4.320 0.014 0.000 0.212 195 A C 0.827 178.051 177.584 -0.600 0.000 1.201 195 A CA 0.288 52.103 52.037 -0.372 0.000 0.843 195 A CB -0.343 18.561 19.000 -0.160 0.000 0.873 195 A HN 0.840 nan 8.150 nan 0.000 0.492 196 H N -0.758 117.912 119.070 -0.667 0.000 2.386 196 H HA 0.316 4.880 4.556 0.013 0.000 0.232 196 H C -3.112 171.755 175.328 -0.769 0.000 1.416 196 H CA -2.327 53.069 56.048 -1.085 0.000 1.285 196 H CB -0.733 28.793 29.762 -0.393 0.000 1.625 196 H HN 0.156 nan 8.280 nan 0.000 0.521 197 P HA -0.051 nan 4.420 nan 0.000 0.266 197 P C 0.749 177.959 177.300 -0.149 0.000 1.195 197 P CA -0.160 62.685 63.100 -0.425 0.000 0.768 197 P CB 1.737 33.225 31.700 -0.354 0.000 0.838 198 V N 3.284 123.016 119.914 -0.304 0.000 2.599 198 V HA -0.020 4.108 4.120 0.014 0.000 0.300 198 V C 1.010 177.011 176.094 -0.154 0.000 1.034 198 V CA 0.640 62.699 62.300 -0.402 0.000 1.115 198 V CB 0.090 31.317 31.823 -0.994 0.000 0.934 198 V HN 0.554 nan 8.190 nan 0.000 0.485 199 S N 4.292 119.927 115.700 -0.109 0.000 2.452 199 S HA 0.475 4.953 4.470 0.014 0.000 0.284 199 S C -0.305 174.273 174.600 -0.037 0.000 1.171 199 S CA -0.429 57.704 58.200 -0.111 0.000 1.064 199 S CB 0.709 63.642 63.200 -0.445 0.000 0.967 199 S HN 0.867 nan 8.310 nan 0.000 0.484 200 D N 0.676 121.212 120.400 0.226 0.000 2.643 200 D HA 0.574 5.223 4.640 0.014 0.000 0.283 200 D C -1.660 174.829 176.300 0.315 0.000 1.242 200 D CA -0.339 53.904 54.000 0.405 0.000 0.863 200 D CB 2.178 43.271 40.800 0.488 0.000 1.382 200 D HN 0.356 nan 8.370 nan 0.000 0.444 201 V N 1.328 121.358 119.914 0.194 0.000 2.777 201 V HA 0.490 4.618 4.120 0.014 0.000 0.306 201 V C -1.589 174.533 176.094 0.046 0.000 1.112 201 V CA -0.501 61.821 62.300 0.037 0.000 0.917 201 V CB 2.058 33.768 31.823 -0.188 0.000 1.018 201 V HN 0.522 nan 8.190 nan 0.000 0.426 202 D N 4.848 125.279 120.400 0.053 0.000 2.449 202 D HA 0.768 5.416 4.640 0.014 0.000 0.250 202 D C -0.235 176.135 176.300 0.117 0.000 1.050 202 D CA -0.284 53.760 54.000 0.073 0.000 1.024 202 D CB 1.891 42.734 40.800 0.072 0.000 1.218 202 D HN 0.795 nan 8.370 nan 0.000 0.566 203 M N -1.075 118.638 119.600 0.188 0.000 2.631 203 M HA 0.875 5.363 4.480 0.014 0.000 0.288 203 M C -1.707 174.758 176.300 0.275 0.000 1.260 203 M CA -1.149 54.337 55.300 0.309 0.000 0.842 203 M CB 2.551 35.425 32.600 0.456 0.000 1.743 203 M HN 0.243 nan 8.290 nan 0.000 0.461 204 A N 2.594 125.596 122.820 0.303 0.000 2.343 204 A HA 0.822 5.150 4.320 0.014 0.000 0.308 204 A C -1.195 176.486 177.584 0.163 0.000 1.092 204 A CA -0.665 51.502 52.037 0.217 0.000 0.751 204 A CB 1.148 20.266 19.000 0.197 0.000 1.203 204 A HN 0.996 nan 8.150 nan 0.000 0.452 205 L N 0.376 121.645 121.223 0.078 0.000 2.341 205 L HA 1.016 5.364 4.340 0.014 0.000 0.254 205 L C -0.150 176.708 176.870 -0.020 0.000 1.040 205 L CA -0.602 54.218 54.840 -0.035 0.000 0.837 205 L CB 1.511 43.444 42.059 -0.210 0.000 1.425 205 L HN 0.814 nan 8.230 nan 0.000 0.414 206 S N -1.425 114.243 115.700 -0.053 0.000 2.595 206 S HA 1.054 5.532 4.470 0.014 0.000 0.281 206 S C -0.134 174.432 174.600 -0.057 0.000 1.117 206 S CA -0.163 58.018 58.200 -0.031 0.000 0.873 206 S CB 1.322 64.515 63.200 -0.012 0.000 1.108 206 S HN 2.466 nan 8.310 nan 0.000 0.477 207 G N 1.071 109.850 108.800 -0.035 0.000 2.343 207 G HA2 0.192 4.160 3.960 0.014 0.000 0.465 207 G HA3 0.192 4.160 3.960 0.014 0.000 0.465 207 G C -2.866 172.020 174.900 -0.025 0.000 1.282 207 G CA -0.255 44.821 45.100 -0.042 0.000 0.996 207 G HN 0.532 nan 8.290 nan 0.000 0.521 208 P HA -0.079 nan 4.420 nan 0.000 0.217 208 P C 2.030 179.341 177.300 0.019 0.000 1.148 208 P CA 2.864 65.962 63.100 -0.004 0.000 0.834 208 P CB 0.024 31.717 31.700 -0.012 0.000 0.783 209 A N -0.604 122.211 122.820 -0.008 0.000 2.119 209 A HA 0.065 4.393 4.320 0.014 0.000 0.217 209 A C 2.212 179.896 177.584 0.167 0.000 1.153 209 A CA 1.454 53.517 52.037 0.044 0.000 0.692 209 A CB -1.228 17.661 19.000 -0.185 0.000 0.799 209 A HN 0.206 nan 8.150 nan 0.000 0.458 210 A N -0.023 122.852 122.820 0.092 0.000 1.968 210 A HA -0.082 4.247 4.320 0.014 0.000 0.217 210 A C 2.195 179.853 177.584 0.124 0.000 1.169 210 A CA 1.406 53.529 52.037 0.144 0.000 0.638 210 A CB -0.400 18.647 19.000 0.078 0.000 0.812 210 A HN 0.547 nan 8.150 nan 0.000 0.446 211 R N -0.193 120.359 120.500 0.088 0.000 2.090 211 R HA -0.066 4.282 4.340 0.014 0.000 0.228 211 R C 2.130 178.482 176.300 0.087 0.000 1.110 211 R CA 1.575 57.715 56.100 0.068 0.000 0.973 211 R CB -0.294 30.031 30.300 0.042 0.000 0.869 211 R HN 0.433 nan 8.270 nan 0.000 0.440 212 S N 0.659 116.437 115.700 0.130 0.000 2.374 212 S HA -0.184 4.294 4.470 0.014 0.000 0.227 212 S C 1.959 176.666 174.600 0.177 0.000 1.037 212 S CA 1.398 59.702 58.200 0.174 0.000 1.024 212 S CB -0.231 63.124 63.200 0.257 0.000 0.861 212 S HN 0.581 nan 8.310 nan 0.000 0.456 213 A N 1.250 124.167 122.820 0.162 0.000 1.930 213 A HA 0.143 4.471 4.320 0.014 0.000 0.217 213 A C 2.321 179.833 177.584 -0.119 0.000 1.175 213 A CA 1.563 53.492 52.037 -0.181 0.000 0.627 213 A CB -1.252 17.645 19.000 -0.172 0.000 0.815 213 A HN 0.521 nan 8.150 nan 0.000 0.443 214 G N -0.282 108.521 108.800 0.004 0.000 2.408 214 G HA2 -0.182 3.786 3.960 0.014 0.000 0.217 214 G HA3 -0.182 3.786 3.960 0.014 0.000 0.217 214 G C 1.630 176.553 174.900 0.038 0.000 1.150 214 G CA 0.899 46.013 45.100 0.023 0.000 0.776 214 G HN 0.455 nan 8.290 nan 0.000 0.542 215 K N -0.325 120.105 120.400 0.049 0.000 2.097 215 K HA -0.105 4.223 4.320 0.014 0.000 0.206 215 K C 2.113 178.753 176.600 0.067 0.000 1.049 215 K CA 1.009 57.328 56.287 0.053 0.000 0.933 215 K CB -0.416 32.117 32.500 0.055 0.000 0.717 215 K HN 0.479 nan 8.250 nan 0.000 0.442 216 Y N 1.887 122.152 120.300 -0.059 0.000 2.165 216 Y HA -0.187 4.371 4.550 0.014 0.000 0.286 216 Y C 1.963 177.835 175.900 -0.047 0.000 1.155 216 Y CA 1.327 59.382 58.100 -0.075 0.000 1.164 216 Y CB -0.256 38.075 38.460 -0.215 0.000 0.978 216 Y HN -0.076 nan 8.280 nan 0.000 0.513 217 L N -0.357 120.845 121.223 -0.034 0.000 2.109 217 L HA -0.166 4.182 4.340 0.014 0.000 0.207 217 L C 1.980 178.955 176.870 0.176 0.000 1.086 217 L CA 1.308 56.174 54.840 0.044 0.000 0.760 217 L CB -0.529 41.627 42.059 0.162 0.000 0.910 217 L HN 0.134 nan 8.230 nan 0.000 0.437 218 D N -0.504 119.965 120.400 0.115 0.000 2.144 218 D HA -0.160 4.488 4.640 0.014 0.000 0.199 218 D C 2.155 178.515 176.300 0.099 0.000 0.984 218 D CA 1.430 55.508 54.000 0.130 0.000 0.834 218 D CB -0.118 40.719 40.800 0.062 0.000 0.955 218 D HN 0.171 nan 8.370 nan 0.000 0.465 219 T N 0.720 115.270 114.554 -0.006 0.000 2.684 219 T HA -0.117 4.241 4.350 0.014 0.000 0.267 219 T C 2.095 176.764 174.700 -0.052 0.000 1.036 219 T CA 0.675 62.745 62.100 -0.050 0.000 1.148 219 T CB -0.263 68.521 68.868 -0.141 0.000 0.863 219 T HN 0.151 nan 8.240 nan 0.000 0.436 220 L N -1.289 119.837 121.223 -0.162 0.000 2.056 220 L HA -0.077 4.271 4.340 0.014 0.000 0.207 220 L C 2.437 179.271 176.870 -0.059 0.000 1.078 220 L CA 1.511 56.245 54.840 -0.177 0.000 0.749 220 L CB -0.533 41.326 42.059 -0.333 0.000 0.901 220 L HN 0.396 nan 8.230 nan 0.000 0.433 221 W N 0.629 121.951 121.300 0.036 0.000 2.467 221 W HA -0.153 4.515 4.660 0.014 0.000 0.275 221 W C 2.288 178.852 176.519 0.075 0.000 1.239 221 W CA 1.082 58.471 57.345 0.073 0.000 1.266 221 W CB -0.272 29.215 29.460 0.044 0.000 1.112 221 W HN 0.288 nan 8.180 nan 0.000 0.576 222 D N -0.725 119.834 120.400 0.264 0.000 2.087 222 D HA -0.320 4.328 4.640 0.014 0.000 0.192 222 D C 1.870 178.262 176.300 0.153 0.000 0.993 222 D CA 1.993 56.098 54.000 0.175 0.000 0.828 222 D CB -0.674 40.202 40.800 0.126 0.000 0.968 222 D HN 0.162 nan 8.370 nan 0.000 0.448 223 W N 0.608 121.908 121.300 0.001 0.000 2.338 223 W HA -0.187 4.481 4.660 0.014 0.000 0.304 223 W C 2.383 178.888 176.519 -0.024 0.000 1.212 223 W CA 2.465 59.797 57.345 -0.023 0.000 1.264 223 W CB -0.590 28.835 29.460 -0.058 0.000 1.142 223 W HN -0.050 nan 8.180 nan 0.000 0.512 224 T N -0.282 114.377 114.554 0.176 0.000 2.737 224 T HA -0.237 4.121 4.350 0.014 0.000 0.265 224 T C 1.789 176.475 174.700 -0.023 0.000 1.038 224 T CA 1.735 63.846 62.100 0.018 0.000 1.144 224 T CB -1.027 67.755 68.868 -0.143 0.000 0.866 224 T HN 0.204 nan 8.240 nan 0.000 0.434 225 c N 1.370 120.044 118.600 0.125 0.000 2.413 225 c HA -0.053 4.525 4.570 0.014 0.000 0.276 225 c C 2.915 176.991 174.090 -0.022 0.000 1.236 225 c CA 0.593 56.989 56.329 0.113 0.000 1.735 225 c CB -1.004 41.608 42.510 0.169 0.000 2.031 225 c HN 0.530 nan 8.230 nan 0.000 0.474 226 R N 0.796 121.239 120.500 -0.095 0.000 2.073 226 R HA -0.082 4.266 4.340 0.014 0.000 0.234 226 R C 1.625 177.767 176.300 -0.263 0.000 1.134 226 R CA 1.245 57.248 56.100 -0.162 0.000 0.952 226 R CB -0.397 29.794 30.300 -0.182 0.000 0.850 226 R HN 0.654 nan 8.270 nan 0.000 0.433 227 N N 0.430 118.840 118.700 -0.483 0.000 2.449 227 N HA 0.006 4.755 4.740 0.014 0.000 0.191 227 N C 0.932 176.265 175.510 -0.295 0.000 1.161 227 N CA 0.242 52.956 53.050 -0.561 0.000 0.863 227 N CB 0.515 38.251 38.487 -1.252 0.000 0.980 227 N HN 0.210 nan 8.380 nan 0.000 0.458 228 A N 0.928 123.652 122.820 -0.159 0.000 2.172 228 A HA -0.089 4.239 4.320 0.014 0.000 0.216 228 A C 2.232 179.805 177.584 -0.017 0.000 1.154 228 A CA 0.971 52.988 52.037 -0.033 0.000 0.701 228 A CB -0.333 18.686 19.000 0.033 0.000 0.789 228 A HN 0.355 nan 8.150 nan 0.000 0.465 229 S N -0.852 114.814 115.700 -0.057 0.000 2.507 229 S HA -0.066 4.412 4.470 0.014 0.000 0.235 229 S C 0.408 174.995 174.600 -0.022 0.000 0.988 229 S CA 0.849 59.028 58.200 -0.035 0.000 0.944 229 S CB -0.119 63.050 63.200 -0.050 0.000 0.762 229 S HN 0.422 nan 8.310 nan 0.000 0.526 230 D N 1.444 121.823 120.400 -0.035 0.000 2.408 230 D HA 0.423 5.071 4.640 0.014 0.000 0.261 230 D C -2.399 173.919 176.300 0.031 0.000 1.190 230 D CA -2.457 51.538 54.000 -0.008 0.000 0.910 230 D CB 1.721 42.501 40.800 -0.032 0.000 1.097 230 D HN -0.042 nan 8.370 nan 0.000 0.522 231 P HA -0.044 nan 4.420 nan 0.000 0.225 231 P C 1.043 178.422 177.300 0.133 0.000 1.148 231 P CA 0.706 63.932 63.100 0.210 0.000 0.779 231 P CB 0.332 32.188 31.700 0.259 0.000 0.780 232 A N -0.409 122.445 122.820 0.058 0.000 2.067 232 A HA -0.171 4.157 4.320 0.014 0.000 0.219 232 A C 2.003 179.545 177.584 -0.069 0.000 1.158 232 A CA 1.517 53.546 52.037 -0.013 0.000 0.661 232 A CB -0.638 18.378 19.000 0.027 0.000 0.801 232 A HN 0.198 nan 8.150 nan 0.000 0.452 233 K N -1.688 118.697 120.400 -0.026 0.000 2.306 233 K HA 0.286 4.614 4.320 0.014 0.000 0.200 233 K C -0.528 176.074 176.600 0.003 0.000 1.083 233 K CA 0.430 56.741 56.287 0.040 0.000 0.959 233 K CB 0.652 33.225 32.500 0.122 0.000 0.994 233 K HN 0.182 nan 8.250 nan 0.000 0.492 234 V N 1.664 121.561 119.914 -0.027 0.000 2.531 234 V HA 0.266 4.394 4.120 0.014 0.000 0.301 234 V C -1.412 174.778 176.094 0.161 0.000 1.034 234 V CA -0.862 61.451 62.300 0.021 0.000 0.865 234 V CB 1.673 33.498 31.823 0.002 0.000 0.995 234 V HN 0.173 nan 8.190 nan 0.000 0.424 235 W N 5.362 126.678 121.300 0.026 0.000 2.478 235 W HA 0.783 5.447 4.660 0.007 0.000 0.318 235 W C -0.563 176.014 176.519 0.096 0.000 1.062 235 W CA -1.211 56.162 57.345 0.048 0.000 1.210 235 W CB 1.618 31.106 29.460 0.046 0.000 1.325 235 W HN 0.417 nan 8.180 nan 0.000 0.496 236 L N 2.871 124.278 121.223 0.307 0.000 2.431 236 L HA 0.889 5.237 4.340 0.014 0.000 0.266 236 L C -1.088 175.888 176.870 0.177 0.000 0.978 236 L CA -0.542 54.447 54.840 0.249 0.000 0.822 236 L CB 1.906 44.095 42.059 0.216 0.000 1.310 236 L HN 0.407 nan 8.230 nan 0.000 0.409 237 A N 2.440 125.366 122.820 0.176 0.000 2.375 237 A HA 0.739 5.067 4.320 0.014 0.000 0.295 237 A C -0.411 177.233 177.584 0.100 0.000 1.066 237 A CA 0.045 52.144 52.037 0.105 0.000 0.722 237 A CB 1.179 20.223 19.000 0.074 0.000 1.206 237 A HN 0.827 nan 8.150 nan 0.000 0.435 238 T N -0.341 114.253 114.554 0.066 0.000 2.952 238 T HA 0.807 5.165 4.350 0.014 0.000 0.286 238 T C 0.344 175.056 174.700 0.019 0.000 1.024 238 T CA 0.038 62.165 62.100 0.044 0.000 1.029 238 T CB 1.441 70.329 68.868 0.034 0.000 1.094 238 T HN 1.576 nan 8.240 nan 0.000 0.515 239 S N 0.745 116.449 115.700 0.006 0.000 2.621 239 S HA 0.491 4.970 4.470 0.014 0.000 0.302 239 S C 0.026 174.623 174.600 -0.006 0.000 1.093 239 S CA -0.774 57.424 58.200 -0.004 0.000 1.017 239 S CB 0.630 63.823 63.200 -0.011 0.000 1.077 239 S HN 0.884 nan 8.310 nan 0.000 0.517 240 N N 0.353 119.048 118.700 -0.008 0.000 2.741 240 N HA -0.176 4.572 4.740 0.014 0.000 0.250 240 N C 0.941 176.447 175.510 -0.006 0.000 1.115 240 N CA 1.372 54.417 53.050 -0.008 0.000 0.724 240 N CB -1.781 36.701 38.487 -0.008 0.000 1.090 240 N HN 1.840 nan 8.380 nan 0.000 0.558 241 G N -1.474 107.324 108.800 -0.004 0.000 2.175 241 G HA2 -0.211 3.757 3.960 0.014 0.000 0.265 241 G HA3 -0.211 3.757 3.960 0.014 0.000 0.265 241 G C 0.372 175.271 174.900 -0.002 0.000 0.979 241 G CA 1.173 46.272 45.100 -0.002 0.000 0.663 241 G HN 1.241 nan 8.290 nan 0.000 0.533 242 A N 0.112 122.930 122.820 -0.003 0.000 2.445 242 A HA 0.694 5.022 4.320 0.014 0.000 0.242 242 A C 1.040 178.624 177.584 -0.001 0.000 1.075 242 A CA 0.908 52.941 52.037 -0.006 0.000 0.777 242 A CB 0.390 19.381 19.000 -0.014 0.000 1.013 242 A HN 1.048 nan 8.150 nan 0.000 0.493 243 S N -0.163 115.535 115.700 -0.004 0.000 2.608 243 S HA 0.213 4.692 4.470 0.014 0.000 0.261 243 S C 0.484 175.085 174.600 0.002 0.000 1.314 243 S CA -0.436 57.766 58.200 0.004 0.000 0.992 243 S CB 0.575 63.775 63.200 -0.000 0.000 0.935 243 S HN 0.885 nan 8.310 nan 0.000 0.564 244 c N 2.064 120.679 118.600 0.025 0.000 2.644 244 c HA 0.355 4.933 4.570 0.014 0.000 0.417 244 c C 0.336 174.427 174.090 0.001 0.000 1.304 244 c CA -0.281 56.074 56.329 0.044 0.000 2.035 244 c CB -1.107 41.470 42.510 0.111 0.000 2.673 244 c HN 0.737 nan 8.230 nan 0.000 0.602 245 M N 8.277 127.837 119.600 -0.066 0.000 2.741 245 M HA 0.236 4.724 4.480 0.014 0.000 0.283 245 M C -1.435 174.820 176.300 -0.075 0.000 1.176 245 M CA -1.323 53.912 55.300 -0.108 0.000 1.139 245 M CB 1.086 33.569 32.600 -0.196 0.000 1.234 245 M HN 0.557 nan 8.290 nan 0.000 0.497 246 P HA -0.107 nan 4.420 nan 0.000 0.222 246 P C 0.895 178.240 177.300 0.074 0.000 1.147 246 P CA 1.229 64.405 63.100 0.126 0.000 0.790 246 P CB 0.415 32.175 31.700 0.100 0.000 0.780 247 S N -2.189 113.515 115.700 0.007 0.000 2.819 247 S HA 0.265 4.743 4.470 0.014 0.000 0.249 247 S C 1.345 175.926 174.600 -0.031 0.000 1.030 247 S CA -0.494 57.706 58.200 -0.000 0.000 1.052 247 S CB -0.792 62.409 63.200 0.001 0.000 1.017 247 S HN -0.123 nan 8.310 nan 0.000 0.576 248 M N 1.348 120.905 119.600 -0.072 0.000 2.103 248 M HA -0.180 4.308 4.480 0.014 0.000 0.255 248 M C 1.704 177.973 176.300 -0.051 0.000 1.074 248 M CA 1.927 57.175 55.300 -0.087 0.000 1.090 248 M CB -0.109 32.397 32.600 -0.158 0.000 1.325 248 M HN 0.274 nan 8.290 nan 0.000 0.403 249 E N -0.400 119.780 120.200 -0.033 0.000 2.072 249 E HA -0.224 4.134 4.350 0.014 0.000 0.190 249 E C 1.942 178.538 176.600 -0.006 0.000 0.982 249 E CA 1.133 57.527 56.400 -0.010 0.000 0.803 249 E CB -0.462 29.243 29.700 0.008 0.000 0.755 249 E HN 0.558 nan 8.360 nan 0.000 0.453 250 Q N 1.532 121.328 119.800 -0.006 0.000 2.096 250 Q HA -0.157 4.191 4.340 0.014 0.000 0.204 250 Q C 1.463 177.452 176.000 -0.018 0.000 0.982 250 Q CA 1.608 57.406 55.803 -0.008 0.000 0.850 250 Q CB -0.268 28.467 28.738 -0.005 0.000 0.901 250 Q HN 0.147 nan 8.270 nan 0.000 0.422 251 D N -0.352 120.032 120.400 -0.026 0.000 2.182 251 D HA -0.168 4.480 4.640 0.014 0.000 0.201 251 D C 1.609 177.879 176.300 -0.049 0.000 0.986 251 D CA 1.469 55.446 54.000 -0.039 0.000 0.847 251 D CB -0.038 40.734 40.800 -0.046 0.000 0.942 251 D HN 0.443 nan 8.370 nan 0.000 0.467 252 E N 0.540 120.718 120.200 -0.037 0.000 2.190 252 E HA 0.099 4.458 4.350 0.014 0.000 0.191 252 E C 1.869 178.456 176.600 -0.022 0.000 0.978 252 E CA 0.884 57.262 56.400 -0.037 0.000 0.839 252 E CB -0.143 29.557 29.700 -0.000 0.000 0.787 252 E HN 0.073 nan 8.360 nan 0.000 0.473 253 A N 0.699 123.513 122.820 -0.011 0.000 1.933 253 A HA 0.123 4.451 4.320 0.014 0.000 0.218 253 A C 1.955 179.530 177.584 -0.015 0.000 1.175 253 A CA 1.743 53.777 52.037 -0.006 0.000 0.628 253 A CB -1.451 17.548 19.000 -0.002 0.000 0.814 253 A HN 0.510 nan 8.150 nan 0.000 0.444 254 G N -1.321 107.464 108.800 -0.024 0.000 2.685 254 G HA2 -0.380 3.588 3.960 0.014 0.000 0.329 254 G HA3 -0.380 3.588 3.960 0.014 0.000 0.329 254 G C 1.104 175.993 174.900 -0.017 0.000 1.271 254 G CA 1.383 46.468 45.100 -0.025 0.000 1.003 254 G HN 1.366 nan 8.290 nan 0.000 0.549 255 S N 0.181 115.872 115.700 -0.016 0.000 2.701 255 S HA 0.659 5.137 4.470 0.014 0.000 0.242 255 S C 0.635 175.229 174.600 -0.010 0.000 1.025 255 S CA 1.188 59.380 58.200 -0.013 0.000 1.016 255 S CB -0.396 62.796 63.200 -0.013 0.000 0.977 255 S HN 1.718 nan 8.310 nan 0.000 0.546 256 A N 2.823 125.638 122.820 -0.008 0.000 2.306 256 A HA 0.800 5.128 4.320 0.014 0.000 0.330 256 A C -2.441 175.140 177.584 -0.005 0.000 1.146 256 A CA -1.551 50.483 52.037 -0.005 0.000 0.827 256 A CB 0.215 19.213 19.000 -0.003 0.000 1.178 256 A HN 0.425 nan 8.150 nan 0.000 0.490 257 P HA 0.360 nan 4.420 nan 0.000 0.272 257 P C -0.228 177.071 177.300 -0.002 0.000 1.223 257 P CA -0.032 63.065 63.100 -0.005 0.000 0.784 257 P CB 0.766 32.462 31.700 -0.006 0.000 0.923 258 A N 2.496 125.315 122.820 -0.001 0.000 2.488 258 A HA 0.143 4.472 4.320 0.014 0.000 0.249 258 A C 0.524 178.106 177.584 -0.003 0.000 1.083 258 A CA -0.176 51.861 52.037 0.001 0.000 0.768 258 A CB -0.281 18.721 19.000 0.003 0.000 1.017 258 A HN 0.460 nan 8.150 nan 0.000 0.496 259 E N 2.562 122.761 120.200 -0.003 0.000 2.283 259 E HA 0.357 4.716 4.350 0.014 0.000 0.278 259 E C -2.360 174.233 176.600 -0.011 0.000 1.027 259 E CA -1.860 54.536 56.400 -0.005 0.000 0.843 259 E CB 0.500 30.199 29.700 -0.002 0.000 1.062 259 E HN 0.412 nan 8.360 nan 0.000 0.401 260 P HA 0.077 nan 4.420 nan 0.000 0.271 260 P C 0.458 177.745 177.300 -0.021 0.000 1.218 260 P CA 0.014 63.101 63.100 -0.022 0.000 0.780 260 P CB 0.560 32.246 31.700 -0.023 0.000 0.901 261 T N -1.794 112.743 114.554 -0.029 0.000 3.003 261 T HA 0.526 4.884 4.350 0.014 0.000 0.261 261 T C 0.700 175.381 174.700 -0.031 0.000 1.003 261 T CA 0.246 62.331 62.100 -0.026 0.000 0.917 261 T CB 0.054 68.906 68.868 -0.027 0.000 1.084 261 T HN 0.559 nan 8.240 nan 0.000 0.522 262 G N 1.670 110.446 108.800 -0.040 0.000 2.510 262 G HA2 0.445 4.413 3.960 0.014 0.000 0.277 262 G HA3 0.445 4.413 3.960 0.014 0.000 0.277 262 G C -1.619 173.252 174.900 -0.049 0.000 1.223 262 G CA -0.023 45.050 45.100 -0.046 0.000 0.887 262 G HN 0.180 nan 8.290 nan 0.000 0.485 263 D N -0.761 119.604 120.400 -0.059 0.000 2.620 263 D HA 0.257 4.905 4.640 0.014 0.000 0.260 263 D C 0.082 176.337 176.300 -0.074 0.000 1.367 263 D CA -0.154 53.813 54.000 -0.056 0.000 0.805 263 D CB 0.484 41.259 40.800 -0.041 0.000 1.096 263 D HN 0.341 nan 8.370 nan 0.000 0.488 264 V N 2.198 122.049 119.914 -0.104 0.000 2.432 264 V HA 0.448 4.576 4.120 0.014 0.000 0.275 264 V C -2.232 173.782 176.094 -0.133 0.000 1.043 264 V CA -1.356 60.862 62.300 -0.137 0.000 0.925 264 V CB 1.420 33.124 31.823 -0.199 0.000 0.985 264 V HN 0.101 nan 8.190 nan 0.000 0.466 265 P HA 0.529 nan 4.420 nan 0.000 0.294 265 P C -1.141 176.078 177.300 -0.135 0.000 1.294 265 P CA -0.504 62.535 63.100 -0.102 0.000 0.827 265 P CB 2.090 33.750 31.700 -0.067 0.000 0.992 266 V N 4.520 124.364 119.914 -0.116 0.000 2.789 266 V HA 0.433 4.561 4.120 0.014 0.000 0.311 266 V C 0.152 176.227 176.094 -0.032 0.000 1.073 266 V CA -0.672 61.547 62.300 -0.135 0.000 0.921 266 V CB 2.350 34.031 31.823 -0.237 0.000 1.009 266 V HN 0.408 nan 8.190 nan 0.000 0.426 267 I N 3.453 124.019 120.570 -0.007 0.000 2.355 267 I HA 0.642 4.820 4.170 0.014 0.000 0.288 267 I C 0.388 176.577 176.117 0.120 0.000 0.999 267 I CA -0.497 60.849 61.300 0.078 0.000 1.163 267 I CB 1.708 39.733 38.000 0.041 0.000 1.316 267 I HN 0.714 nan 8.210 nan 0.000 0.454 268 A N 6.539 129.483 122.820 0.208 0.000 2.301 268 A HA 0.693 5.021 4.320 0.014 0.000 0.298 268 A C -0.704 176.890 177.584 0.017 0.000 1.185 268 A CA -0.413 51.691 52.037 0.111 0.000 0.830 268 A CB 1.254 20.527 19.000 0.455 0.000 1.112 268 A HN 0.524 nan 8.150 nan 0.000 0.508 269 V N 2.622 122.336 119.914 -0.333 0.000 2.777 269 V HA 0.807 4.935 4.120 0.014 0.000 0.306 269 V C 0.157 176.055 176.094 -0.326 0.000 1.112 269 V CA 0.592 62.814 62.300 -0.130 0.000 0.917 269 V CB 1.883 33.655 31.823 -0.085 0.000 1.018 269 V HN 1.474 nan 8.190 nan 0.000 0.426 270 G N 3.475 112.238 108.800 -0.060 0.000 3.222 270 G HA2 0.912 4.880 3.960 0.014 0.000 0.263 270 G HA3 0.912 4.880 3.960 0.014 0.000 0.263 270 G C -0.295 174.659 174.900 0.090 0.000 1.312 270 G CA -0.378 44.688 45.100 -0.056 0.000 0.934 270 G HN 1.447 nan 8.290 nan 0.000 0.577 271 G N -1.769 107.143 108.800 0.185 0.000 2.690 271 G HA2 0.493 4.461 3.960 0.014 0.000 0.291 271 G HA3 0.493 4.461 3.960 0.014 0.000 0.291 271 G C -0.237 174.714 174.900 0.085 0.000 1.403 271 G CA -0.640 44.499 45.100 0.064 0.000 0.864 271 G HN 0.539 nan 8.290 nan 0.000 0.480 272 L N 1.063 122.249 121.223 -0.060 0.000 2.640 272 L HA 0.324 4.672 4.340 0.014 0.000 0.230 272 L C 1.799 178.575 176.870 -0.156 0.000 1.123 272 L CA 0.558 55.330 54.840 -0.114 0.000 0.900 272 L CB -0.372 41.612 42.059 -0.123 0.000 1.146 272 L HN 1.087 nan 8.230 nan 0.000 0.484 273 G N 0.798 109.521 108.800 -0.129 0.000 2.566 273 G HA2 -0.277 3.691 3.960 0.014 0.000 0.280 273 G HA3 -0.277 3.691 3.960 0.014 0.000 0.280 273 G C -0.248 174.676 174.900 0.039 0.000 1.225 273 G CA -0.151 44.937 45.100 -0.020 0.000 0.966 273 G HN -0.018 nan 8.290 nan 0.000 0.560 274 V N 0.550 120.487 119.914 0.038 0.000 2.604 274 V HA 0.703 4.831 4.120 0.014 0.000 0.305 274 V C 1.178 177.241 176.094 -0.052 0.000 1.043 274 V CA 1.015 63.334 62.300 0.032 0.000 0.888 274 V CB 0.795 32.657 31.823 0.064 0.000 0.995 274 V HN 2.839 nan 8.190 nan 0.000 0.429 275 G N 3.366 112.139 108.800 -0.045 0.000 2.163 275 G HA2 -0.181 3.787 3.960 0.014 0.000 0.213 275 G HA3 -0.181 3.787 3.960 0.014 0.000 0.213 275 G C 0.380 175.231 174.900 -0.082 0.000 0.991 275 G CA 0.371 45.462 45.100 -0.015 0.000 0.653 275 G HN 0.582 nan 8.290 nan 0.000 0.518 276 I N -0.867 119.574 120.570 -0.216 0.000 2.899 276 I HA 0.357 4.536 4.170 0.014 0.000 0.257 276 I C 1.065 177.178 176.117 -0.006 0.000 1.115 276 I CA 0.645 61.786 61.300 -0.265 0.000 1.451 276 I CB 0.396 38.118 38.000 -0.462 0.000 1.251 276 I HN 0.042 nan 8.210 nan 0.000 0.456 277 K N 0.934 121.313 120.400 -0.035 0.000 2.501 277 K HA 0.199 4.527 4.320 0.014 0.000 0.252 277 K C 0.339 176.936 176.600 -0.005 0.000 0.934 277 K CA -0.414 55.875 56.287 0.005 0.000 0.797 277 K CB 2.446 34.944 32.500 -0.004 0.000 1.270 277 K HN -0.126 nan 8.250 nan 0.000 0.431 278 E N 0.504 120.712 120.200 0.013 0.000 2.046 278 E HA -0.049 4.309 4.350 0.014 0.000 0.190 278 E C 0.058 176.665 176.600 0.012 0.000 0.982 278 E CA 1.068 57.476 56.400 0.012 0.000 0.800 278 E CB 0.345 30.055 29.700 0.017 0.000 0.756 278 E HN 0.675 nan 8.360 nan 0.000 0.449 279 S N -0.435 115.273 115.700 0.013 0.000 2.588 279 S HA 0.193 4.671 4.470 0.014 0.000 0.269 279 S C -1.229 173.382 174.600 0.019 0.000 1.157 279 S CA -1.057 57.154 58.200 0.018 0.000 0.824 279 S CB 1.800 65.019 63.200 0.032 0.000 1.126 279 S HN -0.083 nan 8.310 nan 0.000 0.464 280 D N 1.956 122.370 120.400 0.024 0.000 2.402 280 D HA 0.388 5.036 4.640 0.014 0.000 0.235 280 D C -1.277 175.044 176.300 0.035 0.000 1.226 280 D CA -2.176 51.843 54.000 0.031 0.000 0.918 280 D CB 1.045 41.868 40.800 0.038 0.000 1.043 280 D HN 0.246 nan 8.370 nan 0.000 0.506 281 P HA -0.087 nan 4.420 nan 0.000 0.234 281 P C 0.765 178.081 177.300 0.027 0.000 1.167 281 P CA 0.588 63.705 63.100 0.027 0.000 0.763 281 P CB 0.105 31.818 31.700 0.022 0.000 0.835 282 S N -2.666 113.052 115.700 0.029 0.000 2.540 282 S HA 0.139 4.617 4.470 0.014 0.000 0.218 282 S C 0.856 175.475 174.600 0.032 0.000 0.977 282 S CA -0.379 57.837 58.200 0.027 0.000 0.918 282 S CB -0.578 62.638 63.200 0.025 0.000 0.806 282 S HN 0.023 nan 8.310 nan 0.000 0.496 283 S N 0.264 115.988 115.700 0.040 0.000 2.537 283 S HA 0.587 5.065 4.470 0.014 0.000 0.275 283 S C 1.096 175.718 174.600 0.037 0.000 1.272 283 S CA -0.131 58.099 58.200 0.050 0.000 1.050 283 S CB 0.962 64.204 63.200 0.071 0.000 0.961 283 S HN 0.481 nan 8.310 nan 0.000 0.496 284 G N 2.826 111.631 108.800 0.009 0.000 3.088 284 G HA2 0.045 4.013 3.960 0.014 0.000 0.217 284 G HA3 0.045 4.013 3.960 0.014 0.000 0.217 284 G C 0.132 174.948 174.900 -0.139 0.000 1.159 284 G CA -0.310 44.749 45.100 -0.068 0.000 0.760 284 G HN 0.788 nan 8.290 nan 0.000 0.550 285 Y N 3.600 123.804 120.300 -0.160 0.000 2.910 285 Y HA -0.019 4.539 4.550 0.013 0.000 0.358 285 Y C 0.321 176.207 175.900 -0.024 0.000 1.293 285 Y CA -0.361 57.669 58.100 -0.117 0.000 1.630 285 Y CB -0.077 38.358 38.460 -0.041 0.000 1.178 285 Y HN 0.469 nan 8.280 nan 0.000 0.550 286 H N 6.125 124.983 119.070 -0.352 0.000 2.439 286 H HA 0.481 5.045 4.556 0.013 0.000 0.228 286 H C -2.921 172.171 175.328 -0.393 0.000 1.423 286 H CA -3.063 52.791 56.048 -0.324 0.000 1.386 286 H CB -0.641 29.042 29.762 -0.132 0.000 1.641 286 H HN 0.384 nan 8.280 nan 0.000 0.508 287 P HA 0.272 nan 4.420 nan 0.000 0.278 287 P C -0.573 176.622 177.300 -0.175 0.000 1.266 287 P CA -0.478 62.429 63.100 -0.320 0.000 0.807 287 P CB 1.551 32.995 31.700 -0.426 0.000 1.094 288 D N 0.089 120.423 120.400 -0.110 0.000 2.411 288 D HA 0.271 4.919 4.640 0.014 0.000 0.225 288 D C -0.079 176.194 176.300 -0.044 0.000 1.156 288 D CA -0.141 53.814 54.000 -0.075 0.000 0.874 288 D CB -0.026 40.737 40.800 -0.062 0.000 1.034 288 D HN 0.180 nan 8.370 nan 0.000 0.502 289 L N 4.481 125.679 121.223 -0.041 0.000 2.439 289 L HA 0.315 4.663 4.340 0.014 0.000 0.269 289 L C -1.383 175.482 176.870 -0.008 0.000 1.179 289 L CA -1.620 53.210 54.840 -0.017 0.000 0.828 289 L CB 0.214 42.262 42.059 -0.018 0.000 1.106 289 L HN 0.304 nan 8.230 nan 0.000 0.467 290 P HA -0.004 nan 4.420 nan 0.000 0.272 290 P C -0.016 177.282 177.300 -0.002 0.000 1.254 290 P CA -0.127 62.980 63.100 0.011 0.000 0.795 290 P CB 0.787 32.505 31.700 0.029 0.000 1.022 291 T N -3.595 110.960 114.554 0.002 0.000 3.186 291 T HA 0.294 4.652 4.350 0.014 0.000 0.292 291 T C 0.239 174.936 174.700 -0.005 0.000 0.915 291 T CA 0.158 62.254 62.100 -0.007 0.000 0.902 291 T CB -0.444 68.420 68.868 -0.006 0.000 1.192 291 T HN 0.527 nan 8.240 nan 0.000 0.563 292 A N 4.307 127.132 122.820 0.008 0.000 2.410 292 A HA 0.612 4.940 4.320 0.014 0.000 0.292 292 A C -2.004 175.580 177.584 0.001 0.000 1.232 292 A CA -1.092 50.955 52.037 0.017 0.000 0.893 292 A CB -0.191 18.838 19.000 0.048 0.000 1.131 292 A HN 0.485 nan 8.150 nan 0.000 0.530 293 P HA 0.146 nan 4.420 nan 0.000 0.269 293 P C -0.837 176.458 177.300 -0.007 0.000 1.209 293 P CA -0.121 62.966 63.100 -0.021 0.000 0.776 293 P CB 0.791 32.483 31.700 -0.013 0.000 0.876 294 D N 0.495 120.873 120.400 -0.036 0.000 2.210 294 D HA 0.149 4.797 4.640 0.014 0.000 0.249 294 D C 0.704 177.006 176.300 0.004 0.000 1.078 294 D CA -0.248 53.748 54.000 -0.006 0.000 0.875 294 D CB 0.933 41.668 40.800 -0.109 0.000 1.175 294 D HN 0.107 nan 8.370 nan 0.000 0.440 295 T N 2.462 117.033 114.554 0.028 0.000 3.067 295 T HA 0.010 4.368 4.350 0.014 0.000 0.257 295 T C 1.382 176.089 174.700 0.012 0.000 1.105 295 T CA 0.638 62.748 62.100 0.015 0.000 1.104 295 T CB 0.210 69.089 68.868 0.017 0.000 0.925 295 T HN 0.215 nan 8.240 nan 0.000 0.498 296 K N 0.078 120.490 120.400 0.020 0.000 2.166 296 K HA 0.229 4.557 4.320 0.014 0.000 0.201 296 K C 0.364 176.965 176.600 0.002 0.000 1.052 296 K CA 0.257 56.553 56.287 0.016 0.000 0.969 296 K CB 0.353 32.873 32.500 0.033 0.000 0.761 296 K HN 0.219 nan 8.250 nan 0.000 0.459 297 c N 0.351 118.945 118.600 -0.010 0.000 2.716 297 c HA 0.438 5.016 4.570 0.014 0.000 0.366 297 c C -1.128 172.936 174.090 -0.042 0.000 1.073 297 c CA -0.656 55.658 56.329 -0.025 0.000 1.260 297 c CB 0.771 43.263 42.510 -0.031 0.000 1.755 297 c HN 0.276 nan 8.230 nan 0.000 0.475 298 T N 4.976 119.512 114.554 -0.031 0.000 2.781 298 T HA 0.304 4.662 4.350 0.014 0.000 0.305 298 T C 0.071 174.756 174.700 -0.026 0.000 1.001 298 T CA 0.042 62.122 62.100 -0.034 0.000 0.950 298 T CB 0.980 69.835 68.868 -0.023 0.000 0.955 298 T HN 0.727 nan 8.240 nan 0.000 0.471 299 V N 4.152 124.046 119.914 -0.034 0.000 2.740 299 V HA 0.379 4.508 4.120 0.014 0.000 0.303 299 V C 1.334 177.433 176.094 0.008 0.000 1.054 299 V CA 0.890 63.183 62.300 -0.012 0.000 1.106 299 V CB 1.103 32.920 31.823 -0.009 0.000 0.957 299 V HN 1.027 nan 8.190 nan 0.000 0.486 300 G N 6.021 114.837 108.800 0.027 0.000 2.441 300 G HA2 0.073 4.041 3.960 0.014 0.000 0.212 300 G HA3 0.073 4.041 3.960 0.014 0.000 0.212 300 G C 0.638 175.573 174.900 0.059 0.000 1.164 300 G CA -0.290 44.832 45.100 0.036 0.000 0.811 300 G HN 0.586 nan 8.290 nan 0.000 0.535 301 L N 1.176 122.455 121.223 0.094 0.000 2.485 301 L HA 0.092 4.440 4.340 0.014 0.000 0.275 301 L C 0.770 177.698 176.870 0.096 0.000 1.207 301 L CA -0.758 54.164 54.840 0.137 0.000 0.855 301 L CB 0.333 42.546 42.059 0.258 0.000 1.114 301 L HN 0.327 nan 8.230 nan 0.000 0.485 302 H N 2.389 121.445 119.070 -0.025 0.000 3.192 302 H HA -0.120 4.444 4.556 0.014 0.000 0.295 302 H C -0.224 174.984 175.328 -0.200 0.000 0.943 302 H CA 0.186 56.168 56.048 -0.109 0.000 1.416 302 H CB 0.072 29.743 29.762 -0.152 0.000 1.434 302 H HN 0.416 nan 8.280 nan 0.000 0.565 303 D N 3.915 123.925 120.400 -0.649 0.000 2.453 303 D HA 0.001 4.649 4.640 0.014 0.000 0.223 303 D C 0.286 176.148 176.300 -0.729 0.000 1.183 303 D CA -0.042 53.692 54.000 -0.444 0.000 0.933 303 D CB -0.342 40.338 40.800 -0.199 0.000 1.038 303 D HN 0.758 nan 8.370 nan 0.000 0.513 304 N N 0.915 118.979 118.700 -1.060 0.000 2.381 304 N HA -0.106 4.643 4.740 0.014 0.000 0.182 304 N C 1.316 176.332 175.510 -0.822 0.000 1.025 304 N CA 0.995 53.317 53.050 -1.214 0.000 0.888 304 N CB 0.378 37.472 38.487 -2.322 0.000 0.965 304 N HN 0.300 nan 8.380 nan 0.000 0.438 305 T N 0.022 114.403 114.554 -0.287 0.000 2.851 305 T HA 0.040 4.398 4.350 0.014 0.000 0.262 305 T C 1.282 175.989 174.700 0.012 0.000 1.043 305 T CA 0.846 62.963 62.100 0.029 0.000 1.140 305 T CB 0.027 69.028 68.868 0.222 0.000 0.872 305 T HN 0.286 nan 8.240 nan 0.000 0.446 306 N N 0.192 118.863 118.700 -0.049 0.000 2.273 306 N HA 0.286 5.034 4.740 0.014 0.000 0.192 306 N C 0.730 176.203 175.510 -0.062 0.000 1.132 306 N CA 0.280 53.310 53.050 -0.033 0.000 0.887 306 N CB 0.843 39.301 38.487 -0.049 0.000 1.048 306 N HN 0.309 nan 8.380 nan 0.000 0.490 307 A N 0.047 122.783 122.820 -0.139 0.000 2.610 307 A HA 0.201 4.529 4.320 0.014 0.000 0.290 307 A C -0.549 176.969 177.584 -0.110 0.000 1.001 307 A CA -0.239 51.721 52.037 -0.128 0.000 1.004 307 A CB 0.398 19.309 19.000 -0.149 0.000 1.220 307 A HN -0.040 nan 8.150 nan 0.000 0.507 308 D N 0.362 120.723 120.400 -0.065 0.000 2.336 308 D HA 0.123 4.771 4.640 0.014 0.000 0.248 308 D C 0.859 177.231 176.300 0.120 0.000 1.326 308 D CA -0.368 53.658 54.000 0.043 0.000 0.973 308 D CB 0.920 41.752 40.800 0.053 0.000 1.255 308 D HN 0.175 nan 8.370 nan 0.000 0.558 309 R N 2.930 123.496 120.500 0.110 0.000 2.091 309 R HA -0.139 4.210 4.340 0.014 0.000 0.238 309 R C 0.509 176.926 176.300 0.194 0.000 1.136 309 R CA 1.375 57.566 56.100 0.152 0.000 0.959 309 R CB -0.036 30.296 30.300 0.054 0.000 0.856 309 R HN 0.440 nan 8.270 nan 0.000 0.437 310 D N -0.276 120.206 120.400 0.137 0.000 2.123 310 D HA -0.201 4.448 4.640 0.014 0.000 0.196 310 D C 1.711 178.075 176.300 0.107 0.000 0.992 310 D CA 1.288 55.354 54.000 0.109 0.000 0.833 310 D CB -0.573 40.270 40.800 0.071 0.000 0.954 310 D HN 0.326 nan 8.370 nan 0.000 0.455 311 Y N 1.932 122.232 120.300 -0.000 0.000 2.128 311 Y HA -0.229 4.328 4.550 0.013 0.000 0.284 311 Y C 1.852 177.739 175.900 -0.021 0.000 1.154 311 Y CA 1.748 59.823 58.100 -0.042 0.000 1.149 311 Y CB -0.106 38.286 38.460 -0.113 0.000 0.976 311 Y HN -0.148 nan 8.280 nan 0.000 0.505 312 D N -0.395 120.077 120.400 0.121 0.000 2.133 312 D HA -0.237 4.411 4.640 0.014 0.000 0.192 312 D C 2.251 178.462 176.300 -0.148 0.000 1.001 312 D CA 2.608 56.606 54.000 -0.003 0.000 0.844 312 D CB -0.663 40.229 40.800 0.152 0.000 0.944 312 D HN 0.594 nan 8.370 nan 0.000 0.447 313 T N -1.000 113.516 114.554 -0.064 0.000 2.881 313 T HA -0.115 4.243 4.350 0.014 0.000 0.270 313 T C 1.921 176.573 174.700 -0.079 0.000 1.068 313 T CA 1.571 63.626 62.100 -0.075 0.000 1.131 313 T CB -0.410 68.474 68.868 0.027 0.000 0.871 313 T HN 0.121 nan 8.240 nan 0.000 0.479 314 V N -2.202 117.636 119.914 -0.126 0.000 3.621 314 V HA 0.462 4.590 4.120 0.014 0.000 0.285 314 V C 0.421 176.392 176.094 -0.205 0.000 1.346 314 V CA -0.427 61.797 62.300 -0.128 0.000 1.104 314 V CB -0.620 31.137 31.823 -0.109 0.000 0.913 314 V HN 0.346 nan 8.190 nan 0.000 0.432 315 N N 2.046 120.561 118.700 -0.309 0.000 2.723 315 N HA 0.306 5.054 4.740 0.014 0.000 0.290 315 N C -2.170 173.202 175.510 -0.230 0.000 1.882 315 N CA -0.758 52.087 53.050 -0.342 0.000 0.851 315 N CB 1.695 39.733 38.487 -0.748 0.000 1.234 315 N HN 0.321 nan 8.380 nan 0.000 0.491 316 P HA -0.183 nan 4.420 nan 0.000 0.221 316 P C 1.109 178.285 177.300 -0.207 0.000 1.145 316 P CA 1.139 64.114 63.100 -0.208 0.000 0.795 316 P CB 0.342 31.935 31.700 -0.179 0.000 0.775 317 E N 0.727 120.833 120.200 -0.156 0.000 2.160 317 E HA -0.233 4.125 4.350 0.014 0.000 0.195 317 E C 1.622 178.109 176.600 -0.188 0.000 0.991 317 E CA 1.038 57.334 56.400 -0.174 0.000 0.810 317 E CB -0.655 28.957 29.700 -0.146 0.000 0.742 317 E HN 0.179 nan 8.360 nan 0.000 0.466 318 E N 1.084 121.203 120.200 -0.136 0.000 2.017 318 E HA -0.130 4.228 4.350 0.014 0.000 0.193 318 E C 1.921 178.452 176.600 -0.115 0.000 0.997 318 E CA 1.368 57.715 56.400 -0.088 0.000 0.804 318 E CB -0.097 29.619 29.700 0.027 0.000 0.757 318 E HN 0.218 nan 8.360 nan 0.000 0.448 319 N N -0.116 118.502 118.700 -0.137 0.000 2.309 319 N HA -0.079 4.669 4.740 0.014 0.000 0.182 319 N C 1.388 176.788 175.510 -0.184 0.000 1.018 319 N CA 1.066 54.025 53.050 -0.151 0.000 0.876 319 N CB -0.218 38.144 38.487 -0.208 0.000 0.972 319 N HN 0.179 nan 8.380 nan 0.000 0.434 320 A N 0.668 123.354 122.820 -0.223 0.000 1.930 320 A HA -0.028 4.301 4.320 0.014 0.000 0.217 320 A C 2.307 179.769 177.584 -0.203 0.000 1.175 320 A CA 0.787 52.688 52.037 -0.227 0.000 0.627 320 A CB -0.538 18.320 19.000 -0.236 0.000 0.815 320 A HN 0.218 nan 8.150 nan 0.000 0.443 321 L N -1.192 119.889 121.223 -0.237 0.000 2.109 321 L HA -0.141 4.207 4.340 0.014 0.000 0.207 321 L C 2.868 179.645 176.870 -0.155 0.000 1.086 321 L CA 1.180 55.870 54.840 -0.249 0.000 0.760 321 L CB -0.406 41.458 42.059 -0.325 0.000 0.910 321 L HN 0.346 nan 8.230 nan 0.000 0.437 322 R N -0.136 120.292 120.500 -0.121 0.000 2.066 322 R HA -0.118 4.230 4.340 0.014 0.000 0.232 322 R C 2.531 178.790 176.300 -0.069 0.000 1.131 322 R CA 1.717 57.771 56.100 -0.076 0.000 0.955 322 R CB -0.429 29.843 30.300 -0.046 0.000 0.851 322 R HN 0.430 nan 8.270 nan 0.000 0.432 323 S N 0.970 116.620 115.700 -0.084 0.000 2.453 323 S HA -0.082 4.396 4.470 0.014 0.000 0.231 323 S C 1.938 176.502 174.600 -0.059 0.000 1.005 323 S CA 0.573 58.729 58.200 -0.073 0.000 0.949 323 S CB -0.187 62.956 63.200 -0.096 0.000 0.774 323 S HN 0.178 nan 8.310 nan 0.000 0.510 324 L N 1.596 122.776 121.223 -0.072 0.000 2.056 324 L HA 0.186 4.534 4.340 0.014 0.000 0.207 324 L C 2.097 178.948 176.870 -0.031 0.000 1.078 324 L CA 1.502 56.316 54.840 -0.045 0.000 0.749 324 L CB -0.536 41.486 42.059 -0.062 0.000 0.901 324 L HN 0.299 nan 8.230 nan 0.000 0.433 325 I N -0.369 120.170 120.570 -0.052 0.000 2.286 325 I HA -0.211 3.967 4.170 0.014 0.000 0.245 325 I C 2.563 178.662 176.117 -0.029 0.000 1.104 325 I CA 1.077 62.349 61.300 -0.047 0.000 1.397 325 I CB -0.612 37.350 38.000 -0.064 0.000 1.072 325 I HN 0.329 nan 8.210 nan 0.000 0.417 326 A N 0.560 123.363 122.820 -0.029 0.000 2.019 326 A HA -0.205 4.123 4.320 0.014 0.000 0.219 326 A C 2.390 179.967 177.584 -0.011 0.000 1.164 326 A CA 1.908 53.933 52.037 -0.020 0.000 0.644 326 A CB -0.770 18.217 19.000 -0.023 0.000 0.805 326 A HN 0.526 nan 8.150 nan 0.000 0.449 327 S N -0.188 115.515 115.700 0.006 0.000 2.603 327 S HA 0.367 4.846 4.470 0.014 0.000 0.229 327 S C 0.908 175.565 174.600 0.096 0.000 0.972 327 S CA 0.389 58.608 58.200 0.031 0.000 0.935 327 S CB -0.732 62.506 63.200 0.063 0.000 0.769 327 S HN 0.916 nan 8.310 nan 0.000 0.536 328 A N 1.330 124.189 122.820 0.064 0.000 2.451 328 A HA 0.507 4.835 4.320 0.014 0.000 0.266 328 A C 1.047 178.649 177.584 0.031 0.000 1.119 328 A CA -0.551 51.513 52.037 0.044 0.000 0.786 328 A CB 0.116 19.100 19.000 -0.026 0.000 1.061 328 A HN 0.563 nan 8.150 nan 0.000 0.503 329 R N 1.402 121.934 120.500 0.053 0.000 2.307 329 R HA 0.109 4.458 4.340 0.014 0.000 0.200 329 R C 1.685 178.011 176.300 0.042 0.000 0.893 329 R CA 0.911 57.030 56.100 0.031 0.000 1.042 329 R CB 0.450 30.760 30.300 0.016 0.000 1.059 329 R HN 0.703 nan 8.270 nan 0.000 0.530 330 S N -0.588 115.147 115.700 0.058 0.000 3.039 330 S HA 0.079 4.557 4.470 0.014 0.000 0.251 330 S C -0.338 174.361 174.600 0.165 0.000 1.064 330 S CA -0.166 58.104 58.200 0.116 0.000 0.822 330 S CB 0.289 63.609 63.200 0.200 0.000 0.802 330 S HN 0.484 nan 8.310 nan 0.000 0.519 331 H N -1.534 117.528 119.070 -0.015 0.000 3.068 331 H HA 0.739 5.303 4.556 0.014 0.000 0.342 331 H C -1.371 173.933 175.328 -0.041 0.000 1.284 331 H CA -0.839 55.184 56.048 -0.042 0.000 1.181 331 H CB 1.475 31.199 29.762 -0.063 0.000 1.898 331 H HN 0.148 nan 8.280 nan 0.000 0.540 332 V N 1.483 121.371 119.914 -0.045 0.000 2.638 332 V HA 0.512 4.641 4.120 0.014 0.000 0.306 332 V C -1.321 174.755 176.094 -0.030 0.000 1.052 332 V CA -0.495 61.756 62.300 -0.082 0.000 0.885 332 V CB 1.835 33.617 31.823 -0.068 0.000 0.999 332 V HN 0.906 nan 8.190 nan 0.000 0.424 333 E N 5.957 126.147 120.200 -0.015 0.000 2.151 333 E HA 0.590 4.948 4.350 0.014 0.000 0.275 333 E C -0.852 175.758 176.600 0.017 0.000 0.936 333 E CA -0.090 56.309 56.400 -0.002 0.000 0.777 333 E CB 1.860 31.575 29.700 0.026 0.000 1.108 333 E HN 0.669 nan 8.360 nan 0.000 0.401 334 I N 1.920 122.498 120.570 0.013 0.000 2.330 334 I HA 0.281 4.459 4.170 0.014 0.000 0.289 334 I C -0.221 175.954 176.117 0.097 0.000 1.001 334 I CA -0.448 60.875 61.300 0.038 0.000 1.193 334 I CB 1.487 39.483 38.000 -0.007 0.000 1.345 334 I HN 0.258 nan 8.210 nan 0.000 0.461 335 S N 6.334 122.127 115.700 0.155 0.000 2.640 335 S HA 0.534 5.012 4.470 0.014 0.000 0.320 335 S C -0.826 173.903 174.600 0.214 0.000 1.097 335 S CA -0.567 57.773 58.200 0.235 0.000 1.092 335 S CB 0.468 63.924 63.200 0.427 0.000 0.988 335 S HN 0.491 nan 8.310 nan 0.000 0.470 336 Q N 2.362 122.247 119.800 0.142 0.000 2.416 336 Q HA 0.255 4.603 4.340 0.014 0.000 0.281 336 Q C 0.407 176.469 176.000 0.104 0.000 1.067 336 Q CA -0.658 55.219 55.803 0.124 0.000 0.809 336 Q CB 1.607 30.416 28.738 0.119 0.000 1.418 336 Q HN 0.809 nan 8.270 nan 0.000 0.411 337 Q N 0.482 120.359 119.800 0.127 0.000 2.061 337 Q HA -0.120 4.228 4.340 0.014 0.000 0.204 337 Q C -0.574 175.519 176.000 0.155 0.000 0.984 337 Q CA 1.624 57.525 55.803 0.164 0.000 0.846 337 Q CB 0.532 29.416 28.738 0.244 0.000 0.902 337 Q HN 0.499 nan 8.270 nan 0.000 0.421 338 D N -1.708 118.816 120.400 0.208 0.000 2.655 338 D HA 0.186 4.835 4.640 0.014 0.000 0.229 338 D C -0.418 176.050 176.300 0.281 0.000 1.229 338 D CA -0.381 53.715 54.000 0.160 0.000 0.807 338 D CB 1.935 42.661 40.800 -0.124 0.000 1.514 338 D HN 0.051 nan 8.370 nan 0.000 0.444 339 L N 0.833 122.181 121.223 0.207 0.000 2.575 339 L HA 0.232 4.580 4.340 0.014 0.000 0.228 339 L C 0.408 177.475 176.870 0.329 0.000 1.075 339 L CA 0.620 55.604 54.840 0.241 0.000 0.867 339 L CB 0.118 42.267 42.059 0.149 0.000 1.097 339 L HN 0.226 nan 8.230 nan 0.000 0.485 340 N N -0.614 118.222 118.700 0.227 0.000 2.361 340 N HA 0.630 5.378 4.740 0.014 0.000 0.302 340 N C -0.469 175.045 175.510 0.006 0.000 1.074 340 N CA -0.320 52.842 53.050 0.186 0.000 0.850 340 N CB 1.982 40.557 38.487 0.146 0.000 1.228 340 N HN 0.050 nan 8.380 nan 0.000 0.491 341 A N 0.840 123.672 122.820 0.020 0.000 2.247 341 A HA 0.518 4.846 4.320 0.014 0.000 0.313 341 A C -0.138 177.378 177.584 -0.113 0.000 1.109 341 A CA -0.379 51.596 52.037 -0.104 0.000 0.890 341 A CB 0.466 19.466 19.000 0.001 0.000 1.239 341 A HN 0.530 nan 8.150 nan 0.000 0.506 342 T N 0.722 115.198 114.554 -0.130 0.000 2.747 342 T HA 0.356 4.714 4.350 0.014 0.000 0.301 342 T C -0.593 174.062 174.700 -0.075 0.000 0.952 342 T CA 0.049 62.096 62.100 -0.090 0.000 0.983 342 T CB -0.208 68.613 68.868 -0.078 0.000 0.930 342 T HN 0.626 nan 8.240 nan 0.000 0.494 343 c N 8.018 126.585 118.600 -0.055 0.000 2.281 343 c HA 0.650 5.228 4.570 0.014 0.000 0.325 343 c C -1.874 172.198 174.090 -0.030 0.000 1.282 343 c CA -1.953 54.346 56.329 -0.050 0.000 1.640 343 c CB -0.054 42.425 42.510 -0.052 0.000 2.288 343 c HN 0.687 nan 8.230 nan 0.000 0.507 344 P HA 0.351 nan 4.420 nan 0.000 0.275 344 P C -2.361 174.921 177.300 -0.029 0.000 1.266 344 P CA -0.974 62.112 63.100 -0.023 0.000 0.793 344 P CB 0.282 31.980 31.700 -0.004 0.000 1.074 345 P HA 0.111 nan 4.420 nan 0.000 0.251 345 P C 0.229 177.493 177.300 -0.061 0.000 1.223 345 P CA 0.656 63.746 63.100 -0.017 0.000 0.796 345 P CB 0.527 32.233 31.700 0.009 0.000 1.068 346 L N 2.106 123.237 121.223 -0.153 0.000 2.360 346 L HA 0.443 4.791 4.340 0.014 0.000 0.271 346 L C -2.222 174.568 176.870 -0.132 0.000 1.057 346 L CA -2.464 52.218 54.840 -0.264 0.000 0.803 346 L CB 1.011 42.824 42.059 -0.409 0.000 1.207 346 L HN -0.185 nan 8.230 nan 0.000 0.445 347 P HA 0.050 nan 4.420 nan 0.000 0.266 347 P C 0.406 177.627 177.300 -0.132 0.000 1.195 347 P CA -0.040 62.995 63.100 -0.107 0.000 0.768 347 P CB 0.727 32.383 31.700 -0.073 0.000 0.838 348 R N 2.226 122.619 120.500 -0.179 0.000 2.148 348 R HA -0.098 4.250 4.340 0.014 0.000 0.227 348 R C 0.275 176.620 176.300 0.075 0.000 1.103 348 R CA 1.444 57.510 56.100 -0.058 0.000 0.983 348 R CB -0.093 30.209 30.300 0.004 0.000 0.874 348 R HN 0.661 nan 8.270 nan 0.000 0.451 349 Y N -4.505 115.795 120.300 -0.001 0.000 2.713 349 Y HA 0.345 4.904 4.550 0.014 0.000 0.335 349 Y C -1.617 174.334 175.900 0.085 0.000 1.222 349 Y CA -2.026 56.112 58.100 0.065 0.000 1.061 349 Y CB 0.514 38.946 38.460 -0.046 0.000 1.314 349 Y HN -0.292 nan 8.280 nan 0.000 0.453 350 D N 1.647 122.288 120.400 0.402 0.000 2.380 350 D HA 0.300 4.948 4.640 0.014 0.000 0.230 350 D C 0.851 177.388 176.300 0.394 0.000 1.154 350 D CA -0.007 54.160 54.000 0.279 0.000 0.859 350 D CB 0.835 41.766 40.800 0.218 0.000 1.045 350 D HN 0.725 nan 8.370 nan 0.000 0.495 351 I N 3.321 124.050 120.570 0.265 0.000 2.127 351 I HA -0.300 3.878 4.170 0.014 0.000 0.241 351 I C 2.481 178.746 176.117 0.248 0.000 1.075 351 I CA 0.937 62.416 61.300 0.298 0.000 1.334 351 I CB -0.056 38.034 38.000 0.149 0.000 1.040 351 I HN 0.319 nan 8.210 nan 0.000 0.405 352 R N 0.029 120.627 120.500 0.164 0.000 2.105 352 R HA -0.141 4.207 4.340 0.014 0.000 0.239 352 R C 2.341 178.707 176.300 0.110 0.000 1.135 352 R CA 1.960 58.131 56.100 0.119 0.000 0.967 352 R CB -0.610 29.743 30.300 0.088 0.000 0.861 352 R HN 0.370 nan 8.270 nan 0.000 0.442 353 T N -0.053 114.577 114.554 0.128 0.000 2.777 353 T HA -0.148 4.210 4.350 0.014 0.000 0.266 353 T C 1.393 176.111 174.700 0.031 0.000 1.040 353 T CA 1.254 63.389 62.100 0.058 0.000 1.141 353 T CB -0.286 68.609 68.868 0.043 0.000 0.868 353 T HN 0.256 nan 8.240 nan 0.000 0.444 354 Y N 1.561 121.888 120.300 0.045 0.000 2.242 354 Y HA -0.098 4.460 4.550 0.013 0.000 0.291 354 Y C 2.447 178.346 175.900 -0.001 0.000 1.137 354 Y CA 0.938 59.038 58.100 0.000 0.000 1.181 354 Y CB -0.180 38.254 38.460 -0.044 0.000 0.989 354 Y HN 0.154 nan 8.280 nan 0.000 0.527 355 D N -0.927 119.577 120.400 0.174 0.000 2.097 355 D HA -0.157 4.491 4.640 0.014 0.000 0.195 355 D C 2.111 178.441 176.300 0.050 0.000 0.989 355 D CA 1.937 55.996 54.000 0.097 0.000 0.827 355 D CB -0.533 40.318 40.800 0.085 0.000 0.966 355 D HN 0.254 nan 8.370 nan 0.000 0.456 356 T N 0.984 115.559 114.554 0.034 0.000 2.759 356 T HA -0.102 4.256 4.350 0.014 0.000 0.269 356 T C 2.192 176.880 174.700 -0.021 0.000 1.042 356 T CA 0.721 62.822 62.100 0.001 0.000 1.140 356 T CB -0.208 68.654 68.868 -0.010 0.000 0.864 356 T HN 0.129 nan 8.240 nan 0.000 0.455 357 L N 0.528 121.724 121.223 -0.045 0.000 2.131 357 L HA 0.106 4.454 4.340 0.014 0.000 0.206 357 L C 3.008 179.856 176.870 -0.037 0.000 1.087 357 L CA 0.895 55.692 54.840 -0.072 0.000 0.767 357 L CB -0.608 41.356 42.059 -0.157 0.000 0.917 357 L HN 0.197 nan 8.230 nan 0.000 0.441 358 A N 0.508 123.325 122.820 -0.005 0.000 1.930 358 A HA -0.095 4.233 4.320 0.014 0.000 0.217 358 A C 2.419 180.006 177.584 0.005 0.000 1.175 358 A CA 1.623 53.667 52.037 0.012 0.000 0.627 358 A CB -1.248 17.775 19.000 0.038 0.000 0.815 358 A HN 0.416 nan 8.150 nan 0.000 0.443 359 G N -0.147 108.656 108.800 0.005 0.000 2.440 359 G HA2 -0.225 3.743 3.960 0.014 0.000 0.218 359 G HA3 -0.225 3.743 3.960 0.014 0.000 0.218 359 G C 1.639 176.536 174.900 -0.005 0.000 1.154 359 G CA 1.080 46.181 45.100 0.002 0.000 0.767 359 G HN 0.410 nan 8.290 nan 0.000 0.552 360 K N 0.257 120.650 120.400 -0.012 0.000 2.057 360 K HA 0.100 4.428 4.320 0.014 0.000 0.206 360 K C 2.564 179.156 176.600 -0.013 0.000 1.050 360 K CA 0.489 56.767 56.287 -0.015 0.000 0.935 360 K CB -0.662 31.824 32.500 -0.024 0.000 0.715 360 K HN 0.344 nan 8.250 nan 0.000 0.439 361 L N 0.617 121.831 121.223 -0.015 0.000 2.017 361 L HA -0.177 4.171 4.340 0.014 0.000 0.208 361 L C 2.613 179.478 176.870 -0.007 0.000 1.073 361 L CA 1.342 56.174 54.840 -0.013 0.000 0.745 361 L CB -0.698 41.354 42.059 -0.013 0.000 0.894 361 L HN 0.115 nan 8.230 nan 0.000 0.432 362 A N 0.072 122.890 122.820 -0.003 0.000 1.908 362 A HA -0.181 4.147 4.320 0.014 0.000 0.218 362 A C 2.308 179.891 177.584 -0.002 0.000 1.181 362 A CA 1.818 53.854 52.037 -0.001 0.000 0.627 362 A CB -0.682 18.319 19.000 0.002 0.000 0.818 362 A HN 0.422 nan 8.150 nan 0.000 0.445 363 A N -1.873 120.946 122.820 -0.003 0.000 2.235 363 A HA 0.405 4.733 4.320 0.014 0.000 0.208 363 A C 1.789 179.372 177.584 -0.002 0.000 1.172 363 A CA 1.186 53.222 52.037 -0.002 0.000 0.786 363 A CB -1.080 17.919 19.000 -0.003 0.000 0.804 363 A HN 1.951 nan 8.150 nan 0.000 0.479 364 G N -1.506 107.292 108.800 -0.003 0.000 2.148 364 G HA2 -0.215 3.753 3.960 0.014 0.000 0.254 364 G HA3 -0.215 3.753 3.960 0.014 0.000 0.254 364 G C 0.211 175.111 174.900 -0.001 0.000 0.981 364 G CA 0.198 45.296 45.100 -0.003 0.000 0.670 364 G HN 0.761 nan 8.290 nan 0.000 0.528 365 V N 1.525 121.440 119.914 0.001 0.000 2.614 365 V HA 0.350 4.478 4.120 0.014 0.000 0.291 365 V C 0.669 176.763 176.094 0.000 0.000 1.049 365 V CA -0.496 61.809 62.300 0.009 0.000 1.038 365 V CB 1.456 33.283 31.823 0.006 0.000 0.980 365 V HN 0.199 nan 8.190 nan 0.000 0.481 366 K N 3.911 124.320 120.400 0.014 0.000 2.297 366 K HA 0.387 4.716 4.320 0.014 0.000 0.286 366 K C -0.648 175.936 176.600 -0.026 0.000 1.053 366 K CA -0.159 56.118 56.287 -0.017 0.000 0.940 366 K CB 1.312 33.795 32.500 -0.029 0.000 1.019 366 K HN 0.426 nan 8.250 nan 0.000 0.475 367 V N 4.217 124.093 119.914 -0.063 0.000 2.384 367 V HA 0.388 4.516 4.120 0.014 0.000 0.287 367 V C 0.255 176.274 176.094 -0.125 0.000 1.020 367 V CA -0.882 61.371 62.300 -0.078 0.000 0.850 367 V CB 1.469 33.250 31.823 -0.071 0.000 0.987 367 V HN 0.588 nan 8.190 nan 0.000 0.436 368 R N 5.238 125.654 120.500 -0.140 0.000 2.437 368 R HA 0.721 5.069 4.340 0.014 0.000 0.310 368 R C -1.480 174.758 176.300 -0.103 0.000 0.955 368 R CA -0.573 55.402 56.100 -0.208 0.000 0.851 368 R CB 1.253 31.352 30.300 -0.336 0.000 1.161 368 R HN 0.725 nan 8.270 nan 0.000 0.446 369 I N 5.117 125.650 120.570 -0.063 0.000 2.439 369 I HA 0.293 4.471 4.170 0.014 0.000 0.285 369 I C -0.818 175.346 176.117 0.078 0.000 1.021 369 I CA -1.011 60.291 61.300 0.004 0.000 1.091 369 I CB 2.098 40.090 38.000 -0.014 0.000 1.242 369 I HN 0.270 nan 8.210 nan 0.000 0.439 370 V N 7.054 127.045 119.914 0.129 0.000 2.448 370 V HA 0.548 4.676 4.120 0.014 0.000 0.295 370 V C 0.019 176.217 176.094 0.173 0.000 1.025 370 V CA -0.613 61.807 62.300 0.201 0.000 0.859 370 V CB 2.034 34.034 31.823 0.295 0.000 0.988 370 V HN 0.530 nan 8.190 nan 0.000 0.431 371 V N 1.727 121.740 119.914 0.165 0.000 3.074 371 V HA 0.736 4.864 4.120 0.014 0.000 0.314 371 V C 0.195 176.381 176.094 0.155 0.000 1.117 371 V CA -0.863 61.520 62.300 0.138 0.000 1.014 371 V CB 1.922 33.815 31.823 0.117 0.000 1.057 371 V HN 0.728 nan 8.190 nan 0.000 0.438 372 S N 1.046 116.824 115.700 0.131 0.000 2.560 372 S HA 0.047 4.525 4.470 0.014 0.000 0.284 372 S C 0.116 174.806 174.600 0.150 0.000 1.327 372 S CA -0.081 58.207 58.200 0.147 0.000 1.055 372 S CB -0.018 63.277 63.200 0.158 0.000 0.868 372 S HN 1.079 nan 8.310 nan 0.000 0.506 373 D N 4.350 124.849 120.400 0.165 0.000 2.493 373 D HA 0.108 4.756 4.640 0.014 0.000 0.240 373 D C -1.518 174.849 176.300 0.111 0.000 1.142 373 D CA -1.572 52.509 54.000 0.134 0.000 0.872 373 D CB 1.161 42.048 40.800 0.145 0.000 1.173 373 D HN 0.275 nan 8.370 nan 0.000 0.467 374 P HA -0.176 nan 4.420 nan 0.000 0.218 374 P C 0.856 178.193 177.300 0.062 0.000 1.146 374 P CA 1.775 64.915 63.100 0.066 0.000 0.820 374 P CB 0.096 31.828 31.700 0.053 0.000 0.778 375 A N -0.669 122.189 122.820 0.064 0.000 2.131 375 A HA -0.213 4.115 4.320 0.014 0.000 0.220 375 A C 2.022 179.644 177.584 0.064 0.000 1.158 375 A CA 1.462 53.531 52.037 0.053 0.000 0.665 375 A CB -1.146 17.880 19.000 0.044 0.000 0.795 375 A HN 0.220 nan 8.150 nan 0.000 0.460 376 N N -0.598 118.159 118.700 0.093 0.000 2.463 376 N HA -0.043 4.705 4.740 0.014 0.000 0.181 376 N C 0.789 176.364 175.510 0.109 0.000 1.078 376 N CA 0.106 53.233 53.050 0.129 0.000 0.902 376 N CB -0.048 38.557 38.487 0.198 0.000 0.970 376 N HN 0.499 nan 8.380 nan 0.000 0.451 377 R N 1.092 121.635 120.500 0.072 0.000 2.537 377 R HA 0.127 4.475 4.340 0.014 0.000 0.280 377 R C 0.912 177.233 176.300 0.036 0.000 1.058 377 R CA -0.113 56.014 56.100 0.045 0.000 1.057 377 R CB 0.485 30.802 30.300 0.029 0.000 0.973 377 R HN 0.001 nan 8.270 nan 0.000 0.438 378 G N 1.716 110.532 108.800 0.026 0.000 2.580 378 G HA2 0.375 4.343 3.960 0.014 0.000 0.225 378 G HA3 0.375 4.343 3.960 0.014 0.000 0.225 378 G C -0.407 174.497 174.900 0.008 0.000 1.521 378 G CA 0.101 45.212 45.100 0.018 0.000 1.068 378 G HN 1.014 nan 8.290 nan 0.000 0.564 379 A N -2.610 120.212 122.820 0.002 0.000 4.068 379 A HA -0.007 4.321 4.320 0.014 0.000 0.225 379 A C 0.109 177.695 177.584 0.004 0.000 1.193 379 A CA -0.046 51.990 52.037 -0.000 0.000 0.802 379 A CB -1.758 17.245 19.000 0.004 0.000 0.954 379 A HN 1.558 nan 8.150 nan 0.000 0.451 380 V N 0.818 120.731 119.914 -0.001 0.000 2.529 380 V HA 0.352 4.480 4.120 0.014 0.000 0.249 380 V C 1.539 177.646 176.094 0.021 0.000 1.021 380 V CA 2.064 64.366 62.300 0.003 0.000 1.203 380 V CB -0.684 31.136 31.823 -0.004 0.000 1.136 380 V HN 2.463 nan 8.190 nan 0.000 0.474 381 G N 3.995 112.825 108.800 0.050 0.000 2.858 381 G HA2 -0.104 3.864 3.960 0.014 0.000 0.266 381 G HA3 -0.104 3.864 3.960 0.014 0.000 0.266 381 G C 0.206 175.200 174.900 0.156 0.000 1.023 381 G CA -0.053 45.129 45.100 0.138 0.000 1.172 381 G HN 0.951 nan 8.290 nan 0.000 0.523 382 S N 0.079 115.882 115.700 0.172 0.000 2.727 382 S HA 0.519 4.997 4.470 0.014 0.000 0.249 382 S C 1.275 176.026 174.600 0.252 0.000 1.079 382 S CA 0.660 58.958 58.200 0.163 0.000 0.912 382 S CB 0.932 64.165 63.200 0.055 0.000 0.861 382 S HN 1.820 nan 8.310 nan 0.000 0.484 383 G N 1.685 110.542 108.800 0.094 0.000 2.329 383 G HA2 0.576 4.544 3.960 0.014 0.000 0.309 383 G HA3 0.576 4.544 3.960 0.014 0.000 0.309 383 G C 0.317 175.158 174.900 -0.097 0.000 1.110 383 G CA -0.219 44.888 45.100 0.011 0.000 0.923 383 G HN 0.433 nan 8.290 nan 0.000 0.430 384 G N 0.370 109.137 108.800 -0.055 0.000 2.683 384 G HA2 0.279 4.247 3.960 0.014 0.000 0.260 384 G HA3 0.279 4.247 3.960 0.014 0.000 0.260 384 G C -0.237 174.603 174.900 -0.101 0.000 1.238 384 G CA -0.490 44.583 45.100 -0.044 0.000 0.934 384 G HN 0.601 nan 8.290 nan 0.000 0.534 385 Y N -0.166 120.190 120.300 0.094 0.000 2.801 385 Y HA 0.471 5.029 4.550 0.014 0.000 0.340 385 Y C 1.140 177.086 175.900 0.076 0.000 1.088 385 Y CA 0.124 58.290 58.100 0.110 0.000 1.444 385 Y CB 0.207 38.741 38.460 0.122 0.000 1.251 385 Y HN 0.361 nan 8.280 nan 0.000 0.522 386 S N -0.147 115.627 115.700 0.122 0.000 2.537 386 S HA 0.353 4.831 4.470 0.014 0.000 0.270 386 S C -0.333 174.256 174.600 -0.018 0.000 1.142 386 S CA -0.600 57.636 58.200 0.060 0.000 0.870 386 S CB 1.422 64.672 63.200 0.083 0.000 1.112 386 S HN 0.384 nan 8.310 nan 0.000 0.466 387 Q N 2.176 121.936 119.800 -0.067 0.000 2.135 387 Q HA 0.396 4.744 4.340 0.014 0.000 0.222 387 Q C -0.053 175.919 176.000 -0.047 0.000 0.808 387 Q CA -0.046 55.698 55.803 -0.098 0.000 1.049 387 Q CB 0.437 29.042 28.738 -0.223 0.000 1.168 387 Q HN 0.736 nan 8.270 nan 0.000 0.483 388 I N -4.190 116.374 120.570 -0.010 0.000 2.892 388 I HA 0.445 4.623 4.170 0.014 0.000 0.306 388 I C 0.130 176.260 176.117 0.021 0.000 1.078 388 I CA -1.081 60.226 61.300 0.012 0.000 1.032 388 I CB 1.994 40.012 38.000 0.030 0.000 1.229 388 I HN -0.224 nan 8.210 nan 0.000 0.435 389 K N 1.514 121.927 120.400 0.021 0.000 2.334 389 K HA 0.210 4.538 4.320 0.014 0.000 0.195 389 K C 0.168 176.784 176.600 0.028 0.000 1.045 389 K CA 0.580 56.881 56.287 0.022 0.000 1.004 389 K CB 0.333 32.843 32.500 0.016 0.000 0.837 389 K HN 0.851 nan 8.250 nan 0.000 0.510 390 S N -1.107 114.611 115.700 0.031 0.000 2.567 390 S HA 0.271 4.750 4.470 0.014 0.000 0.270 390 S C 0.316 174.941 174.600 0.042 0.000 1.152 390 S CA -0.890 57.331 58.200 0.036 0.000 0.835 390 S CB 0.744 63.962 63.200 0.029 0.000 1.115 390 S HN 0.015 nan 8.310 nan 0.000 0.459 391 L N 0.999 122.251 121.223 0.049 0.000 2.456 391 L HA -0.005 4.343 4.340 0.014 0.000 0.224 391 L C 1.562 178.463 176.870 0.051 0.000 1.148 391 L CA 0.822 55.697 54.840 0.058 0.000 0.825 391 L CB -0.578 41.520 42.059 0.065 0.000 0.937 391 L HN 0.713 nan 8.230 nan 0.000 0.450 392 D N 0.501 120.925 120.400 0.039 0.000 2.178 392 D HA -0.196 4.453 4.640 0.014 0.000 0.201 392 D C 1.808 178.121 176.300 0.023 0.000 0.980 392 D CA 1.059 55.077 54.000 0.029 0.000 0.842 392 D CB -0.001 40.812 40.800 0.021 0.000 0.948 392 D HN 0.481 nan 8.370 nan 0.000 0.472 393 E N 0.144 120.359 120.200 0.025 0.000 2.273 393 E HA -0.148 4.210 4.350 0.014 0.000 0.198 393 E C 2.069 178.681 176.600 0.019 0.000 1.002 393 E CA 0.514 56.923 56.400 0.015 0.000 0.828 393 E CB 0.081 29.798 29.700 0.028 0.000 0.747 393 E HN 0.392 nan 8.360 nan 0.000 0.491 394 I N 0.138 120.749 120.570 0.068 0.000 2.556 394 I HA -0.175 4.003 4.170 0.014 0.000 0.251 394 I C 2.535 178.732 176.117 0.133 0.000 1.105 394 I CA 0.744 62.133 61.300 0.148 0.000 1.436 394 I CB -0.065 38.018 38.000 0.139 0.000 1.139 394 I HN 0.066 nan 8.210 nan 0.000 0.438 395 S N 0.277 116.020 115.700 0.071 0.000 2.368 395 S HA -0.162 4.316 4.470 0.014 0.000 0.224 395 S C 1.599 176.215 174.600 0.026 0.000 1.029 395 S CA 1.133 59.363 58.200 0.051 0.000 0.988 395 S CB -0.511 62.712 63.200 0.039 0.000 0.838 395 S HN 0.306 nan 8.310 nan 0.000 0.462 396 D N 1.933 122.335 120.400 0.004 0.000 2.149 396 D HA -0.057 4.591 4.640 0.014 0.000 0.198 396 D C 1.984 178.245 176.300 -0.066 0.000 0.990 396 D CA 1.753 55.740 54.000 -0.022 0.000 0.839 396 D CB -0.801 39.986 40.800 -0.022 0.000 0.948 396 D HN 0.510 nan 8.370 nan 0.000 0.460 397 T N 0.969 115.445 114.554 -0.129 0.000 2.812 397 T HA -0.002 4.356 4.350 0.014 0.000 0.264 397 T C 2.286 176.890 174.700 -0.160 0.000 1.042 397 T CA 0.243 62.144 62.100 -0.331 0.000 1.140 397 T CB -0.235 68.107 68.868 -0.876 0.000 0.870 397 T HN 0.105 nan 8.240 nan 0.000 0.445 398 L N 0.724 121.994 121.223 0.078 0.000 1.997 398 L HA -0.221 4.127 4.340 0.014 0.000 0.216 398 L C 2.914 179.807 176.870 0.038 0.000 1.074 398 L CA 1.709 56.623 54.840 0.123 0.000 0.763 398 L CB -0.524 41.594 42.059 0.097 0.000 0.890 398 L HN 0.196 nan 8.230 nan 0.000 0.434 399 R N -0.429 120.078 120.500 0.012 0.000 2.094 399 R HA -0.192 4.156 4.340 0.014 0.000 0.239 399 R C 2.252 178.549 176.300 -0.005 0.000 1.137 399 R CA 2.325 58.426 56.100 0.003 0.000 0.943 399 R CB -0.387 29.912 30.300 -0.001 0.000 0.850 399 R HN 0.308 nan 8.270 nan 0.000 0.433 400 T N 0.975 115.514 114.554 -0.025 0.000 2.720 400 T HA -0.122 4.237 4.350 0.014 0.000 0.268 400 T C 1.769 176.465 174.700 -0.007 0.000 1.037 400 T CA 1.342 63.428 62.100 -0.023 0.000 1.144 400 T CB -0.137 68.703 68.868 -0.046 0.000 0.864 400 T HN 0.240 nan 8.240 nan 0.000 0.444 401 R N 0.882 121.378 120.500 -0.006 0.000 2.115 401 R HA 0.213 4.561 4.340 0.014 0.000 0.226 401 R C 2.415 178.733 176.300 0.030 0.000 1.100 401 R CA 0.595 56.711 56.100 0.028 0.000 0.980 401 R CB -1.146 29.192 30.300 0.064 0.000 0.875 401 R HN 0.402 nan 8.270 nan 0.000 0.445 402 L N 0.197 121.435 121.223 0.024 0.000 2.141 402 L HA -0.112 4.236 4.340 0.014 0.000 0.209 402 L C 2.267 179.145 176.870 0.013 0.000 1.094 402 L CA 0.737 55.587 54.840 0.018 0.000 0.763 402 L CB -0.308 41.759 42.059 0.014 0.000 0.908 402 L HN -0.095 nan 8.230 nan 0.000 0.437 403 V N -0.347 119.573 119.914 0.010 0.000 2.323 403 V HA -0.212 3.916 4.120 0.014 0.000 0.244 403 V C 2.734 178.834 176.094 0.010 0.000 1.041 403 V CA 1.526 63.831 62.300 0.008 0.000 1.025 403 V CB -0.784 31.043 31.823 0.006 0.000 0.656 403 V HN 0.455 nan 8.190 nan 0.000 0.451 404 A N 0.223 123.051 122.820 0.013 0.000 1.903 404 A HA -0.285 4.043 4.320 0.014 0.000 0.219 404 A C 2.198 179.791 177.584 0.014 0.000 1.191 404 A CA 2.579 54.626 52.037 0.015 0.000 0.638 404 A CB -0.660 18.354 19.000 0.023 0.000 0.823 404 A HN 0.497 nan 8.150 nan 0.000 0.451 405 L N -0.249 120.983 121.223 0.016 0.000 2.072 405 L HA -0.056 4.292 4.340 0.014 0.000 0.205 405 L C 2.490 179.365 176.870 0.009 0.000 1.079 405 L CA 3.006 57.855 54.840 0.014 0.000 0.752 405 L CB -0.605 41.464 42.059 0.017 0.000 0.906 405 L HN 0.533 nan 8.230 nan 0.000 0.436 406 T N -5.144 109.415 114.554 0.008 0.000 3.034 406 T HA 0.435 4.793 4.350 0.014 0.000 0.248 406 T C 1.548 176.251 174.700 0.004 0.000 1.040 406 T CA 0.443 62.546 62.100 0.006 0.000 1.107 406 T CB 0.369 69.240 68.868 0.005 0.000 0.932 406 T HN 0.569 nan 8.240 nan 0.000 0.474 407 G N 2.232 111.035 108.800 0.005 0.000 2.254 407 G HA2 -0.146 3.822 3.960 0.014 0.000 0.225 407 G HA3 -0.146 3.822 3.960 0.014 0.000 0.225 407 G C -0.314 174.589 174.900 0.004 0.000 1.003 407 G CA 0.146 45.248 45.100 0.004 0.000 0.622 407 G HN 0.967 nan 8.290 nan 0.000 0.507 408 D N -0.163 120.239 120.400 0.004 0.000 2.780 408 D HA 0.487 5.135 4.640 0.014 0.000 0.242 408 D C 0.467 176.769 176.300 0.004 0.000 1.135 408 D CA -0.861 53.141 54.000 0.003 0.000 0.859 408 D CB 1.108 41.910 40.800 0.003 0.000 1.530 408 D HN -0.055 nan 8.370 nan 0.000 0.493 409 N N 0.856 119.558 118.700 0.003 0.000 2.453 409 N HA -0.146 4.602 4.740 0.014 0.000 0.183 409 N C 0.969 176.481 175.510 0.004 0.000 1.041 409 N CA 1.102 54.154 53.050 0.004 0.000 0.900 409 N CB 0.257 38.746 38.487 0.003 0.000 0.961 409 N HN 0.394 nan 8.380 nan 0.000 0.443 410 E N -0.047 120.155 120.200 0.003 0.000 2.122 410 E HA -0.088 4.270 4.350 0.014 0.000 0.190 410 E C 1.564 178.166 176.600 0.003 0.000 0.977 410 E CA 0.420 56.822 56.400 0.003 0.000 0.820 410 E CB -0.044 29.657 29.700 0.003 0.000 0.770 410 E HN 0.414 nan 8.360 nan 0.000 0.462 411 K N 1.230 121.631 120.400 0.003 0.000 2.026 411 K HA -0.124 4.204 4.320 0.014 0.000 0.208 411 K C 2.209 178.811 176.600 0.004 0.000 1.048 411 K CA 1.179 57.468 56.287 0.003 0.000 0.929 411 K CB -0.122 32.380 32.500 0.003 0.000 0.713 411 K HN 0.032 nan 8.250 nan 0.000 0.439 412 A N 0.836 123.659 122.820 0.004 0.000 1.909 412 A HA -0.277 4.051 4.320 0.014 0.000 0.221 412 A C 2.206 179.793 177.584 0.005 0.000 1.223 412 A CA 2.640 54.680 52.037 0.006 0.000 0.658 412 A CB -1.001 18.003 19.000 0.006 0.000 0.831 412 A HN 0.411 nan 8.150 nan 0.000 0.462 413 S N -0.966 114.738 115.700 0.005 0.000 2.383 413 S HA -0.119 4.359 4.470 0.014 0.000 0.227 413 S C 2.030 176.633 174.600 0.005 0.000 1.026 413 S CA 1.215 59.418 58.200 0.006 0.000 0.981 413 S CB -0.307 62.897 63.200 0.006 0.000 0.818 413 S HN 0.601 nan 8.310 nan 0.000 0.472 414 R N 1.129 121.631 120.500 0.004 0.000 2.081 414 R HA -0.031 4.317 4.340 0.014 0.000 0.235 414 R C 2.529 178.829 176.300 0.001 0.000 1.131 414 R CA 1.350 57.451 56.100 0.003 0.000 0.960 414 R CB -0.441 29.860 30.300 0.002 0.000 0.856 414 R HN 0.412 nan 8.270 nan 0.000 0.436 415 A N 1.066 123.886 122.820 0.001 0.000 1.855 415 A HA -0.108 4.220 4.320 0.014 0.000 0.213 415 A C 2.047 179.630 177.584 -0.002 0.000 1.195 415 A CA 0.686 52.722 52.037 -0.001 0.000 0.610 415 A CB -0.520 18.480 19.000 -0.000 0.000 0.837 415 A HN 0.169 nan 8.150 nan 0.000 0.444 416 L N 0.352 121.576 121.223 0.002 0.000 1.971 416 L HA -0.230 4.119 4.340 0.014 0.000 0.215 416 L C 2.611 179.484 176.870 0.004 0.000 1.072 416 L CA 2.482 57.324 54.840 0.004 0.000 0.758 416 L CB -0.970 41.094 42.059 0.009 0.000 0.889 416 L HN 0.541 nan 8.230 nan 0.000 0.433 417 c N -0.638 117.967 118.600 0.007 0.000 2.453 417 c HA -0.017 4.561 4.570 0.014 0.000 0.277 417 c C 2.748 176.842 174.090 0.008 0.000 1.262 417 c CA 0.413 56.749 56.329 0.010 0.000 1.718 417 c CB -2.069 40.447 42.510 0.011 0.000 2.031 417 c HN 0.735 nan 8.230 nan 0.000 0.480 418 G N 0.663 109.465 108.800 0.003 0.000 2.422 418 G HA2 -0.166 3.802 3.960 0.014 0.000 0.218 418 G HA3 -0.166 3.802 3.960 0.014 0.000 0.218 418 G C 1.318 176.212 174.900 -0.009 0.000 1.146 418 G CA 0.931 46.030 45.100 -0.001 0.000 0.769 418 G HN 0.588 nan 8.290 nan 0.000 0.547 419 N N -0.955 117.736 118.700 -0.014 0.000 2.159 419 N HA 0.177 4.925 4.740 0.014 0.000 0.217 419 N C -0.472 175.012 175.510 -0.044 0.000 1.223 419 N CA -0.250 52.783 53.050 -0.028 0.000 0.896 419 N CB 1.241 39.714 38.487 -0.022 0.000 1.064 419 N HN 0.273 nan 8.380 nan 0.000 0.518 420 L N 1.358 122.560 121.223 -0.035 0.000 2.307 420 L HA 0.406 4.754 4.340 0.014 0.000 0.284 420 L C -0.673 176.167 176.870 -0.049 0.000 1.023 420 L CA -0.261 54.551 54.840 -0.046 0.000 0.810 420 L CB 1.505 43.550 42.059 -0.022 0.000 1.231 420 L HN -0.095 nan 8.230 nan 0.000 0.423 421 Q N 4.565 124.299 119.800 -0.111 0.000 2.341 421 Q HA 0.583 4.931 4.340 0.014 0.000 0.268 421 Q C -1.646 174.329 176.000 -0.042 0.000 1.013 421 Q CA -0.605 55.125 55.803 -0.122 0.000 0.798 421 Q CB 2.292 30.714 28.738 -0.526 0.000 1.253 421 Q HN 0.584 nan 8.270 nan 0.000 0.457 422 L N 2.443 123.726 121.223 0.100 0.000 2.385 422 L HA 0.918 5.266 4.340 0.014 0.000 0.273 422 L C -1.724 175.267 176.870 0.200 0.000 0.990 422 L CA -0.261 54.650 54.840 0.118 0.000 0.821 422 L CB 1.921 44.026 42.059 0.077 0.000 1.279 422 L HN 0.673 nan 8.230 nan 0.000 0.412 423 A N 2.583 125.531 122.820 0.212 0.000 2.612 423 A HA 0.795 5.123 4.320 0.014 0.000 0.293 423 A C -0.989 176.693 177.584 0.162 0.000 1.075 423 A CA -0.560 51.599 52.037 0.203 0.000 0.680 423 A CB 1.292 20.475 19.000 0.305 0.000 1.279 423 A HN 0.613 nan 8.150 nan 0.000 0.411 424 S N 0.218 115.990 115.700 0.119 0.000 2.601 424 S HA 0.505 4.983 4.470 0.014 0.000 0.271 424 S C -0.214 174.462 174.600 0.126 0.000 1.305 424 S CA -0.225 58.053 58.200 0.130 0.000 1.022 424 S CB 0.429 63.692 63.200 0.105 0.000 0.940 424 S HN 0.704 nan 8.310 nan 0.000 0.525 425 F N 2.980 122.934 119.950 0.007 0.000 2.495 425 F HA 0.306 4.841 4.527 0.014 0.000 0.365 425 F C 0.672 176.321 175.800 -0.252 0.000 1.090 425 F CA 0.237 58.195 58.000 -0.071 0.000 1.235 425 F CB 0.333 39.284 39.000 -0.082 0.000 1.119 425 F HN 0.436 nan 8.300 nan 0.000 0.562 426 R N 2.924 122.772 120.500 -1.086 0.000 2.795 426 R HA 0.363 4.712 4.340 0.014 0.000 0.275 426 R C -0.092 175.240 176.300 -1.614 0.000 0.981 426 R CA -0.271 54.908 56.100 -1.535 0.000 0.917 426 R CB 1.888 31.718 30.300 -0.784 0.000 1.202 426 R HN 0.663 nan 8.270 nan 0.000 0.469 427 S N -1.530 113.220 115.700 -1.583 0.000 2.603 427 S HA 0.129 4.607 4.470 0.014 0.000 0.232 427 S C 0.361 174.439 174.600 -0.871 0.000 1.016 427 S CA -0.202 57.489 58.200 -0.850 0.000 0.976 427 S CB 0.301 62.993 63.200 -0.847 0.000 0.921 427 S HN 0.616 nan 8.310 nan 0.000 0.516 428 S N 0.161 115.282 115.700 -0.964 0.000 2.776 428 S HA 0.519 4.997 4.470 0.014 0.000 0.292 428 S C -0.640 173.674 174.600 -0.476 0.000 1.187 428 S CA -0.530 57.086 58.200 -0.972 0.000 0.834 428 S CB 0.501 63.458 63.200 -0.405 0.000 1.199 428 S HN -0.111 nan 8.310 nan 0.000 0.514 429 D N 1.119 121.408 120.400 -0.184 0.000 2.269 429 D HA 0.244 4.892 4.640 0.014 0.000 0.208 429 D C 0.991 177.282 176.300 -0.015 0.000 0.963 429 D CA 1.088 55.094 54.000 0.011 0.000 0.864 429 D CB -0.440 40.388 40.800 0.047 0.000 0.936 429 D HN 0.769 nan 8.370 nan 0.000 0.505 430 A N 0.321 123.129 122.820 -0.021 0.000 2.425 430 A HA 0.464 4.792 4.320 0.014 0.000 0.249 430 A C 1.457 179.075 177.584 0.058 0.000 1.084 430 A CA 0.347 52.389 52.037 0.009 0.000 0.781 430 A CB 0.775 19.776 19.000 0.001 0.000 1.019 430 A HN 0.117 nan 8.150 nan 0.000 0.490 431 A N 1.987 124.824 122.820 0.029 0.000 1.969 431 A HA 0.073 4.401 4.320 0.014 0.000 0.218 431 A C 1.082 178.699 177.584 0.054 0.000 1.169 431 A CA 1.777 53.845 52.037 0.051 0.000 0.635 431 A CB -0.305 18.700 19.000 0.009 0.000 0.810 431 A HN 0.877 nan 8.150 nan 0.000 0.445 432 K N -2.931 117.381 120.400 -0.147 0.000 2.469 432 K HA 0.387 4.715 4.320 0.014 0.000 0.268 432 K C -1.309 174.873 176.600 -0.696 0.000 1.027 432 K CA -1.144 54.826 56.287 -0.528 0.000 0.893 432 K CB 0.491 32.842 32.500 -0.249 0.000 1.460 432 K HN 0.159 nan 8.250 nan 0.000 0.449 433 W N 0.280 121.088 121.300 -0.820 0.000 2.187 433 W HA 0.089 4.757 4.660 0.013 0.000 0.348 433 W C 1.631 178.022 176.519 -0.214 0.000 1.282 433 W CA 0.282 57.356 57.345 -0.453 0.000 1.271 433 W CB 0.396 29.680 29.460 -0.292 0.000 1.170 433 W HN 0.882 nan 8.180 nan 0.000 0.583 434 A N 1.607 124.540 122.820 0.188 0.000 1.986 434 A HA -0.288 4.040 4.320 0.014 0.000 0.220 434 A C 1.687 179.305 177.584 0.057 0.000 1.171 434 A CA 2.047 54.138 52.037 0.090 0.000 0.640 434 A CB -0.768 18.285 19.000 0.088 0.000 0.811 434 A HN 0.736 nan 8.150 nan 0.000 0.451 435 D N -2.167 118.277 120.400 0.073 0.000 2.363 435 D HA 0.244 4.892 4.640 0.014 0.000 0.226 435 D C 1.189 177.493 176.300 0.006 0.000 1.020 435 D CA 1.156 55.179 54.000 0.039 0.000 0.892 435 D CB -0.464 40.371 40.800 0.059 0.000 0.900 435 D HN 0.795 nan 8.370 nan 0.000 0.531 436 G N -0.133 108.666 108.800 -0.002 0.000 2.254 436 G HA2 -0.239 3.729 3.960 0.014 0.000 0.225 436 G HA3 -0.239 3.729 3.960 0.014 0.000 0.225 436 G C 0.247 175.103 174.900 -0.073 0.000 1.003 436 G CA -0.058 45.018 45.100 -0.039 0.000 0.622 436 G HN 0.347 nan 8.290 nan 0.000 0.507 437 K N 1.891 122.233 120.400 -0.098 0.000 2.185 437 K HA 0.465 4.793 4.320 0.014 0.000 0.271 437 K C -2.321 174.246 176.600 -0.055 0.000 1.013 437 K CA -1.699 54.496 56.287 -0.153 0.000 0.943 437 K CB 1.401 33.604 32.500 -0.496 0.000 0.998 437 K HN 0.238 nan 8.250 nan 0.000 0.468 438 P HA 0.112 nan 4.420 nan 0.000 0.276 438 P C -0.804 176.523 177.300 0.045 0.000 1.244 438 P CA -0.256 62.813 63.100 -0.052 0.000 0.801 438 P CB 0.198 31.915 31.700 0.030 0.000 1.006 439 Y N 0.088 120.376 120.300 -0.019 0.000 2.496 439 Y HA 0.331 4.889 4.550 0.013 0.000 0.334 439 Y C 1.259 177.234 175.900 0.126 0.000 1.080 439 Y CA -0.428 57.685 58.100 0.023 0.000 1.355 439 Y CB -0.127 38.243 38.460 -0.150 0.000 1.193 439 Y HN 0.337 nan 8.280 nan 0.000 0.523 440 A N 4.860 127.832 122.820 0.253 0.000 2.289 440 A HA 0.584 4.912 4.320 0.014 0.000 0.298 440 A C -1.126 176.385 177.584 -0.122 0.000 1.208 440 A CA -0.600 51.442 52.037 0.008 0.000 0.845 440 A CB 0.500 19.320 19.000 -0.301 0.000 1.125 440 A HN 0.703 nan 8.150 nan 0.000 0.517 441 L N 2.224 123.387 121.223 -0.100 0.000 2.329 441 L HA 0.480 4.828 4.340 0.014 0.000 0.279 441 L C 0.432 177.300 176.870 -0.003 0.000 1.014 441 L CA 0.064 54.733 54.840 -0.285 0.000 0.814 441 L CB 1.238 43.047 42.059 -0.417 0.000 1.257 441 L HN 0.833 nan 8.230 nan 0.000 0.424 442 H N 3.303 122.299 119.070 -0.123 0.000 3.367 442 H HA 0.227 4.791 4.556 0.013 0.000 0.257 442 H C -0.311 175.119 175.328 0.170 0.000 1.201 442 H CA -0.321 55.797 56.048 0.116 0.000 1.102 442 H CB 0.279 30.152 29.762 0.184 0.000 1.656 442 H HN 0.777 nan 8.280 nan 0.000 0.662 443 H N 1.721 120.811 119.070 0.032 0.000 3.119 443 H HA -0.074 4.490 4.556 0.013 0.000 0.334 443 H C -0.086 175.243 175.328 0.003 0.000 1.042 443 H CA 0.543 56.608 56.048 0.027 0.000 1.354 443 H CB 0.821 30.606 29.762 0.039 0.000 1.285 443 H HN 0.096 nan 8.280 nan 0.000 0.601 444 K N 2.811 123.310 120.400 0.165 0.000 2.606 444 K HA 0.244 4.572 4.320 0.014 0.000 0.196 444 K C -1.410 175.335 176.600 0.242 0.000 1.048 444 K CA -0.344 56.037 56.287 0.156 0.000 1.017 444 K CB 0.791 33.376 32.500 0.140 0.000 1.413 444 K HN 0.192 nan 8.250 nan 0.000 0.568 445 L N 1.135 122.485 121.223 0.212 0.000 2.346 445 L HA 0.656 5.004 4.340 0.014 0.000 0.276 445 L C -1.272 175.705 176.870 0.179 0.000 1.006 445 L CA -0.814 54.148 54.840 0.203 0.000 0.817 445 L CB 1.809 43.928 42.059 0.100 0.000 1.272 445 L HN 0.183 nan 8.230 nan 0.000 0.421 446 V N 3.428 123.463 119.914 0.202 0.000 2.638 446 V HA 0.700 4.828 4.120 0.014 0.000 0.306 446 V C -0.494 175.688 176.094 0.147 0.000 1.052 446 V CA -0.487 61.884 62.300 0.118 0.000 0.885 446 V CB 1.711 33.557 31.823 0.039 0.000 0.999 446 V HN 0.828 nan 8.190 nan 0.000 0.424 447 S N 2.983 118.732 115.700 0.082 0.000 2.526 447 S HA 0.852 5.330 4.470 0.014 0.000 0.293 447 S C -1.327 173.235 174.600 -0.065 0.000 1.092 447 S CA -0.435 57.804 58.200 0.065 0.000 0.980 447 S CB 1.866 65.104 63.200 0.063 0.000 1.048 447 S HN 0.527 nan 8.310 nan 0.000 0.483 448 V N 4.337 124.162 119.914 -0.149 0.000 2.525 448 V HA 0.398 4.526 4.120 0.014 0.000 0.299 448 V C -0.881 174.957 176.094 -0.427 0.000 1.034 448 V CA -0.444 61.689 62.300 -0.278 0.000 0.863 448 V CB 1.680 33.375 31.823 -0.214 0.000 0.999 448 V HN 1.084 nan 8.190 nan 0.000 0.423 449 D N 2.737 122.747 120.400 -0.650 0.000 2.983 449 D HA -0.174 4.474 4.640 0.014 0.000 0.225 449 D C 0.443 176.629 176.300 -0.189 0.000 1.174 449 D CA 1.362 55.078 54.000 -0.473 0.000 0.831 449 D CB -0.829 39.891 40.800 -0.134 0.000 1.104 449 D HN 0.893 nan 8.370 nan 0.000 0.421 450 D N -1.688 118.623 120.400 -0.148 0.000 2.702 450 D HA -0.202 4.446 4.640 0.014 0.000 0.233 450 D C 0.652 176.962 176.300 0.016 0.000 1.164 450 D CA 1.446 55.468 54.000 0.037 0.000 0.638 450 D CB -1.107 39.778 40.800 0.142 0.000 1.041 450 D HN 0.433 nan 8.370 nan 0.000 0.422 451 S N -1.742 113.919 115.700 -0.066 0.000 3.084 451 S HA 0.428 4.906 4.470 0.014 0.000 0.262 451 S C 0.413 174.962 174.600 -0.086 0.000 1.081 451 S CA 0.397 58.548 58.200 -0.081 0.000 0.855 451 S CB 1.311 64.410 63.200 -0.168 0.000 0.857 451 S HN 0.514 nan 8.310 nan 0.000 0.449 452 A N 1.763 124.473 122.820 -0.184 0.000 2.455 452 A HA 0.795 5.124 4.320 0.014 0.000 0.300 452 A C -1.289 176.286 177.584 -0.014 0.000 1.040 452 A CA -0.704 51.224 52.037 -0.181 0.000 0.697 452 A CB 0.860 19.698 19.000 -0.270 0.000 1.265 452 A HN 0.466 nan 8.150 nan 0.000 0.407 453 F N -0.251 119.664 119.950 -0.058 0.000 2.613 453 F HA 0.742 5.277 4.527 0.013 0.000 0.310 453 F C -1.227 174.609 175.800 0.059 0.000 1.085 453 F CA -1.370 56.631 58.000 0.002 0.000 0.945 453 F CB 1.198 40.215 39.000 0.029 0.000 1.298 453 F HN 0.580 nan 8.300 nan 0.000 0.455 454 Y N 3.169 123.525 120.300 0.094 0.000 2.328 454 Y HA 0.764 5.322 4.550 0.013 0.000 0.337 454 Y C -1.295 174.700 175.900 0.158 0.000 1.008 454 Y CA -1.167 56.953 58.100 0.033 0.000 1.129 454 Y CB 1.141 39.582 38.460 -0.030 0.000 1.185 454 Y HN 0.662 nan 8.280 nan 0.000 0.476 455 I N 6.595 127.002 120.570 -0.272 0.000 2.418 455 I HA 0.705 4.883 4.170 0.014 0.000 0.287 455 I C 0.165 175.855 176.117 -0.711 0.000 1.008 455 I CA -0.227 60.917 61.300 -0.260 0.000 1.104 455 I CB 1.632 39.683 38.000 0.085 0.000 1.264 455 I HN 0.845 nan 8.210 nan 0.000 0.438 456 G N 2.583 110.985 108.800 -0.663 0.000 2.588 456 G HA2 0.252 4.220 3.960 0.014 0.000 0.281 456 G HA3 0.252 4.220 3.960 0.014 0.000 0.281 456 G C 0.037 174.894 174.900 -0.071 0.000 1.223 456 G CA 0.304 45.102 45.100 -0.503 0.000 0.871 456 G HN 0.463 nan 8.290 nan 0.000 0.492 457 S N -1.233 114.479 115.700 0.019 0.000 2.502 457 S HA 0.224 4.702 4.470 0.014 0.000 0.215 457 S C 0.840 175.458 174.600 0.031 0.000 1.009 457 S CA 0.563 58.783 58.200 0.034 0.000 0.908 457 S CB 0.173 63.388 63.200 0.025 0.000 0.801 457 S HN 0.439 nan 8.310 nan 0.000 0.505 458 K N 4.033 124.495 120.400 0.103 0.000 2.338 458 K HA 0.219 4.547 4.320 0.014 0.000 0.290 458 K C -0.486 176.019 176.600 -0.158 0.000 1.069 458 K CA -0.211 56.036 56.287 -0.066 0.000 0.941 458 K CB -0.190 32.235 32.500 -0.124 0.000 1.023 458 K HN 0.243 nan 8.250 nan 0.000 0.477 459 N N 4.513 123.044 118.700 -0.283 0.000 2.482 459 N HA 0.010 4.758 4.740 0.014 0.000 0.260 459 N C 0.753 176.053 175.510 -0.350 0.000 1.236 459 N CA -0.049 52.769 53.050 -0.388 0.000 0.938 459 N CB 0.725 38.672 38.487 -0.900 0.000 1.128 459 N HN 0.533 nan 8.380 nan 0.000 0.448 460 L N 0.772 121.875 121.223 -0.201 0.000 2.313 460 L HA -0.048 4.300 4.340 0.014 0.000 0.214 460 L C 0.619 177.485 176.870 -0.007 0.000 1.119 460 L CA 0.401 55.180 54.840 -0.101 0.000 0.809 460 L CB -0.348 41.687 42.059 -0.040 0.000 0.933 460 L HN 0.587 nan 8.230 nan 0.000 0.449 461 Y N -0.510 119.796 120.300 0.010 0.000 2.326 461 Y HA 0.396 4.954 4.550 0.013 0.000 0.333 461 Y C -2.378 173.508 175.900 -0.024 0.000 1.240 461 Y CA -3.915 54.201 58.100 0.027 0.000 1.365 461 Y CB -1.097 37.375 38.460 0.020 0.000 1.289 461 Y HN -0.171 nan 8.280 nan 0.000 0.548 462 P HA 0.267 nan 4.420 nan 0.000 0.260 462 P C -1.086 176.099 177.300 -0.192 0.000 1.185 462 P CA 0.896 63.981 63.100 -0.025 0.000 0.763 462 P CB 0.332 32.010 31.700 -0.036 0.000 0.776 463 A N 3.619 126.237 122.820 -0.336 0.000 2.566 463 A HA 0.521 4.849 4.320 0.014 0.000 0.297 463 A C -1.481 175.960 177.584 -0.238 0.000 1.059 463 A CA -0.615 51.148 52.037 -0.456 0.000 0.691 463 A CB 1.091 19.891 19.000 -0.333 0.000 1.282 463 A HN 0.407 nan 8.150 nan 0.000 0.401 464 W N 3.106 124.313 121.300 -0.154 0.000 1.948 464 W HA 0.497 5.164 4.660 0.012 0.000 0.335 464 W C -0.687 175.739 176.519 -0.155 0.000 0.753 464 W CA -0.548 56.768 57.345 -0.048 0.000 2.601 464 W CB -0.378 29.022 29.460 -0.100 0.000 2.143 464 W HN 0.433 nan 8.180 nan 0.000 0.636 465 L N 0.517 121.703 121.223 -0.060 0.000 2.304 465 L HA 0.471 4.819 4.340 0.014 0.000 0.268 465 L C 0.279 177.079 176.870 -0.117 0.000 1.010 465 L CA -1.368 53.317 54.840 -0.258 0.000 0.813 465 L CB 0.904 42.708 42.059 -0.425 0.000 1.315 465 L HN -0.281 nan 8.230 nan 0.000 0.445 466 Q N 1.220 120.948 119.800 -0.121 0.000 2.323 466 Q HA 0.275 4.623 4.340 0.014 0.000 0.257 466 Q C -1.244 174.813 176.000 0.095 0.000 1.022 466 Q CA 0.226 56.036 55.803 0.011 0.000 0.919 466 Q CB 0.610 29.337 28.738 -0.019 0.000 1.220 466 Q HN 0.262 nan 8.270 nan 0.000 0.427 467 D N 1.004 121.479 120.400 0.125 0.000 2.533 467 D HA 0.630 5.278 4.640 0.014 0.000 0.247 467 D C -1.287 175.045 176.300 0.053 0.000 1.056 467 D CA -0.416 53.630 54.000 0.077 0.000 1.054 467 D CB 1.774 42.570 40.800 -0.007 0.000 1.400 467 D HN 0.306 nan 8.370 nan 0.000 0.533 468 F N -0.720 119.100 119.950 -0.216 0.000 2.703 468 F HA 0.535 5.070 4.527 0.013 0.000 0.308 468 F C -0.897 174.729 175.800 -0.291 0.000 1.126 468 F CA -0.087 57.652 58.000 -0.434 0.000 0.959 468 F CB 1.732 40.245 39.000 -0.811 0.000 1.297 468 F HN 0.430 nan 8.300 nan 0.000 0.441 469 G N 1.805 109.875 108.800 -1.217 0.000 2.495 469 G HA2 0.492 4.460 3.960 0.014 0.000 0.294 469 G HA3 0.492 4.460 3.960 0.014 0.000 0.294 469 G C -2.707 171.454 174.900 -1.232 0.000 1.397 469 G CA -0.669 43.787 45.100 -1.073 0.000 0.790 469 G HN 0.525 nan 8.290 nan 0.000 0.486 470 Y N -0.546 119.328 120.300 -0.710 0.000 2.429 470 Y HA 0.691 5.250 4.550 0.014 0.000 0.342 470 Y C 0.452 176.127 175.900 -0.375 0.000 1.004 470 Y CA -1.102 56.730 58.100 -0.447 0.000 1.075 470 Y CB 2.069 40.365 38.460 -0.272 0.000 1.214 470 Y HN 0.349 nan 8.280 nan 0.000 0.455 471 I N 3.692 124.221 120.570 -0.069 0.000 2.362 471 I HA 0.418 4.596 4.170 0.014 0.000 0.289 471 I C -0.977 174.955 176.117 -0.309 0.000 0.994 471 I CA -0.948 60.253 61.300 -0.164 0.000 1.158 471 I CB 1.241 39.204 38.000 -0.062 0.000 1.315 471 I HN 0.176 nan 8.210 nan 0.000 0.451 472 V N 5.422 124.955 119.914 -0.635 0.000 2.398 472 V HA 0.292 4.421 4.120 0.014 0.000 0.286 472 V C -0.041 175.717 176.094 -0.560 0.000 1.026 472 V CA -0.619 61.263 62.300 -0.697 0.000 0.868 472 V CB 1.683 32.852 31.823 -1.089 0.000 0.982 472 V HN 0.731 nan 8.190 nan 0.000 0.443 473 E N 3.173 123.195 120.200 -0.297 0.000 2.092 473 E HA 0.595 4.954 4.350 0.014 0.000 0.271 473 E C -0.704 175.829 176.600 -0.111 0.000 0.919 473 E CA -0.120 56.180 56.400 -0.168 0.000 0.760 473 E CB 1.144 30.803 29.700 -0.068 0.000 1.106 473 E HN 0.712 nan 8.360 nan 0.000 0.408 474 S N 4.888 120.557 115.700 -0.051 0.000 2.550 474 S HA 0.255 4.733 4.470 0.014 0.000 0.274 474 S C -2.462 172.177 174.600 0.064 0.000 1.110 474 S CA -1.039 57.158 58.200 -0.005 0.000 1.013 474 S CB 1.056 64.234 63.200 -0.037 0.000 1.152 474 S HN 0.357 nan 8.310 nan 0.000 0.450 475 P HA -0.080 nan 4.420 nan 0.000 0.215 475 P C 1.608 178.955 177.300 0.078 0.000 1.157 475 P CA 2.012 65.150 63.100 0.064 0.000 0.874 475 P CB 0.095 31.823 31.700 0.047 0.000 0.790 476 A N 0.103 122.963 122.820 0.066 0.000 1.865 476 A HA -0.191 4.137 4.320 0.014 0.000 0.217 476 A C 2.379 180.042 177.584 0.132 0.000 1.191 476 A CA 2.541 54.625 52.037 0.079 0.000 0.623 476 A CB -1.720 17.314 19.000 0.055 0.000 0.826 476 A HN 0.200 nan 8.150 nan 0.000 0.444 477 A N -0.469 122.436 122.820 0.142 0.000 1.940 477 A HA 0.135 4.463 4.320 0.014 0.000 0.219 477 A C 2.433 180.192 177.584 0.293 0.000 1.176 477 A CA 2.225 54.410 52.037 0.247 0.000 0.631 477 A CB -0.888 18.155 19.000 0.071 0.000 0.814 477 A HN 1.147 nan 8.150 nan 0.000 0.446 478 A N -1.153 121.812 122.820 0.243 0.000 2.067 478 A HA -0.072 4.256 4.320 0.014 0.000 0.217 478 A C 2.098 179.714 177.584 0.054 0.000 1.156 478 A CA 1.393 53.503 52.037 0.122 0.000 0.683 478 A CB -0.427 18.699 19.000 0.210 0.000 0.808 478 A HN 0.665 nan 8.150 nan 0.000 0.455 479 Q N -0.262 119.585 119.800 0.079 0.000 2.084 479 Q HA -0.251 4.097 4.340 0.014 0.000 0.202 479 Q C 2.066 178.084 176.000 0.030 0.000 0.978 479 Q CA 1.871 57.704 55.803 0.050 0.000 0.844 479 Q CB -0.153 28.619 28.738 0.056 0.000 0.898 479 Q HN 0.795 nan 8.270 nan 0.000 0.426 480 Q N -0.073 119.773 119.800 0.077 0.000 2.119 480 Q HA -0.152 4.196 4.340 0.014 0.000 0.201 480 Q C 2.138 178.088 176.000 -0.082 0.000 0.972 480 Q CA 1.083 56.909 55.803 0.038 0.000 0.847 480 Q CB -0.070 28.773 28.738 0.174 0.000 0.903 480 Q HN 0.313 nan 8.270 nan 0.000 0.433 481 L N 1.564 122.731 121.223 -0.093 0.000 1.994 481 L HA -0.206 4.142 4.340 0.014 0.000 0.208 481 L C 2.291 179.073 176.870 -0.145 0.000 1.071 481 L CA 1.945 56.655 54.840 -0.217 0.000 0.745 481 L CB -0.533 41.291 42.059 -0.391 0.000 0.892 481 L HN 0.047 nan 8.230 nan 0.000 0.431 482 K N -1.437 118.910 120.400 -0.089 0.000 2.059 482 K HA -0.224 4.104 4.320 0.014 0.000 0.212 482 K C 1.760 178.305 176.600 -0.092 0.000 1.050 482 K CA 2.343 58.594 56.287 -0.060 0.000 0.927 482 K CB -0.290 32.198 32.500 -0.019 0.000 0.714 482 K HN 0.474 nan 8.250 nan 0.000 0.447 483 T N 0.838 115.335 114.554 -0.094 0.000 2.851 483 T HA -0.015 4.343 4.350 0.014 0.000 0.262 483 T C 1.495 176.097 174.700 -0.163 0.000 1.043 483 T CA 0.901 62.935 62.100 -0.110 0.000 1.140 483 T CB -0.022 68.801 68.868 -0.076 0.000 0.872 483 T HN 0.253 nan 8.240 nan 0.000 0.446 484 E N 0.185 120.290 120.200 -0.159 0.000 2.230 484 E HA 0.141 4.499 4.350 0.014 0.000 0.192 484 E C 1.612 178.097 176.600 -0.192 0.000 0.987 484 E CA 0.512 56.812 56.400 -0.168 0.000 0.841 484 E CB 0.127 29.731 29.700 -0.161 0.000 0.783 484 E HN 0.276 nan 8.360 nan 0.000 0.481 485 L N -1.201 119.918 121.223 -0.174 0.000 2.678 485 L HA 0.187 4.535 4.340 0.014 0.000 0.187 485 L C 1.810 178.629 176.870 -0.084 0.000 1.073 485 L CA 0.617 55.412 54.840 -0.075 0.000 0.883 485 L CB -0.604 41.475 42.059 0.034 0.000 1.501 485 L HN -0.048 nan 8.230 nan 0.000 0.488 486 L N 0.056 121.249 121.223 -0.050 0.000 2.027 486 L HA -0.121 4.228 4.340 0.014 0.000 0.206 486 L C 2.031 178.889 176.870 -0.020 0.000 1.074 486 L CA 1.407 56.255 54.840 0.013 0.000 0.745 486 L CB -0.668 41.403 42.059 0.020 0.000 0.898 486 L HN 0.252 nan 8.230 nan 0.000 0.433 487 D N -0.110 120.239 120.400 -0.085 0.000 2.092 487 D HA -0.141 4.507 4.640 0.014 0.000 0.193 487 D C -0.457 175.725 176.300 -0.197 0.000 0.994 487 D CA 1.521 55.465 54.000 -0.093 0.000 0.828 487 D CB -1.438 39.289 40.800 -0.121 0.000 0.963 487 D HN 0.204 nan 8.370 nan 0.000 0.450 488 P HA -0.138 nan 4.420 nan 0.000 0.216 488 P C 1.266 178.271 177.300 -0.492 0.000 1.150 488 P CA 1.356 64.060 63.100 -0.661 0.000 0.837 488 P CB -0.089 30.802 31.700 -1.350 0.000 0.786 489 E N -1.268 118.744 120.200 -0.314 0.000 2.110 489 E HA -0.216 4.142 4.350 0.014 0.000 0.193 489 E C 1.909 178.578 176.600 0.116 0.000 0.988 489 E CA 0.963 57.435 56.400 0.120 0.000 0.804 489 E CB -0.701 29.265 29.700 0.444 0.000 0.745 489 E HN 0.340 nan 8.360 nan 0.000 0.458 490 W N 1.878 123.110 121.300 -0.113 0.000 2.409 490 W HA -0.146 4.522 4.660 0.013 0.000 0.299 490 W C 2.215 178.623 176.519 -0.184 0.000 1.203 490 W CA 1.325 58.602 57.345 -0.113 0.000 1.298 490 W CB -0.042 29.361 29.460 -0.094 0.000 1.127 490 W HN 0.069 nan 8.180 nan 0.000 0.528 491 K N -0.113 120.087 120.400 -0.333 0.000 2.071 491 K HA -0.309 4.019 4.320 0.014 0.000 0.217 491 K C 1.692 177.887 176.600 -0.674 0.000 1.054 491 K CA 2.663 58.591 56.287 -0.599 0.000 0.937 491 K CB -0.783 31.241 32.500 -0.793 0.000 0.719 491 K HN 0.172 nan 8.250 nan 0.000 0.454 492 Y N -0.520 119.604 120.300 -0.293 0.000 2.479 492 Y HA 0.144 4.702 4.550 0.013 0.000 0.283 492 Y C 2.418 178.087 175.900 -0.385 0.000 1.109 492 Y CA 0.530 58.447 58.100 -0.305 0.000 1.239 492 Y CB 0.239 38.541 38.460 -0.265 0.000 1.108 492 Y HN 0.041 nan 8.280 nan 0.000 0.548 493 S N 0.327 115.864 115.700 -0.272 0.000 2.461 493 S HA -0.174 4.304 4.470 0.014 0.000 0.228 493 S C 1.878 176.218 174.600 -0.433 0.000 1.005 493 S CA 0.904 58.942 58.200 -0.270 0.000 0.942 493 S CB -0.383 62.766 63.200 -0.085 0.000 0.776 493 S HN 0.619 nan 8.310 nan 0.000 0.514 494 Q N 1.280 120.516 119.800 -0.939 0.000 2.308 494 Q HA -0.205 4.143 4.340 0.014 0.000 0.209 494 Q C 1.572 177.272 176.000 -0.500 0.000 0.985 494 Q CA 1.315 56.411 55.803 -1.179 0.000 0.881 494 Q CB -0.523 27.241 28.738 -1.625 0.000 0.917 494 Q HN 0.366 nan 8.270 nan 0.000 0.443 495 Q N 0.584 120.175 119.800 -0.348 0.000 2.291 495 Q HA 0.017 4.366 4.340 0.014 0.000 0.206 495 Q C 0.902 176.827 176.000 -0.124 0.000 0.976 495 Q CA 1.551 57.240 55.803 -0.190 0.000 0.875 495 Q CB 0.162 28.815 28.738 -0.141 0.000 0.927 495 Q HN 0.569 nan 8.270 nan 0.000 0.450 496 A N -0.823 121.922 122.820 -0.125 0.000 2.676 496 A HA 0.664 4.992 4.320 0.014 0.000 0.297 496 A C 0.000 177.581 177.584 -0.005 0.000 1.132 496 A CA -0.108 51.900 52.037 -0.048 0.000 0.972 496 A CB 0.033 19.015 19.000 -0.030 0.000 1.197 496 A HN 0.195 nan 8.150 nan 0.000 0.524 497 A N 0.552 123.364 122.820 -0.014 0.000 2.477 497 A HA 0.589 4.917 4.320 0.014 0.000 0.246 497 A C 0.737 178.364 177.584 0.071 0.000 1.078 497 A CA 0.430 52.516 52.037 0.081 0.000 0.770 497 A CB 0.036 19.112 19.000 0.126 0.000 1.011 497 A HN 1.498 nan 8.150 nan 0.000 0.494 498 A N 2.878 125.751 122.820 0.089 0.000 2.320 498 A HA 0.543 4.872 4.320 0.014 0.000 0.287 498 A C 0.578 178.200 177.584 0.063 0.000 1.181 498 A CA -0.229 51.847 52.037 0.065 0.000 0.831 498 A CB -0.283 18.755 19.000 0.063 0.000 1.102 498 A HN 0.853 nan 8.150 nan 0.000 0.513 499 T N 5.644 120.226 114.554 0.046 0.000 2.727 499 T HA 0.384 4.742 4.350 0.014 0.000 0.295 499 T C -2.225 172.494 174.700 0.032 0.000 0.915 499 T CA -0.509 61.614 62.100 0.039 0.000 1.066 499 T CB 0.107 68.992 68.868 0.029 0.000 0.891 499 T HN 0.505 nan 8.240 nan 0.000 0.516 500 P HA 0.243 nan 4.420 nan 0.000 0.268 500 P C -0.170 177.142 177.300 0.020 0.000 1.208 500 P CA -0.440 62.675 63.100 0.026 0.000 0.777 500 P CB 0.321 32.036 31.700 0.024 0.000 0.875 501 A N 2.069 124.899 122.820 0.016 0.000 2.565 501 A HA 0.368 4.696 4.320 0.014 0.000 0.237 501 A C 1.545 179.135 177.584 0.011 0.000 1.053 501 A CA 0.784 52.829 52.037 0.012 0.000 0.755 501 A CB -1.364 17.642 19.000 0.010 0.000 0.980 501 A HN 0.950 nan 8.150 nan 0.000 0.506 502 G N 0.331 109.137 108.800 0.010 0.000 2.179 502 G HA2 -0.231 3.737 3.960 0.014 0.000 0.260 502 G HA3 -0.231 3.737 3.960 0.014 0.000 0.260 502 G C 0.220 175.126 174.900 0.010 0.000 0.977 502 G CA 0.291 45.397 45.100 0.008 0.000 0.641 502 G HN 1.273 nan 8.290 nan 0.000 0.533 503 c N 1.217 119.824 118.600 0.012 0.000 2.493 503 c HA 0.724 5.302 4.570 0.014 0.000 0.326 503 c C -0.729 173.368 174.090 0.013 0.000 1.200 503 c CA -1.318 55.019 56.329 0.013 0.000 1.739 503 c CB 1.088 43.609 42.510 0.017 0.000 2.300 503 c HN 0.478 nan 8.230 nan 0.000 0.500 504 P HA 0.000 nan 4.420 nan 0.000 0.216 504 P CA 0.000 63.106 63.100 0.010 0.000 0.800 504 P CB 0.000 31.706 31.700 0.010 0.000 0.726