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 1lxt_1_B DATA FIRST_RESID 1 DATA SEQUENCE VKIVTVKTKA YPDQKPGTSG LRKRVKVFQS STNYAENFIQ SIISTVEPAQ DATA SEQUENCE RQEATLVVGG DGRFYMKEAI QLIVRIAAAN GIGRLVIGQN GILSTPAVSC DATA SEQUENCE IIRKIKAIGG IILTASHNPG GPNGDFGIKF NISNGGPAPE AITDKIFQIS DATA SEQUENCE KTIEEYAICP DLKVDLGVLG KQQFDLENKF KPFTVEIVDS VEAYATMLRN DATA SEQUENCE IFDFNALKEL LSGPNRLKIR IDAMHGVVGP YVKKILCEEL GAPANSAVNC DATA SEQUENCE VPLEDFGGHH PDPNLTYAAD LVETMKSGEH DFGAAFDGDG DRNMILGKHG DATA SEQUENCE FFVNPSDSVA VIAANIFSIP YFQQTGVRGF ARSMPTSGAL DRVANATKIA DATA SEQUENCE LYETPTGWKF FGNLMDASKL SLCGEESFGT GSDHIREKDG LWAVLAWLSI DATA SEQUENCE LATRKQSVED ILKDHWHKFG RNFFTRYDYE EVEAEGATKM MKDLEALMFD DATA SEQUENCE RSFVGKQFSA NDKVYTVEKA DNFEYHDPVD GSVSKNQGLR LIFADGSRII DATA SEQUENCE FRLSGTGSAG ATIRLYIDSY EKDNAKINQD PQVMLAPLIS IALKVSQLQE DATA SEQUENCE RTGRTAPTVI T 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 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.118 176.094 0.039 0.000 1.182 1 V CA 0.000 62.340 62.300 0.067 0.000 1.235 1 V CB 0.000 31.865 31.823 0.069 0.000 1.184 2 K N 3.798 124.212 120.400 0.023 0.000 2.350 2 K HA 0.639 4.959 4.320 0.001 0.000 0.279 2 K C -0.482 176.116 176.600 -0.004 0.000 1.027 2 K CA -0.424 55.870 56.287 0.011 0.000 0.969 2 K CB 1.549 34.054 32.500 0.009 0.000 0.954 2 K HN 0.733 nan 8.250 nan 0.000 0.474 3 I N 4.041 124.607 120.570 -0.006 0.000 2.256 3 I HA 0.047 4.218 4.170 0.001 0.000 0.294 3 I C -0.560 175.548 176.117 -0.015 0.000 1.127 3 I CA -0.876 60.413 61.300 -0.017 0.000 1.247 3 I CB 1.024 39.014 38.000 -0.016 0.000 1.460 3 I HN 0.418 nan 8.210 nan 0.000 0.511 4 V N 5.541 125.446 119.914 -0.016 0.000 2.498 4 V HA 0.160 4.281 4.120 0.001 0.000 0.279 4 V C 0.593 176.666 176.094 -0.035 0.000 1.048 4 V CA -0.077 62.210 62.300 -0.022 0.000 0.967 4 V CB 1.490 33.303 31.823 -0.018 0.000 0.988 4 V HN 0.600 nan 8.190 nan 0.000 0.473 5 T N 5.139 119.661 114.554 -0.053 0.000 2.743 5 T HA 0.414 4.765 4.350 0.001 0.000 0.292 5 T C -0.178 174.427 174.700 -0.158 0.000 0.972 5 T CA -0.196 61.853 62.100 -0.085 0.000 0.967 5 T CB 1.202 70.034 68.868 -0.061 0.000 0.926 5 T HN 0.348 nan 8.240 nan 0.000 0.459 6 V N 4.938 124.663 119.914 -0.314 0.000 2.439 6 V HA 0.311 4.431 4.120 0.001 0.000 0.282 6 V C 0.588 176.430 176.094 -0.420 0.000 1.039 6 V CA -0.811 61.219 62.300 -0.449 0.000 0.913 6 V CB 1.460 32.812 31.823 -0.784 0.000 0.983 6 V HN 0.601 nan 8.190 nan 0.000 0.460 7 K N 3.332 123.589 120.400 -0.239 0.000 2.315 7 K HA 0.236 4.556 4.320 0.001 0.000 0.291 7 K C 0.050 176.582 176.600 -0.114 0.000 1.074 7 K CA 0.352 56.556 56.287 -0.140 0.000 0.936 7 K CB 0.771 33.223 32.500 -0.080 0.000 1.049 7 K HN 0.856 nan 8.250 nan 0.000 0.471 8 T N 2.926 117.447 114.554 -0.056 0.000 2.876 8 T HA 0.490 4.840 4.350 0.001 0.000 0.277 8 T C -0.908 173.841 174.700 0.082 0.000 0.997 8 T CA -0.591 61.551 62.100 0.070 0.000 0.966 8 T CB 0.698 69.721 68.868 0.257 0.000 1.312 8 T HN 0.477 nan 8.240 nan 0.000 0.598 9 K N 1.205 121.679 120.400 0.122 0.000 2.637 9 K HA 0.603 4.923 4.320 0.001 0.000 0.248 9 K C -0.609 176.056 176.600 0.109 0.000 0.971 9 K CA -0.727 55.601 56.287 0.068 0.000 0.858 9 K CB 1.746 34.243 32.500 -0.006 0.000 1.170 9 K HN 0.759 nan 8.250 nan 0.000 0.443 10 A N 2.522 125.408 122.820 0.110 0.000 2.583 10 A HA 0.042 4.362 4.320 0.001 0.000 0.231 10 A C -0.817 176.858 177.584 0.152 0.000 1.065 10 A CA 0.741 52.881 52.037 0.171 0.000 0.760 10 A CB -0.073 18.989 19.000 0.103 0.000 1.001 10 A HN 0.575 nan 8.150 nan 0.000 0.509 11 Y N 1.449 121.842 120.300 0.154 0.000 2.457 11 Y HA 0.432 4.982 4.550 0.001 0.000 0.333 11 Y C -1.032 174.966 175.900 0.163 0.000 1.119 11 Y CA -1.479 56.719 58.100 0.163 0.000 1.143 11 Y CB 1.714 40.347 38.460 0.288 0.000 1.230 11 Y HN 0.551 nan 8.280 nan 0.000 0.469 12 P HA -0.076 nan 4.420 nan 0.000 0.220 12 P C 0.339 177.840 177.300 0.335 0.000 1.154 12 P CA 1.350 64.584 63.100 0.223 0.000 0.830 12 P CB 0.481 32.250 31.700 0.116 0.000 0.803 13 D N 0.320 120.900 120.400 0.301 0.000 2.328 13 D HA -0.075 4.566 4.640 0.001 0.000 0.221 13 D C 0.760 177.160 176.300 0.166 0.000 1.072 13 D CA 0.009 54.139 54.000 0.215 0.000 0.850 13 D CB -0.416 40.454 40.800 0.117 0.000 0.922 13 D HN 0.360 nan 8.370 nan 0.000 0.516 14 Q N 0.947 120.905 119.800 0.263 0.000 3.150 14 Q HA 0.136 4.477 4.340 0.001 0.000 0.297 14 Q C -0.370 175.607 176.000 -0.039 0.000 1.382 14 Q CA -0.539 55.274 55.803 0.017 0.000 1.059 14 Q CB 0.203 28.875 28.738 -0.110 0.000 1.559 14 Q HN -0.049 nan 8.270 nan 0.000 0.548 15 K N 3.367 123.557 120.400 -0.350 0.000 2.268 15 K HA 0.290 4.610 4.320 0.001 0.000 0.276 15 K C -2.221 174.190 176.600 -0.316 0.000 1.080 15 K CA -2.030 53.806 56.287 -0.752 0.000 0.910 15 K CB 0.938 32.681 32.500 -1.261 0.000 1.163 15 K HN 0.393 nan 8.250 nan 0.000 0.465 16 P HA 0.045 nan 4.420 nan 0.000 0.268 16 P C -0.106 177.187 177.300 -0.011 0.000 1.205 16 P CA -0.162 62.952 63.100 0.023 0.000 0.771 16 P CB 1.149 33.005 31.700 0.260 0.000 0.858 17 G N 0.725 109.525 108.800 -0.000 0.000 2.613 17 G HA2 0.374 4.334 3.960 0.001 0.000 0.303 17 G HA3 0.374 4.334 3.960 0.001 0.000 0.303 17 G C 1.040 175.961 174.900 0.035 0.000 1.312 17 G CA -0.140 44.963 45.100 0.005 0.000 1.036 17 G HN 0.519 nan 8.290 nan 0.000 0.513 18 T N -2.914 111.660 114.554 0.033 0.000 3.098 18 T HA -0.036 4.314 4.350 0.001 0.000 0.266 18 T C 1.698 176.424 174.700 0.043 0.000 1.145 18 T CA 1.480 63.600 62.100 0.035 0.000 1.092 18 T CB 0.086 68.965 68.868 0.018 0.000 0.908 18 T HN 0.217 nan 8.240 nan 0.000 0.526 19 S N 0.247 115.972 115.700 0.042 0.000 2.582 19 S HA 0.555 5.026 4.470 0.001 0.000 0.234 19 S C 1.066 175.685 174.600 0.032 0.000 0.961 19 S CA 0.174 58.395 58.200 0.035 0.000 0.953 19 S CB -0.808 62.411 63.200 0.032 0.000 0.800 19 S HN 1.140 nan 8.310 nan 0.000 0.471 20 G N 1.237 110.074 108.800 0.061 0.000 2.741 20 G HA2 -0.234 3.727 3.960 0.001 0.000 0.222 20 G HA3 -0.234 3.727 3.960 0.001 0.000 0.222 20 G C -0.628 174.305 174.900 0.054 0.000 1.364 20 G CA -0.314 44.846 45.100 0.100 0.000 0.866 20 G HN 0.589 nan 8.290 nan 0.000 0.555 21 L N 1.405 122.655 121.223 0.046 0.000 2.358 21 L HA 0.592 4.932 4.340 0.001 0.000 0.274 21 L C 1.131 177.997 176.870 -0.007 0.000 1.136 21 L CA -0.359 54.420 54.840 -0.101 0.000 0.970 21 L CB -0.264 41.482 42.059 -0.522 0.000 1.314 21 L HN 0.554 nan 8.230 nan 0.000 0.427 22 R N 3.394 123.896 120.500 0.003 0.000 2.582 22 R HA 0.546 4.886 4.340 0.001 0.000 0.271 22 R C -0.279 176.074 176.300 0.090 0.000 1.078 22 R CA -0.520 55.618 56.100 0.064 0.000 1.127 22 R CB 0.852 31.159 30.300 0.012 0.000 1.038 22 R HN 0.407 nan 8.270 nan 0.000 0.500 23 K N 0.849 121.373 120.400 0.206 0.000 2.544 23 K HA 0.366 4.686 4.320 0.001 0.000 0.282 23 K C -0.876 175.830 176.600 0.176 0.000 1.020 23 K CA -0.931 55.415 56.287 0.097 0.000 0.830 23 K CB 0.947 33.352 32.500 -0.159 0.000 1.521 23 K HN 0.354 nan 8.250 nan 0.000 0.376 24 R N 0.746 121.304 120.500 0.097 0.000 2.457 24 R HA 0.274 4.614 4.340 0.001 0.000 0.284 24 R C 1.311 177.725 176.300 0.190 0.000 1.024 24 R CA -0.320 55.847 56.100 0.113 0.000 1.025 24 R CB 1.049 31.368 30.300 0.031 0.000 1.063 24 R HN 0.306 nan 8.270 nan 0.000 0.493 25 V N 3.113 123.139 119.914 0.186 0.000 2.324 25 V HA -0.302 3.818 4.120 0.001 0.000 0.250 25 V C 2.100 178.204 176.094 0.015 0.000 1.060 25 V CA 1.916 64.290 62.300 0.124 0.000 1.042 25 V CB -0.330 31.603 31.823 0.183 0.000 0.650 25 V HN 0.703 nan 8.190 nan 0.000 0.450 26 K N -0.623 119.792 120.400 0.025 0.000 2.283 26 K HA -0.095 4.225 4.320 0.001 0.000 0.202 26 K C 1.957 178.528 176.600 -0.048 0.000 1.048 26 K CA 1.022 57.303 56.287 -0.010 0.000 0.948 26 K CB -0.197 32.302 32.500 -0.002 0.000 0.742 26 K HN 0.377 nan 8.250 nan 0.000 0.458 27 V N 0.573 120.447 119.914 -0.068 0.000 2.358 27 V HA -0.216 3.905 4.120 0.001 0.000 0.246 27 V C 1.840 177.830 176.094 -0.173 0.000 1.047 27 V CA 1.659 63.848 62.300 -0.184 0.000 1.035 27 V CB -0.474 31.192 31.823 -0.261 0.000 0.658 27 V HN 0.157 nan 8.190 nan 0.000 0.452 28 F N 0.172 120.062 119.950 -0.100 0.000 2.146 28 F HA -0.157 4.371 4.527 0.001 0.000 0.298 28 F C 2.612 178.246 175.800 -0.277 0.000 1.096 28 F CA 1.703 59.602 58.000 -0.168 0.000 1.275 28 F CB -0.488 38.223 39.000 -0.482 0.000 1.008 28 F HN 0.102 nan 8.300 nan 0.000 0.480 29 Q N -0.413 119.287 119.800 -0.167 0.000 2.119 29 Q HA -0.151 4.189 4.340 0.001 0.000 0.201 29 Q C 2.281 178.286 176.000 0.008 0.000 0.972 29 Q CA 1.994 57.740 55.803 -0.094 0.000 0.847 29 Q CB -0.054 28.643 28.738 -0.069 0.000 0.903 29 Q HN 0.441 nan 8.270 nan 0.000 0.433 30 S N -1.780 113.917 115.700 -0.004 0.000 2.499 30 S HA 0.143 4.614 4.470 0.001 0.000 0.225 30 S C 1.004 175.622 174.600 0.029 0.000 1.050 30 S CA -0.370 57.838 58.200 0.014 0.000 0.928 30 S CB 0.400 63.599 63.200 -0.003 0.000 0.803 30 S HN -0.054 nan 8.310 nan 0.000 0.506 31 S N 3.489 119.189 115.700 -0.001 0.000 3.024 31 S HA 0.229 4.699 4.470 0.001 0.000 0.316 31 S C -0.174 174.527 174.600 0.169 0.000 1.197 31 S CA -0.095 58.134 58.200 0.049 0.000 1.097 31 S CB -0.597 62.486 63.200 -0.194 0.000 1.471 31 S HN 0.516 nan 8.310 nan 0.000 0.543 32 T N 5.479 120.148 114.554 0.191 0.000 2.591 32 T HA -0.109 4.241 4.350 0.001 0.000 0.245 32 T C 0.875 175.757 174.700 0.303 0.000 1.031 32 T CA 0.556 62.783 62.100 0.211 0.000 1.187 32 T CB -0.340 68.630 68.868 0.170 0.000 1.014 32 T HN 0.762 nan 8.240 nan 0.000 0.488 33 N N 0.636 119.497 118.700 0.269 0.000 2.778 33 N HA -0.215 4.525 4.740 0.001 0.000 0.249 33 N C 0.356 175.997 175.510 0.218 0.000 1.069 33 N CA 1.089 54.309 53.050 0.285 0.000 0.831 33 N CB -1.629 37.109 38.487 0.420 0.000 1.142 33 N HN 0.686 nan 8.380 nan 0.000 0.573 34 Y N 0.701 120.961 120.300 -0.066 0.000 2.070 34 Y HA -0.033 4.517 4.550 0.001 0.000 0.280 34 Y C 2.294 178.150 175.900 -0.073 0.000 1.148 34 Y CA 2.308 60.185 58.100 -0.371 0.000 1.125 34 Y CB -0.877 37.259 38.460 -0.539 0.000 0.975 34 Y HN 0.256 nan 8.280 nan 0.000 0.492 35 A N -0.113 122.778 122.820 0.118 0.000 1.877 35 A HA -0.180 4.141 4.320 0.001 0.000 0.216 35 A C 2.035 179.650 177.584 0.051 0.000 1.186 35 A CA 1.858 54.023 52.037 0.212 0.000 0.620 35 A CB -0.731 18.485 19.000 0.360 0.000 0.822 35 A HN 0.492 nan 8.150 nan 0.000 0.443 36 E N 0.608 120.772 120.200 -0.060 0.000 2.058 36 E HA -0.174 4.177 4.350 0.001 0.000 0.194 36 E C 1.859 178.225 176.600 -0.391 0.000 0.997 36 E CA 1.697 57.894 56.400 -0.340 0.000 0.801 36 E CB -0.395 28.910 29.700 -0.657 0.000 0.746 36 E HN 0.746 nan 8.360 nan 0.000 0.450 37 N N -0.761 117.830 118.700 -0.182 0.000 2.142 37 N HA -0.138 4.603 4.740 0.001 0.000 0.186 37 N C 1.638 177.152 175.510 0.007 0.000 1.023 37 N CA 0.682 53.712 53.050 -0.034 0.000 0.852 37 N CB -0.186 38.394 38.487 0.155 0.000 0.998 37 N HN 0.066 nan 8.380 nan 0.000 0.424 38 F N 2.265 122.119 119.950 -0.161 0.000 2.084 38 F HA -0.034 4.493 4.527 0.001 0.000 0.296 38 F C 2.122 177.846 175.800 -0.127 0.000 1.111 38 F CA 0.935 58.850 58.000 -0.141 0.000 1.224 38 F CB -0.448 38.441 39.000 -0.184 0.000 0.991 38 F HN -0.107 nan 8.300 nan 0.000 0.471 39 I N 0.106 120.597 120.570 -0.131 0.000 2.118 39 I HA -0.373 3.797 4.170 0.001 0.000 0.241 39 I C 2.492 178.441 176.117 -0.280 0.000 1.070 39 I CA 1.895 63.060 61.300 -0.225 0.000 1.327 39 I CB -0.666 37.253 38.000 -0.136 0.000 1.034 39 I HN 0.200 nan 8.210 nan 0.000 0.405 40 Q N 0.878 120.536 119.800 -0.236 0.000 2.135 40 Q HA -0.197 4.143 4.340 0.001 0.000 0.204 40 Q C 2.137 178.029 176.000 -0.181 0.000 0.981 40 Q CA 2.403 58.094 55.803 -0.186 0.000 0.856 40 Q CB -0.272 28.373 28.738 -0.154 0.000 0.902 40 Q HN 0.413 nan 8.270 nan 0.000 0.425 41 S N -0.188 115.383 115.700 -0.215 0.000 2.402 41 S HA -0.011 4.460 4.470 0.001 0.000 0.229 41 S C 1.778 176.190 174.600 -0.313 0.000 1.021 41 S CA 1.086 59.162 58.200 -0.207 0.000 0.974 41 S CB -0.248 62.855 63.200 -0.162 0.000 0.800 41 S HN 0.425 nan 8.310 nan 0.000 0.484 42 I N 0.981 121.254 120.570 -0.496 0.000 2.142 42 I HA -0.171 3.999 4.170 0.001 0.000 0.240 42 I C 2.006 177.832 176.117 -0.486 0.000 1.078 42 I CA 1.341 62.267 61.300 -0.624 0.000 1.343 42 I CB -0.488 37.038 38.000 -0.790 0.000 1.046 42 I HN 0.230 nan 8.210 nan 0.000 0.405 43 I N 0.633 120.995 120.570 -0.347 0.000 2.286 43 I HA -0.239 3.932 4.170 0.001 0.000 0.248 43 I C 2.519 178.546 176.117 -0.150 0.000 1.115 43 I CA 1.200 62.366 61.300 -0.223 0.000 1.392 43 I CB -0.269 37.631 38.000 -0.167 0.000 1.065 43 I HN 0.085 nan 8.210 nan 0.000 0.418 44 S N -0.313 115.305 115.700 -0.138 0.000 2.469 44 S HA -0.176 4.295 4.470 0.001 0.000 0.238 44 S C 2.064 176.622 174.600 -0.071 0.000 0.998 44 S CA 1.668 59.818 58.200 -0.084 0.000 0.957 44 S CB -0.649 62.511 63.200 -0.067 0.000 0.764 44 S HN 0.691 nan 8.310 nan 0.000 0.514 45 T N -0.558 113.936 114.554 -0.100 0.000 3.085 45 T HA 0.102 4.452 4.350 0.001 0.000 0.263 45 T C 0.510 175.202 174.700 -0.014 0.000 1.127 45 T CA 0.064 62.134 62.100 -0.051 0.000 1.103 45 T CB -0.343 68.498 68.868 -0.045 0.000 0.921 45 T HN 0.073 nan 8.240 nan 0.000 0.510 46 V N 3.294 123.191 119.914 -0.027 0.000 2.385 46 V HA 0.262 4.383 4.120 0.001 0.000 0.269 46 V C 0.163 176.259 176.094 0.003 0.000 1.043 46 V CA -1.202 61.102 62.300 0.006 0.000 0.906 46 V CB 0.731 32.557 31.823 0.006 0.000 0.995 46 V HN 0.395 nan 8.190 nan 0.000 0.467 47 E N 6.407 126.615 120.200 0.015 0.000 2.820 47 E HA -0.070 4.281 4.350 0.001 0.000 0.251 47 E C -1.461 175.145 176.600 0.010 0.000 0.944 47 E CA -1.126 55.281 56.400 0.012 0.000 0.955 47 E CB 0.268 29.978 29.700 0.017 0.000 0.904 47 E HN 0.419 nan 8.360 nan 0.000 0.513 48 P HA -0.341 nan 4.420 nan 0.000 0.224 48 P C 1.193 178.500 177.300 0.012 0.000 1.153 48 P CA 2.848 65.951 63.100 0.005 0.000 0.947 48 P CB 0.141 31.843 31.700 0.003 0.000 0.790 49 A N -0.864 121.964 122.820 0.013 0.000 1.892 49 A HA -0.318 4.002 4.320 0.001 0.000 0.218 49 A C 2.219 179.818 177.584 0.023 0.000 1.188 49 A CA 2.079 54.127 52.037 0.017 0.000 0.631 49 A CB -1.485 17.524 19.000 0.015 0.000 0.822 49 A HN 0.279 nan 8.150 nan 0.000 0.447 50 Q N -0.893 118.922 119.800 0.024 0.000 2.364 50 Q HA -0.156 4.184 4.340 0.001 0.000 0.209 50 Q C 2.197 178.219 176.000 0.036 0.000 0.977 50 Q CA 1.051 56.873 55.803 0.031 0.000 0.885 50 Q CB -0.126 28.631 28.738 0.032 0.000 0.941 50 Q HN 0.662 nan 8.270 nan 0.000 0.464 51 R N 0.009 120.528 120.500 0.032 0.000 2.073 51 R HA -0.197 4.144 4.340 0.001 0.000 0.234 51 R C 2.233 178.567 176.300 0.056 0.000 1.134 51 R CA 1.394 57.516 56.100 0.037 0.000 0.952 51 R CB -0.192 30.121 30.300 0.022 0.000 0.850 51 R HN 0.123 nan 8.270 nan 0.000 0.433 52 Q N 1.060 120.894 119.800 0.056 0.000 2.050 52 Q HA -0.162 4.178 4.340 0.001 0.000 0.202 52 Q C 1.077 177.121 176.000 0.072 0.000 0.980 52 Q CA 1.641 57.487 55.803 0.072 0.000 0.840 52 Q CB 0.057 28.835 28.738 0.067 0.000 0.898 52 Q HN 0.072 nan 8.270 nan 0.000 0.424 53 E N -0.567 119.668 120.200 0.058 0.000 2.445 53 E HA 0.316 4.666 4.350 0.001 0.000 0.189 53 E C -1.075 175.557 176.600 0.053 0.000 1.069 53 E CA 0.211 56.642 56.400 0.053 0.000 0.871 53 E CB 0.134 29.860 29.700 0.043 0.000 0.991 53 E HN 0.364 nan 8.360 nan 0.000 0.481 54 A N -0.194 122.663 122.820 0.061 0.000 2.303 54 A HA 0.627 4.947 4.320 0.001 0.000 0.317 54 A C -0.105 177.524 177.584 0.075 0.000 1.149 54 A CA -0.488 51.587 52.037 0.063 0.000 0.822 54 A CB 0.911 19.949 19.000 0.063 0.000 1.131 54 A HN 0.078 nan 8.150 nan 0.000 0.493 55 T N 2.714 117.308 114.554 0.066 0.000 2.792 55 T HA 0.545 4.896 4.350 0.001 0.000 0.280 55 T C -0.501 174.243 174.700 0.073 0.000 0.990 55 T CA -0.140 62.000 62.100 0.067 0.000 0.960 55 T CB 0.580 69.476 68.868 0.046 0.000 0.939 55 T HN 0.452 nan 8.240 nan 0.000 0.439 56 L N 3.092 124.366 121.223 0.085 0.000 2.322 56 L HA 0.573 4.913 4.340 0.001 0.000 0.281 56 L C -0.327 176.586 176.870 0.072 0.000 1.014 56 L CA -1.202 53.692 54.840 0.089 0.000 0.815 56 L CB 1.827 43.944 42.059 0.097 0.000 1.247 56 L HN 0.361 nan 8.230 nan 0.000 0.421 57 V N 4.538 124.491 119.914 0.064 0.000 2.432 57 V HA 0.274 4.395 4.120 0.001 0.000 0.271 57 V C 0.067 176.191 176.094 0.049 0.000 1.046 57 V CA -0.391 61.937 62.300 0.047 0.000 0.945 57 V CB 1.606 33.448 31.823 0.032 0.000 0.992 57 V HN 0.402 nan 8.190 nan 0.000 0.471 58 V N 4.349 124.288 119.914 0.041 0.000 2.487 58 V HA 0.970 5.090 4.120 0.001 0.000 0.298 58 V C 0.421 176.530 176.094 0.024 0.000 1.028 58 V CA -0.006 62.315 62.300 0.036 0.000 0.860 58 V CB 1.625 33.469 31.823 0.035 0.000 0.991 58 V HN 1.052 nan 8.190 nan 0.000 0.427 59 G N 2.305 111.115 108.800 0.017 0.000 2.632 59 G HA2 0.728 4.688 3.960 0.001 0.000 0.292 59 G HA3 0.728 4.688 3.960 0.001 0.000 0.292 59 G C -0.731 174.170 174.900 0.001 0.000 1.465 59 G CA 0.126 45.233 45.100 0.012 0.000 0.824 59 G HN 1.061 nan 8.290 nan 0.000 0.509 60 G N -0.943 107.863 108.800 0.009 0.000 2.921 60 G HA2 0.572 4.532 3.960 0.001 0.000 0.291 60 G HA3 0.572 4.532 3.960 0.001 0.000 0.291 60 G C 0.026 174.943 174.900 0.028 0.000 1.370 60 G CA 0.378 45.482 45.100 0.006 0.000 0.847 60 G HN 0.697 nan 8.290 nan 0.000 0.532 61 D N -1.497 118.936 120.400 0.053 0.000 2.349 61 D HA 0.213 4.853 4.640 0.001 0.000 0.224 61 D C 1.525 177.868 176.300 0.071 0.000 1.029 61 D CA 0.882 54.944 54.000 0.103 0.000 0.879 61 D CB 0.019 40.937 40.800 0.195 0.000 0.906 61 D HN 1.589 nan 8.370 nan 0.000 0.528 62 G N 1.354 110.178 108.800 0.040 0.000 2.157 62 G HA2 -0.304 3.656 3.960 0.001 0.000 0.239 62 G HA3 -0.304 3.656 3.960 0.001 0.000 0.239 62 G C 0.304 175.159 174.900 -0.076 0.000 0.982 62 G CA 0.116 45.196 45.100 -0.033 0.000 0.650 62 G HN 0.739 nan 8.290 nan 0.000 0.527 63 R N -0.803 119.728 120.500 0.051 0.000 2.560 63 R HA 0.656 4.997 4.340 0.001 0.000 0.270 63 R C 0.517 176.958 176.300 0.235 0.000 1.074 63 R CA -0.730 55.464 56.100 0.157 0.000 1.140 63 R CB 0.678 31.246 30.300 0.447 0.000 1.073 63 R HN 0.357 nan 8.270 nan 0.000 0.527 64 F N 2.499 122.508 119.950 0.099 0.000 2.629 64 F HA -0.094 4.434 4.527 0.001 0.000 0.377 64 F C 0.401 176.256 175.800 0.092 0.000 1.101 64 F CA 1.296 59.341 58.000 0.074 0.000 1.301 64 F CB -0.004 39.040 39.000 0.074 0.000 1.062 64 F HN 0.797 nan 8.300 nan 0.000 0.583 65 Y N 3.100 122.899 120.300 -0.835 0.000 4.866 65 Y HA -0.417 4.134 4.550 0.001 0.000 0.282 65 Y C 1.447 177.002 175.900 -0.575 0.000 0.899 65 Y CA 1.259 58.832 58.100 -0.877 0.000 1.720 65 Y CB -1.972 35.809 38.460 -1.133 0.000 1.107 65 Y HN 0.699 nan 8.280 nan 0.000 0.460 66 M N 0.148 119.660 119.600 -0.147 0.000 2.065 66 M HA -0.254 4.226 4.480 0.001 0.000 0.259 66 M C 2.015 178.227 176.300 -0.146 0.000 1.069 66 M CA 2.634 57.966 55.300 0.053 0.000 1.110 66 M CB -0.144 32.529 32.600 0.120 0.000 1.328 66 M HN 0.155 nan 8.290 nan 0.000 0.405 67 K N 0.621 120.906 120.400 -0.193 0.000 2.044 67 K HA -0.203 4.117 4.320 0.001 0.000 0.210 67 K C 1.838 178.281 176.600 -0.263 0.000 1.049 67 K CA 1.967 58.143 56.287 -0.184 0.000 0.927 67 K CB -0.494 31.911 32.500 -0.158 0.000 0.713 67 K HN 0.506 nan 8.250 nan 0.000 0.443 68 E N -0.758 119.177 120.200 -0.443 0.000 2.106 68 E HA -0.128 4.222 4.350 0.001 0.000 0.192 68 E C 1.765 178.020 176.600 -0.575 0.000 0.984 68 E CA 0.867 56.945 56.400 -0.538 0.000 0.806 68 E CB -0.032 29.198 29.700 -0.784 0.000 0.750 68 E HN 0.334 nan 8.360 nan 0.000 0.458 69 A N 0.992 123.403 122.820 -0.682 0.000 1.902 69 A HA -0.167 4.154 4.320 0.001 0.000 0.217 69 A C 2.092 179.575 177.584 -0.168 0.000 1.181 69 A CA 1.161 52.972 52.037 -0.377 0.000 0.623 69 A CB -0.554 18.394 19.000 -0.088 0.000 0.818 69 A HN 0.266 nan 8.150 nan 0.000 0.443 70 I N -0.562 119.927 120.570 -0.135 0.000 2.179 70 I HA -0.277 3.893 4.170 0.001 0.000 0.242 70 I C 2.646 178.712 176.117 -0.085 0.000 1.088 70 I CA 1.189 62.444 61.300 -0.076 0.000 1.357 70 I CB -0.538 37.431 38.000 -0.052 0.000 1.051 70 I HN 0.298 nan 8.210 nan 0.000 0.409 71 Q N 0.815 120.546 119.800 -0.114 0.000 2.112 71 Q HA -0.198 4.143 4.340 0.001 0.000 0.206 71 Q C 2.379 178.319 176.000 -0.100 0.000 0.987 71 Q CA 1.697 57.441 55.803 -0.099 0.000 0.858 71 Q CB -0.681 27.990 28.738 -0.112 0.000 0.905 71 Q HN 0.559 nan 8.270 nan 0.000 0.420 72 L N -0.052 121.100 121.223 -0.119 0.000 2.017 72 L HA -0.176 4.164 4.340 0.001 0.000 0.208 72 L C 2.408 179.218 176.870 -0.100 0.000 1.073 72 L CA 0.911 55.689 54.840 -0.104 0.000 0.745 72 L CB -0.450 41.547 42.059 -0.103 0.000 0.894 72 L HN 0.187 nan 8.230 nan 0.000 0.432 73 I N -1.213 119.307 120.570 -0.083 0.000 2.286 73 I HA -0.273 3.897 4.170 0.001 0.000 0.248 73 I C 2.488 178.564 176.117 -0.068 0.000 1.115 73 I CA 0.947 62.204 61.300 -0.072 0.000 1.392 73 I CB -0.371 37.605 38.000 -0.040 0.000 1.065 73 I HN 0.037 nan 8.210 nan 0.000 0.418 74 V N 1.117 121.002 119.914 -0.048 0.000 2.237 74 V HA -0.285 3.835 4.120 0.001 0.000 0.245 74 V C 2.604 178.604 176.094 -0.157 0.000 1.046 74 V CA 2.010 64.299 62.300 -0.019 0.000 1.007 74 V CB -0.621 31.201 31.823 -0.002 0.000 0.638 74 V HN 0.379 nan 8.190 nan 0.000 0.445 75 R N -0.954 119.451 120.500 -0.157 0.000 2.148 75 R HA -0.079 4.261 4.340 0.001 0.000 0.227 75 R C 2.049 178.235 176.300 -0.190 0.000 1.103 75 R CA 1.242 57.229 56.100 -0.188 0.000 0.983 75 R CB -0.321 29.909 30.300 -0.116 0.000 0.874 75 R HN 0.404 nan 8.270 nan 0.000 0.451 76 I N 0.478 120.950 120.570 -0.163 0.000 2.235 76 I HA -0.143 4.028 4.170 0.001 0.000 0.241 76 I C 2.440 178.441 176.117 -0.193 0.000 1.085 76 I CA 1.265 62.477 61.300 -0.146 0.000 1.378 76 I CB -0.465 37.443 38.000 -0.153 0.000 1.076 76 I HN 0.076 nan 8.210 nan 0.000 0.415 77 A N 0.370 123.062 122.820 -0.214 0.000 1.948 77 A HA -0.216 4.105 4.320 0.001 0.000 0.220 77 A C 2.468 179.806 177.584 -0.410 0.000 1.177 77 A CA 2.137 54.037 52.037 -0.229 0.000 0.636 77 A CB -1.127 17.799 19.000 -0.124 0.000 0.815 77 A HN 0.432 nan 8.150 nan 0.000 0.449 78 A N -0.135 122.231 122.820 -0.757 0.000 1.841 78 A HA 0.188 4.508 4.320 0.001 0.000 0.214 78 A C 2.542 179.840 177.584 -0.477 0.000 1.195 78 A CA 2.136 53.500 52.037 -1.123 0.000 0.611 78 A CB -1.250 16.990 19.000 -1.266 0.000 0.835 78 A HN 1.189 nan 8.150 nan 0.000 0.443 79 A N -0.334 122.302 122.820 -0.307 0.000 2.024 79 A HA -0.183 4.137 4.320 0.001 0.000 0.220 79 A C 1.814 179.333 177.584 -0.109 0.000 1.164 79 A CA 1.586 53.531 52.037 -0.154 0.000 0.643 79 A CB -0.664 18.279 19.000 -0.096 0.000 0.806 79 A HN 0.622 nan 8.150 nan 0.000 0.451 80 N N -1.052 117.569 118.700 -0.131 0.000 2.398 80 N HA 0.098 4.838 4.740 0.001 0.000 0.188 80 N C 1.044 176.512 175.510 -0.070 0.000 1.122 80 N CA 0.818 53.816 53.050 -0.086 0.000 0.866 80 N CB 0.236 38.669 38.487 -0.090 0.000 0.970 80 N HN 0.620 nan 8.380 nan 0.000 0.462 81 G N 1.313 110.064 108.800 -0.083 0.000 2.141 81 G HA2 -0.261 3.699 3.960 0.001 0.000 0.242 81 G HA3 -0.261 3.699 3.960 0.001 0.000 0.242 81 G C 0.038 174.951 174.900 0.022 0.000 0.982 81 G CA -0.289 44.798 45.100 -0.021 0.000 0.662 81 G HN 0.240 nan 8.290 nan 0.000 0.527 82 I N 1.941 122.514 120.570 0.005 0.000 2.436 82 I HA 0.415 4.585 4.170 0.001 0.000 0.289 82 I C 1.985 178.243 176.117 0.235 0.000 1.083 82 I CA 0.837 62.190 61.300 0.088 0.000 1.372 82 I CB 1.010 39.055 38.000 0.075 0.000 1.408 82 I HN 0.108 nan 8.210 nan 0.000 0.516 83 G N 6.615 115.534 108.800 0.197 0.000 2.586 83 G HA2 -0.222 3.738 3.960 0.001 0.000 0.218 83 G HA3 -0.222 3.738 3.960 0.001 0.000 0.218 83 G C 0.881 175.916 174.900 0.224 0.000 1.216 83 G CA 0.525 45.755 45.100 0.216 0.000 0.786 83 G HN 0.553 nan 8.290 nan 0.000 0.583 84 R N -0.783 119.806 120.500 0.148 0.000 2.621 84 R HA 0.566 4.907 4.340 0.001 0.000 0.292 84 R C -1.411 174.942 176.300 0.088 0.000 0.969 84 R CA -0.688 55.445 56.100 0.055 0.000 0.887 84 R CB 1.114 31.416 30.300 0.003 0.000 1.180 84 R HN 0.137 nan 8.270 nan 0.000 0.450 85 L N 4.906 126.150 121.223 0.035 0.000 2.280 85 L HA 0.411 4.751 4.340 0.001 0.000 0.287 85 L C -0.525 176.355 176.870 0.017 0.000 1.023 85 L CA -1.085 53.800 54.840 0.076 0.000 0.819 85 L CB 1.933 44.088 42.059 0.160 0.000 1.212 85 L HN 0.383 nan 8.230 nan 0.000 0.420 86 V N 5.627 125.557 119.914 0.026 0.000 2.339 86 V HA 0.278 4.399 4.120 0.001 0.000 0.261 86 V C 0.430 176.538 176.094 0.023 0.000 1.058 86 V CA -0.048 62.261 62.300 0.015 0.000 0.897 86 V CB 0.788 32.622 31.823 0.018 0.000 1.052 86 V HN 0.494 nan 8.190 nan 0.000 0.480 87 I N 4.133 124.714 120.570 0.019 0.000 2.353 87 I HA 0.457 4.628 4.170 0.001 0.000 0.293 87 I C 1.223 177.351 176.117 0.017 0.000 0.992 87 I CA -0.289 61.024 61.300 0.021 0.000 1.268 87 I CB 1.384 39.397 38.000 0.021 0.000 1.387 87 I HN 0.627 nan 8.210 nan 0.000 0.478 88 G N 4.301 113.113 108.800 0.020 0.000 2.491 88 G HA2 0.021 3.982 3.960 0.001 0.000 0.238 88 G HA3 0.021 3.982 3.960 0.001 0.000 0.238 88 G C -0.173 174.733 174.900 0.010 0.000 1.277 88 G CA -0.325 44.787 45.100 0.020 0.000 0.851 88 G HN 0.716 nan 8.290 nan 0.000 0.573 89 Q N 0.577 120.377 119.800 0.001 0.000 2.247 89 Q HA -0.045 4.295 4.340 0.001 0.000 0.288 89 Q C 0.612 176.611 176.000 -0.003 0.000 1.079 89 Q CA 0.763 56.563 55.803 -0.004 0.000 0.932 89 Q CB -0.193 28.537 28.738 -0.013 0.000 1.133 89 Q HN 0.766 nan 8.270 nan 0.000 0.377 90 N N 2.573 121.271 118.700 -0.003 0.000 2.782 90 N HA -0.278 4.462 4.740 0.001 0.000 0.251 90 N C 0.488 175.995 175.510 -0.005 0.000 1.101 90 N CA 0.448 53.495 53.050 -0.005 0.000 0.764 90 N CB -1.066 37.417 38.487 -0.006 0.000 1.122 90 N HN 0.996 nan 8.380 nan 0.000 0.561 91 G N -1.033 107.767 108.800 0.000 0.000 2.284 91 G HA2 -0.327 3.634 3.960 0.001 0.000 0.247 91 G HA3 -0.327 3.634 3.960 0.001 0.000 0.247 91 G C 0.240 175.149 174.900 0.016 0.000 1.012 91 G CA 0.321 45.424 45.100 0.004 0.000 0.618 91 G HN 0.359 nan 8.290 nan 0.000 0.521 92 I N 0.939 121.522 120.570 0.021 0.000 2.618 92 I HA 0.504 4.674 4.170 0.001 0.000 0.284 92 I C 0.207 176.363 176.117 0.065 0.000 1.146 92 I CA 0.311 61.638 61.300 0.045 0.000 1.425 92 I CB 0.983 39.012 38.000 0.048 0.000 1.383 92 I HN 0.237 nan 8.210 nan 0.000 0.562 93 L N 6.159 127.431 121.223 0.082 0.000 2.949 93 L HA 0.106 4.446 4.340 0.001 0.000 0.258 93 L C 0.180 177.055 176.870 0.010 0.000 0.941 93 L CA -0.117 54.777 54.840 0.089 0.000 1.053 93 L CB 1.357 43.443 42.059 0.044 0.000 1.550 93 L HN 0.752 nan 8.230 nan 0.000 0.493 94 S N 1.475 117.124 115.700 -0.085 0.000 2.580 94 S HA 0.187 4.657 4.470 0.001 0.000 0.266 94 S C 1.113 175.577 174.600 -0.226 0.000 1.354 94 S CA 0.499 58.536 58.200 -0.271 0.000 1.008 94 S CB 0.898 63.680 63.200 -0.696 0.000 0.898 94 S HN 0.679 nan 8.310 nan 0.000 0.555 95 T N 2.988 117.421 114.554 -0.202 0.000 2.720 95 T HA -0.013 4.337 4.350 0.001 0.000 0.268 95 T C -0.756 173.821 174.700 -0.204 0.000 1.037 95 T CA 1.719 63.715 62.100 -0.172 0.000 1.144 95 T CB -1.188 67.588 68.868 -0.152 0.000 0.864 95 T HN 0.710 nan 8.240 nan 0.000 0.444 96 P HA 0.080 nan 4.420 nan 0.000 0.219 96 P C 1.340 178.549 177.300 -0.152 0.000 1.150 96 P CA 1.068 64.052 63.100 -0.193 0.000 0.814 96 P CB -0.126 31.494 31.700 -0.133 0.000 0.787 97 A N 0.083 122.716 122.820 -0.313 0.000 1.969 97 A HA -0.084 4.236 4.320 0.001 0.000 0.218 97 A C 2.407 179.978 177.584 -0.021 0.000 1.169 97 A CA 1.570 53.536 52.037 -0.118 0.000 0.635 97 A CB -1.588 17.385 19.000 -0.046 0.000 0.810 97 A HN 0.067 nan 8.150 nan 0.000 0.445 98 V N -0.834 119.040 119.914 -0.066 0.000 2.453 98 V HA -0.156 3.965 4.120 0.001 0.000 0.247 98 V C 2.728 178.792 176.094 -0.050 0.000 1.048 98 V CA 2.093 64.369 62.300 -0.041 0.000 1.049 98 V CB -0.559 31.233 31.823 -0.052 0.000 0.672 98 V HN 0.615 nan 8.190 nan 0.000 0.457 99 S N -1.139 114.510 115.700 -0.084 0.000 2.368 99 S HA -0.252 4.219 4.470 0.001 0.000 0.224 99 S C 2.155 176.731 174.600 -0.040 0.000 1.029 99 S CA 1.817 59.960 58.200 -0.096 0.000 0.988 99 S CB -0.595 62.500 63.200 -0.175 0.000 0.838 99 S HN 0.716 nan 8.310 nan 0.000 0.462 100 C N 1.233 120.544 119.300 0.019 0.000 2.413 100 C HA -0.042 4.419 4.460 0.001 0.000 0.276 100 C C 2.416 177.441 174.990 0.058 0.000 1.236 100 C CA 0.955 60.019 59.018 0.077 0.000 1.735 100 C CB -1.575 26.286 27.740 0.201 0.000 2.031 100 C HN 0.684 nan 8.230 nan 0.000 0.474 101 I N 0.504 121.109 120.570 0.058 0.000 2.202 101 I HA -0.169 4.001 4.170 0.001 0.000 0.242 101 I C 2.416 178.547 176.117 0.023 0.000 1.091 101 I CA 1.884 63.211 61.300 0.045 0.000 1.368 101 I CB -0.495 37.533 38.000 0.046 0.000 1.058 101 I HN 0.346 nan 8.210 nan 0.000 0.410 102 I N 0.618 121.192 120.570 0.007 0.000 2.145 102 I HA -0.359 3.811 4.170 0.001 0.000 0.244 102 I C 2.766 178.882 176.117 -0.001 0.000 1.075 102 I CA 1.686 62.984 61.300 -0.003 0.000 1.332 102 I CB -0.470 37.512 38.000 -0.030 0.000 1.033 102 I HN 0.176 nan 8.210 nan 0.000 0.410 103 R N 0.584 121.082 120.500 -0.003 0.000 2.073 103 R HA -0.207 4.134 4.340 0.001 0.000 0.234 103 R C 2.344 178.651 176.300 0.011 0.000 1.134 103 R CA 1.664 57.765 56.100 0.001 0.000 0.952 103 R CB -0.405 29.895 30.300 -0.001 0.000 0.850 103 R HN 0.299 nan 8.270 nan 0.000 0.433 104 K N 1.637 122.046 120.400 0.016 0.000 1.991 104 K HA -0.144 4.177 4.320 0.001 0.000 0.212 104 K C 1.772 178.382 176.600 0.016 0.000 1.049 104 K CA 1.831 58.129 56.287 0.018 0.000 0.932 104 K CB -0.174 32.342 32.500 0.025 0.000 0.717 104 K HN 0.343 nan 8.250 nan 0.000 0.441 105 I N -2.113 118.467 120.570 0.017 0.000 3.812 105 I HA 0.217 4.387 4.170 0.001 0.000 0.319 105 I C -0.752 175.375 176.117 0.016 0.000 1.353 105 I CA -0.349 60.961 61.300 0.016 0.000 1.170 105 I CB -0.067 37.944 38.000 0.018 0.000 1.057 105 I HN 0.054 nan 8.210 nan 0.000 0.411 106 K N 1.548 121.957 120.400 0.015 0.000 3.156 106 K HA -0.174 4.147 4.320 0.001 0.000 0.266 106 K C 0.286 176.897 176.600 0.018 0.000 0.966 106 K CA 0.821 57.117 56.287 0.015 0.000 0.719 106 K CB -1.768 30.741 32.500 0.015 0.000 1.333 106 K HN 0.727 nan 8.250 nan 0.000 0.468 107 A N 0.156 122.987 122.820 0.019 0.000 2.407 107 A HA 0.270 4.591 4.320 0.001 0.000 0.248 107 A C 1.577 179.179 177.584 0.029 0.000 1.082 107 A CA -0.024 52.030 52.037 0.027 0.000 0.785 107 A CB 0.256 19.274 19.000 0.029 0.000 1.020 107 A HN 0.452 nan 8.150 nan 0.000 0.489 108 I N 0.529 121.127 120.570 0.047 0.000 2.361 108 I HA 0.025 4.196 4.170 0.001 0.000 0.251 108 I C 1.182 177.333 176.117 0.058 0.000 1.133 108 I CA 1.825 63.159 61.300 0.057 0.000 1.413 108 I CB 0.081 38.127 38.000 0.076 0.000 1.073 108 I HN 0.846 nan 8.210 nan 0.000 0.424 109 G N -1.335 107.508 108.800 0.072 0.000 2.342 109 G HA2 0.469 4.430 3.960 0.001 0.000 0.297 109 G HA3 0.469 4.430 3.960 0.001 0.000 0.297 109 G C -1.275 173.683 174.900 0.096 0.000 1.313 109 G CA -0.034 45.090 45.100 0.039 0.000 0.830 109 G HN 0.237 nan 8.290 nan 0.000 0.506 110 G N -0.964 107.873 108.800 0.062 0.000 2.638 110 G HA2 0.609 4.570 3.960 0.001 0.000 0.302 110 G HA3 0.609 4.570 3.960 0.001 0.000 0.302 110 G C -1.064 173.960 174.900 0.206 0.000 1.365 110 G CA -0.647 44.519 45.100 0.110 0.000 0.987 110 G HN 0.650 nan 8.290 nan 0.000 0.495 111 I N 2.454 123.124 120.570 0.168 0.000 2.306 111 I HA 0.273 4.443 4.170 0.001 0.000 0.288 111 I C -0.211 175.943 176.117 0.062 0.000 1.036 111 I CA -0.432 60.956 61.300 0.148 0.000 1.221 111 I CB 1.165 39.214 38.000 0.080 0.000 1.385 111 I HN 0.222 nan 8.210 nan 0.000 0.472 112 I N 6.922 127.515 120.570 0.038 0.000 2.291 112 I HA 0.143 4.314 4.170 0.001 0.000 0.292 112 I C -0.223 175.860 176.117 -0.057 0.000 1.064 112 I CA -0.668 60.623 61.300 -0.014 0.000 1.269 112 I CB 0.553 38.532 38.000 -0.036 0.000 1.418 112 I HN 0.290 nan 8.210 nan 0.000 0.485 113 L N 6.080 127.260 121.223 -0.072 0.000 2.462 113 L HA 0.275 4.615 4.340 0.001 0.000 0.283 113 L C 0.421 177.150 176.870 -0.234 0.000 1.166 113 L CA 0.735 55.465 54.840 -0.184 0.000 0.964 113 L CB -0.676 41.349 42.059 -0.058 0.000 1.294 113 L HN 0.627 nan 8.230 nan 0.000 0.449 114 T N 1.273 115.648 114.554 -0.298 0.000 2.894 114 T HA 0.703 5.053 4.350 0.001 0.000 0.309 114 T C -0.191 174.366 174.700 -0.239 0.000 1.208 114 T CA -0.132 61.843 62.100 -0.208 0.000 1.016 114 T CB 1.769 70.587 68.868 -0.084 0.000 1.192 114 T HN 0.459 nan 8.240 nan 0.000 0.491 115 A N 2.807 125.538 122.820 -0.149 0.000 2.793 115 A HA 0.667 4.987 4.320 0.001 0.000 0.301 115 A C 1.190 178.716 177.584 -0.097 0.000 1.172 115 A CA 0.653 52.617 52.037 -0.121 0.000 0.973 115 A CB -0.797 18.158 19.000 -0.076 0.000 1.164 115 A HN 1.321 nan 8.150 nan 0.000 0.542 116 S N 0.302 115.959 115.700 -0.070 0.000 4.034 116 S HA -0.420 4.050 4.470 0.001 0.000 0.539 116 S C 1.830 176.386 174.600 -0.074 0.000 1.535 116 S CA 2.050 60.222 58.200 -0.047 0.000 3.789 116 S CB -1.210 61.983 63.200 -0.011 0.000 1.787 116 S HN 1.139 nan 8.310 nan 0.000 0.629 117 H N 1.933 120.919 119.070 -0.140 0.000 2.489 117 H HA -0.013 4.543 4.556 0.001 0.000 0.295 117 H C 0.561 175.705 175.328 -0.307 0.000 1.082 117 H CA 1.226 57.141 56.048 -0.222 0.000 1.295 117 H CB -0.728 28.929 29.762 -0.175 0.000 1.380 117 H HN 0.526 nan 8.280 nan 0.000 0.548 118 N N 3.809 122.227 118.700 -0.469 0.000 2.365 118 N HA 0.022 4.763 4.740 0.001 0.000 0.265 118 N C -2.485 172.768 175.510 -0.429 0.000 1.288 118 N CA -0.578 52.145 53.050 -0.546 0.000 0.869 118 N CB 0.433 38.730 38.487 -0.317 0.000 1.071 118 N HN 0.349 nan 8.380 nan 0.000 0.480 119 P HA -0.056 nan 4.420 nan 0.000 0.269 119 P C 0.241 177.495 177.300 -0.075 0.000 1.185 119 P CA 0.357 63.271 63.100 -0.310 0.000 0.769 119 P CB 0.503 32.018 31.700 -0.307 0.000 0.809 120 G N -0.365 108.522 108.800 0.146 0.000 2.630 120 G HA2 0.743 4.703 3.960 0.001 0.000 0.296 120 G HA3 0.743 4.703 3.960 0.001 0.000 0.296 120 G C -0.504 174.562 174.900 0.277 0.000 1.285 120 G CA -0.412 44.912 45.100 0.373 0.000 0.958 120 G HN 0.816 nan 8.290 nan 0.000 0.479 121 G N -0.640 108.304 108.800 0.239 0.000 2.353 121 G HA2 0.166 4.126 3.960 0.001 0.000 0.615 121 G HA3 0.166 4.126 3.960 0.001 0.000 0.615 121 G C -2.210 172.591 174.900 -0.166 0.000 1.280 121 G CA 0.083 45.184 45.100 0.001 0.000 1.000 121 G HN 0.551 nan 8.290 nan 0.000 0.516 122 P HA -0.059 nan 4.420 nan 0.000 0.216 122 P C 1.282 178.527 177.300 -0.092 0.000 1.150 122 P CA 1.632 64.473 63.100 -0.432 0.000 0.843 122 P CB 0.038 31.458 31.700 -0.467 0.000 0.787 123 N N -1.294 117.366 118.700 -0.065 0.000 2.280 123 N HA 0.071 4.812 4.740 0.001 0.000 0.192 123 N C 1.190 176.710 175.510 0.016 0.000 1.109 123 N CA 0.260 53.302 53.050 -0.014 0.000 0.855 123 N CB 0.335 38.809 38.487 -0.023 0.000 0.974 123 N HN 0.144 nan 8.380 nan 0.000 0.482 124 G N 0.363 109.189 108.800 0.044 0.000 2.508 124 G HA2 0.127 4.087 3.960 0.001 0.000 0.278 124 G HA3 0.127 4.087 3.960 0.001 0.000 0.278 124 G C -0.223 174.735 174.900 0.095 0.000 1.389 124 G CA -0.221 44.911 45.100 0.054 0.000 1.050 124 G HN -0.036 nan 8.290 nan 0.000 0.522 125 D N -1.201 119.249 120.400 0.084 0.000 2.332 125 D HA 0.568 5.208 4.640 0.001 0.000 0.252 125 D C -1.295 175.165 176.300 0.267 0.000 1.050 125 D CA 0.154 54.231 54.000 0.128 0.000 0.970 125 D CB 2.065 42.871 40.800 0.009 0.000 1.141 125 D HN 0.057 nan 8.370 nan 0.000 0.485 126 F N -0.292 119.732 119.950 0.123 0.000 2.581 126 F HA 0.531 5.058 4.527 0.001 0.000 0.311 126 F C -0.343 175.512 175.800 0.092 0.000 1.113 126 F CA -0.460 57.579 58.000 0.066 0.000 0.935 126 F CB 2.056 41.008 39.000 -0.079 0.000 1.232 126 F HN 0.280 nan 8.300 nan 0.000 0.445 127 G N 4.995 113.415 108.800 -0.633 0.000 2.563 127 G HA2 0.678 4.638 3.960 0.001 0.000 0.302 127 G HA3 0.678 4.638 3.960 0.001 0.000 0.302 127 G C -1.856 172.739 174.900 -0.509 0.000 1.301 127 G CA -0.748 44.144 45.100 -0.348 0.000 0.965 127 G HN 0.625 nan 8.290 nan 0.000 0.480 128 I N 1.397 121.886 120.570 -0.136 0.000 2.466 128 I HA 0.303 4.473 4.170 0.001 0.000 0.279 128 I C -0.077 176.130 176.117 0.151 0.000 1.033 128 I CA -0.567 60.734 61.300 0.003 0.000 1.123 128 I CB 1.812 39.971 38.000 0.264 0.000 1.237 128 I HN 0.282 nan 8.210 nan 0.000 0.460 129 K N 5.684 126.126 120.400 0.071 0.000 2.110 129 K HA 0.481 4.802 4.320 0.001 0.000 0.263 129 K C -1.516 175.203 176.600 0.198 0.000 0.975 129 K CA -0.460 55.896 56.287 0.114 0.000 0.895 129 K CB 1.655 34.171 32.500 0.027 0.000 1.060 129 K HN 0.340 nan 8.250 nan 0.000 0.448 130 F N 3.766 123.726 119.950 0.017 0.000 2.499 130 F HA 0.408 4.935 4.527 0.001 0.000 0.333 130 F C -1.179 174.614 175.800 -0.012 0.000 1.138 130 F CA -1.077 56.917 58.000 -0.010 0.000 0.945 130 F CB 0.884 39.867 39.000 -0.028 0.000 1.181 130 F HN 0.508 nan 8.300 nan 0.000 0.435 131 N N 5.752 124.210 118.700 -0.404 0.000 2.487 131 N HA 0.601 5.342 4.740 0.001 0.000 0.292 131 N C -0.400 174.633 175.510 -0.795 0.000 1.108 131 N CA -0.477 52.290 53.050 -0.471 0.000 0.956 131 N CB 1.527 39.871 38.487 -0.239 0.000 1.176 131 N HN 0.591 nan 8.380 nan 0.000 0.484 132 I N -1.884 118.339 120.570 -0.578 0.000 3.204 132 I HA 0.424 4.594 4.170 0.001 0.000 0.313 132 I C 1.570 177.567 176.117 -0.199 0.000 1.082 132 I CA -0.837 60.194 61.300 -0.448 0.000 1.033 132 I CB 1.089 38.906 38.000 -0.306 0.000 1.304 132 I HN 0.535 nan 8.210 nan 0.000 0.536 133 S N 1.554 117.192 115.700 -0.103 0.000 2.444 133 S HA -0.287 4.184 4.470 0.001 0.000 0.244 133 S C 1.299 175.875 174.600 -0.039 0.000 1.025 133 S CA 1.903 60.076 58.200 -0.046 0.000 0.995 133 S CB -1.100 62.092 63.200 -0.013 0.000 0.781 133 S HN 0.950 nan 8.310 nan 0.000 0.496 134 N N 0.705 119.377 118.700 -0.046 0.000 2.322 134 N HA 0.208 4.948 4.740 0.001 0.000 0.194 134 N C 1.327 176.816 175.510 -0.035 0.000 1.126 134 N CA 0.791 53.827 53.050 -0.023 0.000 0.845 134 N CB -0.411 38.073 38.487 -0.004 0.000 0.976 134 N HN 0.692 nan 8.380 nan 0.000 0.475 135 G N -1.148 107.612 108.800 -0.067 0.000 2.234 135 G HA2 -0.226 3.735 3.960 0.001 0.000 0.260 135 G HA3 -0.226 3.735 3.960 0.001 0.000 0.260 135 G C 0.413 175.239 174.900 -0.123 0.000 0.987 135 G CA 0.201 45.247 45.100 -0.089 0.000 0.625 135 G HN 0.798 nan 8.290 nan 0.000 0.532 136 G N 0.623 109.370 108.800 -0.090 0.000 2.562 136 G HA2 0.659 4.620 3.960 0.001 0.000 0.275 136 G HA3 0.659 4.620 3.960 0.001 0.000 0.275 136 G C -2.010 172.826 174.900 -0.107 0.000 1.196 136 G CA -0.525 44.535 45.100 -0.067 0.000 0.908 136 G HN 0.289 nan 8.290 nan 0.000 0.524 137 P HA 0.268 nan 4.420 nan 0.000 0.275 137 P C -0.005 177.237 177.300 -0.095 0.000 1.227 137 P CA -0.061 62.989 63.100 -0.084 0.000 0.781 137 P CB 0.998 32.687 31.700 -0.018 0.000 0.906 138 A N 5.988 128.720 122.820 -0.147 0.000 2.567 138 A HA 0.214 4.534 4.320 0.001 0.000 0.240 138 A C -1.466 176.105 177.584 -0.021 0.000 1.053 138 A CA -0.650 51.324 52.037 -0.104 0.000 0.755 138 A CB -1.311 17.687 19.000 -0.003 0.000 0.978 138 A HN 0.472 nan 8.150 nan 0.000 0.507 139 P HA 0.047 nan 4.420 nan 0.000 0.274 139 P C 0.705 178.012 177.300 0.012 0.000 1.260 139 P CA -0.344 62.745 63.100 -0.018 0.000 0.793 139 P CB 0.692 32.379 31.700 -0.021 0.000 1.048 140 E N 0.751 120.953 120.200 0.003 0.000 2.070 140 E HA -0.233 4.117 4.350 0.001 0.000 0.197 140 E C 1.922 178.554 176.600 0.053 0.000 1.004 140 E CA 2.066 58.483 56.400 0.028 0.000 0.805 140 E CB -0.650 29.061 29.700 0.018 0.000 0.744 140 E HN 0.515 nan 8.360 nan 0.000 0.451 141 A N 1.062 123.909 122.820 0.045 0.000 1.940 141 A HA -0.190 4.131 4.320 0.001 0.000 0.219 141 A C 2.162 179.790 177.584 0.072 0.000 1.176 141 A CA 1.297 53.367 52.037 0.055 0.000 0.631 141 A CB -0.385 18.640 19.000 0.042 0.000 0.814 141 A HN 0.237 nan 8.150 nan 0.000 0.446 142 I N 0.331 120.949 120.570 0.079 0.000 2.277 142 I HA -0.143 4.027 4.170 0.001 0.000 0.243 142 I C 2.703 178.900 176.117 0.134 0.000 1.094 142 I CA 2.087 63.455 61.300 0.112 0.000 1.393 142 I CB -1.834 36.248 38.000 0.137 0.000 1.078 142 I HN 0.488 nan 8.210 nan 0.000 0.417 143 T N -1.098 113.536 114.554 0.135 0.000 2.881 143 T HA -0.202 4.149 4.350 0.001 0.000 0.270 143 T C 1.666 176.470 174.700 0.173 0.000 1.068 143 T CA 1.309 63.502 62.100 0.154 0.000 1.131 143 T CB -0.333 68.612 68.868 0.127 0.000 0.871 143 T HN 0.235 nan 8.240 nan 0.000 0.479 144 D N 1.554 122.045 120.400 0.153 0.000 2.078 144 D HA -0.122 4.519 4.640 0.001 0.000 0.193 144 D C 2.170 178.581 176.300 0.185 0.000 0.990 144 D CA 1.196 55.305 54.000 0.181 0.000 0.827 144 D CB -0.266 40.609 40.800 0.125 0.000 0.975 144 D HN 0.318 nan 8.370 nan 0.000 0.451 145 K N 0.188 120.662 120.400 0.124 0.000 2.020 145 K HA -0.166 4.154 4.320 0.001 0.000 0.212 145 K C 2.465 179.120 176.600 0.092 0.000 1.050 145 K CA 1.239 57.578 56.287 0.087 0.000 0.929 145 K CB -0.346 32.194 32.500 0.067 0.000 0.714 145 K HN 0.256 nan 8.250 nan 0.000 0.443 146 I N 0.286 120.916 120.570 0.101 0.000 2.248 146 I HA -0.294 3.877 4.170 0.001 0.000 0.248 146 I C 2.322 178.571 176.117 0.221 0.000 1.107 146 I CA 1.017 62.360 61.300 0.073 0.000 1.373 146 I CB -0.342 37.675 38.000 0.028 0.000 1.055 146 I HN 0.147 nan 8.210 nan 0.000 0.418 147 F N 1.967 121.977 119.950 0.099 0.000 2.128 147 F HA -0.153 4.375 4.527 0.001 0.000 0.295 147 F C 2.623 178.476 175.800 0.088 0.000 1.100 147 F CA 1.390 59.462 58.000 0.120 0.000 1.260 147 F CB -0.576 38.489 39.000 0.109 0.000 1.009 147 F HN 0.021 nan 8.300 nan 0.000 0.476 148 Q N 0.796 120.592 119.800 -0.007 0.000 2.030 148 Q HA -0.201 4.140 4.340 0.001 0.000 0.204 148 Q C 2.475 178.423 176.000 -0.087 0.000 0.986 148 Q CA 2.321 58.043 55.803 -0.134 0.000 0.843 148 Q CB -1.075 27.641 28.738 -0.037 0.000 0.904 148 Q HN 0.508 nan 8.270 nan 0.000 0.420 149 I N 1.180 121.742 120.570 -0.012 0.000 2.286 149 I HA -0.244 3.927 4.170 0.001 0.000 0.248 149 I C 2.497 178.629 176.117 0.024 0.000 1.115 149 I CA 1.375 62.674 61.300 -0.002 0.000 1.392 149 I CB -0.557 37.440 38.000 -0.005 0.000 1.065 149 I HN 0.175 nan 8.210 nan 0.000 0.418 150 S N 1.900 117.643 115.700 0.073 0.000 2.423 150 S HA -0.195 4.276 4.470 0.001 0.000 0.231 150 S C 1.826 176.504 174.600 0.131 0.000 1.014 150 S CA 1.113 59.402 58.200 0.149 0.000 0.965 150 S CB -0.438 62.950 63.200 0.313 0.000 0.785 150 S HN 0.644 nan 8.310 nan 0.000 0.495 151 K N 1.004 121.408 120.400 0.007 0.000 2.374 151 K HA 0.114 4.434 4.320 0.001 0.000 0.196 151 K C 0.556 177.136 176.600 -0.034 0.000 1.023 151 K CA 0.628 56.897 56.287 -0.031 0.000 1.103 151 K CB 0.007 32.379 32.500 -0.215 0.000 0.848 151 K HN 0.426 nan 8.250 nan 0.000 0.528 152 T N -0.979 113.562 114.554 -0.022 0.000 3.483 152 T HA 0.368 4.718 4.350 0.001 0.000 0.258 152 T C -0.411 174.298 174.700 0.014 0.000 1.013 152 T CA -0.651 61.441 62.100 -0.014 0.000 1.078 152 T CB -0.299 68.550 68.868 -0.032 0.000 1.111 152 T HN 0.242 nan 8.240 nan 0.000 0.538 153 I N 2.469 123.066 120.570 0.044 0.000 2.354 153 I HA 0.372 4.543 4.170 0.001 0.000 0.286 153 I C 0.855 177.018 176.117 0.076 0.000 1.007 153 I CA -0.730 60.611 61.300 0.068 0.000 1.167 153 I CB 1.224 39.285 38.000 0.102 0.000 1.320 153 I HN 0.291 nan 8.210 nan 0.000 0.458 154 E N 5.631 125.863 120.200 0.054 0.000 2.389 154 E HA 0.213 4.563 4.350 0.001 0.000 0.199 154 E C -0.325 176.293 176.600 0.029 0.000 0.978 154 E CA 0.187 56.609 56.400 0.038 0.000 0.912 154 E CB 0.701 30.410 29.700 0.015 0.000 0.907 154 E HN 0.622 nan 8.360 nan 0.000 0.494 155 E N -0.179 120.046 120.200 0.041 0.000 2.408 155 E HA 0.474 4.824 4.350 0.001 0.000 0.275 155 E C -1.618 175.035 176.600 0.087 0.000 0.935 155 E CA -1.062 55.340 56.400 0.004 0.000 0.775 155 E CB 2.078 31.765 29.700 -0.021 0.000 1.277 155 E HN 0.095 nan 8.360 nan 0.000 0.455 156 Y N -1.134 119.168 120.300 0.004 0.000 2.441 156 Y HA 0.739 5.290 4.550 0.001 0.000 0.334 156 Y C -1.244 174.645 175.900 -0.018 0.000 1.061 156 Y CA -1.432 56.663 58.100 -0.007 0.000 1.032 156 Y CB 0.656 39.117 38.460 0.001 0.000 1.266 156 Y HN 0.521 nan 8.280 nan 0.000 0.441 157 A N 5.300 128.225 122.820 0.175 0.000 2.366 157 A HA 0.709 5.029 4.320 0.001 0.000 0.272 157 A C -0.770 176.897 177.584 0.137 0.000 1.135 157 A CA -0.533 51.559 52.037 0.091 0.000 0.804 157 A CB 0.240 19.254 19.000 0.023 0.000 1.064 157 A HN 0.955 nan 8.150 nan 0.000 0.499 158 I N 1.359 121.989 120.570 0.099 0.000 2.769 158 I HA 0.347 4.517 4.170 0.001 0.000 0.298 158 I C -1.063 175.052 176.117 -0.003 0.000 1.128 158 I CA -0.724 60.620 61.300 0.072 0.000 1.031 158 I CB 2.046 40.166 38.000 0.199 0.000 1.235 158 I HN 0.570 nan 8.210 nan 0.000 0.423 159 C N 8.538 127.805 119.300 -0.055 0.000 2.116 159 C HA 0.251 4.712 4.460 0.001 0.000 0.367 159 C C -0.844 174.119 174.990 -0.045 0.000 1.039 159 C CA -1.069 57.910 59.018 -0.066 0.000 1.465 159 C CB -0.668 26.998 27.740 -0.124 0.000 1.783 159 C HN 0.589 nan 8.230 nan 0.000 0.470 160 P HA -0.201 nan 4.420 nan 0.000 0.216 160 P C 0.644 177.937 177.300 -0.012 0.000 1.157 160 P CA 1.974 65.072 63.100 -0.004 0.000 0.880 160 P CB 0.333 32.037 31.700 0.008 0.000 0.791 161 D N 0.010 120.406 120.400 -0.008 0.000 2.183 161 D HA -0.040 4.601 4.640 0.001 0.000 0.203 161 D C 1.205 177.502 176.300 -0.004 0.000 0.969 161 D CA 0.102 54.103 54.000 0.002 0.000 0.842 161 D CB -0.829 39.981 40.800 0.018 0.000 0.957 161 D HN 0.145 nan 8.370 nan 0.000 0.484 162 L N 1.617 122.818 121.223 -0.036 0.000 2.700 162 L HA -0.008 4.333 4.340 0.001 0.000 0.272 162 L C -0.388 176.418 176.870 -0.106 0.000 1.176 162 L CA 0.184 54.968 54.840 -0.095 0.000 0.961 162 L CB -0.127 41.805 42.059 -0.212 0.000 1.249 162 L HN 0.015 nan 8.230 nan 0.000 0.487 163 K N 4.206 124.585 120.400 -0.035 0.000 2.640 163 K HA 0.486 4.807 4.320 0.001 0.000 0.245 163 K C -1.024 175.619 176.600 0.071 0.000 0.962 163 K CA -0.902 55.380 56.287 -0.008 0.000 0.896 163 K CB 1.550 34.055 32.500 0.009 0.000 1.147 163 K HN 0.220 nan 8.250 nan 0.000 0.445 164 V N 1.681 121.629 119.914 0.057 0.000 3.237 164 V HA 0.066 4.187 4.120 0.001 0.000 0.305 164 V C 0.269 176.421 176.094 0.097 0.000 1.096 164 V CA -0.156 62.239 62.300 0.157 0.000 1.130 164 V CB 0.951 32.843 31.823 0.114 0.000 1.048 164 V HN 0.894 nan 8.190 nan 0.000 0.484 165 D N 0.948 121.405 120.400 0.094 0.000 2.217 165 D HA 0.296 4.936 4.640 0.001 0.000 0.243 165 D C 0.019 176.340 176.300 0.035 0.000 1.054 165 D CA -0.422 53.606 54.000 0.047 0.000 0.838 165 D CB 1.980 42.801 40.800 0.035 0.000 1.162 165 D HN 0.252 nan 8.370 nan 0.000 0.472 166 L N 3.345 124.578 121.223 0.017 0.000 2.513 166 L HA 0.264 4.604 4.340 0.001 0.000 0.222 166 L C 2.302 179.174 176.870 0.003 0.000 1.096 166 L CA 0.655 55.500 54.840 0.009 0.000 0.857 166 L CB -0.103 41.955 42.059 -0.001 0.000 1.026 166 L HN 0.661 nan 8.230 nan 0.000 0.469 167 G N -1.234 107.567 108.800 0.002 0.000 2.448 167 G HA2 -0.048 3.912 3.960 0.001 0.000 0.218 167 G HA3 -0.048 3.912 3.960 0.001 0.000 0.218 167 G C 0.557 175.455 174.900 -0.003 0.000 1.135 167 G CA 0.138 45.236 45.100 -0.002 0.000 0.784 167 G HN 0.100 nan 8.290 nan 0.000 0.543 168 V N 3.122 123.036 119.914 -0.000 0.000 2.368 168 V HA 0.221 4.342 4.120 0.001 0.000 0.266 168 V C 0.037 176.128 176.094 -0.006 0.000 1.045 168 V CA -1.058 61.240 62.300 -0.003 0.000 0.899 168 V CB 1.117 32.938 31.823 -0.002 0.000 1.006 168 V HN 0.025 nan 8.190 nan 0.000 0.470 169 L N 4.748 125.965 121.223 -0.010 0.000 2.483 169 L HA 0.540 4.881 4.340 0.001 0.000 0.276 169 L C 1.014 177.873 176.870 -0.018 0.000 1.213 169 L CA 1.555 56.388 54.840 -0.013 0.000 0.843 169 L CB -0.515 41.536 42.059 -0.014 0.000 1.107 169 L HN 0.956 nan 8.230 nan 0.000 0.487 170 G N 2.754 111.543 108.800 -0.019 0.000 2.549 170 G HA2 -0.151 3.809 3.960 0.001 0.000 0.404 170 G HA3 -0.151 3.809 3.960 0.001 0.000 0.404 170 G C -0.464 174.414 174.900 -0.036 0.000 1.292 170 G CA -0.766 44.318 45.100 -0.028 0.000 0.935 170 G HN 0.542 nan 8.290 nan 0.000 0.512 171 K N 0.578 120.948 120.400 -0.050 0.000 2.185 171 K HA 0.458 4.779 4.320 0.001 0.000 0.271 171 K C 0.047 176.587 176.600 -0.100 0.000 1.013 171 K CA -0.057 56.188 56.287 -0.070 0.000 0.943 171 K CB 0.756 33.210 32.500 -0.077 0.000 0.998 171 K HN 0.531 nan 8.250 nan 0.000 0.468 172 Q N 2.363 122.089 119.800 -0.123 0.000 2.323 172 Q HA 0.256 4.597 4.340 0.001 0.000 0.271 172 Q C -1.053 174.748 176.000 -0.331 0.000 1.048 172 Q CA -0.735 54.917 55.803 -0.251 0.000 0.792 172 Q CB 2.753 31.413 28.738 -0.130 0.000 1.280 172 Q HN 0.404 nan 8.270 nan 0.000 0.441 173 Q N 2.170 121.674 119.800 -0.494 0.000 2.353 173 Q HA 0.555 4.895 4.340 0.001 0.000 0.268 173 Q C -1.304 174.409 176.000 -0.478 0.000 1.045 173 Q CA -0.483 55.135 55.803 -0.309 0.000 0.811 173 Q CB 1.879 30.512 28.738 -0.175 0.000 1.305 173 Q HN 0.468 nan 8.270 nan 0.000 0.447 174 F N 0.579 120.530 119.950 0.001 0.000 2.540 174 F HA 0.313 4.841 4.527 0.001 0.000 0.317 174 F C -0.294 175.557 175.800 0.086 0.000 1.104 174 F CA -0.972 57.070 58.000 0.070 0.000 0.913 174 F CB 1.699 40.796 39.000 0.162 0.000 1.170 174 F HN 0.369 nan 8.300 nan 0.000 0.450 175 D N 2.992 123.528 120.400 0.227 0.000 2.198 175 D HA 0.541 5.181 4.640 0.001 0.000 0.245 175 D C -0.826 175.565 176.300 0.152 0.000 1.079 175 D CA -0.134 53.953 54.000 0.146 0.000 0.854 175 D CB 1.192 42.031 40.800 0.065 0.000 1.148 175 D HN 0.302 nan 8.370 nan 0.000 0.456 176 L N 1.979 123.279 121.223 0.128 0.000 2.296 176 L HA 0.296 4.636 4.340 0.001 0.000 0.286 176 L C 0.616 177.527 176.870 0.068 0.000 1.023 176 L CA -0.840 54.055 54.840 0.092 0.000 0.812 176 L CB 1.221 43.326 42.059 0.077 0.000 1.223 176 L HN 0.384 nan 8.230 nan 0.000 0.421 177 E N 4.359 124.591 120.200 0.053 0.000 3.197 177 E HA -0.202 4.149 4.350 0.001 0.000 0.251 177 E C -0.025 176.603 176.600 0.047 0.000 0.912 177 E CA 0.414 56.841 56.400 0.044 0.000 0.960 177 E CB 0.011 29.730 29.700 0.032 0.000 0.897 177 E HN 0.606 nan 8.360 nan 0.000 0.550 178 N N 2.893 121.626 118.700 0.055 0.000 2.725 178 N HA -0.175 4.566 4.740 0.001 0.000 0.249 178 N C -1.341 174.220 175.510 0.085 0.000 1.103 178 N CA 1.025 54.114 53.050 0.065 0.000 0.707 178 N CB -0.408 38.107 38.487 0.047 0.000 1.043 178 N HN 0.380 nan 8.380 nan 0.000 0.553 179 K N 0.214 120.673 120.400 0.099 0.000 2.483 179 K HA 0.241 4.561 4.320 0.001 0.000 0.256 179 K C 0.657 177.360 176.600 0.173 0.000 0.961 179 K CA -0.620 55.742 56.287 0.126 0.000 0.873 179 K CB 0.437 32.996 32.500 0.099 0.000 1.107 179 K HN -0.015 nan 8.250 nan 0.000 0.432 180 F N 1.881 121.851 119.950 0.033 0.000 2.408 180 F HA -0.075 4.452 4.527 0.001 0.000 0.300 180 F C 0.444 176.267 175.800 0.038 0.000 1.090 180 F CA 1.273 59.292 58.000 0.032 0.000 1.427 180 F CB 0.436 39.451 39.000 0.025 0.000 1.070 180 F HN 0.213 nan 8.300 nan 0.000 0.549 181 K N 0.965 121.478 120.400 0.188 0.000 2.259 181 K HA 0.340 4.661 4.320 0.001 0.000 0.252 181 K C -2.554 174.108 176.600 0.103 0.000 0.936 181 K CA -2.111 54.245 56.287 0.115 0.000 0.810 181 K CB 1.733 34.328 32.500 0.160 0.000 1.143 181 K HN -0.170 nan 8.250 nan 0.000 0.427 182 P HA 0.199 nan 4.420 nan 0.000 0.293 182 P C -1.121 176.299 177.300 0.200 0.000 1.291 182 P CA -0.620 62.559 63.100 0.132 0.000 0.867 182 P CB 0.697 32.434 31.700 0.060 0.000 1.074 183 F N 2.294 122.315 119.950 0.119 0.000 2.472 183 F HA 0.303 4.830 4.527 0.001 0.000 0.364 183 F C -0.296 175.628 175.800 0.206 0.000 1.090 183 F CA 0.372 58.451 58.000 0.131 0.000 1.188 183 F CB 0.278 39.339 39.000 0.101 0.000 1.105 183 F HN 0.129 nan 8.300 nan 0.000 0.536 184 T N 6.751 120.984 114.554 -0.534 0.000 2.772 184 T HA 0.456 4.807 4.350 0.001 0.000 0.288 184 T C -0.695 173.663 174.700 -0.569 0.000 0.994 184 T CA -0.517 61.319 62.100 -0.439 0.000 0.951 184 T CB 1.024 69.786 68.868 -0.178 0.000 0.933 184 T HN 0.342 nan 8.240 nan 0.000 0.447 185 V N 3.817 123.504 119.914 -0.378 0.000 2.407 185 V HA 0.371 4.492 4.120 0.001 0.000 0.278 185 V C 0.335 176.376 176.094 -0.089 0.000 1.037 185 V CA -0.680 61.495 62.300 -0.207 0.000 0.900 185 V CB 1.415 33.213 31.823 -0.043 0.000 0.983 185 V HN 0.840 nan 8.190 nan 0.000 0.459 186 E N 4.815 124.977 120.200 -0.064 0.000 2.121 186 E HA 0.363 4.714 4.350 0.001 0.000 0.255 186 E C -0.774 175.817 176.600 -0.016 0.000 0.906 186 E CA -0.632 55.745 56.400 -0.038 0.000 0.745 186 E CB 0.608 30.287 29.700 -0.035 0.000 1.155 186 E HN 0.492 nan 8.360 nan 0.000 0.424 187 I N 4.457 125.022 120.570 -0.010 0.000 2.471 187 I HA 0.165 4.336 4.170 0.001 0.000 0.286 187 I C 0.284 176.398 176.117 -0.005 0.000 1.079 187 I CA -0.221 61.078 61.300 -0.002 0.000 1.398 187 I CB 0.685 38.686 38.000 0.001 0.000 1.403 187 I HN 0.293 nan 8.210 nan 0.000 0.530 188 V N 5.370 125.283 119.914 -0.001 0.000 3.019 188 V HA 0.254 4.374 4.120 0.001 0.000 0.317 188 V C -0.198 175.893 176.094 -0.005 0.000 1.094 188 V CA -0.859 61.441 62.300 -0.001 0.000 1.000 188 V CB 2.599 34.426 31.823 0.007 0.000 1.060 188 V HN 0.751 nan 8.190 nan 0.000 0.443 189 D N 0.964 121.358 120.400 -0.010 0.000 2.424 189 D HA 0.120 4.761 4.640 0.001 0.000 0.244 189 D C 1.131 177.411 176.300 -0.034 0.000 1.134 189 D CA 0.586 54.570 54.000 -0.027 0.000 0.881 189 D CB 1.438 42.220 40.800 -0.030 0.000 1.191 189 D HN 0.454 nan 8.370 nan 0.000 0.445 190 S N 1.736 117.395 115.700 -0.068 0.000 2.356 190 S HA -0.129 4.341 4.470 0.001 0.000 0.223 190 S C 1.851 176.337 174.600 -0.191 0.000 1.032 190 S CA 0.828 58.975 58.200 -0.088 0.000 1.005 190 S CB -0.008 63.120 63.200 -0.120 0.000 0.867 190 S HN 0.482 nan 8.310 nan 0.000 0.449 191 V N 1.592 121.308 119.914 -0.330 0.000 2.878 191 V HA 0.007 4.127 4.120 0.001 0.000 0.250 191 V C 2.462 178.558 176.094 0.004 0.000 1.075 191 V CA 0.828 62.921 62.300 -0.346 0.000 1.096 191 V CB -0.474 31.100 31.823 -0.415 0.000 0.724 191 V HN 0.403 nan 8.190 nan 0.000 0.467 192 E N 1.575 121.778 120.200 0.004 0.000 2.049 192 E HA -0.294 4.057 4.350 0.001 0.000 0.198 192 E C 2.224 178.869 176.600 0.075 0.000 1.007 192 E CA 2.032 58.456 56.400 0.039 0.000 0.809 192 E CB -0.143 29.564 29.700 0.012 0.000 0.749 192 E HN 0.513 nan 8.360 nan 0.000 0.450 193 A N -0.006 122.873 122.820 0.099 0.000 1.972 193 A HA -0.194 4.126 4.320 0.001 0.000 0.219 193 A C 2.119 179.786 177.584 0.139 0.000 1.169 193 A CA 1.511 53.608 52.037 0.101 0.000 0.635 193 A CB -0.835 18.227 19.000 0.102 0.000 0.810 193 A HN 0.518 nan 8.150 nan 0.000 0.446 194 Y N 0.388 120.743 120.300 0.092 0.000 2.184 194 Y HA 0.037 4.588 4.550 0.001 0.000 0.290 194 Y C 2.637 178.619 175.900 0.136 0.000 1.129 194 Y CA 1.160 59.343 58.100 0.140 0.000 1.144 194 Y CB -0.575 38.038 38.460 0.255 0.000 0.995 194 Y HN 0.279 nan 8.280 nan 0.000 0.513 195 A N -0.643 122.233 122.820 0.094 0.000 1.930 195 A HA -0.153 4.168 4.320 0.001 0.000 0.217 195 A C 2.189 179.723 177.584 -0.083 0.000 1.175 195 A CA 2.176 54.228 52.037 0.026 0.000 0.627 195 A CB -1.332 17.749 19.000 0.135 0.000 0.815 195 A HN 0.517 nan 8.150 nan 0.000 0.443 196 T N -0.007 114.513 114.554 -0.057 0.000 2.684 196 T HA -0.247 4.103 4.350 0.001 0.000 0.267 196 T C 1.950 176.564 174.700 -0.143 0.000 1.036 196 T CA 1.808 63.848 62.100 -0.099 0.000 1.148 196 T CB -0.365 68.474 68.868 -0.049 0.000 0.863 196 T HN 0.566 nan 8.240 nan 0.000 0.436 197 M N 0.710 120.236 119.600 -0.124 0.000 2.080 197 M HA -0.075 4.405 4.480 0.001 0.000 0.260 197 M C 2.055 178.227 176.300 -0.213 0.000 1.068 197 M CA 1.701 56.914 55.300 -0.146 0.000 1.109 197 M CB -0.392 32.142 32.600 -0.111 0.000 1.342 197 M HN 0.213 nan 8.290 nan 0.000 0.405 198 L N -0.292 120.787 121.223 -0.239 0.000 2.079 198 L HA -0.232 4.109 4.340 0.001 0.000 0.210 198 L C 2.674 179.423 176.870 -0.202 0.000 1.081 198 L CA 1.329 56.110 54.840 -0.098 0.000 0.752 198 L CB -0.745 41.361 42.059 0.079 0.000 0.896 198 L HN 0.373 nan 8.230 nan 0.000 0.433 199 R N 0.072 120.272 120.500 -0.500 0.000 2.103 199 R HA -0.165 4.175 4.340 0.001 0.000 0.242 199 R C 2.050 178.130 176.300 -0.367 0.000 1.142 199 R CA 1.701 57.363 56.100 -0.730 0.000 0.960 199 R CB -0.254 29.721 30.300 -0.542 0.000 0.858 199 R HN 0.526 nan 8.270 nan 0.000 0.439 200 N N 0.107 118.664 118.700 -0.238 0.000 2.333 200 N HA -0.062 4.678 4.740 0.001 0.000 0.178 200 N C 1.891 177.317 175.510 -0.140 0.000 1.018 200 N CA 0.836 53.798 53.050 -0.147 0.000 0.882 200 N CB 0.083 38.507 38.487 -0.104 0.000 0.984 200 N HN 0.225 nan 8.380 nan 0.000 0.434 201 I N 0.401 120.830 120.570 -0.235 0.000 2.110 201 I HA -0.181 3.989 4.170 0.001 0.000 0.236 201 I C 0.584 176.441 176.117 -0.433 0.000 1.068 201 I CA 1.165 62.214 61.300 -0.420 0.000 1.333 201 I CB -0.156 37.380 38.000 -0.774 0.000 1.054 201 I HN -0.117 nan 8.210 nan 0.000 0.402 202 F N 0.120 120.058 119.950 -0.020 0.000 2.364 202 F HA 0.211 4.738 4.527 0.001 0.000 0.316 202 F C 0.520 176.383 175.800 0.104 0.000 1.133 202 F CA -0.677 57.360 58.000 0.062 0.000 1.051 202 F CB 0.147 39.232 39.000 0.142 0.000 1.342 202 F HN -0.126 nan 8.300 nan 0.000 0.507 203 D N 0.274 120.888 120.400 0.356 0.000 2.467 203 D HA 0.153 4.793 4.640 0.001 0.000 0.220 203 D C 0.272 176.779 176.300 0.344 0.000 1.103 203 D CA -0.172 53.974 54.000 0.243 0.000 0.886 203 D CB -0.040 40.851 40.800 0.151 0.000 1.025 203 D HN 0.202 nan 8.370 nan 0.000 0.514 204 F N 2.116 122.094 119.950 0.047 0.000 2.604 204 F HA 0.011 4.538 4.527 0.001 0.000 0.298 204 F C 1.891 177.692 175.800 0.003 0.000 1.131 204 F CA 0.206 58.215 58.000 0.016 0.000 1.457 204 F CB -0.276 38.732 39.000 0.014 0.000 1.095 204 F HN 0.402 nan 8.300 nan 0.000 0.574 205 N N 0.153 118.962 118.700 0.181 0.000 2.173 205 N HA -0.052 4.688 4.740 0.001 0.000 0.184 205 N C 2.201 177.743 175.510 0.053 0.000 1.025 205 N CA 1.245 54.352 53.050 0.094 0.000 0.852 205 N CB -0.595 37.934 38.487 0.070 0.000 0.998 205 N HN 0.202 nan 8.380 nan 0.000 0.427 206 A N 1.903 124.755 122.820 0.054 0.000 1.940 206 A HA -0.065 4.255 4.320 0.001 0.000 0.219 206 A C 2.328 179.903 177.584 -0.015 0.000 1.176 206 A CA 0.973 53.023 52.037 0.021 0.000 0.631 206 A CB -0.707 18.312 19.000 0.030 0.000 0.814 206 A HN 0.188 nan 8.150 nan 0.000 0.446 207 L N -1.116 120.088 121.223 -0.031 0.000 2.156 207 L HA -0.139 4.202 4.340 0.001 0.000 0.208 207 L C 2.470 179.269 176.870 -0.118 0.000 1.095 207 L CA 1.333 56.103 54.840 -0.116 0.000 0.770 207 L CB -0.489 41.434 42.059 -0.227 0.000 0.914 207 L HN 0.389 nan 8.230 nan 0.000 0.439 208 K N -0.143 120.212 120.400 -0.076 0.000 2.097 208 K HA -0.141 4.180 4.320 0.001 0.000 0.205 208 K C 2.015 178.587 176.600 -0.046 0.000 1.050 208 K CA 0.887 57.138 56.287 -0.061 0.000 0.938 208 K CB 0.045 32.533 32.500 -0.019 0.000 0.718 208 K HN 0.255 nan 8.250 nan 0.000 0.442 209 E N 1.217 121.397 120.200 -0.034 0.000 2.058 209 E HA -0.203 4.148 4.350 0.001 0.000 0.194 209 E C 2.013 178.587 176.600 -0.044 0.000 0.997 209 E CA 0.735 57.117 56.400 -0.030 0.000 0.801 209 E CB -0.342 29.345 29.700 -0.021 0.000 0.746 209 E HN 0.225 nan 8.360 nan 0.000 0.450 210 L N 0.741 121.928 121.223 -0.059 0.000 1.994 210 L HA -0.144 4.197 4.340 0.001 0.000 0.208 210 L C 2.204 179.023 176.870 -0.084 0.000 1.071 210 L CA 1.543 56.337 54.840 -0.076 0.000 0.745 210 L CB -0.479 41.520 42.059 -0.100 0.000 0.892 210 L HN 0.138 nan 8.230 nan 0.000 0.431 211 L N -0.838 120.329 121.223 -0.093 0.000 2.558 211 L HA -0.008 4.333 4.340 0.001 0.000 0.225 211 L C 1.908 178.743 176.870 -0.059 0.000 1.128 211 L CA 0.767 55.556 54.840 -0.084 0.000 0.868 211 L CB -0.154 41.842 42.059 -0.105 0.000 1.006 211 L HN 0.379 nan 8.230 nan 0.000 0.454 212 S N -2.274 113.396 115.700 -0.050 0.000 2.648 212 S HA 0.190 4.660 4.470 0.001 0.000 0.270 212 S C 1.175 175.757 174.600 -0.029 0.000 1.080 212 S CA 0.195 58.373 58.200 -0.036 0.000 1.159 212 S CB 0.023 63.204 63.200 -0.031 0.000 1.091 212 S HN 0.194 nan 8.310 nan 0.000 0.605 213 G N 3.235 112.018 108.800 -0.029 0.000 2.518 213 G HA2 0.306 4.266 3.960 0.001 0.000 0.284 213 G HA3 0.306 4.266 3.960 0.001 0.000 0.284 213 G C -0.690 174.196 174.900 -0.023 0.000 1.362 213 G CA -0.070 45.016 45.100 -0.023 0.000 1.065 213 G HN 0.293 nan 8.290 nan 0.000 0.561 214 P HA -0.089 nan 4.420 nan 0.000 0.216 214 P C 0.190 177.477 177.300 -0.022 0.000 1.153 214 P CA 1.493 64.582 63.100 -0.018 0.000 0.858 214 P CB -0.068 31.623 31.700 -0.015 0.000 0.789 215 N N -0.361 118.325 118.700 -0.024 0.000 2.765 215 N HA 0.137 4.878 4.740 0.001 0.000 0.277 215 N C 0.003 175.494 175.510 -0.033 0.000 1.750 215 N CA -0.674 52.359 53.050 -0.028 0.000 0.827 215 N CB -0.021 38.452 38.487 -0.024 0.000 1.200 215 N HN 0.223 nan 8.380 nan 0.000 0.494 216 R N -0.640 119.838 120.500 -0.037 0.000 2.679 216 R HA 0.367 4.708 4.340 0.001 0.000 0.269 216 R C -0.401 175.869 176.300 -0.049 0.000 1.076 216 R CA -0.780 55.294 56.100 -0.043 0.000 1.160 216 R CB 0.481 30.755 30.300 -0.043 0.000 1.054 216 R HN 0.205 nan 8.270 nan 0.000 0.507 217 L N 2.005 123.194 121.223 -0.055 0.000 2.315 217 L HA 0.176 4.516 4.340 0.001 0.000 0.283 217 L C -0.607 176.238 176.870 -0.042 0.000 1.089 217 L CA 0.250 55.057 54.840 -0.055 0.000 0.833 217 L CB 0.566 42.576 42.059 -0.081 0.000 1.170 217 L HN 0.570 nan 8.230 nan 0.000 0.442 218 K N 7.625 128.005 120.400 -0.034 0.000 2.292 218 K HA 0.341 4.661 4.320 0.001 0.000 0.290 218 K C -0.234 176.421 176.600 0.091 0.000 1.083 218 K CA -0.065 56.205 56.287 -0.028 0.000 0.918 218 K CB 0.313 32.728 32.500 -0.142 0.000 1.089 218 K HN 0.669 nan 8.250 nan 0.000 0.473 219 I N -0.847 119.803 120.570 0.135 0.000 2.822 219 I HA 0.628 4.799 4.170 0.001 0.000 0.312 219 I C -0.601 175.665 176.117 0.248 0.000 1.011 219 I CA -1.127 60.314 61.300 0.236 0.000 1.105 219 I CB 1.731 39.860 38.000 0.215 0.000 1.291 219 I HN 0.302 nan 8.210 nan 0.000 0.474 220 R N 4.876 125.474 120.500 0.164 0.000 2.502 220 R HA 0.569 4.909 4.340 0.001 0.000 0.298 220 R C -1.674 174.617 176.300 -0.016 0.000 1.018 220 R CA -0.666 55.445 56.100 0.019 0.000 0.899 220 R CB 1.044 31.225 30.300 -0.198 0.000 1.181 220 R HN 0.656 nan 8.270 nan 0.000 0.444 221 I N 3.517 124.093 120.570 0.011 0.000 2.437 221 I HA 0.267 4.438 4.170 0.001 0.000 0.279 221 I C -0.342 175.766 176.117 -0.014 0.000 1.028 221 I CA -0.765 60.540 61.300 0.008 0.000 1.142 221 I CB 1.315 39.398 38.000 0.139 0.000 1.266 221 I HN 0.514 nan 8.210 nan 0.000 0.461 222 D N 4.897 125.230 120.400 -0.111 0.000 2.264 222 D HA 0.468 5.109 4.640 0.001 0.000 0.250 222 D C 0.413 176.688 176.300 -0.041 0.000 1.113 222 D CA -0.047 53.891 54.000 -0.104 0.000 0.871 222 D CB 2.241 42.945 40.800 -0.159 0.000 1.167 222 D HN 0.626 nan 8.370 nan 0.000 0.447 223 A N 3.866 126.712 122.820 0.043 0.000 2.508 223 A HA 0.171 4.492 4.320 0.001 0.000 0.257 223 A C 1.036 178.691 177.584 0.118 0.000 1.226 223 A CA -0.176 51.988 52.037 0.211 0.000 0.947 223 A CB -0.360 18.784 19.000 0.238 0.000 1.079 223 A HN 0.753 nan 8.150 nan 0.000 0.531 224 M N -0.290 119.283 119.600 -0.045 0.000 2.210 224 M HA -0.309 4.172 4.480 0.001 0.000 0.198 224 M C 0.278 176.624 176.300 0.077 0.000 0.319 224 M CA 1.295 56.548 55.300 -0.079 0.000 0.399 224 M CB -2.318 30.299 32.600 0.030 0.000 1.227 224 M HN 0.770 nan 8.290 nan 0.000 0.931 225 H N -3.918 115.263 119.070 0.185 0.000 3.010 225 H HA -0.116 4.440 4.556 0.001 0.000 0.272 225 H C 1.092 176.533 175.328 0.189 0.000 1.151 225 H CA 0.872 57.023 56.048 0.173 0.000 1.159 225 H CB -1.637 28.230 29.762 0.176 0.000 1.295 225 H HN 0.826 nan 8.280 nan 0.000 0.344 226 G N -0.808 108.210 108.800 0.363 0.000 2.671 226 G HA2 0.351 4.311 3.960 0.001 0.000 0.275 226 G HA3 0.351 4.311 3.960 0.001 0.000 0.275 226 G C 0.929 175.941 174.900 0.186 0.000 1.368 226 G CA -0.116 45.207 45.100 0.371 0.000 1.044 226 G HN 0.143 nan 8.290 nan 0.000 0.543 227 V N -0.449 119.561 119.914 0.160 0.000 2.660 227 V HA -0.146 3.974 4.120 0.001 0.000 0.257 227 V C 2.749 178.898 176.094 0.092 0.000 1.088 227 V CA 1.633 63.992 62.300 0.098 0.000 1.106 227 V CB -0.257 31.597 31.823 0.052 0.000 0.686 227 V HN 0.350 nan 8.190 nan 0.000 0.481 228 V N 0.376 120.311 119.914 0.034 0.000 3.141 228 V HA -0.018 4.102 4.120 0.001 0.000 0.265 228 V C 2.458 178.643 176.094 0.152 0.000 1.126 228 V CA 1.218 63.498 62.300 -0.033 0.000 1.141 228 V CB -0.999 30.668 31.823 -0.260 0.000 0.743 228 V HN 0.628 nan 8.190 nan 0.000 0.492 229 G N 2.026 110.926 108.800 0.165 0.000 2.586 229 G HA2 -0.242 3.718 3.960 0.001 0.000 0.218 229 G HA3 -0.242 3.718 3.960 0.001 0.000 0.218 229 G C 0.232 175.218 174.900 0.144 0.000 1.216 229 G CA 1.385 46.575 45.100 0.149 0.000 0.786 229 G HN 0.554 nan 8.290 nan 0.000 0.583 230 P HA -0.199 nan 4.420 nan 0.000 0.216 230 P C 1.164 178.462 177.300 -0.003 0.000 1.154 230 P CA 1.561 64.673 63.100 0.019 0.000 0.865 230 P CB -0.278 31.384 31.700 -0.064 0.000 0.789 231 Y N -0.389 119.922 120.300 0.020 0.000 2.274 231 Y HA -0.107 4.444 4.550 0.001 0.000 0.290 231 Y C 2.660 178.595 175.900 0.058 0.000 1.145 231 Y CA 0.798 58.926 58.100 0.046 0.000 1.203 231 Y CB -1.369 37.090 38.460 -0.000 0.000 0.984 231 Y HN -0.220 nan 8.280 nan 0.000 0.533 232 V N -0.314 119.723 119.914 0.204 0.000 2.591 232 V HA -0.172 3.948 4.120 0.001 0.000 0.249 232 V C 2.179 178.333 176.094 0.100 0.000 1.053 232 V CA 1.243 63.635 62.300 0.152 0.000 1.068 232 V CB -0.274 31.656 31.823 0.178 0.000 0.689 232 V HN 0.273 nan 8.190 nan 0.000 0.462 233 K N 0.674 121.122 120.400 0.082 0.000 1.967 233 K HA -0.124 4.197 4.320 0.001 0.000 0.212 233 K C 2.154 178.776 176.600 0.037 0.000 1.044 233 K CA 1.415 57.733 56.287 0.050 0.000 0.942 233 K CB -0.449 32.075 32.500 0.039 0.000 0.726 233 K HN 0.375 nan 8.250 nan 0.000 0.440 234 K N 0.641 121.056 120.400 0.026 0.000 2.032 234 K HA -0.069 4.252 4.320 0.001 0.000 0.209 234 K C 2.318 178.950 176.600 0.053 0.000 1.048 234 K CA 1.371 57.671 56.287 0.022 0.000 0.927 234 K CB -0.204 32.287 32.500 -0.014 0.000 0.712 234 K HN 0.156 nan 8.250 nan 0.000 0.441 235 I N 0.612 121.233 120.570 0.085 0.000 2.480 235 I HA -0.181 3.990 4.170 0.001 0.000 0.251 235 I C 2.182 178.291 176.117 -0.013 0.000 1.124 235 I CA 0.962 62.319 61.300 0.096 0.000 1.444 235 I CB -0.147 37.955 38.000 0.170 0.000 1.098 235 I HN 0.083 nan 8.210 nan 0.000 0.428 236 L N -0.473 120.747 121.223 -0.004 0.000 2.221 236 L HA -0.017 4.323 4.340 0.001 0.000 0.202 236 L C 2.475 179.324 176.870 -0.035 0.000 1.074 236 L CA 0.563 55.372 54.840 -0.051 0.000 0.795 236 L CB -0.252 41.803 42.059 -0.007 0.000 0.960 236 L HN 0.330 nan 8.230 nan 0.000 0.458 237 C N -0.025 119.276 119.300 0.001 0.000 2.739 237 C HA -0.034 4.427 4.460 0.001 0.000 0.285 237 C C 2.548 177.538 174.990 -0.000 0.000 1.301 237 C CA 0.133 59.153 59.018 0.003 0.000 1.700 237 C CB -0.391 27.360 27.740 0.019 0.000 2.147 237 C HN 0.446 nan 8.230 nan 0.000 0.510 238 E N 1.097 121.303 120.200 0.010 0.000 1.992 238 E HA -0.262 4.088 4.350 0.001 0.000 0.202 238 E C 2.052 178.662 176.600 0.017 0.000 1.007 238 E CA 1.451 57.860 56.400 0.014 0.000 0.857 238 E CB -0.410 29.302 29.700 0.020 0.000 0.796 238 E HN 0.598 nan 8.360 nan 0.000 0.486 239 E N 0.727 120.948 120.200 0.035 0.000 2.048 239 E HA -0.223 4.128 4.350 0.001 0.000 0.202 239 E C 2.012 178.620 176.600 0.014 0.000 1.021 239 E CA 1.286 57.722 56.400 0.059 0.000 0.825 239 E CB -0.114 29.667 29.700 0.135 0.000 0.756 239 E HN 0.164 nan 8.360 nan 0.000 0.454 240 L N -0.723 120.459 121.223 -0.069 0.000 2.599 240 L HA 0.146 4.486 4.340 0.001 0.000 0.230 240 L C 1.508 178.330 176.870 -0.081 0.000 1.141 240 L CA 0.398 55.158 54.840 -0.132 0.000 0.877 240 L CB 0.076 41.960 42.059 -0.292 0.000 1.009 240 L HN 0.541 nan 8.230 nan 0.000 0.447 241 G N 0.045 108.819 108.800 -0.044 0.000 2.162 241 G HA2 -0.303 3.657 3.960 0.001 0.000 0.260 241 G HA3 -0.303 3.657 3.960 0.001 0.000 0.260 241 G C 0.450 175.331 174.900 -0.031 0.000 0.976 241 G CA 0.087 45.169 45.100 -0.030 0.000 0.655 241 G HN 0.520 nan 8.290 nan 0.000 0.533 242 A N 0.477 123.275 122.820 -0.038 0.000 2.462 242 A HA 0.612 4.933 4.320 0.001 0.000 0.243 242 A C -1.340 176.239 177.584 -0.007 0.000 1.076 242 A CA -0.580 51.442 52.037 -0.026 0.000 0.773 242 A CB 0.145 19.132 19.000 -0.022 0.000 1.010 242 A HN 0.189 nan 8.150 nan 0.000 0.493 243 P HA 0.083 nan 4.420 nan 0.000 0.261 243 P C 0.901 178.210 177.300 0.016 0.000 1.183 243 P CA 0.888 63.990 63.100 0.005 0.000 0.761 243 P CB 0.692 32.394 31.700 0.003 0.000 0.785 244 A N 4.750 127.580 122.820 0.016 0.000 2.054 244 A HA -0.258 4.063 4.320 0.001 0.000 0.223 244 A C 1.609 179.212 177.584 0.032 0.000 1.169 244 A CA 2.031 54.082 52.037 0.024 0.000 0.655 244 A CB -1.089 17.923 19.000 0.020 0.000 0.812 244 A HN 0.711 nan 8.150 nan 0.000 0.462 245 N N -0.509 118.211 118.700 0.033 0.000 2.421 245 N HA 0.054 4.795 4.740 0.001 0.000 0.201 245 N C 0.791 176.337 175.510 0.060 0.000 1.198 245 N CA 1.009 54.085 53.050 0.043 0.000 0.838 245 N CB -0.220 38.292 38.487 0.042 0.000 1.011 245 N HN 0.284 nan 8.380 nan 0.000 0.463 246 S N -0.191 115.544 115.700 0.058 0.000 2.470 246 S HA 0.253 4.723 4.470 0.001 0.000 0.222 246 S C 0.881 175.520 174.600 0.064 0.000 1.024 246 S CA -0.070 58.175 58.200 0.074 0.000 0.931 246 S CB 0.104 63.344 63.200 0.066 0.000 0.791 246 S HN 0.601 nan 8.310 nan 0.000 0.513 247 A N 2.623 125.477 122.820 0.057 0.000 2.457 247 A HA 0.500 4.821 4.320 0.001 0.000 0.298 247 A C -0.076 177.534 177.584 0.045 0.000 1.288 247 A CA -0.273 51.802 52.037 0.063 0.000 0.956 247 A CB -0.233 18.805 19.000 0.065 0.000 1.135 247 A HN 0.168 nan 8.150 nan 0.000 0.535 248 V N 3.758 123.688 119.914 0.026 0.000 2.439 248 V HA 0.245 4.366 4.120 0.001 0.000 0.282 248 V C 0.681 176.755 176.094 -0.034 0.000 1.039 248 V CA -0.850 61.444 62.300 -0.010 0.000 0.913 248 V CB 0.810 32.603 31.823 -0.050 0.000 0.983 248 V HN 0.966 nan 8.190 nan 0.000 0.460 249 N N 1.512 120.185 118.700 -0.046 0.000 2.693 249 N HA -0.202 4.539 4.740 0.001 0.000 0.249 249 N C 0.602 176.110 175.510 -0.004 0.000 1.119 249 N CA 1.107 54.093 53.050 -0.107 0.000 0.717 249 N CB -1.100 37.079 38.487 -0.513 0.000 1.071 249 N HN 0.845 nan 8.380 nan 0.000 0.555 250 C N 0.918 120.251 119.300 0.056 0.000 2.327 250 C HA 0.216 4.677 4.460 0.001 0.000 0.401 250 C C 1.054 176.104 174.990 0.099 0.000 1.297 250 C CA -0.262 58.809 59.018 0.088 0.000 1.628 250 C CB -1.327 26.466 27.740 0.089 0.000 1.787 250 C HN 0.110 nan 8.230 nan 0.000 0.590 251 V N 2.049 122.037 119.914 0.125 0.000 2.349 251 V HA 0.267 4.387 4.120 0.001 0.000 0.284 251 V C -2.351 173.810 176.094 0.112 0.000 1.014 251 V CA -1.507 60.855 62.300 0.103 0.000 0.826 251 V CB 1.468 33.346 31.823 0.093 0.000 1.009 251 V HN 0.156 nan 8.190 nan 0.000 0.431 252 P HA 0.096 nan 4.420 nan 0.000 0.258 252 P C -0.699 176.566 177.300 -0.057 0.000 1.172 252 P CA 0.571 63.675 63.100 0.006 0.000 0.762 252 P CB 0.337 32.031 31.700 -0.010 0.000 0.764 253 L N 3.283 124.420 121.223 -0.143 0.000 2.346 253 L HA 0.257 4.598 4.340 0.001 0.000 0.276 253 L C 1.644 178.313 176.870 -0.335 0.000 1.006 253 L CA -0.638 54.096 54.840 -0.176 0.000 0.817 253 L CB 1.646 43.615 42.059 -0.151 0.000 1.272 253 L HN 0.386 nan 8.230 nan 0.000 0.421 254 E N 1.365 121.463 120.200 -0.171 0.000 2.130 254 E HA -0.226 4.125 4.350 0.001 0.000 0.196 254 E C 0.519 177.097 176.600 -0.036 0.000 0.998 254 E CA 1.722 58.069 56.400 -0.088 0.000 0.806 254 E CB 0.154 29.916 29.700 0.104 0.000 0.738 254 E HN 0.719 nan 8.360 nan 0.000 0.459 255 D N -1.033 119.365 120.400 -0.004 0.000 2.398 255 D HA -0.067 4.573 4.640 0.001 0.000 0.210 255 D C 0.054 176.559 176.300 0.341 0.000 1.094 255 D CA -0.339 53.754 54.000 0.154 0.000 0.839 255 D CB -0.257 40.562 40.800 0.033 0.000 0.963 255 D HN 0.046 nan 8.370 nan 0.000 0.506 256 F N 0.928 120.929 119.950 0.085 0.000 3.093 256 F HA -0.122 4.405 4.527 0.001 0.000 0.287 256 F C 1.484 177.363 175.800 0.132 0.000 0.882 256 F CA 0.683 58.776 58.000 0.154 0.000 1.063 256 F CB -2.001 37.111 39.000 0.187 0.000 1.097 256 F HN 0.304 nan 8.300 nan 0.000 0.604 257 G N -0.750 108.077 108.800 0.044 0.000 2.246 257 G HA2 0.197 4.157 3.960 0.001 0.000 0.273 257 G HA3 0.197 4.157 3.960 0.001 0.000 0.273 257 G C 1.146 176.030 174.900 -0.026 0.000 1.055 257 G CA 0.826 45.884 45.100 -0.071 0.000 0.851 257 G HN 2.250 nan 8.290 nan 0.000 0.500 258 G N -1.572 107.195 108.800 -0.055 0.000 2.323 258 G HA2 -0.043 3.918 3.960 0.001 0.000 0.292 258 G HA3 -0.043 3.918 3.960 0.001 0.000 0.292 258 G C 0.029 174.626 174.900 -0.505 0.000 1.040 258 G CA 1.216 46.188 45.100 -0.214 0.000 0.942 258 G HN 1.697 nan 8.290 nan 0.000 0.506 259 H N -1.771 117.399 119.070 0.168 0.000 2.980 259 H HA 0.601 5.157 4.556 0.001 0.000 0.367 259 H C -0.652 174.782 175.328 0.178 0.000 1.206 259 H CA -1.004 55.130 56.048 0.143 0.000 1.126 259 H CB 1.112 30.980 29.762 0.177 0.000 1.838 259 H HN 0.276 nan 8.280 nan 0.000 0.552 260 H N 2.196 121.297 119.070 0.052 0.000 2.652 260 H HA 0.141 4.697 4.556 0.001 0.000 0.298 260 H C -2.146 173.047 175.328 -0.224 0.000 1.076 260 H CA -2.897 53.032 56.048 -0.198 0.000 1.360 260 H CB 0.700 30.146 29.762 -0.527 0.000 1.421 260 H HN 0.395 nan 8.280 nan 0.000 0.464 261 P HA -0.027 nan 4.420 nan 0.000 0.238 261 P C -0.428 176.789 177.300 -0.139 0.000 1.679 261 P CA 0.364 63.370 63.100 -0.158 0.000 1.080 261 P CB 0.025 31.459 31.700 -0.444 0.000 1.961 262 D N 2.704 122.989 120.400 -0.192 0.000 2.686 262 D HA 0.201 4.842 4.640 0.001 0.000 0.249 262 D C -2.615 173.540 176.300 -0.240 0.000 1.260 262 D CA -2.387 51.430 54.000 -0.305 0.000 0.910 262 D CB 2.622 43.026 40.800 -0.660 0.000 1.323 262 D HN 0.068 nan 8.370 nan 0.000 0.561 263 P HA 0.133 nan 4.420 nan 0.000 0.263 263 P C -0.995 175.881 177.300 -0.708 0.000 1.601 263 P CA -0.189 62.684 63.100 -0.378 0.000 1.161 263 P CB -0.325 31.203 31.700 -0.286 0.000 1.730 264 N N 1.062 119.514 118.700 -0.415 0.000 2.825 264 N HA 0.182 4.923 4.740 0.001 0.000 0.253 264 N C 0.802 176.196 175.510 -0.192 0.000 1.426 264 N CA -1.053 51.762 53.050 -0.391 0.000 0.851 264 N CB 0.285 38.576 38.487 -0.328 0.000 1.470 264 N HN -0.142 nan 8.380 nan 0.000 0.517 265 L N -1.025 120.074 121.223 -0.207 0.000 2.263 265 L HA -0.161 4.179 4.340 0.001 0.000 0.216 265 L C 1.725 178.476 176.870 -0.199 0.000 1.111 265 L CA 1.904 56.613 54.840 -0.218 0.000 0.773 265 L CB -1.123 40.746 42.059 -0.317 0.000 0.906 265 L HN 0.885 nan 8.230 nan 0.000 0.439 266 T N -4.966 109.443 114.554 -0.242 0.000 2.983 266 T HA -0.058 4.293 4.350 0.001 0.000 0.250 266 T C 1.748 176.293 174.700 -0.259 0.000 1.037 266 T CA 0.323 62.245 62.100 -0.296 0.000 1.142 266 T CB -0.417 68.184 68.868 -0.444 0.000 0.876 266 T HN 0.088 nan 8.240 nan 0.000 0.455 267 Y N 2.372 122.594 120.300 -0.130 0.000 2.263 267 Y HA 0.469 5.019 4.550 0.001 0.000 0.292 267 Y C 2.488 178.323 175.900 -0.108 0.000 1.130 267 Y CA -0.004 58.033 58.100 -0.106 0.000 1.179 267 Y CB -0.477 37.921 38.460 -0.104 0.000 0.998 267 Y HN 0.357 nan 8.280 nan 0.000 0.532 268 A N -0.347 122.486 122.820 0.021 0.000 2.988 268 A HA 0.579 4.899 4.320 0.001 0.000 0.288 268 A C 1.895 179.426 177.584 -0.088 0.000 1.385 268 A CA 0.478 52.478 52.037 -0.062 0.000 1.001 268 A CB -1.026 17.909 19.000 -0.108 0.000 1.071 268 A HN 0.294 nan 8.150 nan 0.000 0.608 269 A N 0.237 123.011 122.820 -0.077 0.000 1.908 269 A HA -0.192 4.128 4.320 0.001 0.000 0.218 269 A C 1.786 179.319 177.584 -0.085 0.000 1.181 269 A CA 1.783 53.767 52.037 -0.087 0.000 0.627 269 A CB -0.370 18.583 19.000 -0.079 0.000 0.818 269 A HN 0.558 nan 8.150 nan 0.000 0.445 270 D N -0.273 120.074 120.400 -0.088 0.000 2.123 270 D HA -0.158 4.482 4.640 0.001 0.000 0.196 270 D C 1.930 178.167 176.300 -0.104 0.000 0.992 270 D CA 1.244 55.188 54.000 -0.092 0.000 0.833 270 D CB -0.201 40.533 40.800 -0.110 0.000 0.954 270 D HN 0.422 nan 8.370 nan 0.000 0.455 271 L N 0.988 122.138 121.223 -0.121 0.000 2.017 271 L HA -0.162 4.178 4.340 0.001 0.000 0.208 271 L C 2.527 179.320 176.870 -0.127 0.000 1.073 271 L CA 0.960 55.715 54.840 -0.142 0.000 0.745 271 L CB -0.232 41.730 42.059 -0.162 0.000 0.894 271 L HN -0.084 nan 8.230 nan 0.000 0.432 272 V N -0.006 119.845 119.914 -0.105 0.000 2.392 272 V HA -0.329 3.791 4.120 0.001 0.000 0.249 272 V C 2.435 178.492 176.094 -0.062 0.000 1.059 272 V CA 2.133 64.386 62.300 -0.079 0.000 1.051 272 V CB -0.627 31.149 31.823 -0.079 0.000 0.658 272 V HN 0.544 nan 8.190 nan 0.000 0.455 273 E N 0.040 120.201 120.200 -0.065 0.000 2.072 273 E HA -0.199 4.151 4.350 0.001 0.000 0.191 273 E C 2.264 178.836 176.600 -0.047 0.000 0.985 273 E CA 1.740 58.112 56.400 -0.046 0.000 0.801 273 E CB -0.106 29.568 29.700 -0.044 0.000 0.750 273 E HN 0.629 nan 8.360 nan 0.000 0.452 274 T N 1.258 115.762 114.554 -0.082 0.000 2.684 274 T HA -0.158 4.193 4.350 0.001 0.000 0.267 274 T C 1.736 176.358 174.700 -0.129 0.000 1.036 274 T CA 1.387 63.416 62.100 -0.118 0.000 1.148 274 T CB -0.084 68.666 68.868 -0.196 0.000 0.863 274 T HN 0.186 nan 8.240 nan 0.000 0.436 275 M N 0.749 120.274 119.600 -0.125 0.000 2.358 275 M HA 0.036 4.517 4.480 0.001 0.000 0.264 275 M C 2.039 178.344 176.300 0.009 0.000 1.064 275 M CA 1.166 56.418 55.300 -0.079 0.000 1.093 275 M CB -0.899 31.660 32.600 -0.069 0.000 1.401 275 M HN 0.072 nan 8.290 nan 0.000 0.440 276 K N 0.823 121.238 120.400 0.027 0.000 2.097 276 K HA -0.075 4.246 4.320 0.001 0.000 0.206 276 K C 2.054 178.736 176.600 0.137 0.000 1.049 276 K CA 1.556 57.895 56.287 0.087 0.000 0.933 276 K CB -0.398 32.131 32.500 0.048 0.000 0.717 276 K HN 0.451 nan 8.250 nan 0.000 0.442 277 S N -1.066 114.687 115.700 0.089 0.000 2.440 277 S HA -0.091 4.380 4.470 0.001 0.000 0.238 277 S C 1.683 176.351 174.600 0.113 0.000 1.010 277 S CA 1.158 59.417 58.200 0.099 0.000 0.972 277 S CB -0.582 62.664 63.200 0.077 0.000 0.774 277 S HN 0.462 nan 8.310 nan 0.000 0.501 278 G N 0.725 109.551 108.800 0.043 0.000 2.176 278 G HA2 -0.297 3.664 3.960 0.001 0.000 0.253 278 G HA3 -0.297 3.664 3.960 0.001 0.000 0.253 278 G C 0.689 175.517 174.900 -0.121 0.000 0.979 278 G CA 0.486 45.457 45.100 -0.215 0.000 0.641 278 G HN 0.462 nan 8.290 nan 0.000 0.530 279 E N 0.456 120.668 120.200 0.021 0.000 2.106 279 E HA -0.062 4.289 4.350 0.001 0.000 0.192 279 E C 0.827 177.351 176.600 -0.128 0.000 0.984 279 E CA 1.091 57.479 56.400 -0.021 0.000 0.806 279 E CB -0.019 29.712 29.700 0.051 0.000 0.750 279 E HN 0.737 nan 8.360 nan 0.000 0.458 280 H N -0.694 118.337 119.070 -0.066 0.000 2.508 280 H HA 0.213 4.770 4.556 0.001 0.000 0.344 280 H C -0.040 175.260 175.328 -0.047 0.000 1.192 280 H CA -0.034 55.989 56.048 -0.042 0.000 1.290 280 H CB 1.068 30.816 29.762 -0.023 0.000 1.571 280 H HN -0.049 nan 8.280 nan 0.000 0.555 281 D N -0.501 119.966 120.400 0.113 0.000 2.441 281 D HA 0.134 4.775 4.640 0.001 0.000 0.210 281 D C -0.794 175.618 176.300 0.188 0.000 1.102 281 D CA 0.084 54.133 54.000 0.081 0.000 0.840 281 D CB 0.902 41.729 40.800 0.045 0.000 0.990 281 D HN 0.251 nan 8.370 nan 0.000 0.505 282 F N 0.623 120.566 119.950 -0.013 0.000 2.623 282 F HA 0.558 5.085 4.527 0.001 0.000 0.323 282 F C -0.915 174.848 175.800 -0.062 0.000 1.158 282 F CA -0.790 57.175 58.000 -0.057 0.000 1.030 282 F CB 1.617 40.580 39.000 -0.063 0.000 1.280 282 F HN -0.114 nan 8.300 nan 0.000 0.474 283 G N 2.903 111.372 108.800 -0.553 0.000 2.448 283 G HA2 0.867 4.828 3.960 0.001 0.000 0.324 283 G HA3 0.867 4.828 3.960 0.001 0.000 0.324 283 G C -1.890 172.559 174.900 -0.752 0.000 1.203 283 G CA -0.501 44.313 45.100 -0.478 0.000 0.954 283 G HN 1.204 nan 8.290 nan 0.000 0.480 284 A N -0.361 122.158 122.820 -0.502 0.000 2.594 284 A HA 0.959 5.279 4.320 0.001 0.000 0.296 284 A C -0.598 176.646 177.584 -0.566 0.000 1.061 284 A CA 0.051 51.759 52.037 -0.548 0.000 0.689 284 A CB 1.344 20.055 19.000 -0.482 0.000 1.280 284 A HN 2.273 nan 8.150 nan 0.000 0.406 285 A N 0.509 122.929 122.820 -0.667 0.000 2.515 285 A HA 1.003 5.324 4.320 0.001 0.000 0.296 285 A C -1.294 175.816 177.584 -0.790 0.000 1.094 285 A CA -0.521 51.126 52.037 -0.650 0.000 0.718 285 A CB 0.910 19.718 19.000 -0.320 0.000 1.307 285 A HN 1.286 nan 8.150 nan 0.000 0.408 286 F N 0.092 120.031 119.950 -0.019 0.000 2.664 286 F HA 0.481 5.008 4.527 0.001 0.000 0.317 286 F C 0.047 175.836 175.800 -0.019 0.000 1.108 286 F CA -0.828 57.171 58.000 -0.002 0.000 0.957 286 F CB 1.274 40.286 39.000 0.020 0.000 1.365 286 F HN 0.685 nan 8.300 nan 0.000 0.475 287 D N 0.154 120.671 120.400 0.196 0.000 2.411 287 D HA 0.205 4.845 4.640 0.001 0.000 0.251 287 D C 1.355 177.718 176.300 0.104 0.000 1.201 287 D CA -0.106 53.942 54.000 0.079 0.000 0.996 287 D CB 0.735 41.559 40.800 0.039 0.000 1.101 287 D HN 0.654 nan 8.370 nan 0.000 0.504 288 G N 0.089 108.904 108.800 0.025 0.000 2.545 288 G HA2 -0.327 3.633 3.960 0.001 0.000 0.222 288 G HA3 -0.327 3.633 3.960 0.001 0.000 0.222 288 G C 0.909 175.926 174.900 0.196 0.000 1.126 288 G CA 1.534 46.699 45.100 0.109 0.000 0.754 288 G HN 0.802 nan 8.290 nan 0.000 0.583 289 D N -1.223 119.220 120.400 0.072 0.000 2.501 289 D HA 0.262 4.902 4.640 0.001 0.000 0.224 289 D C 1.515 177.773 176.300 -0.070 0.000 1.202 289 D CA 0.700 54.714 54.000 0.023 0.000 0.829 289 D CB -0.133 40.673 40.800 0.011 0.000 1.023 289 D HN 0.563 nan 8.370 nan 0.000 0.499 290 G N 2.353 111.122 108.800 -0.051 0.000 2.199 290 G HA2 -0.327 3.633 3.960 0.001 0.000 0.254 290 G HA3 -0.327 3.633 3.960 0.001 0.000 0.254 290 G C 0.629 175.480 174.900 -0.081 0.000 0.982 290 G CA 0.597 45.608 45.100 -0.147 0.000 0.632 290 G HN 0.525 nan 8.290 nan 0.000 0.529 291 D N -0.264 120.122 120.400 -0.024 0.000 2.339 291 D HA 0.192 4.833 4.640 0.001 0.000 0.217 291 D C 1.050 177.415 176.300 0.108 0.000 1.050 291 D CA 0.108 54.109 54.000 0.002 0.000 0.856 291 D CB 0.130 40.890 40.800 -0.066 0.000 0.922 291 D HN 0.514 nan 8.370 nan 0.000 0.518 292 R N 0.580 121.179 120.500 0.165 0.000 2.711 292 R HA 0.499 4.840 4.340 0.001 0.000 0.284 292 R C -0.469 176.018 176.300 0.313 0.000 0.968 292 R CA -0.763 55.477 56.100 0.233 0.000 0.924 292 R CB 1.392 31.803 30.300 0.184 0.000 1.162 292 R HN 0.132 nan 8.270 nan 0.000 0.465 293 N N 3.343 122.236 118.700 0.321 0.000 2.324 293 N HA 0.196 4.936 4.740 0.001 0.000 0.285 293 N C -1.352 174.300 175.510 0.236 0.000 1.076 293 N CA -0.735 52.465 53.050 0.251 0.000 0.864 293 N CB 2.221 40.895 38.487 0.311 0.000 1.632 293 N HN 0.452 nan 8.380 nan 0.000 0.478 294 M N 2.565 122.201 119.600 0.060 0.000 2.268 294 M HA 0.443 4.923 4.480 0.001 0.000 0.344 294 M C -1.464 174.759 176.300 -0.129 0.000 1.106 294 M CA -0.695 54.687 55.300 0.138 0.000 1.010 294 M CB 0.860 33.524 32.600 0.107 0.000 1.649 294 M HN 0.473 nan 8.290 nan 0.000 0.443 295 I N 6.933 127.379 120.570 -0.207 0.000 2.354 295 I HA 0.363 4.533 4.170 0.001 0.000 0.286 295 I C -0.725 175.114 176.117 -0.463 0.000 1.007 295 I CA -0.497 60.510 61.300 -0.487 0.000 1.167 295 I CB 1.022 38.650 38.000 -0.621 0.000 1.320 295 I HN 0.755 nan 8.210 nan 0.000 0.458 296 L N 5.478 126.397 121.223 -0.506 0.000 2.295 296 L HA 0.666 5.006 4.340 0.001 0.000 0.285 296 L C 0.872 177.541 176.870 -0.335 0.000 1.035 296 L CA -0.458 54.199 54.840 -0.304 0.000 0.806 296 L CB 1.878 43.807 42.059 -0.216 0.000 1.214 296 L HN 0.631 nan 8.230 nan 0.000 0.426 297 G N 1.674 110.442 108.800 -0.053 0.000 2.568 297 G HA2 0.281 4.241 3.960 0.001 0.000 0.293 297 G HA3 0.281 4.241 3.960 0.001 0.000 0.293 297 G C -0.657 174.277 174.900 0.058 0.000 1.347 297 G CA -0.635 44.495 45.100 0.050 0.000 1.039 297 G HN 0.553 nan 8.290 nan 0.000 0.523 298 K N -0.783 119.628 120.400 0.018 0.000 2.440 298 K HA 0.012 4.332 4.320 0.001 0.000 0.270 298 K C 0.415 177.043 176.600 0.047 0.000 0.980 298 K CA 0.025 56.291 56.287 -0.035 0.000 0.953 298 K CB 0.034 32.464 32.500 -0.117 0.000 0.925 298 K HN 0.692 nan 8.250 nan 0.000 0.497 299 H N 0.442 119.542 119.070 0.050 0.000 3.329 299 H HA -0.224 4.332 4.556 0.001 0.000 0.245 299 H C 0.848 176.219 175.328 0.072 0.000 1.099 299 H CA 1.516 57.597 56.048 0.055 0.000 1.186 299 H CB -1.286 28.506 29.762 0.050 0.000 1.243 299 H HN 1.006 nan 8.280 nan 0.000 0.319 300 G N -0.564 108.339 108.800 0.171 0.000 2.192 300 G HA2 -0.254 3.706 3.960 0.001 0.000 0.193 300 G HA3 -0.254 3.706 3.960 0.001 0.000 0.193 300 G C 0.071 175.093 174.900 0.204 0.000 0.999 300 G CA -0.062 45.119 45.100 0.135 0.000 0.659 300 G HN 0.338 nan 8.290 nan 0.000 0.503 301 F N 2.314 122.307 119.950 0.072 0.000 2.477 301 F HA 0.391 4.919 4.527 0.000 0.000 0.392 301 F C 0.590 176.455 175.800 0.109 0.000 1.028 301 F CA -0.801 57.252 58.000 0.090 0.000 1.069 301 F CB -0.208 38.820 39.000 0.047 0.000 0.970 301 F HN 0.152 nan 8.300 nan 0.000 0.540 302 F N 6.910 126.654 119.950 -0.344 0.000 2.438 302 F HA 0.454 4.981 4.527 0.001 0.000 0.356 302 F C -0.859 174.642 175.800 -0.498 0.000 1.099 302 F CA -0.773 57.032 58.000 -0.325 0.000 1.185 302 F CB 0.450 39.341 39.000 -0.182 0.000 1.115 302 F HN 0.062 nan 8.300 nan 0.000 0.526 303 V N 7.160 126.565 119.914 -0.848 0.000 2.384 303 V HA 0.173 4.293 4.120 0.001 0.000 0.287 303 V C 0.148 175.551 176.094 -1.152 0.000 1.020 303 V CA -1.161 60.675 62.300 -0.774 0.000 0.850 303 V CB 1.188 32.734 31.823 -0.461 0.000 0.987 303 V HN 0.755 nan 8.190 nan 0.000 0.436 304 N N 6.306 124.423 118.700 -0.972 0.000 2.447 304 N HA 0.076 4.817 4.740 0.001 0.000 0.263 304 N C -1.716 173.486 175.510 -0.513 0.000 1.226 304 N CA -1.082 51.485 53.050 -0.806 0.000 0.906 304 N CB 1.882 40.197 38.487 -0.286 0.000 1.060 304 N HN 0.304 nan 8.380 nan 0.000 0.468 305 P HA -0.098 nan 4.420 nan 0.000 0.221 305 P C 0.552 177.677 177.300 -0.292 0.000 1.141 305 P CA 1.198 64.058 63.100 -0.401 0.000 0.794 305 P CB 0.374 31.708 31.700 -0.610 0.000 0.764 306 S N -1.752 113.742 115.700 -0.343 0.000 2.468 306 S HA -0.022 4.449 4.470 0.001 0.000 0.226 306 S C 1.484 175.954 174.600 -0.218 0.000 1.051 306 S CA 0.562 58.563 58.200 -0.331 0.000 0.943 306 S CB -0.504 62.361 63.200 -0.559 0.000 0.810 306 S HN 0.142 nan 8.310 nan 0.000 0.509 307 D N 1.563 121.866 120.400 -0.162 0.000 2.103 307 D HA -0.033 4.607 4.640 0.001 0.000 0.199 307 D C 2.139 178.373 176.300 -0.110 0.000 0.978 307 D CA 1.064 55.029 54.000 -0.058 0.000 0.829 307 D CB -0.449 40.382 40.800 0.052 0.000 0.981 307 D HN 0.261 nan 8.370 nan 0.000 0.464 308 S N -0.157 115.506 115.700 -0.061 0.000 2.378 308 S HA -0.208 4.262 4.470 0.001 0.000 0.229 308 S C 2.153 176.737 174.600 -0.026 0.000 1.052 308 S CA 1.711 59.966 58.200 0.092 0.000 1.084 308 S CB -0.666 62.622 63.200 0.146 0.000 0.950 308 S HN 0.145 nan 8.310 nan 0.000 0.440 309 V N 1.455 121.318 119.914 -0.084 0.000 2.568 309 V HA -0.049 4.071 4.120 0.001 0.000 0.253 309 V C 2.523 178.447 176.094 -0.283 0.000 1.072 309 V CA 2.005 64.219 62.300 -0.142 0.000 1.084 309 V CB -0.956 30.785 31.823 -0.136 0.000 0.676 309 V HN 0.645 nan 8.190 nan 0.000 0.469 310 A N -1.339 121.310 122.820 -0.285 0.000 2.021 310 A HA -0.017 4.303 4.320 0.001 0.000 0.216 310 A C 2.254 179.569 177.584 -0.449 0.000 1.163 310 A CA 1.441 53.271 52.037 -0.345 0.000 0.676 310 A CB -0.273 18.610 19.000 -0.196 0.000 0.818 310 A HN 0.370 nan 8.150 nan 0.000 0.453 311 V N 0.220 119.819 119.914 -0.525 0.000 2.379 311 V HA -0.189 3.931 4.120 0.001 0.000 0.245 311 V C 2.369 178.166 176.094 -0.495 0.000 1.044 311 V CA 1.670 63.608 62.300 -0.603 0.000 1.036 311 V CB -0.470 31.034 31.823 -0.532 0.000 0.664 311 V HN 0.560 nan 8.190 nan 0.000 0.453 312 I N 0.424 120.711 120.570 -0.472 0.000 2.058 312 I HA -0.272 3.899 4.170 0.001 0.000 0.235 312 I C 2.744 178.644 176.117 -0.362 0.000 1.053 312 I CA 1.712 62.767 61.300 -0.410 0.000 1.313 312 I CB -0.782 37.065 38.000 -0.255 0.000 1.039 312 I HN 0.294 nan 8.210 nan 0.000 0.396 313 A N 0.734 123.298 122.820 -0.426 0.000 1.971 313 A HA -0.289 4.032 4.320 0.001 0.000 0.222 313 A C 2.412 179.803 177.584 -0.321 0.000 1.182 313 A CA 2.304 54.019 52.037 -0.536 0.000 0.649 313 A CB -0.920 17.445 19.000 -1.058 0.000 0.818 313 A HN 0.546 nan 8.150 nan 0.000 0.458 314 A N -0.852 121.810 122.820 -0.264 0.000 2.066 314 A HA -0.032 4.288 4.320 0.001 0.000 0.218 314 A C 1.346 178.910 177.584 -0.033 0.000 1.157 314 A CA 1.128 53.115 52.037 -0.084 0.000 0.670 314 A CB -0.210 18.817 19.000 0.045 0.000 0.804 314 A HN 0.585 nan 8.150 nan 0.000 0.453 315 N N -0.573 118.045 118.700 -0.135 0.000 2.401 315 N HA 0.118 4.858 4.740 0.001 0.000 0.264 315 N C 0.684 176.100 175.510 -0.157 0.000 1.238 315 N CA -0.119 52.867 53.050 -0.106 0.000 0.889 315 N CB 0.670 39.071 38.487 -0.144 0.000 1.196 315 N HN 0.357 nan 8.380 nan 0.000 0.511 316 I N 0.268 120.663 120.570 -0.292 0.000 2.248 316 I HA -0.193 3.977 4.170 0.001 0.000 0.248 316 I C 0.998 176.914 176.117 -0.334 0.000 1.107 316 I CA 1.571 62.571 61.300 -0.501 0.000 1.373 316 I CB -0.087 37.450 38.000 -0.771 0.000 1.055 316 I HN -0.022 nan 8.210 nan 0.000 0.418 317 F N 0.093 120.073 119.950 0.050 0.000 2.804 317 F HA 0.102 4.629 4.527 0.001 0.000 0.303 317 F C 2.427 178.290 175.800 0.105 0.000 1.154 317 F CA 0.585 58.650 58.000 0.108 0.000 1.401 317 F CB -1.187 37.855 39.000 0.071 0.000 1.106 317 F HN 0.221 nan 8.300 nan 0.000 0.568 318 S N -0.732 115.097 115.700 0.214 0.000 2.605 318 S HA 0.245 4.715 4.470 0.001 0.000 0.217 318 S C 0.347 175.059 174.600 0.187 0.000 0.958 318 S CA -0.121 58.174 58.200 0.158 0.000 0.919 318 S CB -0.776 62.466 63.200 0.071 0.000 0.780 318 S HN 0.174 nan 8.310 nan 0.000 0.507 319 I N 1.702 122.444 120.570 0.286 0.000 2.404 319 I HA 0.365 4.535 4.170 0.001 0.000 0.293 319 I C -1.895 174.371 176.117 0.249 0.000 0.992 319 I CA -2.837 58.638 61.300 0.292 0.000 1.149 319 I CB 2.296 40.559 38.000 0.438 0.000 1.315 319 I HN -0.085 nan 8.210 nan 0.000 0.446 320 P HA -0.256 nan 4.420 nan 0.000 0.215 320 P C 1.558 178.892 177.300 0.056 0.000 1.157 320 P CA 1.409 64.562 63.100 0.089 0.000 0.874 320 P CB 0.013 31.744 31.700 0.052 0.000 0.790 321 Y N -0.494 119.683 120.300 -0.205 0.000 2.139 321 Y HA -0.277 4.274 4.550 0.001 0.000 0.282 321 Y C 2.009 177.766 175.900 -0.238 0.000 1.179 321 Y CA 1.647 59.548 58.100 -0.331 0.000 1.161 321 Y CB -1.133 36.954 38.460 -0.621 0.000 0.970 321 Y HN -0.170 nan 8.280 nan 0.000 0.511 322 F N 0.353 120.367 119.950 0.106 0.000 2.146 322 F HA -0.183 4.345 4.527 0.001 0.000 0.298 322 F C 2.522 178.477 175.800 0.259 0.000 1.096 322 F CA 1.679 59.756 58.000 0.129 0.000 1.275 322 F CB -1.157 37.952 39.000 0.182 0.000 1.008 322 F HN 0.098 nan 8.300 nan 0.000 0.480 323 Q N -0.257 119.790 119.800 0.411 0.000 2.096 323 Q HA -0.254 4.086 4.340 0.001 0.000 0.204 323 Q C 2.165 178.195 176.000 0.050 0.000 0.982 323 Q CA 1.898 57.816 55.803 0.191 0.000 0.850 323 Q CB -0.313 28.499 28.738 0.122 0.000 0.901 323 Q HN 0.512 nan 8.270 nan 0.000 0.422 324 Q N -0.768 119.036 119.800 0.007 0.000 2.033 324 Q HA -0.066 4.274 4.340 0.001 0.000 0.196 324 Q C 2.042 177.991 176.000 -0.085 0.000 0.970 324 Q CA 1.456 57.229 55.803 -0.049 0.000 0.828 324 Q CB 0.038 28.740 28.738 -0.059 0.000 0.895 324 Q HN 0.182 nan 8.270 nan 0.000 0.440 325 T N -0.684 113.757 114.554 -0.188 0.000 3.055 325 T HA 0.188 4.539 4.350 0.001 0.000 0.265 325 T C 0.421 175.087 174.700 -0.056 0.000 1.111 325 T CA 0.763 62.734 62.100 -0.215 0.000 1.118 325 T CB -0.373 68.153 68.868 -0.570 0.000 0.909 325 T HN 0.582 nan 8.240 nan 0.000 0.501 326 G N 0.310 109.160 108.800 0.084 0.000 2.731 326 G HA2 -0.174 3.786 3.960 0.001 0.000 0.686 326 G HA3 -0.174 3.786 3.960 0.001 0.000 0.686 326 G C -0.562 174.473 174.900 0.226 0.000 1.395 326 G CA -0.526 44.691 45.100 0.195 0.000 0.870 326 G HN 0.427 nan 8.290 nan 0.000 0.591 327 V N 2.871 122.925 119.914 0.234 0.000 2.356 327 V HA 0.290 4.411 4.120 0.001 0.000 0.258 327 V C 1.675 177.750 176.094 -0.033 0.000 1.065 327 V CA -0.036 62.286 62.300 0.038 0.000 0.935 327 V CB 0.990 32.696 31.823 -0.195 0.000 1.061 327 V HN 0.763 nan 8.190 nan 0.000 0.484 328 R N 2.638 123.145 120.500 0.011 0.000 2.235 328 R HA 0.309 4.649 4.340 0.001 0.000 0.213 328 R C 0.953 177.250 176.300 -0.005 0.000 1.059 328 R CA 0.739 56.847 56.100 0.013 0.000 0.997 328 R CB 0.016 30.349 30.300 0.055 0.000 0.884 328 R HN 0.964 nan 8.270 nan 0.000 0.462 329 G N -2.075 106.672 108.800 -0.088 0.000 2.358 329 G HA2 0.294 4.254 3.960 0.001 0.000 0.303 329 G HA3 0.294 4.254 3.960 0.001 0.000 0.303 329 G C -1.603 173.293 174.900 -0.008 0.000 1.537 329 G CA -1.019 44.043 45.100 -0.063 0.000 0.928 329 G HN -0.073 nan 8.290 nan 0.000 0.656 330 F N 0.219 120.235 119.950 0.108 0.000 2.556 330 F HA 0.959 5.486 4.527 0.001 0.000 0.327 330 F C 0.734 176.631 175.800 0.162 0.000 1.059 330 F CA -0.558 57.478 58.000 0.061 0.000 0.953 330 F CB 2.176 41.158 39.000 -0.029 0.000 1.227 330 F HN 1.098 nan 8.300 nan 0.000 0.478 331 A N 1.890 124.898 122.820 0.314 0.000 2.586 331 A HA 0.941 5.261 4.320 0.001 0.000 0.290 331 A C -1.340 176.366 177.584 0.203 0.000 1.086 331 A CA -0.947 51.275 52.037 0.308 0.000 0.665 331 A CB 2.339 21.605 19.000 0.442 0.000 1.279 331 A HN 0.894 nan 8.150 nan 0.000 0.423 332 R N -0.611 120.061 120.500 0.286 0.000 2.690 332 R HA 0.663 5.003 4.340 0.001 0.000 0.269 332 R C -0.583 175.788 176.300 0.118 0.000 1.037 332 R CA -0.142 56.086 56.100 0.213 0.000 0.877 332 R CB 1.016 31.327 30.300 0.019 0.000 1.255 332 R HN 1.196 nan 8.270 nan 0.000 0.467 333 S N 1.651 117.392 115.700 0.069 0.000 2.576 333 S HA 0.043 4.514 4.470 0.001 0.000 0.276 333 S C 1.281 175.734 174.600 -0.245 0.000 1.339 333 S CA -0.796 57.320 58.200 -0.139 0.000 1.039 333 S CB 1.107 64.260 63.200 -0.078 0.000 0.902 333 S HN 0.778 nan 8.310 nan 0.000 0.516 334 M N 2.313 121.673 119.600 -0.399 0.000 2.108 334 M HA -0.065 4.415 4.480 0.001 0.000 0.257 334 M C -1.069 174.981 176.300 -0.417 0.000 1.071 334 M CA 1.737 56.712 55.300 -0.541 0.000 1.093 334 M CB -2.183 29.815 32.600 -1.003 0.000 1.345 334 M HN 0.577 nan 8.290 nan 0.000 0.403 335 P HA 0.040 nan 4.420 nan 0.000 0.245 335 P C -0.054 177.034 177.300 -0.353 0.000 1.212 335 P CA 0.420 63.160 63.100 -0.601 0.000 0.774 335 P CB -0.499 30.399 31.700 -1.335 0.000 0.999 336 T N 0.401 114.783 114.554 -0.286 0.000 2.910 336 T HA 0.163 4.513 4.350 0.001 0.000 0.293 336 T C 0.545 175.071 174.700 -0.290 0.000 1.015 336 T CA -0.013 61.889 62.100 -0.330 0.000 1.094 336 T CB 0.602 69.323 68.868 -0.245 0.000 0.968 336 T HN -0.011 nan 8.240 nan 0.000 0.521 337 S N 1.119 116.502 115.700 -0.529 0.000 2.549 337 S HA 0.082 4.552 4.470 0.001 0.000 0.278 337 S C 1.572 176.110 174.600 -0.103 0.000 1.344 337 S CA 0.047 58.091 58.200 -0.259 0.000 1.025 337 S CB 0.045 63.029 63.200 -0.361 0.000 0.851 337 S HN 0.895 nan 8.310 nan 0.000 0.530 338 G N 1.764 110.568 108.800 0.008 0.000 3.088 338 G HA2 0.349 4.310 3.960 0.001 0.000 0.212 338 G HA3 0.349 4.310 3.960 0.001 0.000 0.212 338 G C 1.337 176.245 174.900 0.014 0.000 1.173 338 G CA 0.464 45.568 45.100 0.007 0.000 0.779 338 G HN 0.952 nan 8.290 nan 0.000 0.540 339 A N 0.937 123.765 122.820 0.014 0.000 1.892 339 A HA -0.087 4.234 4.320 0.001 0.000 0.218 339 A C 2.261 179.810 177.584 -0.059 0.000 1.188 339 A CA 1.608 53.667 52.037 0.036 0.000 0.631 339 A CB -0.430 18.596 19.000 0.043 0.000 0.822 339 A HN 0.443 nan 8.150 nan 0.000 0.447 340 L N 0.725 121.878 121.223 -0.118 0.000 2.043 340 L HA -0.226 4.114 4.340 0.001 0.000 0.212 340 L C 1.624 178.411 176.870 -0.139 0.000 1.075 340 L CA 2.778 57.504 54.840 -0.190 0.000 0.752 340 L CB -1.130 40.818 42.059 -0.186 0.000 0.891 340 L HN 0.521 nan 8.230 nan 0.000 0.432 341 D N -1.189 119.169 120.400 -0.069 0.000 2.182 341 D HA -0.173 4.467 4.640 0.001 0.000 0.201 341 D C 2.061 178.352 176.300 -0.015 0.000 0.986 341 D CA 0.891 54.875 54.000 -0.027 0.000 0.847 341 D CB -0.109 40.675 40.800 -0.025 0.000 0.942 341 D HN 0.247 nan 8.370 nan 0.000 0.467 342 R N 0.403 120.887 120.500 -0.026 0.000 2.115 342 R HA -0.003 4.337 4.340 0.001 0.000 0.230 342 R C 2.096 178.384 176.300 -0.019 0.000 1.111 342 R CA 0.375 56.503 56.100 0.047 0.000 0.976 342 R CB -0.702 29.680 30.300 0.136 0.000 0.870 342 R HN 0.251 nan 8.270 nan 0.000 0.445 343 V N 0.864 120.607 119.914 -0.285 0.000 2.341 343 V HA -0.053 4.068 4.120 0.001 0.000 0.240 343 V C 2.479 178.602 176.094 0.050 0.000 1.035 343 V CA 1.462 63.583 62.300 -0.299 0.000 1.033 343 V CB -0.880 30.656 31.823 -0.477 0.000 0.678 343 V HN 0.260 nan 8.190 nan 0.000 0.464 344 A N 0.763 123.652 122.820 0.116 0.000 1.985 344 A HA -0.369 3.952 4.320 0.001 0.000 0.223 344 A C 1.907 179.556 177.584 0.108 0.000 1.189 344 A CA 2.894 55.066 52.037 0.225 0.000 0.658 344 A CB -1.013 18.108 19.000 0.201 0.000 0.820 344 A HN 0.785 nan 8.150 nan 0.000 0.464 345 N N -0.424 118.324 118.700 0.081 0.000 2.251 345 N HA 0.141 4.881 4.740 0.001 0.000 0.181 345 N C 2.013 177.579 175.510 0.094 0.000 1.019 345 N CA 0.810 53.898 53.050 0.064 0.000 0.862 345 N CB -0.267 38.247 38.487 0.046 0.000 0.992 345 N HN 0.468 nan 8.380 nan 0.000 0.429 346 A N 0.376 123.289 122.820 0.156 0.000 1.933 346 A HA -0.112 4.208 4.320 0.001 0.000 0.218 346 A C 2.015 179.697 177.584 0.164 0.000 1.175 346 A CA 1.545 53.695 52.037 0.188 0.000 0.628 346 A CB -0.622 18.590 19.000 0.354 0.000 0.814 346 A HN 0.244 nan 8.150 nan 0.000 0.444 347 T N -0.430 114.230 114.554 0.177 0.000 3.260 347 T HA 0.215 4.565 4.350 0.001 0.000 0.254 347 T C 0.061 174.814 174.700 0.087 0.000 0.951 347 T CA -0.261 61.928 62.100 0.148 0.000 0.918 347 T CB -1.038 67.945 68.868 0.191 0.000 1.098 347 T HN 0.466 nan 8.240 nan 0.000 0.563 348 K N 1.290 121.728 120.400 0.062 0.000 3.273 348 K HA -0.157 4.164 4.320 0.001 0.000 0.262 348 K C -0.104 176.481 176.600 -0.025 0.000 0.850 348 K CA 0.309 56.609 56.287 0.021 0.000 0.626 348 K CB -0.871 31.641 32.500 0.019 0.000 1.488 348 K HN 0.436 nan 8.250 nan 0.000 0.469 349 I N 0.813 121.351 120.570 -0.053 0.000 2.392 349 I HA 0.162 4.332 4.170 0.001 0.000 0.295 349 I C 0.883 176.895 176.117 -0.175 0.000 0.985 349 I CA -0.748 60.443 61.300 -0.182 0.000 1.221 349 I CB 1.284 39.002 38.000 -0.470 0.000 1.366 349 I HN 0.143 nan 8.210 nan 0.000 0.467 350 A N 7.577 130.274 122.820 -0.206 0.000 2.540 350 A HA 0.121 4.442 4.320 0.001 0.000 0.264 350 A C -0.109 177.250 177.584 -0.375 0.000 1.080 350 A CA 0.202 52.071 52.037 -0.280 0.000 0.776 350 A CB -0.215 18.619 19.000 -0.277 0.000 1.011 350 A HN 0.613 nan 8.150 nan 0.000 0.514 351 L N 4.087 125.117 121.223 -0.322 0.000 2.325 351 L HA 0.645 4.986 4.340 0.001 0.000 0.279 351 L C -1.389 175.252 176.870 -0.381 0.000 1.054 351 L CA -0.307 54.416 54.840 -0.194 0.000 0.804 351 L CB 1.060 43.109 42.059 -0.017 0.000 1.200 351 L HN 0.661 nan 8.230 nan 0.000 0.436 352 Y N 2.251 122.627 120.300 0.126 0.000 2.350 352 Y HA 0.377 4.927 4.550 0.001 0.000 0.338 352 Y C -0.032 175.928 175.900 0.099 0.000 0.961 352 Y CA -0.727 57.455 58.100 0.137 0.000 1.100 352 Y CB 1.544 40.103 38.460 0.165 0.000 1.179 352 Y HN 0.576 nan 8.280 nan 0.000 0.454 353 E N 2.537 122.877 120.200 0.233 0.000 2.134 353 E HA 0.525 4.876 4.350 0.001 0.000 0.278 353 E C -0.762 175.817 176.600 -0.034 0.000 0.959 353 E CA -0.427 56.009 56.400 0.060 0.000 0.783 353 E CB 0.809 30.536 29.700 0.045 0.000 1.095 353 E HN 0.694 nan 8.360 nan 0.000 0.399 354 T N 1.600 115.963 114.554 -0.318 0.000 2.907 354 T HA 0.617 4.968 4.350 0.001 0.000 0.290 354 T C -2.620 171.665 174.700 -0.692 0.000 1.066 354 T CA -2.411 59.191 62.100 -0.829 0.000 1.012 354 T CB 1.589 69.903 68.868 -0.924 0.000 1.184 354 T HN 0.170 nan 8.240 nan 0.000 0.522 355 P HA 0.231 nan 4.420 nan 0.000 0.273 355 P C 0.285 177.358 177.300 -0.379 0.000 1.250 355 P CA -0.296 62.481 63.100 -0.538 0.000 0.793 355 P CB 0.111 31.352 31.700 -0.765 0.000 1.011 356 T N -1.923 112.557 114.554 -0.124 0.000 2.900 356 T HA 0.473 4.823 4.350 0.001 0.000 0.307 356 T C 0.377 175.148 174.700 0.119 0.000 1.065 356 T CA 0.250 62.338 62.100 -0.020 0.000 1.105 356 T CB -0.440 68.458 68.868 0.049 0.000 0.979 356 T HN 0.857 nan 8.240 nan 0.000 0.544 357 G N 1.820 110.685 108.800 0.109 0.000 3.225 357 G HA2 -0.148 3.812 3.960 0.001 0.000 0.686 357 G HA3 -0.148 3.812 3.960 0.001 0.000 0.686 357 G C -0.071 174.884 174.900 0.092 0.000 1.105 357 G CA -0.128 45.071 45.100 0.164 0.000 0.831 357 G HN 0.936 nan 8.290 nan 0.000 0.578 358 W N 1.980 123.343 121.300 0.106 0.000 2.276 358 W HA -0.252 4.408 4.660 0.001 0.000 0.307 358 W C 2.529 179.059 176.519 0.019 0.000 1.240 358 W CA 2.383 59.843 57.345 0.191 0.000 1.249 358 W CB -0.012 29.549 29.460 0.169 0.000 1.140 358 W HN 0.795 nan 8.180 nan 0.000 0.519 359 K N -1.307 119.052 120.400 -0.068 0.000 2.127 359 K HA -0.222 4.098 4.320 0.001 0.000 0.208 359 K C 1.560 177.891 176.600 -0.448 0.000 1.047 359 K CA 2.038 58.168 56.287 -0.261 0.000 0.927 359 K CB -1.010 31.236 32.500 -0.423 0.000 0.716 359 K HN 0.137 nan 8.250 nan 0.000 0.450 360 F N -0.439 119.338 119.950 -0.289 0.000 2.234 360 F HA -0.044 4.483 4.527 0.001 0.000 0.299 360 F C 1.785 177.369 175.800 -0.361 0.000 1.087 360 F CA 0.725 58.534 58.000 -0.319 0.000 1.340 360 F CB -0.406 38.297 39.000 -0.495 0.000 1.031 360 F HN -0.113 nan 8.300 nan 0.000 0.500 361 F N 0.422 120.141 119.950 -0.385 0.000 2.128 361 F HA 0.037 4.564 4.527 0.001 0.000 0.295 361 F C 2.628 177.999 175.800 -0.714 0.000 1.100 361 F CA 0.875 58.467 58.000 -0.681 0.000 1.260 361 F CB -1.527 36.697 39.000 -1.293 0.000 1.009 361 F HN -0.037 nan 8.300 nan 0.000 0.476 362 G N 0.468 108.884 108.800 -0.639 0.000 2.514 362 G HA2 -0.327 3.634 3.960 0.001 0.000 0.217 362 G HA3 -0.327 3.634 3.960 0.001 0.000 0.217 362 G C 1.657 176.515 174.900 -0.070 0.000 1.198 362 G CA 1.280 46.269 45.100 -0.185 0.000 0.780 362 G HN 0.264 nan 8.290 nan 0.000 0.565 363 N N 0.568 119.224 118.700 -0.074 0.000 2.137 363 N HA -0.080 4.660 4.740 0.001 0.000 0.190 363 N C 2.186 177.670 175.510 -0.044 0.000 1.017 363 N CA 0.793 53.822 53.050 -0.036 0.000 0.859 363 N CB -0.477 38.000 38.487 -0.018 0.000 1.002 363 N HN 0.329 nan 8.380 nan 0.000 0.428 364 L N -0.073 121.106 121.223 -0.074 0.000 2.217 364 L HA 0.004 4.345 4.340 0.001 0.000 0.211 364 L C 2.189 179.010 176.870 -0.081 0.000 1.107 364 L CA 0.580 55.348 54.840 -0.121 0.000 0.783 364 L CB -0.152 41.790 42.059 -0.195 0.000 0.919 364 L HN 0.181 nan 8.230 nan 0.000 0.442 365 M N -0.709 118.863 119.600 -0.046 0.000 2.134 365 M HA -0.166 4.314 4.480 0.001 0.000 0.262 365 M C 1.753 178.068 176.300 0.024 0.000 1.076 365 M CA 1.523 56.829 55.300 0.009 0.000 1.143 365 M CB -0.307 32.322 32.600 0.048 0.000 1.346 365 M HN 0.101 nan 8.290 nan 0.000 0.421 366 D N 0.879 121.293 120.400 0.023 0.000 2.158 366 D HA -0.129 4.512 4.640 0.001 0.000 0.197 366 D C 1.547 177.855 176.300 0.014 0.000 0.995 366 D CA 1.541 55.556 54.000 0.024 0.000 0.846 366 D CB -0.226 40.587 40.800 0.022 0.000 0.941 366 D HN 0.346 nan 8.370 nan 0.000 0.456 367 A N -0.160 122.660 122.820 0.000 0.000 2.276 367 A HA 0.178 4.499 4.320 0.001 0.000 0.212 367 A C 0.560 178.147 177.584 0.005 0.000 1.230 367 A CA 0.246 52.283 52.037 -0.001 0.000 0.844 367 A CB -0.152 18.840 19.000 -0.013 0.000 0.860 367 A HN -0.005 nan 8.150 nan 0.000 0.486 368 S N -0.187 115.521 115.700 0.013 0.000 3.608 368 S HA -0.114 4.357 4.470 0.001 0.000 0.382 368 S C 0.637 175.257 174.600 0.033 0.000 0.945 368 S CA 1.225 59.441 58.200 0.027 0.000 1.256 368 S CB -0.857 62.359 63.200 0.028 0.000 0.913 368 S HN 0.744 nan 8.310 nan 0.000 0.518 369 K N -0.816 119.599 120.400 0.024 0.000 2.554 369 K HA 0.338 4.658 4.320 0.001 0.000 0.211 369 K C -0.268 176.396 176.600 0.106 0.000 1.226 369 K CA -0.182 56.142 56.287 0.063 0.000 1.025 369 K CB 0.699 33.200 32.500 0.002 0.000 1.021 369 K HN 0.421 nan 8.250 nan 0.000 0.600 370 L N 0.459 121.718 121.223 0.061 0.000 2.439 370 L HA 0.386 4.726 4.340 0.001 0.000 0.270 370 L C 0.351 177.291 176.870 0.115 0.000 0.972 370 L CA 0.132 55.030 54.840 0.096 0.000 0.836 370 L CB 2.270 44.345 42.059 0.028 0.000 1.255 370 L HN -0.110 nan 8.230 nan 0.000 0.404 371 S N 3.700 119.494 115.700 0.156 0.000 2.527 371 S HA 0.349 4.819 4.470 0.001 0.000 0.225 371 S C -0.145 174.611 174.600 0.261 0.000 1.046 371 S CA 0.217 58.562 58.200 0.241 0.000 0.929 371 S CB 0.119 63.470 63.200 0.253 0.000 0.851 371 S HN 0.477 nan 8.310 nan 0.000 0.565 372 L N 2.315 123.690 121.223 0.254 0.000 2.346 372 L HA 0.661 5.002 4.340 0.001 0.000 0.276 372 L C -1.117 175.771 176.870 0.030 0.000 1.006 372 L CA -0.695 54.239 54.840 0.158 0.000 0.817 372 L CB 1.356 43.488 42.059 0.122 0.000 1.272 372 L HN 0.520 nan 8.230 nan 0.000 0.421 373 C N 2.118 121.332 119.300 -0.143 0.000 2.608 373 C HA 0.991 5.452 4.460 0.001 0.000 0.325 373 C C 0.054 174.855 174.990 -0.315 0.000 1.147 373 C CA -0.221 58.580 59.018 -0.362 0.000 1.359 373 C CB 0.592 27.736 27.740 -0.993 0.000 1.912 373 C HN 1.100 nan 8.230 nan 0.000 0.466 374 G N 1.896 110.591 108.800 -0.175 0.000 2.498 374 G HA2 0.756 4.717 3.960 0.001 0.000 0.312 374 G HA3 0.756 4.717 3.960 0.001 0.000 0.312 374 G C -1.513 173.403 174.900 0.027 0.000 1.230 374 G CA -0.436 44.623 45.100 -0.067 0.000 0.968 374 G HN 0.900 nan 8.290 nan 0.000 0.481 375 E N -0.162 120.065 120.200 0.045 0.000 2.272 375 E HA 0.116 4.466 4.350 0.001 0.000 0.269 375 E C 0.364 176.931 176.600 -0.055 0.000 0.877 375 E CA -0.735 55.698 56.400 0.056 0.000 0.755 375 E CB 2.566 32.369 29.700 0.171 0.000 1.192 375 E HN 0.622 nan 8.360 nan 0.000 0.422 376 E N 1.679 121.805 120.200 -0.124 0.000 2.209 376 E HA -0.144 4.206 4.350 0.001 0.000 0.196 376 E C 0.378 176.901 176.600 -0.129 0.000 0.993 376 E CA 1.205 57.483 56.400 -0.204 0.000 0.819 376 E CB -0.015 29.592 29.700 -0.154 0.000 0.745 376 E HN 0.334 nan 8.360 nan 0.000 0.477 377 S N 0.806 116.537 115.700 0.051 0.000 3.456 377 S HA 0.222 4.692 4.470 0.001 0.000 0.229 377 S C -0.229 174.588 174.600 0.361 0.000 1.416 377 S CA -0.361 57.977 58.200 0.230 0.000 1.197 377 S CB -1.511 61.847 63.200 0.263 0.000 1.201 377 S HN 0.223 nan 8.310 nan 0.000 0.479 378 F N -0.084 119.931 119.950 0.108 0.000 2.773 378 F HA -0.118 4.410 4.527 0.001 0.000 0.251 378 F C 0.953 176.824 175.800 0.117 0.000 1.020 378 F CA 0.747 58.806 58.000 0.099 0.000 0.924 378 F CB -1.659 37.396 39.000 0.092 0.000 0.919 378 F HN 0.607 nan 8.300 nan 0.000 0.846 379 G N 0.201 109.118 108.800 0.195 0.000 2.682 379 G HA2 0.772 4.732 3.960 0.001 0.000 0.300 379 G HA3 0.772 4.732 3.960 0.001 0.000 0.300 379 G C -1.031 173.970 174.900 0.167 0.000 1.391 379 G CA -0.497 44.727 45.100 0.207 0.000 0.990 379 G HN 0.214 nan 8.290 nan 0.000 0.501 380 T N -0.542 114.135 114.554 0.205 0.000 2.932 380 T HA 0.878 5.228 4.350 0.001 0.000 0.318 380 T C 0.031 174.851 174.700 0.199 0.000 1.265 380 T CA -0.105 62.121 62.100 0.210 0.000 1.036 380 T CB 2.034 71.090 68.868 0.312 0.000 1.209 380 T HN 1.572 nan 8.240 nan 0.000 0.484 381 G N 0.592 109.441 108.800 0.083 0.000 2.490 381 G HA2 0.775 4.736 3.960 0.001 0.000 0.308 381 G HA3 0.775 4.736 3.960 0.001 0.000 0.308 381 G C -1.321 173.383 174.900 -0.327 0.000 1.286 381 G CA -0.096 44.917 45.100 -0.145 0.000 0.825 381 G HN 1.416 nan 8.290 nan 0.000 0.479 382 S N -1.622 113.837 115.700 -0.401 0.000 2.661 382 S HA 0.466 4.937 4.470 0.001 0.000 0.268 382 S C -0.370 174.170 174.600 -0.100 0.000 1.162 382 S CA 0.307 58.396 58.200 -0.184 0.000 0.817 382 S CB 1.596 64.698 63.200 -0.164 0.000 1.141 382 S HN 0.968 nan 8.310 nan 0.000 0.477 383 D N 0.393 120.852 120.400 0.098 0.000 2.358 383 D HA -0.116 4.524 4.640 0.001 0.000 0.241 383 D C 1.398 177.726 176.300 0.048 0.000 1.094 383 D CA 0.583 54.644 54.000 0.102 0.000 0.907 383 D CB -0.899 40.008 40.800 0.178 0.000 0.893 383 D HN 0.817 nan 8.370 nan 0.000 0.528 384 H N 0.730 119.674 119.070 -0.209 0.000 2.389 384 H HA -0.024 4.532 4.556 0.001 0.000 0.299 384 H C 1.212 176.431 175.328 -0.182 0.000 1.081 384 H CA 0.763 56.611 56.048 -0.334 0.000 1.345 384 H CB -0.074 29.300 29.762 -0.646 0.000 1.393 384 H HN 0.346 nan 8.280 nan 0.000 0.520 385 I N -2.047 118.188 120.570 -0.559 0.000 3.690 385 I HA 0.518 4.688 4.170 0.001 0.000 0.280 385 I C 0.208 176.167 176.117 -0.262 0.000 1.145 385 I CA -1.477 59.601 61.300 -0.370 0.000 1.144 385 I CB 1.709 39.446 38.000 -0.438 0.000 1.378 385 I HN -0.192 nan 8.210 nan 0.000 0.478 386 R N 0.193 120.517 120.500 -0.294 0.000 2.668 386 R HA 0.419 4.760 4.340 0.001 0.000 0.435 386 R C -1.045 174.739 176.300 -0.860 0.000 1.059 386 R CA 0.061 56.012 56.100 -0.249 0.000 1.073 386 R CB 0.330 30.613 30.300 -0.028 0.000 1.401 386 R HN 0.571 nan 8.270 nan 0.000 0.590 387 E N -0.286 119.214 120.200 -1.166 0.000 2.430 387 E HA 0.290 4.641 4.350 0.001 0.000 0.279 387 E C -0.934 175.024 176.600 -1.070 0.000 1.003 387 E CA -0.836 54.827 56.400 -1.229 0.000 0.801 387 E CB 1.769 31.108 29.700 -0.602 0.000 1.313 387 E HN 0.004 nan 8.360 nan 0.000 0.459 388 K N 0.469 120.402 120.400 -0.777 0.000 2.102 388 K HA 0.384 4.704 4.320 0.001 0.000 0.244 388 K C -0.486 176.025 176.600 -0.147 0.000 1.021 388 K CA -0.451 55.638 56.287 -0.330 0.000 0.913 388 K CB 0.474 32.917 32.500 -0.093 0.000 1.062 388 K HN 0.204 nan 8.250 nan 0.000 0.485 389 D N -0.456 119.975 120.400 0.052 0.000 2.602 389 D HA 0.196 4.837 4.640 0.001 0.000 0.245 389 D C 0.547 177.039 176.300 0.319 0.000 1.325 389 D CA -0.338 53.778 54.000 0.192 0.000 0.952 389 D CB 1.704 42.711 40.800 0.345 0.000 1.317 389 D HN 0.603 nan 8.370 nan 0.000 0.577 390 G N 2.503 111.418 108.800 0.191 0.000 2.511 390 G HA2 -0.243 3.717 3.960 0.001 0.000 0.216 390 G HA3 -0.243 3.717 3.960 0.001 0.000 0.216 390 G C 1.329 176.448 174.900 0.366 0.000 1.218 390 G CA 0.504 45.783 45.100 0.300 0.000 0.788 390 G HN 0.450 nan 8.290 nan 0.000 0.560 391 L N -0.484 120.744 121.223 0.009 0.000 2.046 391 L HA 0.047 4.388 4.340 0.001 0.000 0.208 391 L C 2.445 179.488 176.870 0.287 0.000 1.077 391 L CA 1.557 56.468 54.840 0.119 0.000 0.747 391 L CB -0.864 41.234 42.059 0.067 0.000 0.896 391 L HN 0.523 nan 8.230 nan 0.000 0.432 392 W N 0.016 121.463 121.300 0.246 0.000 2.338 392 W HA -0.266 4.394 4.660 0.001 0.000 0.304 392 W C 2.328 179.043 176.519 0.327 0.000 1.212 392 W CA 2.429 59.960 57.345 0.310 0.000 1.264 392 W CB -0.206 29.451 29.460 0.329 0.000 1.142 392 W HN 0.214 nan 8.180 nan 0.000 0.512 393 A N -0.473 122.702 122.820 0.591 0.000 1.972 393 A HA -0.144 4.177 4.320 0.001 0.000 0.219 393 A C 1.940 179.714 177.584 0.318 0.000 1.169 393 A CA 2.003 54.302 52.037 0.438 0.000 0.635 393 A CB -1.040 18.268 19.000 0.514 0.000 0.810 393 A HN 0.207 nan 8.150 nan 0.000 0.446 394 V N -0.116 119.989 119.914 0.319 0.000 2.379 394 V HA -0.190 3.930 4.120 0.001 0.000 0.245 394 V C 2.497 178.607 176.094 0.028 0.000 1.044 394 V CA 1.697 64.194 62.300 0.328 0.000 1.036 394 V CB -0.629 31.447 31.823 0.422 0.000 0.664 394 V HN 0.563 nan 8.190 nan 0.000 0.453 395 L N 0.096 121.150 121.223 -0.282 0.000 2.093 395 L HA -0.093 4.248 4.340 0.001 0.000 0.208 395 L C 2.693 179.094 176.870 -0.781 0.000 1.085 395 L CA 1.399 55.781 54.840 -0.763 0.000 0.755 395 L CB -0.715 40.420 42.059 -1.539 0.000 0.904 395 L HN 0.355 nan 8.230 nan 0.000 0.435 396 A N -0.913 121.558 122.820 -0.581 0.000 1.969 396 A HA -0.230 4.091 4.320 0.001 0.000 0.218 396 A C 1.944 179.402 177.584 -0.210 0.000 1.169 396 A CA 1.155 53.024 52.037 -0.280 0.000 0.635 396 A CB -0.794 17.891 19.000 -0.525 0.000 0.810 396 A HN 0.510 nan 8.150 nan 0.000 0.445 397 W N 0.116 121.304 121.300 -0.187 0.000 2.379 397 W HA -0.066 4.594 4.660 0.000 0.000 0.307 397 W C 2.052 178.422 176.519 -0.249 0.000 1.200 397 W CA 1.402 58.675 57.345 -0.122 0.000 1.297 397 W CB -0.241 29.256 29.460 0.062 0.000 1.140 397 W HN 0.235 nan 8.180 nan 0.000 0.507 398 L N -0.406 120.724 121.223 -0.154 0.000 2.083 398 L HA -0.258 4.082 4.340 0.001 0.000 0.209 398 L C 2.376 179.136 176.870 -0.182 0.000 1.083 398 L CA 1.403 56.067 54.840 -0.293 0.000 0.752 398 L CB -1.090 40.729 42.059 -0.400 0.000 0.899 398 L HN -0.139 nan 8.230 nan 0.000 0.433 399 S N 0.184 115.786 115.700 -0.163 0.000 2.368 399 S HA -0.117 4.353 4.470 0.001 0.000 0.225 399 S C 1.965 176.528 174.600 -0.062 0.000 1.030 399 S CA 1.261 59.421 58.200 -0.068 0.000 0.999 399 S CB -0.287 62.935 63.200 0.036 0.000 0.844 399 S HN 0.307 nan 8.310 nan 0.000 0.459 400 I N 1.127 121.629 120.570 -0.112 0.000 2.286 400 I HA -0.117 4.053 4.170 0.001 0.000 0.245 400 I C 2.059 178.133 176.117 -0.071 0.000 1.104 400 I CA 0.943 62.161 61.300 -0.136 0.000 1.397 400 I CB -0.311 37.487 38.000 -0.336 0.000 1.072 400 I HN 0.195 nan 8.210 nan 0.000 0.417 401 L N 0.388 121.595 121.223 -0.027 0.000 2.093 401 L HA -0.180 4.161 4.340 0.001 0.000 0.208 401 L C 2.792 179.642 176.870 -0.033 0.000 1.085 401 L CA 1.247 56.087 54.840 -0.000 0.000 0.755 401 L CB -0.633 41.428 42.059 0.003 0.000 0.904 401 L HN 0.236 nan 8.230 nan 0.000 0.435 402 A N -0.352 122.434 122.820 -0.056 0.000 1.845 402 A HA -0.209 4.112 4.320 0.001 0.000 0.215 402 A C 2.368 179.937 177.584 -0.025 0.000 1.195 402 A CA 2.394 54.403 52.037 -0.048 0.000 0.616 402 A CB -1.074 17.893 19.000 -0.055 0.000 0.832 402 A HN 0.353 nan 8.150 nan 0.000 0.443 403 T N -0.026 114.517 114.554 -0.018 0.000 2.635 403 T HA -0.153 4.198 4.350 0.001 0.000 0.267 403 T C 2.043 176.740 174.700 -0.006 0.000 1.040 403 T CA 1.546 63.644 62.100 -0.003 0.000 1.156 403 T CB -0.256 68.615 68.868 0.005 0.000 0.863 403 T HN 0.330 nan 8.240 nan 0.000 0.430 404 R N 0.700 121.192 120.500 -0.013 0.000 2.189 404 R HA 0.102 4.442 4.340 0.001 0.000 0.218 404 R C 1.123 177.419 176.300 -0.007 0.000 1.074 404 R CA 0.487 56.581 56.100 -0.010 0.000 0.991 404 R CB -0.255 30.036 30.300 -0.016 0.000 0.883 404 R HN 0.339 nan 8.270 nan 0.000 0.457 405 K N -0.247 120.148 120.400 -0.009 0.000 3.349 405 K HA -0.213 4.107 4.320 0.001 0.000 0.310 405 K C -0.310 176.286 176.600 -0.008 0.000 1.267 405 K CA 1.104 57.385 56.287 -0.010 0.000 0.920 405 K CB -1.174 31.319 32.500 -0.011 0.000 1.240 405 K HN 0.347 nan 8.250 nan 0.000 0.453 406 Q N -0.105 119.694 119.800 -0.001 0.000 2.226 406 Q HA 0.469 4.810 4.340 0.001 0.000 0.256 406 Q C 0.146 176.153 176.000 0.013 0.000 0.962 406 Q CA -0.317 55.485 55.803 -0.000 0.000 0.887 406 Q CB 1.776 30.513 28.738 -0.002 0.000 1.282 406 Q HN 0.279 nan 8.270 nan 0.000 0.449 407 S N -0.021 115.678 115.700 -0.003 0.000 2.589 407 S HA 0.071 4.541 4.470 0.001 0.000 0.265 407 S C 1.205 175.819 174.600 0.023 0.000 1.342 407 S CA -0.674 57.527 58.200 0.001 0.000 1.005 407 S CB 0.662 63.841 63.200 -0.035 0.000 0.909 407 S HN 0.462 nan 8.310 nan 0.000 0.555 408 V N 1.541 121.485 119.914 0.051 0.000 2.282 408 V HA -0.203 3.918 4.120 0.001 0.000 0.249 408 V C 2.810 178.882 176.094 -0.036 0.000 1.057 408 V CA 2.507 64.862 62.300 0.093 0.000 1.032 408 V CB -1.304 30.542 31.823 0.039 0.000 0.645 408 V HN 1.034 nan 8.190 nan 0.000 0.447 409 E N -0.026 119.994 120.200 -0.301 0.000 2.070 409 E HA -0.303 4.047 4.350 0.001 0.000 0.197 409 E C 1.828 178.258 176.600 -0.282 0.000 1.004 409 E CA 1.957 57.998 56.400 -0.599 0.000 0.805 409 E CB -0.122 29.154 29.700 -0.708 0.000 0.744 409 E HN 0.700 nan 8.360 nan 0.000 0.451 410 D N -0.123 120.182 120.400 -0.158 0.000 2.219 410 D HA -0.108 4.533 4.640 0.001 0.000 0.205 410 D C 1.785 178.042 176.300 -0.072 0.000 0.970 410 D CA 0.728 54.672 54.000 -0.094 0.000 0.851 410 D CB -0.003 40.761 40.800 -0.060 0.000 0.943 410 D HN 0.260 nan 8.370 nan 0.000 0.488 411 I N -0.028 120.520 120.570 -0.037 0.000 2.286 411 I HA -0.183 3.988 4.170 0.001 0.000 0.245 411 I C 2.098 178.172 176.117 -0.073 0.000 1.104 411 I CA 0.659 61.956 61.300 -0.005 0.000 1.397 411 I CB 0.019 38.075 38.000 0.092 0.000 1.072 411 I HN 0.017 nan 8.210 nan 0.000 0.417 412 L N 0.311 121.438 121.223 -0.160 0.000 2.072 412 L HA -0.186 4.154 4.340 0.001 0.000 0.205 412 L C 2.548 178.938 176.870 -0.800 0.000 1.079 412 L CA 1.398 55.927 54.840 -0.518 0.000 0.752 412 L CB -0.363 41.427 42.059 -0.449 0.000 0.906 412 L HN 0.114 nan 8.230 nan 0.000 0.436 413 K N -0.279 119.870 120.400 -0.418 0.000 2.063 413 K HA -0.262 4.058 4.320 0.001 0.000 0.208 413 K C 1.685 178.299 176.600 0.023 0.000 1.048 413 K CA 2.002 58.230 56.287 -0.100 0.000 0.928 413 K CB -0.240 32.271 32.500 0.018 0.000 0.713 413 K HN 0.281 nan 8.250 nan 0.000 0.442 414 D N -0.209 120.178 120.400 -0.023 0.000 2.178 414 D HA -0.175 4.466 4.640 0.001 0.000 0.202 414 D C 1.893 178.252 176.300 0.097 0.000 0.974 414 D CA 1.070 55.084 54.000 0.022 0.000 0.841 414 D CB 0.154 40.945 40.800 -0.015 0.000 0.953 414 D HN 0.262 nan 8.370 nan 0.000 0.478 415 H N -1.235 117.823 119.070 -0.019 0.000 2.333 415 H HA -0.050 4.507 4.556 0.001 0.000 0.302 415 H C 1.459 176.944 175.328 0.262 0.000 1.075 415 H CA 1.664 57.784 56.048 0.120 0.000 1.348 415 H CB -0.157 29.585 29.762 -0.034 0.000 1.393 415 H HN 0.202 nan 8.280 nan 0.000 0.509 416 W N 0.364 121.801 121.300 0.230 0.000 2.363 416 W HA -0.119 4.541 4.660 0.000 0.000 0.296 416 W C 2.477 179.037 176.519 0.068 0.000 1.212 416 W CA 1.533 58.946 57.345 0.113 0.000 1.260 416 W CB -1.428 28.080 29.460 0.080 0.000 1.131 416 W HN 0.489 nan 8.180 nan 0.000 0.530 417 H N 0.178 119.369 119.070 0.202 0.000 2.421 417 H HA -0.137 4.419 4.556 0.001 0.000 0.298 417 H C 2.016 177.338 175.328 -0.011 0.000 1.087 417 H CA 2.229 58.331 56.048 0.089 0.000 1.330 417 H CB 0.303 30.102 29.762 0.060 0.000 1.388 417 H HN -0.255 nan 8.280 nan 0.000 0.526 418 K N -0.428 120.014 120.400 0.069 0.000 2.067 418 K HA 0.043 4.363 4.320 0.001 0.000 0.203 418 K C 1.279 177.622 176.600 -0.428 0.000 1.048 418 K CA 1.081 57.227 56.287 -0.235 0.000 0.954 418 K CB -0.070 32.175 32.500 -0.426 0.000 0.737 418 K HN 0.256 nan 8.250 nan 0.000 0.444 419 F N -0.262 119.655 119.950 -0.055 0.000 2.749 419 F HA 0.344 4.872 4.527 0.001 0.000 0.300 419 F C 0.877 176.747 175.800 0.116 0.000 1.103 419 F CA 0.263 58.250 58.000 -0.022 0.000 1.342 419 F CB 0.277 39.161 39.000 -0.193 0.000 1.098 419 F HN 0.093 nan 8.300 nan 0.000 0.586 420 G N 1.374 110.295 108.800 0.203 0.000 2.705 420 G HA2 -0.220 3.740 3.960 0.001 0.000 0.686 420 G HA3 -0.220 3.740 3.960 0.001 0.000 0.686 420 G C -0.679 174.210 174.900 -0.018 0.000 1.285 420 G CA -0.977 44.143 45.100 0.033 0.000 0.800 420 G HN 0.343 nan 8.290 nan 0.000 0.611 421 R N 0.462 120.770 120.500 -0.319 0.000 2.404 421 R HA 0.471 4.811 4.340 0.001 0.000 0.291 421 R C -0.325 175.719 176.300 -0.425 0.000 1.025 421 R CA -0.755 55.007 56.100 -0.563 0.000 0.991 421 R CB 0.417 29.991 30.300 -1.209 0.000 1.053 421 R HN 0.441 nan 8.270 nan 0.000 0.479 422 N N 3.536 122.105 118.700 -0.218 0.000 2.678 422 N HA 0.171 4.912 4.740 0.001 0.000 0.231 422 N C -1.364 174.132 175.510 -0.023 0.000 1.038 422 N CA -0.185 52.890 53.050 0.042 0.000 0.932 422 N CB 0.291 38.873 38.487 0.157 0.000 1.176 422 N HN 0.352 nan 8.380 nan 0.000 0.511 423 F N 1.767 121.704 119.950 -0.021 0.000 2.572 423 F HA 0.199 4.726 4.527 0.000 0.000 0.370 423 F C 0.415 176.289 175.800 0.123 0.000 1.103 423 F CA 0.185 58.178 58.000 -0.012 0.000 1.286 423 F CB 0.249 39.208 39.000 -0.068 0.000 1.105 423 F HN 0.260 nan 8.300 nan 0.000 0.583 424 F N 2.584 122.618 119.950 0.141 0.000 2.578 424 F HA 0.587 5.114 4.527 0.000 0.000 0.311 424 F C -0.523 175.355 175.800 0.131 0.000 1.094 424 F CA -0.329 57.736 58.000 0.108 0.000 0.923 424 F CB 1.966 41.003 39.000 0.062 0.000 1.230 424 F HN 0.383 nan 8.300 nan 0.000 0.450 425 T N 5.020 119.239 114.554 -0.558 0.000 2.868 425 T HA 0.512 4.862 4.350 0.001 0.000 0.306 425 T C -2.047 172.357 174.700 -0.494 0.000 1.224 425 T CA -0.715 61.233 62.100 -0.255 0.000 1.012 425 T CB 1.539 70.414 68.868 0.011 0.000 1.221 425 T HN 0.759 nan 8.240 nan 0.000 0.499 426 R N 3.168 123.612 120.500 -0.093 0.000 2.539 426 R HA 0.276 4.617 4.340 0.001 0.000 0.295 426 R C -1.918 174.389 176.300 0.010 0.000 1.138 426 R CA -0.439 55.634 56.100 -0.045 0.000 0.936 426 R CB 0.569 30.968 30.300 0.165 0.000 1.182 426 R HN 0.626 nan 8.270 nan 0.000 0.459 427 Y N 2.447 122.565 120.300 -0.304 0.000 2.404 427 Y HA 0.257 4.808 4.550 0.001 0.000 0.344 427 Y C 0.228 175.867 175.900 -0.435 0.000 0.995 427 Y CA -0.144 57.734 58.100 -0.370 0.000 1.201 427 Y CB 0.858 39.102 38.460 -0.360 0.000 1.151 427 Y HN 0.371 nan 8.280 nan 0.000 0.517 428 D N 2.907 123.089 120.400 -0.364 0.000 2.256 428 D HA 0.271 4.911 4.640 0.001 0.000 0.246 428 D C -1.219 174.851 176.300 -0.384 0.000 1.042 428 D CA -0.371 53.469 54.000 -0.266 0.000 0.841 428 D CB 1.402 42.126 40.800 -0.127 0.000 1.223 428 D HN 0.345 nan 8.370 nan 0.000 0.470 429 Y N 0.793 121.094 120.300 0.002 0.000 2.326 429 Y HA 0.228 4.778 4.550 0.001 0.000 0.331 429 Y C 1.263 177.171 175.900 0.013 0.000 0.962 429 Y CA -0.530 57.575 58.100 0.010 0.000 1.167 429 Y CB 1.946 40.422 38.460 0.027 0.000 1.148 429 Y HN 0.302 nan 8.280 nan 0.000 0.463 430 E N 1.188 121.463 120.200 0.126 0.000 2.067 430 E HA 0.032 4.383 4.350 0.001 0.000 0.194 430 E C 0.045 176.692 176.600 0.078 0.000 0.950 430 E CA 0.189 56.644 56.400 0.090 0.000 0.872 430 E CB 0.285 30.022 29.700 0.062 0.000 0.877 430 E HN 0.433 nan 8.360 nan 0.000 0.470 431 E N 1.956 122.193 120.200 0.062 0.000 1.972 431 E HA 0.103 4.454 4.350 0.001 0.000 0.292 431 E C -0.845 175.781 176.600 0.044 0.000 1.193 431 E CA 0.038 56.466 56.400 0.048 0.000 1.228 431 E CB 0.075 29.797 29.700 0.037 0.000 1.167 431 E HN -0.027 nan 8.360 nan 0.000 0.479 432 V N 2.249 122.192 119.914 0.049 0.000 2.686 432 V HA 0.017 4.138 4.120 0.001 0.000 0.295 432 V C 0.646 176.750 176.094 0.017 0.000 1.057 432 V CA -0.612 61.706 62.300 0.031 0.000 1.012 432 V CB 1.278 33.121 31.823 0.034 0.000 1.006 432 V HN 0.470 nan 8.190 nan 0.000 0.477 433 E N 3.696 123.898 120.200 0.004 0.000 2.366 433 E HA 0.457 4.807 4.350 0.001 0.000 0.266 433 E C 0.802 177.402 176.600 -0.001 0.000 1.051 433 E CA 0.232 56.633 56.400 0.002 0.000 0.884 433 E CB 1.151 30.849 29.700 -0.003 0.000 1.006 433 E HN 0.600 nan 8.360 nan 0.000 0.417 434 A N 2.677 125.499 122.820 0.003 0.000 1.972 434 A HA -0.213 4.108 4.320 0.001 0.000 0.219 434 A C 2.000 179.579 177.584 -0.007 0.000 1.169 434 A CA 1.447 53.485 52.037 0.002 0.000 0.635 434 A CB -0.705 18.299 19.000 0.007 0.000 0.810 434 A HN 0.810 nan 8.150 nan 0.000 0.446 435 E N -0.043 120.151 120.200 -0.011 0.000 2.051 435 E HA -0.154 4.196 4.350 0.001 0.000 0.192 435 E C 2.206 178.789 176.600 -0.028 0.000 0.991 435 E CA 1.280 57.670 56.400 -0.017 0.000 0.799 435 E CB -0.536 29.154 29.700 -0.016 0.000 0.748 435 E HN 0.498 nan 8.360 nan 0.000 0.449 436 G N 1.105 109.887 108.800 -0.031 0.000 2.553 436 G HA2 -0.322 3.638 3.960 0.001 0.000 0.218 436 G HA3 -0.322 3.638 3.960 0.001 0.000 0.218 436 G C 1.729 176.594 174.900 -0.058 0.000 1.195 436 G CA 1.945 47.018 45.100 -0.045 0.000 0.779 436 G HN 0.442 nan 8.290 nan 0.000 0.577 437 A N -0.038 122.754 122.820 -0.046 0.000 1.902 437 A HA -0.006 4.314 4.320 0.001 0.000 0.217 437 A C 2.537 180.094 177.584 -0.045 0.000 1.181 437 A CA 2.552 54.562 52.037 -0.046 0.000 0.623 437 A CB -0.871 18.119 19.000 -0.017 0.000 0.818 437 A HN 0.349 nan 8.150 nan 0.000 0.443 438 T N -0.641 113.893 114.554 -0.033 0.000 2.951 438 T HA -0.056 4.295 4.350 0.001 0.000 0.268 438 T C 1.894 176.563 174.700 -0.051 0.000 1.073 438 T CA 1.324 63.405 62.100 -0.032 0.000 1.134 438 T CB -0.055 68.802 68.868 -0.018 0.000 0.884 438 T HN 0.544 nan 8.240 nan 0.000 0.479 439 K N 1.031 121.397 120.400 -0.057 0.000 2.031 439 K HA 0.057 4.378 4.320 0.001 0.000 0.205 439 K C 2.408 178.950 176.600 -0.096 0.000 1.049 439 K CA 0.830 57.076 56.287 -0.067 0.000 0.939 439 K CB -0.264 32.200 32.500 -0.060 0.000 0.717 439 K HN 0.254 nan 8.250 nan 0.000 0.438 440 M N 0.390 119.925 119.600 -0.109 0.000 2.082 440 M HA -0.240 4.240 4.480 0.001 0.000 0.258 440 M C 1.993 178.178 176.300 -0.191 0.000 1.069 440 M CA 1.566 56.771 55.300 -0.157 0.000 1.102 440 M CB -0.009 32.491 32.600 -0.167 0.000 1.336 440 M HN 0.186 nan 8.290 nan 0.000 0.404 441 M N -0.060 119.453 119.600 -0.145 0.000 2.077 441 M HA -0.183 4.297 4.480 0.001 0.000 0.261 441 M C 1.961 178.168 176.300 -0.155 0.000 1.070 441 M CA 1.798 57.012 55.300 -0.143 0.000 1.125 441 M CB -1.436 31.123 32.600 -0.068 0.000 1.339 441 M HN 0.189 nan 8.290 nan 0.000 0.409 442 K N 0.396 120.726 120.400 -0.118 0.000 2.089 442 K HA -0.230 4.091 4.320 0.001 0.000 0.210 442 K C 1.586 178.102 176.600 -0.141 0.000 1.048 442 K CA 2.092 58.311 56.287 -0.113 0.000 0.926 442 K CB -0.225 32.231 32.500 -0.074 0.000 0.714 442 K HN 0.323 nan 8.250 nan 0.000 0.448 443 D N 0.153 120.466 120.400 -0.145 0.000 2.103 443 D HA -0.117 4.523 4.640 0.001 0.000 0.199 443 D C 1.659 177.835 176.300 -0.206 0.000 0.978 443 D CA 0.532 54.441 54.000 -0.153 0.000 0.829 443 D CB -0.080 40.638 40.800 -0.137 0.000 0.981 443 D HN -0.018 nan 8.370 nan 0.000 0.464 444 L N 1.168 122.243 121.223 -0.247 0.000 2.046 444 L HA -0.136 4.204 4.340 0.001 0.000 0.208 444 L C 1.917 178.592 176.870 -0.325 0.000 1.077 444 L CA 1.810 56.469 54.840 -0.300 0.000 0.747 444 L CB -0.545 41.287 42.059 -0.379 0.000 0.896 444 L HN 0.023 nan 8.230 nan 0.000 0.432 445 E N -0.717 119.274 120.200 -0.348 0.000 2.058 445 E HA -0.255 4.095 4.350 0.001 0.000 0.194 445 E C 2.114 178.356 176.600 -0.598 0.000 0.997 445 E CA 1.326 57.392 56.400 -0.557 0.000 0.801 445 E CB -0.198 29.218 29.700 -0.474 0.000 0.746 445 E HN 0.641 nan 8.360 nan 0.000 0.450 446 A N 1.113 123.742 122.820 -0.318 0.000 1.902 446 A HA -0.160 4.160 4.320 0.001 0.000 0.217 446 A C 2.214 179.706 177.584 -0.154 0.000 1.181 446 A CA 1.187 53.126 52.037 -0.163 0.000 0.623 446 A CB -0.738 18.197 19.000 -0.108 0.000 0.818 446 A HN 0.430 nan 8.150 nan 0.000 0.443 447 L N -1.317 119.758 121.223 -0.245 0.000 2.083 447 L HA -0.190 4.150 4.340 0.001 0.000 0.209 447 L C 2.616 179.156 176.870 -0.549 0.000 1.083 447 L CA 1.766 56.393 54.840 -0.354 0.000 0.752 447 L CB -0.176 41.648 42.059 -0.393 0.000 0.899 447 L HN 0.445 nan 8.230 nan 0.000 0.433 448 M N -1.493 117.859 119.600 -0.412 0.000 2.156 448 M HA -0.139 4.342 4.480 0.001 0.000 0.264 448 M C 1.239 177.763 176.300 0.373 0.000 1.067 448 M CA 1.231 56.487 55.300 -0.075 0.000 1.131 448 M CB -0.007 32.596 32.600 0.006 0.000 1.368 448 M HN 0.120 nan 8.290 nan 0.000 0.416 449 F N 0.742 120.728 119.950 0.061 0.000 2.754 449 F HA 0.089 4.616 4.527 0.001 0.000 0.303 449 F C 0.466 176.311 175.800 0.076 0.000 1.196 449 F CA -0.456 57.593 58.000 0.081 0.000 1.416 449 F CB -1.680 37.346 39.000 0.043 0.000 1.092 449 F HN 0.082 nan 8.300 nan 0.000 0.541 450 D N 0.435 120.985 120.400 0.251 0.000 2.304 450 D HA 0.071 4.712 4.640 0.001 0.000 0.250 450 D C 1.733 178.146 176.300 0.189 0.000 1.107 450 D CA -0.351 53.753 54.000 0.173 0.000 0.885 450 D CB 0.925 41.791 40.800 0.110 0.000 1.192 450 D HN -0.051 nan 8.370 nan 0.000 0.436 451 R N 1.873 122.449 120.500 0.127 0.000 2.261 451 R HA -0.100 4.240 4.340 0.001 0.000 0.236 451 R C 0.499 176.867 176.300 0.114 0.000 1.141 451 R CA 1.181 57.343 56.100 0.103 0.000 1.001 451 R CB -0.817 29.523 30.300 0.067 0.000 0.866 451 R HN 0.306 nan 8.270 nan 0.000 0.468 452 S N -0.035 115.748 115.700 0.139 0.000 2.511 452 S HA 0.111 4.582 4.470 0.001 0.000 0.214 452 S C 1.074 175.802 174.600 0.213 0.000 0.997 452 S CA -0.363 57.919 58.200 0.136 0.000 0.908 452 S CB -0.234 63.030 63.200 0.106 0.000 0.803 452 S HN 0.194 nan 8.310 nan 0.000 0.504 453 F N 3.434 123.431 119.950 0.078 0.000 2.134 453 F HA 0.050 4.577 4.527 0.001 0.000 0.299 453 F C 0.849 176.720 175.800 0.119 0.000 1.097 453 F CA 0.192 58.257 58.000 0.107 0.000 1.264 453 F CB -0.569 38.511 39.000 0.133 0.000 1.001 453 F HN -0.116 nan 8.300 nan 0.000 0.479 454 V N 1.301 121.241 119.914 0.043 0.000 2.409 454 V HA 0.328 4.449 4.120 0.001 0.000 0.270 454 V C 1.039 177.121 176.094 -0.021 0.000 1.019 454 V CA 1.194 63.460 62.300 -0.056 0.000 1.066 454 V CB -0.113 31.717 31.823 0.012 0.000 1.021 454 V HN 0.664 nan 8.190 nan 0.000 0.476 455 G N 4.938 113.713 108.800 -0.042 0.000 2.480 455 G HA2 -0.177 3.783 3.960 0.001 0.000 0.193 455 G HA3 -0.177 3.783 3.960 0.001 0.000 0.193 455 G C 0.448 175.344 174.900 -0.006 0.000 1.004 455 G CA -0.105 44.994 45.100 -0.001 0.000 0.696 455 G HN 0.713 nan 8.290 nan 0.000 0.478 456 K N 3.083 123.463 120.400 -0.034 0.000 1.826 456 K HA 0.136 4.456 4.320 0.001 0.000 0.214 456 K C 0.980 177.475 176.600 -0.175 0.000 1.139 456 K CA 0.254 56.492 56.287 -0.081 0.000 1.311 456 K CB -1.007 31.505 32.500 0.020 0.000 1.014 456 K HN 0.588 nan 8.250 nan 0.000 0.272 457 Q N 2.085 121.809 119.800 -0.128 0.000 2.333 457 Q HA 0.031 4.371 4.340 0.001 0.000 0.299 457 Q C -0.548 175.299 176.000 -0.254 0.000 1.067 457 Q CA 0.815 56.570 55.803 -0.080 0.000 0.943 457 Q CB 0.295 29.004 28.738 -0.048 0.000 1.233 457 Q HN 0.379 nan 8.270 nan 0.000 0.401 458 F N -0.023 119.962 119.950 0.058 0.000 2.576 458 F HA 0.479 5.006 4.527 0.000 0.000 0.313 458 F C 0.183 176.005 175.800 0.036 0.000 1.078 458 F CA -0.673 57.364 58.000 0.062 0.000 0.921 458 F CB 2.318 41.368 39.000 0.083 0.000 1.232 458 F HN 0.472 nan 8.300 nan 0.000 0.459 459 S N 0.692 116.530 115.700 0.229 0.000 2.618 459 S HA 0.878 5.349 4.470 0.001 0.000 0.277 459 S C -0.539 174.129 174.600 0.114 0.000 1.138 459 S CA 0.236 58.512 58.200 0.126 0.000 0.844 459 S CB 1.887 65.115 63.200 0.047 0.000 1.127 459 S HN 1.117 nan 8.310 nan 0.000 0.474 460 A N 2.174 125.040 122.820 0.078 0.000 2.654 460 A HA 0.477 4.798 4.320 0.001 0.000 0.203 460 A C 0.065 177.666 177.584 0.028 0.000 1.306 460 A CA -0.195 51.875 52.037 0.054 0.000 1.041 460 A CB -0.360 18.672 19.000 0.055 0.000 1.217 460 A HN 0.713 nan 8.150 nan 0.000 0.510 461 N N -1.567 117.143 118.700 0.017 0.000 3.501 461 N HA -0.048 4.693 4.740 0.001 0.000 0.275 461 N C 0.029 175.527 175.510 -0.020 0.000 1.320 461 N CA 0.330 53.378 53.050 -0.003 0.000 0.776 461 N CB 0.058 38.541 38.487 -0.006 0.000 1.623 461 N HN 0.058 nan 8.380 nan 0.000 0.377 462 D N 0.926 121.308 120.400 -0.031 0.000 2.723 462 D HA -0.236 4.405 4.640 0.001 0.000 0.208 462 D C 0.298 176.548 176.300 -0.083 0.000 1.050 462 D CA 1.940 55.911 54.000 -0.048 0.000 0.893 462 D CB 0.058 40.832 40.800 -0.045 0.000 1.062 462 D HN 0.301 nan 8.370 nan 0.000 0.478 463 K N -0.493 119.835 120.400 -0.120 0.000 2.350 463 K HA 0.264 4.584 4.320 0.001 0.000 0.279 463 K C -1.217 175.170 176.600 -0.354 0.000 1.027 463 K CA -0.489 55.651 56.287 -0.246 0.000 0.969 463 K CB 1.155 33.483 32.500 -0.286 0.000 0.954 463 K HN -0.007 nan 8.250 nan 0.000 0.474 464 V N 6.086 125.773 119.914 -0.378 0.000 2.333 464 V HA 0.149 4.270 4.120 0.001 0.000 0.274 464 V C -0.907 174.930 176.094 -0.427 0.000 1.028 464 V CA -0.751 61.370 62.300 -0.299 0.000 0.851 464 V CB 0.173 31.914 31.823 -0.135 0.000 1.000 464 V HN 0.593 nan 8.190 nan 0.000 0.456 465 Y N 2.498 122.720 120.300 -0.129 0.000 2.486 465 Y HA 0.304 4.855 4.550 0.002 0.000 0.348 465 Y C 1.215 177.117 175.900 0.004 0.000 1.000 465 Y CA -0.231 57.706 58.100 -0.272 0.000 1.253 465 Y CB 0.544 38.423 38.460 -0.968 0.000 1.140 465 Y HN 0.514 nan 8.280 nan 0.000 0.526 466 T N 3.954 118.647 114.554 0.232 0.000 2.733 466 T HA 0.227 4.577 4.350 0.001 0.000 0.294 466 T C 0.007 174.961 174.700 0.423 0.000 0.956 466 T CA -0.710 61.557 62.100 0.279 0.000 0.987 466 T CB 0.408 69.354 68.868 0.130 0.000 0.920 466 T HN 0.301 nan 8.240 nan 0.000 0.470 467 V N 4.546 124.683 119.914 0.372 0.000 2.420 467 V HA -0.004 4.117 4.120 0.001 0.000 0.274 467 V C 1.626 177.721 176.094 0.002 0.000 1.003 467 V CA 0.494 62.858 62.300 0.106 0.000 1.092 467 V CB -0.084 31.576 31.823 -0.272 0.000 1.002 467 V HN 0.946 nan 8.190 nan 0.000 0.473 468 E N 4.150 124.358 120.200 0.013 0.000 2.190 468 E HA 0.059 4.409 4.350 0.001 0.000 0.191 468 E C 0.794 177.380 176.600 -0.024 0.000 0.978 468 E CA 0.432 56.837 56.400 0.009 0.000 0.839 468 E CB 0.524 30.249 29.700 0.043 0.000 0.787 468 E HN 0.664 nan 8.360 nan 0.000 0.473 469 K N -0.655 119.705 120.400 -0.066 0.000 2.546 469 K HA 0.579 4.899 4.320 0.001 0.000 0.264 469 K C -2.065 174.515 176.600 -0.033 0.000 0.937 469 K CA -0.467 55.801 56.287 -0.031 0.000 0.833 469 K CB 2.185 34.684 32.500 -0.002 0.000 1.378 469 K HN -0.011 nan 8.250 nan 0.000 0.432 470 A N 2.812 125.677 122.820 0.075 0.000 2.437 470 A HA 0.678 4.998 4.320 0.001 0.000 0.293 470 A C -1.870 175.893 177.584 0.299 0.000 1.038 470 A CA -0.420 51.723 52.037 0.177 0.000 0.708 470 A CB 1.076 20.266 19.000 0.317 0.000 1.251 470 A HN 0.888 nan 8.150 nan 0.000 0.409 471 D N 0.566 121.159 120.400 0.322 0.000 2.692 471 D HA 0.335 4.975 4.640 0.001 0.000 0.290 471 D C -1.228 175.310 176.300 0.396 0.000 1.281 471 D CA -0.560 53.716 54.000 0.461 0.000 0.804 471 D CB 0.682 41.645 40.800 0.271 0.000 1.331 471 D HN 0.212 nan 8.370 nan 0.000 0.432 472 N N 0.314 119.282 118.700 0.447 0.000 2.501 472 N HA 0.275 5.015 4.740 0.001 0.000 0.245 472 N C -1.359 174.306 175.510 0.258 0.000 0.974 472 N CA -0.650 52.584 53.050 0.307 0.000 0.941 472 N CB 0.160 38.831 38.487 0.307 0.000 1.122 472 N HN 0.417 nan 8.380 nan 0.000 0.507 473 F N 2.484 122.498 119.950 0.107 0.000 2.604 473 F HA -0.012 4.515 4.527 0.001 0.000 0.393 473 F C 0.654 176.480 175.800 0.043 0.000 1.043 473 F CA 0.527 58.565 58.000 0.064 0.000 1.227 473 F CB 0.410 39.426 39.000 0.027 0.000 1.016 473 F HN 0.470 nan 8.300 nan 0.000 0.556 474 E N 6.116 125.919 120.200 -0.662 0.000 2.234 474 E HA 0.227 4.578 4.350 0.001 0.000 0.266 474 E C -2.141 173.962 176.600 -0.828 0.000 0.877 474 E CA -0.912 55.124 56.400 -0.606 0.000 0.758 474 E CB 1.308 30.831 29.700 -0.295 0.000 1.170 474 E HN 0.638 nan 8.360 nan 0.000 0.415 475 Y N 3.703 123.519 120.300 -0.806 0.000 2.326 475 Y HA 0.333 4.883 4.550 0.001 0.000 0.331 475 Y C -1.435 174.277 175.900 -0.312 0.000 0.962 475 Y CA -0.680 57.099 58.100 -0.534 0.000 1.167 475 Y CB 0.925 39.089 38.460 -0.494 0.000 1.148 475 Y HN 0.589 nan 8.280 nan 0.000 0.463 476 H N 3.671 122.411 119.070 -0.550 0.000 2.519 476 H HA 0.213 4.769 4.556 0.001 0.000 0.316 476 H C -0.398 174.576 175.328 -0.591 0.000 1.065 476 H CA -0.768 55.055 56.048 -0.374 0.000 1.264 476 H CB 0.830 30.447 29.762 -0.242 0.000 1.413 476 H HN 0.588 nan 8.280 nan 0.000 0.465 477 D N 4.231 124.508 120.400 -0.204 0.000 2.389 477 D HA -0.009 4.631 4.640 0.001 0.000 0.247 477 D C -1.469 174.787 176.300 -0.074 0.000 1.128 477 D CA -1.427 52.515 54.000 -0.098 0.000 0.884 477 D CB 1.494 42.404 40.800 0.183 0.000 1.194 477 D HN 0.367 nan 8.370 nan 0.000 0.441 478 P HA -0.014 nan 4.420 nan 0.000 0.239 478 P C 1.401 178.695 177.300 -0.010 0.000 1.188 478 P CA 0.036 63.114 63.100 -0.037 0.000 0.794 478 P CB 0.841 32.521 31.700 -0.033 0.000 0.937 479 V N 2.549 122.466 119.914 0.006 0.000 2.300 479 V HA -0.145 3.976 4.120 0.001 0.000 0.233 479 V C 2.033 178.134 176.094 0.012 0.000 1.052 479 V CA 2.548 64.852 62.300 0.007 0.000 1.026 479 V CB -1.233 30.595 31.823 0.008 0.000 0.661 479 V HN 0.182 nan 8.190 nan 0.000 0.470 480 D N 0.111 120.524 120.400 0.021 0.000 2.349 480 D HA 0.147 4.788 4.640 0.001 0.000 0.224 480 D C 1.438 177.753 176.300 0.025 0.000 1.029 480 D CA 0.821 54.833 54.000 0.020 0.000 0.879 480 D CB -0.254 40.557 40.800 0.019 0.000 0.906 480 D HN 0.548 nan 8.370 nan 0.000 0.528 481 G N 0.246 109.060 108.800 0.023 0.000 2.180 481 G HA2 -0.345 3.615 3.960 0.001 0.000 0.263 481 G HA3 -0.345 3.615 3.960 0.001 0.000 0.263 481 G C 0.546 175.468 174.900 0.038 0.000 0.989 481 G CA 0.845 45.957 45.100 0.020 0.000 0.692 481 G HN 0.842 nan 8.290 nan 0.000 0.526 482 S N -1.570 114.162 115.700 0.053 0.000 2.641 482 S HA 0.695 5.165 4.470 0.001 0.000 0.261 482 S C 0.069 174.694 174.600 0.042 0.000 1.257 482 S CA -0.023 58.212 58.200 0.058 0.000 0.983 482 S CB 2.264 65.509 63.200 0.075 0.000 0.990 482 S HN 1.088 nan 8.310 nan 0.000 0.572 483 V N 1.128 121.044 119.914 0.004 0.000 2.443 483 V HA 0.482 4.602 4.120 0.001 0.000 0.293 483 V C -0.221 175.824 176.094 -0.082 0.000 1.021 483 V CA -0.670 61.548 62.300 -0.136 0.000 0.848 483 V CB 1.397 33.084 31.823 -0.226 0.000 0.998 483 V HN 0.903 nan 8.190 nan 0.000 0.424 484 S N 5.221 120.870 115.700 -0.084 0.000 2.434 484 S HA 0.470 4.940 4.470 0.001 0.000 0.318 484 S C -0.112 174.405 174.600 -0.138 0.000 1.062 484 S CA -0.564 57.623 58.200 -0.022 0.000 1.116 484 S CB -0.005 63.227 63.200 0.054 0.000 0.977 484 S HN 0.659 nan 8.310 nan 0.000 0.480 485 K N 2.239 122.584 120.400 -0.093 0.000 2.185 485 K HA 0.362 4.683 4.320 0.001 0.000 0.240 485 K C 0.302 176.895 176.600 -0.011 0.000 0.983 485 K CA -0.878 55.353 56.287 -0.092 0.000 0.873 485 K CB 0.667 33.123 32.500 -0.073 0.000 1.118 485 K HN 0.578 nan 8.250 nan 0.000 0.441 486 N N 0.982 119.693 118.700 0.019 0.000 2.754 486 N HA -0.167 4.574 4.740 0.001 0.000 0.248 486 N C 0.118 175.689 175.510 0.102 0.000 1.093 486 N CA 0.502 53.596 53.050 0.073 0.000 0.699 486 N CB -0.481 38.044 38.487 0.064 0.000 1.016 486 N HN 0.523 nan 8.380 nan 0.000 0.552 487 Q N -0.391 119.487 119.800 0.129 0.000 2.451 487 Q HA 0.292 4.633 4.340 0.001 0.000 0.206 487 Q C 1.046 177.174 176.000 0.213 0.000 0.947 487 Q CA 1.229 57.145 55.803 0.188 0.000 0.937 487 Q CB 0.307 29.213 28.738 0.280 0.000 1.025 487 Q HN 0.666 nan 8.270 nan 0.000 0.511 488 G N -0.242 108.688 108.800 0.216 0.000 2.329 488 G HA2 0.146 4.107 3.960 0.001 0.000 0.308 488 G HA3 0.146 4.107 3.960 0.001 0.000 0.308 488 G C -1.648 173.378 174.900 0.210 0.000 1.587 488 G CA -1.048 44.173 45.100 0.202 0.000 0.978 488 G HN 0.038 nan 8.290 nan 0.000 0.685 489 L N 0.525 121.874 121.223 0.210 0.000 2.307 489 L HA 0.718 5.059 4.340 0.001 0.000 0.282 489 L C 0.508 177.497 176.870 0.198 0.000 1.051 489 L CA -0.779 54.183 54.840 0.204 0.000 0.804 489 L CB 1.633 43.795 42.059 0.172 0.000 1.197 489 L HN 0.471 nan 8.230 nan 0.000 0.431 490 R N 3.282 123.875 120.500 0.155 0.000 2.360 490 R HA 0.504 4.844 4.340 0.001 0.000 0.318 490 R C -1.327 174.985 176.300 0.021 0.000 0.950 490 R CA -0.572 55.569 56.100 0.068 0.000 0.837 490 R CB 1.355 31.671 30.300 0.027 0.000 1.165 490 R HN 0.340 nan 8.270 nan 0.000 0.458 491 L N 5.282 126.456 121.223 -0.080 0.000 2.288 491 L HA 0.375 4.716 4.340 0.001 0.000 0.283 491 L C -0.343 176.182 176.870 -0.575 0.000 1.072 491 L CA 0.098 54.776 54.840 -0.269 0.000 0.862 491 L CB 0.445 42.323 42.059 -0.301 0.000 1.245 491 L HN 0.553 nan 8.230 nan 0.000 0.432 492 I N 3.339 123.681 120.570 -0.379 0.000 2.379 492 I HA 0.178 4.348 4.170 0.001 0.000 0.290 492 I C -0.095 175.794 176.117 -0.379 0.000 1.063 492 I CA -0.111 60.991 61.300 -0.329 0.000 1.351 492 I CB 0.179 38.108 38.000 -0.117 0.000 1.410 492 I HN 0.238 nan 8.210 nan 0.000 0.505 493 F N 3.770 123.753 119.950 0.055 0.000 2.377 493 F HA 0.374 4.902 4.527 0.001 0.000 0.328 493 F C 1.440 177.293 175.800 0.090 0.000 1.094 493 F CA -0.588 57.471 58.000 0.099 0.000 1.093 493 F CB 1.001 40.122 39.000 0.201 0.000 1.214 493 F HN 0.502 nan 8.300 nan 0.000 0.518 494 A N 0.729 123.731 122.820 0.304 0.000 2.131 494 A HA -0.164 4.157 4.320 0.001 0.000 0.220 494 A C 1.584 179.254 177.584 0.144 0.000 1.158 494 A CA 1.734 53.872 52.037 0.168 0.000 0.665 494 A CB -0.921 18.155 19.000 0.127 0.000 0.795 494 A HN 0.765 nan 8.150 nan 0.000 0.460 495 D N -2.554 117.965 120.400 0.198 0.000 2.340 495 D HA 0.282 4.923 4.640 0.001 0.000 0.217 495 D C 1.139 177.532 176.300 0.156 0.000 1.081 495 D CA 0.913 55.010 54.000 0.162 0.000 0.842 495 D CB -0.316 40.587 40.800 0.170 0.000 0.934 495 D HN 0.669 nan 8.370 nan 0.000 0.511 496 G N 0.004 108.884 108.800 0.134 0.000 2.258 496 G HA2 -0.269 3.692 3.960 0.001 0.000 0.233 496 G HA3 -0.269 3.692 3.960 0.001 0.000 0.233 496 G C 0.450 175.455 174.900 0.175 0.000 1.006 496 G CA 0.184 45.315 45.100 0.052 0.000 0.620 496 G HN 0.436 nan 8.290 nan 0.000 0.511 497 S N 0.723 116.615 115.700 0.321 0.000 2.593 497 S HA 0.723 5.193 4.470 0.001 0.000 0.269 497 S C 0.557 175.344 174.600 0.312 0.000 1.334 497 S CA 0.075 58.474 58.200 0.331 0.000 1.015 497 S CB 1.446 64.850 63.200 0.339 0.000 0.912 497 S HN 0.635 nan 8.310 nan 0.000 0.541 498 R N 0.060 120.676 120.500 0.193 0.000 2.817 498 R HA 0.677 5.017 4.340 0.001 0.000 0.268 498 R C -1.249 175.054 176.300 0.004 0.000 1.027 498 R CA -0.742 55.382 56.100 0.039 0.000 0.928 498 R CB 1.424 31.720 30.300 -0.007 0.000 1.228 498 R HN 0.499 nan 8.270 nan 0.000 0.469 499 I N 1.837 122.342 120.570 -0.108 0.000 2.607 499 I HA 0.410 4.581 4.170 0.001 0.000 0.290 499 I C -1.299 174.699 176.117 -0.199 0.000 1.129 499 I CA -0.797 60.403 61.300 -0.166 0.000 1.042 499 I CB 2.202 40.107 38.000 -0.158 0.000 1.242 499 I HN 0.352 nan 8.210 nan 0.000 0.421 500 I N 5.750 126.180 120.570 -0.233 0.000 2.533 500 I HA 0.420 4.591 4.170 0.001 0.000 0.290 500 I C -1.004 175.019 176.117 -0.158 0.000 1.056 500 I CA -0.088 61.170 61.300 -0.070 0.000 1.057 500 I CB 1.728 39.765 38.000 0.061 0.000 1.240 500 I HN 0.203 nan 8.210 nan 0.000 0.423 501 F N 4.819 124.849 119.950 0.134 0.000 2.458 501 F HA 0.731 5.259 4.527 0.001 0.000 0.336 501 F C 0.278 176.161 175.800 0.139 0.000 1.114 501 F CA -0.590 57.470 58.000 0.099 0.000 0.987 501 F CB 1.709 40.729 39.000 0.033 0.000 1.130 501 F HN 0.257 nan 8.300 nan 0.000 0.458 502 R N 2.439 123.113 120.500 0.290 0.000 2.621 502 R HA 0.625 4.966 4.340 0.001 0.000 0.284 502 R C -1.919 174.492 176.300 0.185 0.000 0.998 502 R CA -1.019 55.234 56.100 0.256 0.000 0.895 502 R CB 1.772 32.298 30.300 0.376 0.000 1.195 502 R HN 0.620 nan 8.270 nan 0.000 0.450 503 L N 4.148 125.462 121.223 0.151 0.000 2.371 503 L HA 0.300 4.641 4.340 0.001 0.000 0.262 503 L C 0.713 177.648 176.870 0.107 0.000 1.054 503 L CA 0.216 55.124 54.840 0.113 0.000 0.924 503 L CB 1.198 43.306 42.059 0.081 0.000 1.295 503 L HN 0.830 nan 8.230 nan 0.000 0.441 504 S N 1.682 117.450 115.700 0.113 0.000 2.356 504 S HA -0.013 4.458 4.470 0.001 0.000 0.223 504 S C 1.160 175.812 174.600 0.086 0.000 1.032 504 S CA 0.598 58.864 58.200 0.109 0.000 1.005 504 S CB -0.660 62.610 63.200 0.116 0.000 0.867 504 S HN 0.662 nan 8.310 nan 0.000 0.449 505 G N 2.199 111.045 108.800 0.077 0.000 2.977 505 G HA2 0.401 4.361 3.960 0.001 0.000 0.306 505 G HA3 0.401 4.361 3.960 0.001 0.000 0.306 505 G C 0.836 175.768 174.900 0.054 0.000 0.885 505 G CA 0.032 45.169 45.100 0.061 0.000 1.649 505 G HN 0.490 nan 8.290 nan 0.000 0.514 506 T N -0.550 114.035 114.554 0.053 0.000 2.833 506 T HA 0.199 4.550 4.350 0.001 0.000 0.269 506 T C 1.169 175.888 174.700 0.033 0.000 1.054 506 T CA 0.764 62.891 62.100 0.045 0.000 1.135 506 T CB 0.273 69.169 68.868 0.047 0.000 0.869 506 T HN 0.926 nan 8.240 nan 0.000 0.466 507 G N -0.685 108.134 108.800 0.031 0.000 2.596 507 G HA2 0.491 4.451 3.960 0.001 0.000 0.300 507 G HA3 0.491 4.451 3.960 0.001 0.000 0.300 507 G C -1.130 173.783 174.900 0.022 0.000 1.370 507 G CA 0.030 45.144 45.100 0.024 0.000 1.170 507 G HN 0.557 nan 8.290 nan 0.000 0.594 508 S N 0.162 115.874 115.700 0.019 0.000 2.683 508 S HA 0.648 5.118 4.470 0.001 0.000 0.264 508 S C 1.311 175.920 174.600 0.014 0.000 1.066 508 S CA 0.661 58.871 58.200 0.016 0.000 0.846 508 S CB 0.470 63.681 63.200 0.018 0.000 1.114 508 S HN 2.057 nan 8.310 nan 0.000 0.476 509 A N 1.063 123.890 122.820 0.012 0.000 1.877 509 A HA 0.325 4.645 4.320 0.001 0.000 0.216 509 A C 1.367 178.959 177.584 0.014 0.000 1.186 509 A CA 1.660 53.703 52.037 0.010 0.000 0.620 509 A CB -1.398 17.607 19.000 0.008 0.000 0.822 509 A HN 1.499 nan 8.150 nan 0.000 0.443 510 G N -0.625 108.186 108.800 0.018 0.000 2.333 510 G HA2 0.554 4.514 3.960 0.001 0.000 0.290 510 G HA3 0.554 4.514 3.960 0.001 0.000 0.290 510 G C -0.391 174.527 174.900 0.030 0.000 1.150 510 G CA 0.437 45.551 45.100 0.024 0.000 0.895 510 G HN 0.853 nan 8.290 nan 0.000 0.444 511 A N 2.550 125.390 122.820 0.035 0.000 2.401 511 A HA 0.876 5.196 4.320 0.001 0.000 0.310 511 A C -0.051 177.568 177.584 0.058 0.000 1.075 511 A CA -0.638 51.424 52.037 0.041 0.000 0.746 511 A CB 1.809 20.828 19.000 0.032 0.000 1.277 511 A HN 0.606 nan 8.150 nan 0.000 0.425 512 T N 2.261 116.857 114.554 0.070 0.000 2.792 512 T HA 0.560 4.911 4.350 0.001 0.000 0.280 512 T C -0.382 174.382 174.700 0.108 0.000 0.990 512 T CA 0.065 62.220 62.100 0.091 0.000 0.960 512 T CB 0.496 69.415 68.868 0.086 0.000 0.939 512 T HN 0.429 nan 8.240 nan 0.000 0.439 513 I N 3.634 124.297 120.570 0.154 0.000 2.354 513 I HA 0.421 4.591 4.170 0.001 0.000 0.292 513 I C 0.384 176.612 176.117 0.185 0.000 0.989 513 I CA -0.793 60.616 61.300 0.181 0.000 1.188 513 I CB 1.107 39.223 38.000 0.194 0.000 1.342 513 I HN 0.328 nan 8.210 nan 0.000 0.457 514 R N 6.445 126.975 120.500 0.051 0.000 2.288 514 R HA 0.524 4.864 4.340 0.001 0.000 0.326 514 R C -1.250 174.837 176.300 -0.355 0.000 0.959 514 R CA -0.927 55.044 56.100 -0.216 0.000 0.834 514 R CB 1.876 31.969 30.300 -0.344 0.000 1.157 514 R HN 0.390 nan 8.270 nan 0.000 0.470 515 L N 3.682 124.721 121.223 -0.307 0.000 2.294 515 L HA 0.394 4.734 4.340 0.001 0.000 0.283 515 L C -1.489 175.109 176.870 -0.453 0.000 1.015 515 L CA -0.682 53.952 54.840 -0.344 0.000 0.831 515 L CB 0.579 42.583 42.059 -0.092 0.000 1.217 515 L HN 0.399 nan 8.230 nan 0.000 0.420 516 Y N 6.082 126.227 120.300 -0.259 0.000 2.341 516 Y HA 0.554 5.104 4.550 0.001 0.000 0.340 516 Y C 0.008 175.665 175.900 -0.405 0.000 0.997 516 Y CA -0.877 57.045 58.100 -0.297 0.000 1.149 516 Y CB 0.974 39.361 38.460 -0.123 0.000 1.171 516 Y HN 0.332 nan 8.280 nan 0.000 0.494 517 I N 3.763 124.104 120.570 -0.383 0.000 2.355 517 I HA 0.169 4.339 4.170 0.001 0.000 0.288 517 I C -0.642 175.320 176.117 -0.258 0.000 0.999 517 I CA -0.634 60.475 61.300 -0.318 0.000 1.163 517 I CB 1.536 39.327 38.000 -0.349 0.000 1.316 517 I HN 0.592 nan 8.210 nan 0.000 0.454 518 D N 4.835 125.218 120.400 -0.029 0.000 2.464 518 D HA 0.148 4.788 4.640 0.001 0.000 0.243 518 D C -0.382 176.011 176.300 0.156 0.000 1.104 518 D CA -0.054 54.046 54.000 0.167 0.000 0.883 518 D CB 1.139 42.103 40.800 0.273 0.000 1.050 518 D HN 0.397 nan 8.370 nan 0.000 0.524 519 S N 4.341 120.138 115.700 0.162 0.000 2.410 519 S HA 0.236 4.706 4.470 0.001 0.000 0.304 519 S C -0.742 174.039 174.600 0.302 0.000 1.095 519 S CA -0.690 57.621 58.200 0.186 0.000 1.089 519 S CB 0.015 63.273 63.200 0.096 0.000 0.968 519 S HN 0.412 nan 8.310 nan 0.000 0.480 520 Y N 4.159 124.579 120.300 0.200 0.000 2.393 520 Y HA 0.483 5.034 4.550 0.000 0.000 0.338 520 Y C -0.029 175.982 175.900 0.186 0.000 1.029 520 Y CA -0.248 57.959 58.100 0.179 0.000 1.239 520 Y CB 0.795 39.341 38.460 0.143 0.000 1.170 520 Y HN 0.711 nan 8.280 nan 0.000 0.515 521 E N 5.029 124.946 120.200 -0.471 0.000 2.279 521 E HA 0.218 4.568 4.350 0.001 0.000 0.252 521 E C -0.267 175.986 176.600 -0.578 0.000 0.894 521 E CA -0.583 55.614 56.400 -0.337 0.000 0.785 521 E CB 1.233 30.971 29.700 0.062 0.000 1.237 521 E HN 0.533 nan 8.360 nan 0.000 0.418 522 K N 2.915 123.008 120.400 -0.512 0.000 2.459 522 K HA 0.063 4.384 4.320 0.001 0.000 0.193 522 K C -0.089 176.447 176.600 -0.107 0.000 1.030 522 K CA 0.142 56.280 56.287 -0.248 0.000 1.026 522 K CB 0.160 32.691 32.500 0.051 0.000 0.809 522 K HN 0.430 nan 8.250 nan 0.000 0.504 523 D N 0.921 121.275 120.400 -0.076 0.000 2.363 523 D HA -0.017 4.623 4.640 0.001 0.000 0.263 523 D C 0.073 176.356 176.300 -0.028 0.000 1.258 523 D CA 0.260 54.237 54.000 -0.038 0.000 0.907 523 D CB 0.262 41.052 40.800 -0.017 0.000 1.107 523 D HN 0.234 nan 8.370 nan 0.000 0.495 524 N N 2.471 121.141 118.700 -0.050 0.000 2.519 524 N HA -0.151 4.589 4.740 0.001 0.000 0.186 524 N C 1.107 176.638 175.510 0.035 0.000 1.062 524 N CA 0.453 53.482 53.050 -0.036 0.000 0.910 524 N CB 0.356 38.757 38.487 -0.144 0.000 0.958 524 N HN 0.414 nan 8.380 nan 0.000 0.445 525 A N 1.105 123.942 122.820 0.029 0.000 1.997 525 A HA 0.046 4.366 4.320 0.001 0.000 0.212 525 A C 1.995 179.612 177.584 0.054 0.000 1.178 525 A CA 0.528 52.591 52.037 0.044 0.000 0.698 525 A CB 0.190 19.206 19.000 0.027 0.000 0.842 525 A HN 0.081 nan 8.150 nan 0.000 0.458 526 K N 0.374 120.803 120.400 0.048 0.000 2.243 526 K HA 0.081 4.402 4.320 0.001 0.000 0.201 526 K C 1.670 178.365 176.600 0.159 0.000 1.051 526 K CA 1.051 57.375 56.287 0.062 0.000 0.970 526 K CB -0.317 32.199 32.500 0.026 0.000 0.755 526 K HN 0.740 nan 8.250 nan 0.000 0.465 527 I N -0.820 119.842 120.570 0.152 0.000 2.761 527 I HA -0.207 3.964 4.170 0.001 0.000 0.266 527 I C 0.931 177.109 176.117 0.103 0.000 1.239 527 I CA 1.338 62.703 61.300 0.108 0.000 1.451 527 I CB -0.327 37.675 38.000 0.005 0.000 1.096 527 I HN 0.075 nan 8.210 nan 0.000 0.465 528 N N 1.187 120.007 118.700 0.201 0.000 2.268 528 N HA 0.128 4.869 4.740 0.001 0.000 0.204 528 N C 0.075 175.713 175.510 0.213 0.000 1.124 528 N CA 0.031 53.216 53.050 0.225 0.000 0.838 528 N CB 0.446 39.060 38.487 0.213 0.000 0.994 528 N HN 0.623 nan 8.380 nan 0.000 0.489 529 Q N 0.402 120.339 119.800 0.228 0.000 2.199 529 Q HA 0.105 4.446 4.340 0.001 0.000 0.232 529 Q C -0.367 175.733 176.000 0.167 0.000 0.969 529 Q CA -0.575 55.308 55.803 0.134 0.000 0.925 529 Q CB 1.135 29.875 28.738 0.004 0.000 1.198 529 Q HN 0.062 nan 8.270 nan 0.000 0.494 530 D N 2.124 122.569 120.400 0.076 0.000 2.472 530 D HA -0.032 4.608 4.640 0.001 0.000 0.248 530 D C -1.468 174.851 176.300 0.031 0.000 1.174 530 D CA -1.213 52.831 54.000 0.074 0.000 0.883 530 D CB 0.916 41.733 40.800 0.029 0.000 1.149 530 D HN 0.234 nan 8.370 nan 0.000 0.488 531 P HA -0.164 nan 4.420 nan 0.000 0.221 531 P C 1.032 178.327 177.300 -0.008 0.000 1.145 531 P CA 0.913 64.104 63.100 0.153 0.000 0.795 531 P CB 0.543 32.447 31.700 0.340 0.000 0.775 532 Q N -0.293 119.509 119.800 0.004 0.000 2.096 532 Q HA -0.009 4.332 4.340 0.001 0.000 0.197 532 Q C 2.272 178.239 176.000 -0.055 0.000 0.964 532 Q CA 0.900 56.700 55.803 -0.005 0.000 0.838 532 Q CB -0.973 27.772 28.738 0.012 0.000 0.906 532 Q HN 0.170 nan 8.270 nan 0.000 0.444 533 V N 0.967 120.836 119.914 -0.074 0.000 3.078 533 V HA -0.153 3.967 4.120 0.001 0.000 0.265 533 V C 1.868 177.858 176.094 -0.174 0.000 1.122 533 V CA 1.090 63.332 62.300 -0.097 0.000 1.141 533 V CB -0.342 31.435 31.823 -0.076 0.000 0.735 533 V HN 0.321 nan 8.190 nan 0.000 0.498 534 M N -1.768 117.657 119.600 -0.292 0.000 2.379 534 M HA 0.246 4.727 4.480 0.001 0.000 0.265 534 M C 1.654 177.763 176.300 -0.317 0.000 1.095 534 M CA 0.844 55.887 55.300 -0.428 0.000 1.075 534 M CB 0.263 32.265 32.600 -0.997 0.000 1.443 534 M HN 0.269 nan 8.290 nan 0.000 0.519 535 L N -0.001 121.087 121.223 -0.225 0.000 2.446 535 L HA 0.142 4.482 4.340 0.001 0.000 0.219 535 L C 2.644 179.420 176.870 -0.156 0.000 1.116 535 L CA 0.221 54.962 54.840 -0.165 0.000 0.844 535 L CB -0.557 41.431 42.059 -0.118 0.000 0.970 535 L HN 0.217 nan 8.230 nan 0.000 0.457 536 A N 1.287 124.035 122.820 -0.119 0.000 1.915 536 A HA -0.219 4.101 4.320 0.001 0.000 0.220 536 A C -0.129 177.398 177.584 -0.096 0.000 1.198 536 A CA 2.108 54.090 52.037 -0.092 0.000 0.647 536 A CB -1.801 17.163 19.000 -0.061 0.000 0.825 536 A HN 0.250 nan 8.150 nan 0.000 0.456 537 P HA -0.157 nan 4.420 nan 0.000 0.212 537 P C 1.633 178.844 177.300 -0.149 0.000 1.178 537 P CA 0.922 63.991 63.100 -0.051 0.000 0.915 537 P CB -0.081 31.645 31.700 0.043 0.000 0.788 538 L N -1.129 119.926 121.223 -0.280 0.000 2.079 538 L HA -0.165 4.175 4.340 0.001 0.000 0.210 538 L C 2.347 179.057 176.870 -0.267 0.000 1.081 538 L CA 1.887 56.494 54.840 -0.388 0.000 0.752 538 L CB -1.457 40.355 42.059 -0.412 0.000 0.896 538 L HN 0.040 nan 8.230 nan 0.000 0.433 539 I N -0.598 119.824 120.570 -0.246 0.000 2.315 539 I HA -0.288 3.883 4.170 0.001 0.000 0.248 539 I C 2.679 178.701 176.117 -0.158 0.000 1.117 539 I CA 1.385 62.521 61.300 -0.273 0.000 1.404 539 I CB -0.196 37.611 38.000 -0.321 0.000 1.071 539 I HN 0.323 nan 8.210 nan 0.000 0.419 540 S N 1.101 116.740 115.700 -0.100 0.000 2.371 540 S HA -0.087 4.383 4.470 0.001 0.000 0.224 540 S C 2.041 176.620 174.600 -0.035 0.000 1.029 540 S CA 0.724 58.898 58.200 -0.043 0.000 0.978 540 S CB -0.701 62.488 63.200 -0.018 0.000 0.833 540 S HN 0.391 nan 8.310 nan 0.000 0.466 541 I N 2.345 122.874 120.570 -0.069 0.000 2.264 541 I HA -0.158 4.012 4.170 0.001 0.000 0.248 541 I C 3.079 179.158 176.117 -0.062 0.000 1.111 541 I CA 1.153 62.401 61.300 -0.087 0.000 1.382 541 I CB -0.646 37.228 38.000 -0.209 0.000 1.060 541 I HN 0.462 nan 8.210 nan 0.000 0.418 542 A N 0.929 123.730 122.820 -0.032 0.000 1.902 542 A HA -0.156 4.165 4.320 0.001 0.000 0.217 542 A C 2.293 179.993 177.584 0.193 0.000 1.181 542 A CA 1.392 53.512 52.037 0.139 0.000 0.623 542 A CB -0.788 18.229 19.000 0.029 0.000 0.818 542 A HN 0.365 nan 8.150 nan 0.000 0.443 543 L N -0.948 120.322 121.223 0.079 0.000 2.017 543 L HA -0.196 4.145 4.340 0.001 0.000 0.208 543 L C 2.639 179.521 176.870 0.020 0.000 1.073 543 L CA 1.938 56.810 54.840 0.054 0.000 0.745 543 L CB -0.448 41.633 42.059 0.037 0.000 0.894 543 L HN 0.395 nan 8.230 nan 0.000 0.432 544 K N 0.065 120.480 120.400 0.025 0.000 1.991 544 K HA -0.195 4.125 4.320 0.001 0.000 0.212 544 K C 1.985 178.605 176.600 0.034 0.000 1.049 544 K CA 2.089 58.398 56.287 0.036 0.000 0.932 544 K CB -0.165 32.372 32.500 0.062 0.000 0.717 544 K HN 0.279 nan 8.250 nan 0.000 0.441 545 V N -0.834 119.102 119.914 0.038 0.000 2.759 545 V HA -0.139 3.981 4.120 0.001 0.000 0.256 545 V C 1.834 177.876 176.094 -0.086 0.000 1.080 545 V CA 1.989 64.306 62.300 0.028 0.000 1.101 545 V CB -0.397 31.460 31.823 0.058 0.000 0.698 545 V HN 0.400 nan 8.190 nan 0.000 0.477 546 S N -1.436 114.184 115.700 -0.134 0.000 2.503 546 S HA 0.007 4.478 4.470 0.001 0.000 0.217 546 S C 1.123 175.601 174.600 -0.203 0.000 0.999 546 S CA 0.403 58.426 58.200 -0.295 0.000 0.914 546 S CB -0.267 62.617 63.200 -0.527 0.000 0.782 546 S HN 0.633 nan 8.310 nan 0.000 0.520 547 Q N -0.150 119.581 119.800 -0.116 0.000 2.475 547 Q HA -0.189 4.151 4.340 0.001 0.000 0.280 547 Q C 0.576 176.508 176.000 -0.115 0.000 1.234 547 Q CA 0.796 56.543 55.803 -0.093 0.000 0.873 547 Q CB -2.484 26.199 28.738 -0.092 0.000 1.256 547 Q HN 0.695 nan 8.270 nan 0.000 0.475 548 L N -0.099 121.048 121.223 -0.126 0.000 2.017 548 L HA -0.242 4.098 4.340 0.001 0.000 0.208 548 L C 2.575 179.352 176.870 -0.156 0.000 1.073 548 L CA 2.453 57.193 54.840 -0.167 0.000 0.745 548 L CB -0.115 41.837 42.059 -0.179 0.000 0.894 548 L HN 0.471 nan 8.230 nan 0.000 0.432 549 Q N -0.379 119.361 119.800 -0.101 0.000 2.061 549 Q HA -0.291 4.049 4.340 0.001 0.000 0.204 549 Q C 1.979 177.940 176.000 -0.065 0.000 0.984 549 Q CA 2.214 57.974 55.803 -0.071 0.000 0.846 549 Q CB -0.010 28.711 28.738 -0.029 0.000 0.902 549 Q HN 0.518 nan 8.270 nan 0.000 0.421 550 E N 0.065 120.230 120.200 -0.059 0.000 2.038 550 E HA -0.167 4.184 4.350 0.001 0.000 0.195 550 E C 1.956 178.519 176.600 -0.063 0.000 1.000 550 E CA 1.198 57.567 56.400 -0.052 0.000 0.803 550 E CB -0.045 29.625 29.700 -0.049 0.000 0.750 550 E HN 0.203 nan 8.360 nan 0.000 0.448 551 R N -0.134 120.316 120.500 -0.083 0.000 2.280 551 R HA 0.031 4.372 4.340 0.001 0.000 0.207 551 R C 1.745 177.996 176.300 -0.082 0.000 1.043 551 R CA 1.521 57.571 56.100 -0.084 0.000 1.006 551 R CB -0.496 29.741 30.300 -0.104 0.000 0.885 551 R HN 0.460 nan 8.270 nan 0.000 0.467 552 T N -6.058 108.441 114.554 -0.091 0.000 2.993 552 T HA 0.202 4.553 4.350 0.001 0.000 0.260 552 T C 1.207 175.872 174.700 -0.058 0.000 0.939 552 T CA 0.568 62.618 62.100 -0.085 0.000 0.886 552 T CB 0.697 69.481 68.868 -0.140 0.000 1.209 552 T HN 0.228 nan 8.240 nan 0.000 0.518 553 G N 2.420 111.189 108.800 -0.053 0.000 2.179 553 G HA2 -0.226 3.734 3.960 0.001 0.000 0.257 553 G HA3 -0.226 3.734 3.960 0.001 0.000 0.257 553 G C -0.042 174.847 174.900 -0.018 0.000 1.010 553 G CA -0.166 44.916 45.100 -0.030 0.000 0.736 553 G HN 0.608 nan 8.290 nan 0.000 0.513 554 R N 0.453 120.932 120.500 -0.034 0.000 2.207 554 R HA 0.452 4.793 4.340 0.001 0.000 0.334 554 R C 1.676 178.001 176.300 0.042 0.000 1.013 554 R CA 0.352 56.460 56.100 0.013 0.000 0.858 554 R CB 0.868 31.173 30.300 0.008 0.000 1.094 554 R HN 0.418 nan 8.270 nan 0.000 0.457 555 T N -0.928 113.664 114.554 0.064 0.000 2.978 555 T HA 0.179 4.529 4.350 0.001 0.000 0.262 555 T C 0.925 175.700 174.700 0.126 0.000 1.063 555 T CA 0.489 62.632 62.100 0.072 0.000 1.140 555 T CB 0.325 69.221 68.868 0.046 0.000 0.886 555 T HN 0.502 nan 8.240 nan 0.000 0.470 556 A N 1.543 124.454 122.820 0.153 0.000 2.479 556 A HA 0.811 5.131 4.320 0.001 0.000 0.296 556 A C -3.023 174.673 177.584 0.188 0.000 1.121 556 A CA -2.119 50.013 52.037 0.158 0.000 0.743 556 A CB 0.957 19.985 19.000 0.047 0.000 1.323 556 A HN 0.168 nan 8.150 nan 0.000 0.415 557 P HA 0.412 nan 4.420 nan 0.000 0.276 557 P C 0.541 177.688 177.300 -0.256 0.000 1.252 557 P CA -0.197 62.627 63.100 -0.459 0.000 0.802 557 P CB 0.730 31.945 31.700 -0.808 0.000 1.035 558 T N -0.932 113.482 114.554 -0.234 0.000 2.770 558 T HA 0.046 4.397 4.350 0.001 0.000 0.263 558 T C 0.755 175.350 174.700 -0.175 0.000 1.039 558 T CA 0.992 63.014 62.100 -0.131 0.000 1.142 558 T CB -0.071 68.758 68.868 -0.065 0.000 0.868 558 T HN 0.155 nan 8.240 nan 0.000 0.435 559 V N 1.085 120.860 119.914 -0.231 0.000 2.823 559 V HA 0.533 4.654 4.120 0.001 0.000 0.312 559 V C -0.777 175.115 176.094 -0.336 0.000 1.072 559 V CA -1.020 61.140 62.300 -0.233 0.000 0.937 559 V CB 2.400 34.136 31.823 -0.146 0.000 1.013 559 V HN 0.266 nan 8.190 nan 0.000 0.430 560 I N 2.444 122.822 120.570 -0.320 0.000 2.447 560 I HA 0.504 4.675 4.170 0.001 0.000 0.287 560 I C -0.077 175.928 176.117 -0.188 0.000 1.023 560 I CA 0.005 61.081 61.300 -0.373 0.000 1.083 560 I CB 2.329 40.052 38.000 -0.461 0.000 1.245 560 I HN 0.628 nan 8.210 nan 0.000 0.434 561 T N 0.000 114.510 114.554 -0.073 0.000 3.816 561 T HA 0.000 4.350 4.350 0.001 0.000 0.228 561 T CA 0.000 62.127 62.100 0.046 0.000 1.349 561 T CB 0.000 68.988 68.868 0.200 0.000 0.612 561 T HN 0.000 nan 8.240 nan 0.000 0.658