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 3k59_1_A DATA FIRST_RESID -1 DATA SEQUENCE PHMAQAGFIL TRHWRDTPQG TEVSFWLATD NGPLQVTLAP QESVAFIPAD DATA SEQUENCE QVPRAQHILQ GEQGFRLTPL ALKDFHRQPV YGLYCRAHRQ LMNYEKRLRE DATA SEQUENCE GGVTVYEADV RPPERYLMER FITSPVWVEG DMHNGTIVNA RLKPHPDYRP DATA SEQUENCE PLKWVSIDIE TTRHGELYCI GLEGCGQRIV YMLGPENGDA SSLDFELEYV DATA SEQUENCE ASRPQLLEKL NAWFANYDPD VIIGWNVVQF DLRMLQKHAE RYRLPLRLGR DATA SEQUENCE DNSELEWREH GFKNGVFFAQ AKGRLIIDGI EALKSAFWNF SSFSLETVAQ DATA SEQUENCE ELLGEGKSXD NPWDRMDEID RRFAEDKPAL ATYNLKNCEL VTQIFHKTEI DATA SEQUENCE MPFLLERATV NGLPVDRHGG SVAAFGHLYF PRMHRAGYVA PNLGEVPPHA DATA SEQUENCE SPGGYVMDSR PGLYDSVLVL DYKSLYPSII RTFLIDPVGL VEGMAQPDPE DATA SEQUENCE HSTEGFLDAW FSREKHCLPE IVTNIWHGRD EAKRQGNKPL SQALKIIMNA DATA SEQUENCE FYGVLGTTAC RFFDPRLASS ITMRGHQIMR QTKALIEAQG YDVIYGDTDS DATA SEQUENCE TFVWLKGAHS EEEAAKIGRA LVQHVNAWWA ETLQKQRLTS ALELEYETHF DATA SEQUENCE CRFLMPTIRG ADTGSKKRYA GLIQEGDKQR MVFKGLETVR TDWTPLAQQF DATA SEQUENCE QQELYLRIFR NEPYQEYVRE TIDKLMAGEL DARLVYRKRL RRPLSEYQRN DATA SEQUENCE VPPHVRAARL ADEENQKRGR PLQYQNRGTI KYVWTTNGPE PLDYQRSPLD DATA SEQUENCE YEHYLTRQLQ PVAEGILPFI EDNFATLMTG QL 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 P HA 0.000 nan 4.420 nan 0.000 0.216 -1 P C 0.000 177.343 177.300 0.072 0.000 1.155 -1 P CA 0.000 63.143 63.100 0.072 0.000 0.800 -1 P CB 0.000 31.751 31.700 0.084 0.000 0.726 0 H N 1.107 120.189 119.070 0.020 0.000 3.070 0 H HA 0.437 4.141 4.556 -1.420 0.000 0.313 0 H C -0.048 175.291 175.328 0.019 0.000 0.997 0 H CA 0.895 56.954 56.048 0.017 0.000 1.438 0 H CB 0.042 29.809 29.762 0.010 0.000 1.455 0 H HN 0.157 nan 8.280 nan 0.000 0.575 1 M N 2.939 122.402 119.600 -0.228 0.000 2.644 1 M HA 0.716 4.344 4.480 -1.420 0.000 0.273 1 M C -1.850 174.379 176.300 -0.118 0.000 1.253 1 M CA -0.977 54.272 55.300 -0.086 0.000 0.852 1 M CB 1.290 33.863 32.600 -0.044 0.000 1.708 1 M HN 0.427 nan 8.290 nan 0.000 0.471 2 A N 0.888 123.698 122.820 -0.016 0.000 2.414 2 A HA 0.929 4.397 4.320 -1.420 0.000 0.306 2 A C -1.357 176.299 177.584 0.121 0.000 1.054 2 A CA -0.400 51.653 52.037 0.027 0.000 0.724 2 A CB 1.751 20.746 19.000 -0.009 0.000 1.267 2 A HN 1.025 nan 8.150 nan 0.000 0.418 3 Q N 0.747 120.678 119.800 0.218 0.000 2.472 3 Q HA 0.652 4.141 4.340 -1.420 0.000 0.281 3 Q C -1.126 175.003 176.000 0.216 0.000 0.997 3 Q CA -0.620 55.320 55.803 0.228 0.000 0.828 3 Q CB 2.112 30.896 28.738 0.076 0.000 1.443 3 Q HN 1.402 nan 8.270 nan 0.000 0.390 4 A N 0.882 123.642 122.820 -0.099 0.000 2.327 4 A HA 0.883 4.352 4.320 -1.420 0.000 0.283 4 A C -0.065 177.051 177.584 -0.780 0.000 1.127 4 A CA 0.535 52.151 52.037 -0.700 0.000 0.810 4 A CB 0.897 19.172 19.000 -1.207 0.000 1.066 4 A HN 0.767 nan 8.150 nan 0.000 0.492 5 G N -0.699 107.683 108.800 -0.697 0.000 2.649 5 G HA2 0.559 3.667 3.960 -1.420 0.000 0.290 5 G HA3 0.559 3.667 3.960 -1.420 0.000 0.290 5 G C -1.812 173.178 174.900 0.151 0.000 1.426 5 G CA -0.463 44.499 45.100 -0.230 0.000 0.794 5 G HN 0.837 nan 8.290 nan 0.000 0.483 6 F N 0.822 120.888 119.950 0.192 0.000 2.536 6 F HA 0.591 4.266 4.527 -1.420 0.000 0.322 6 F C 0.132 176.011 175.800 0.131 0.000 1.144 6 F CA -0.956 57.147 58.000 0.171 0.000 0.924 6 F CB 1.374 40.482 39.000 0.179 0.000 1.181 6 F HN 0.358 nan 8.300 nan 0.000 0.438 7 I N 7.408 127.929 120.570 -0.082 0.000 2.668 7 I HA -0.056 3.262 4.170 -1.420 0.000 0.285 7 I C 0.585 176.853 176.117 0.252 0.000 1.168 7 I CA 0.554 61.899 61.300 0.075 0.000 1.424 7 I CB 0.685 38.647 38.000 -0.063 0.000 1.377 7 I HN 0.776 nan 8.210 nan 0.000 0.560 8 L N 4.636 126.056 121.223 0.328 0.000 2.347 8 L HA 0.149 3.637 4.340 -1.420 0.000 0.196 8 L C 0.911 177.920 176.870 0.232 0.000 1.072 8 L CA 0.572 55.595 54.840 0.304 0.000 0.817 8 L CB -0.061 42.180 42.059 0.304 0.000 1.029 8 L HN 0.731 nan 8.230 nan 0.000 0.478 9 T N -1.419 113.314 114.554 0.297 0.000 2.906 9 T HA 0.620 4.118 4.350 -1.420 0.000 0.295 9 T C -0.571 174.212 174.700 0.138 0.000 1.061 9 T CA -0.814 61.386 62.100 0.165 0.000 1.000 9 T CB 2.632 71.596 68.868 0.161 0.000 1.103 9 T HN 0.011 nan 8.240 nan 0.000 0.486 10 R N 1.342 121.719 120.500 -0.206 0.000 2.562 10 R HA 0.668 4.156 4.340 -1.420 0.000 0.298 10 R C -0.584 175.319 176.300 -0.661 0.000 0.961 10 R CA -0.957 55.024 56.100 -0.198 0.000 0.881 10 R CB 1.364 31.709 30.300 0.075 0.000 1.159 10 R HN 0.694 nan 8.270 nan 0.000 0.450 11 H N 2.152 121.151 119.070 -0.118 0.000 2.961 11 H HA 0.400 4.104 4.556 -1.419 0.000 0.371 11 H C -1.000 174.316 175.328 -0.021 0.000 1.190 11 H CA -0.793 55.216 56.048 -0.064 0.000 1.138 11 H CB 2.612 32.351 29.762 -0.039 0.000 1.816 11 H HN 0.722 nan 8.280 nan 0.000 0.551 12 W N 1.238 122.527 121.300 -0.020 0.000 3.213 12 W HA 0.607 4.416 4.660 -1.419 0.000 0.318 12 W C -1.727 174.779 176.519 -0.022 0.000 1.248 12 W CA -0.994 56.311 57.345 -0.066 0.000 1.187 12 W CB 2.175 31.564 29.460 -0.118 0.000 1.403 12 W HN 0.780 nan 8.180 nan 0.000 0.556 13 R N 1.290 121.875 120.500 0.142 0.000 2.604 13 R HA 0.315 3.803 4.340 -1.420 0.000 0.261 13 R C -1.566 174.851 176.300 0.194 0.000 1.080 13 R CA -0.685 55.390 56.100 -0.040 0.000 0.917 13 R CB 1.799 32.025 30.300 -0.124 0.000 1.252 13 R HN 0.188 nan 8.270 nan 0.000 0.456 14 D N 2.231 122.762 120.400 0.219 0.000 2.341 14 D HA 0.332 4.120 4.640 -1.420 0.000 0.245 14 D C 0.004 176.363 176.300 0.099 0.000 1.106 14 D CA 0.550 54.671 54.000 0.202 0.000 0.905 14 D CB 1.890 42.820 40.800 0.217 0.000 1.202 14 D HN 0.683 nan 8.370 nan 0.000 0.426 15 T N -2.027 112.578 114.554 0.084 0.000 2.812 15 T HA 0.465 3.963 4.350 -1.420 0.000 0.294 15 T C -2.285 172.445 174.700 0.050 0.000 1.159 15 T CA -1.458 60.674 62.100 0.053 0.000 1.008 15 T CB 1.619 70.512 68.868 0.042 0.000 1.289 15 T HN -0.104 nan 8.240 nan 0.000 0.514 16 P HA 0.029 nan 4.420 nan 0.000 0.218 16 P C 1.027 178.349 177.300 0.036 0.000 1.149 16 P CA 0.924 64.046 63.100 0.036 0.000 0.817 16 P CB 0.037 31.755 31.700 0.029 0.000 0.785 17 Q N -1.080 118.741 119.800 0.035 0.000 2.403 17 Q HA 0.377 3.865 4.340 -1.420 0.000 0.203 17 Q C 0.937 176.960 176.000 0.038 0.000 0.932 17 Q CA 0.520 56.342 55.803 0.032 0.000 0.945 17 Q CB 0.060 28.814 28.738 0.025 0.000 1.045 17 Q HN 0.194 nan 8.270 nan 0.000 0.511 18 G N -1.235 107.595 108.800 0.049 0.000 2.354 18 G HA2 -0.081 3.027 3.960 -1.420 0.000 0.582 18 G HA3 -0.081 3.027 3.960 -1.420 0.000 0.582 18 G C -0.946 174.000 174.900 0.076 0.000 1.316 18 G CA -0.936 44.200 45.100 0.059 0.000 0.995 18 G HN -0.128 nan 8.290 nan 0.000 0.573 19 T N 1.650 116.258 114.554 0.089 0.000 2.737 19 T HA 0.432 3.930 4.350 -1.420 0.000 0.296 19 T C 0.294 175.051 174.700 0.096 0.000 0.922 19 T CA 0.120 62.295 62.100 0.125 0.000 1.079 19 T CB 1.098 70.045 68.868 0.131 0.000 0.892 19 T HN 0.466 nan 8.240 nan 0.000 0.514 20 E N 2.679 122.941 120.200 0.104 0.000 2.259 20 E HA 0.347 3.845 4.350 -1.420 0.000 0.281 20 E C -0.802 175.831 176.600 0.055 0.000 1.037 20 E CA -0.352 56.081 56.400 0.054 0.000 0.854 20 E CB 0.923 30.645 29.700 0.037 0.000 1.051 20 E HN 0.301 nan 8.360 nan 0.000 0.409 21 V N 3.274 123.170 119.914 -0.030 0.000 2.495 21 V HA 0.392 3.660 4.120 -1.420 0.000 0.298 21 V C -0.183 175.752 176.094 -0.265 0.000 1.031 21 V CA -0.499 61.723 62.300 -0.130 0.000 0.871 21 V CB 1.755 33.474 31.823 -0.173 0.000 0.988 21 V HN 0.771 nan 8.190 nan 0.000 0.432 22 S N 3.665 119.122 115.700 -0.405 0.000 2.588 22 S HA 0.902 4.520 4.470 -1.420 0.000 0.275 22 S C -1.347 172.896 174.600 -0.595 0.000 1.130 22 S CA -0.688 57.288 58.200 -0.373 0.000 0.855 22 S CB 2.106 65.221 63.200 -0.143 0.000 1.116 22 S HN 0.315 nan 8.310 nan 0.000 0.472 23 F N -0.575 119.420 119.950 0.075 0.000 2.588 23 F HA 0.636 4.311 4.527 -1.420 0.000 0.310 23 F C -1.322 174.502 175.800 0.040 0.000 1.082 23 F CA -0.748 57.347 58.000 0.157 0.000 0.929 23 F CB 1.500 40.555 39.000 0.091 0.000 1.254 23 F HN 0.638 nan 8.300 nan 0.000 0.455 24 W N 3.948 125.467 121.300 0.364 0.000 2.417 24 W HA 0.762 4.569 4.660 -1.421 0.000 0.315 24 W C -1.163 175.497 176.519 0.234 0.000 1.045 24 W CA -0.464 57.031 57.345 0.251 0.000 1.221 24 W CB 1.354 30.951 29.460 0.229 0.000 1.309 24 W HN 0.176 nan 8.180 nan 0.000 0.453 25 L N 3.448 124.873 121.223 0.336 0.000 2.334 25 L HA 0.852 4.340 4.340 -1.420 0.000 0.273 25 L C 0.275 177.322 176.870 0.295 0.000 1.013 25 L CA -1.445 53.564 54.840 0.281 0.000 0.816 25 L CB 1.378 43.536 42.059 0.165 0.000 1.278 25 L HN 0.421 nan 8.230 nan 0.000 0.431 26 A N 1.235 124.246 122.820 0.318 0.000 2.274 26 A HA 0.713 4.181 4.320 -1.420 0.000 0.309 26 A C -0.002 177.756 177.584 0.291 0.000 1.226 26 A CA -0.299 51.908 52.037 0.282 0.000 0.853 26 A CB 0.803 19.959 19.000 0.260 0.000 1.146 26 A HN 0.775 nan 8.150 nan 0.000 0.518 27 T N -1.312 113.374 114.554 0.220 0.000 2.888 27 T HA 0.450 3.948 4.350 -1.420 0.000 0.288 27 T C 0.021 174.839 174.700 0.196 0.000 1.063 27 T CA -0.432 61.779 62.100 0.185 0.000 1.010 27 T CB 1.185 70.095 68.868 0.071 0.000 1.214 27 T HN 0.289 nan 8.240 nan 0.000 0.533 28 D N 0.372 120.881 120.400 0.181 0.000 2.263 28 D HA -0.022 3.766 4.640 -1.420 0.000 0.208 28 D C 0.958 177.316 176.300 0.097 0.000 0.971 28 D CA 1.229 55.320 54.000 0.151 0.000 0.867 28 D CB -0.273 40.609 40.800 0.137 0.000 0.929 28 D HN 0.646 nan 8.370 nan 0.000 0.492 29 N N -0.286 118.465 118.700 0.084 0.000 2.273 29 N HA 0.393 4.281 4.740 -1.420 0.000 0.231 29 N C 0.466 176.020 175.510 0.073 0.000 1.134 29 N CA 0.166 53.256 53.050 0.067 0.000 0.856 29 N CB 1.390 39.909 38.487 0.053 0.000 1.068 29 N HN 0.107 nan 8.380 nan 0.000 0.510 30 G N 1.144 110.001 108.800 0.094 0.000 2.526 30 G HA2 -0.161 2.947 3.960 -1.420 0.000 0.250 30 G HA3 -0.161 2.947 3.960 -1.420 0.000 0.250 30 G C -3.009 171.976 174.900 0.142 0.000 1.289 30 G CA -1.162 44.002 45.100 0.106 0.000 0.947 30 G HN -0.020 nan 8.290 nan 0.000 0.517 31 P HA 0.518 nan 4.420 nan 0.000 0.271 31 P C -0.788 176.641 177.300 0.214 0.000 1.218 31 P CA 0.013 63.273 63.100 0.266 0.000 0.780 31 P CB 1.630 33.544 31.700 0.357 0.000 0.901 32 L N 2.046 123.375 121.223 0.177 0.000 2.482 32 L HA 0.367 3.855 4.340 -1.420 0.000 0.269 32 L C -0.384 176.344 176.870 -0.236 0.000 0.967 32 L CA -0.602 54.236 54.840 -0.004 0.000 0.851 32 L CB 1.875 43.943 42.059 0.014 0.000 1.242 32 L HN 0.352 nan 8.230 nan 0.000 0.404 33 Q N 3.209 122.657 119.800 -0.587 0.000 2.261 33 Q HA 0.649 4.137 4.340 -1.420 0.000 0.252 33 Q C -1.620 174.120 176.000 -0.433 0.000 0.915 33 Q CA -0.480 54.723 55.803 -1.000 0.000 0.915 33 Q CB 1.462 29.395 28.738 -1.341 0.000 1.204 33 Q HN 0.630 nan 8.270 nan 0.000 0.421 34 V N 3.499 123.233 119.914 -0.300 0.000 2.531 34 V HA 0.435 3.703 4.120 -1.420 0.000 0.301 34 V C -0.674 175.387 176.094 -0.055 0.000 1.034 34 V CA -0.574 61.674 62.300 -0.088 0.000 0.865 34 V CB 2.230 34.083 31.823 0.050 0.000 0.995 34 V HN 0.869 nan 8.190 nan 0.000 0.424 35 T N 6.093 120.617 114.554 -0.049 0.000 2.824 35 T HA 0.650 4.148 4.350 -1.420 0.000 0.282 35 T C -0.260 174.422 174.700 -0.031 0.000 0.993 35 T CA -0.381 61.687 62.100 -0.053 0.000 0.967 35 T CB 1.260 70.093 68.868 -0.058 0.000 0.960 35 T HN 0.335 nan 8.240 nan 0.000 0.441 36 L N 1.723 122.911 121.223 -0.059 0.000 2.469 36 L HA 0.744 4.232 4.340 -1.420 0.000 0.253 36 L C 1.041 177.888 176.870 -0.039 0.000 1.143 36 L CA -1.185 53.611 54.840 -0.073 0.000 0.804 36 L CB 0.343 42.288 42.059 -0.189 0.000 1.214 36 L HN 0.673 nan 8.230 nan 0.000 0.476 37 A N 0.643 123.452 122.820 -0.017 0.000 2.313 37 A HA 0.499 3.967 4.320 -1.420 0.000 0.261 37 A C -2.317 175.270 177.584 0.006 0.000 1.090 37 A CA -1.257 50.783 52.037 0.005 0.000 0.807 37 A CB -0.567 18.447 19.000 0.024 0.000 1.055 37 A HN 0.447 nan 8.150 nan 0.000 0.492 38 P HA 0.092 nan 4.420 nan 0.000 0.264 38 P C -0.893 176.433 177.300 0.043 0.000 1.183 38 P CA 0.450 63.569 63.100 0.032 0.000 0.763 38 P CB 0.336 32.058 31.700 0.037 0.000 0.807 39 Q N 2.124 121.954 119.800 0.050 0.000 2.333 39 Q HA 0.291 3.779 4.340 -1.420 0.000 0.267 39 Q C -0.055 175.993 176.000 0.081 0.000 1.012 39 Q CA -0.504 55.342 55.803 0.072 0.000 0.824 39 Q CB 1.979 30.756 28.738 0.066 0.000 1.290 39 Q HN 0.480 nan 8.270 nan 0.000 0.449 40 E N 0.789 121.055 120.200 0.109 0.000 2.373 40 E HA 0.262 3.760 4.350 -1.420 0.000 0.263 40 E C -0.517 176.155 176.600 0.121 0.000 1.073 40 E CA -0.062 56.418 56.400 0.133 0.000 0.894 40 E CB 0.924 30.745 29.700 0.202 0.000 1.008 40 E HN 0.347 nan 8.360 nan 0.000 0.420 41 S N 1.121 116.875 115.700 0.090 0.000 2.489 41 S HA 0.375 3.993 4.470 -1.420 0.000 0.291 41 S C -0.790 173.778 174.600 -0.053 0.000 1.151 41 S CA -0.684 57.542 58.200 0.043 0.000 1.082 41 S CB 1.560 64.800 63.200 0.068 0.000 1.019 41 S HN 0.291 nan 8.310 nan 0.000 0.492 42 V N 2.152 121.968 119.914 -0.163 0.000 2.823 42 V HA 0.965 4.233 4.120 -1.420 0.000 0.312 42 V C -0.627 175.126 176.094 -0.568 0.000 1.072 42 V CA -0.415 61.603 62.300 -0.470 0.000 0.937 42 V CB 1.710 33.138 31.823 -0.658 0.000 1.013 42 V HN 1.059 nan 8.190 nan 0.000 0.430 43 A N 4.614 126.978 122.820 -0.760 0.000 2.569 43 A HA 0.977 4.445 4.320 -1.420 0.000 0.290 43 A C -1.742 175.297 177.584 -0.907 0.000 1.136 43 A CA -0.573 51.056 52.037 -0.680 0.000 0.710 43 A CB 1.694 20.537 19.000 -0.262 0.000 1.303 43 A HN 0.779 nan 8.150 nan 0.000 0.413 44 F N -0.535 119.464 119.950 0.081 0.000 2.563 44 F HA 0.771 4.448 4.527 -1.416 0.000 0.316 44 F C -0.157 175.735 175.800 0.154 0.000 1.076 44 F CA -0.569 57.519 58.000 0.146 0.000 0.921 44 F CB 1.994 41.129 39.000 0.226 0.000 1.209 44 F HN 0.336 nan 8.300 nan 0.000 0.462 45 I N 2.508 123.277 120.570 0.331 0.000 2.582 45 I HA 0.387 3.705 4.170 -1.420 0.000 0.292 45 I C -2.698 173.559 176.117 0.234 0.000 1.066 45 I CA -2.441 58.958 61.300 0.165 0.000 1.053 45 I CB 2.672 40.706 38.000 0.057 0.000 1.241 45 I HN 0.238 nan 8.210 nan 0.000 0.421 46 P HA 0.036 nan 4.420 nan 0.000 0.268 46 P C 0.388 177.745 177.300 0.096 0.000 1.204 46 P CA 0.100 63.316 63.100 0.194 0.000 0.768 46 P CB 0.947 32.732 31.700 0.142 0.000 0.842 47 A N 4.339 127.247 122.820 0.147 0.000 1.917 47 A HA -0.235 3.233 4.320 -1.420 0.000 0.219 47 A C 1.678 179.205 177.584 -0.094 0.000 1.182 47 A CA 2.172 54.221 52.037 0.020 0.000 0.633 47 A CB -1.274 17.879 19.000 0.255 0.000 0.819 47 A HN 0.639 nan 8.150 nan 0.000 0.448 48 D N -0.483 119.905 120.400 -0.020 0.000 2.350 48 D HA -0.161 3.627 4.640 -1.420 0.000 0.216 48 D C 1.447 177.696 176.300 -0.084 0.000 0.968 48 D CA 1.181 55.155 54.000 -0.045 0.000 0.894 48 D CB -0.568 40.225 40.800 -0.012 0.000 0.909 48 D HN 0.653 nan 8.370 nan 0.000 0.520 49 Q N -0.126 119.617 119.800 -0.094 0.000 2.282 49 Q HA 0.165 3.653 4.340 -1.420 0.000 0.206 49 Q C 1.879 177.782 176.000 -0.161 0.000 0.878 49 Q CA -0.172 55.562 55.803 -0.116 0.000 0.944 49 Q CB 1.007 29.690 28.738 -0.091 0.000 1.100 49 Q HN 0.137 nan 8.270 nan 0.000 0.509 50 V N 1.609 121.390 119.914 -0.221 0.000 2.407 50 V HA -0.178 3.090 4.120 -1.420 0.000 0.248 50 V C -0.819 175.147 176.094 -0.214 0.000 1.055 50 V CA 1.846 63.983 62.300 -0.272 0.000 1.049 50 V CB -1.143 30.352 31.823 -0.546 0.000 0.662 50 V HN 0.236 nan 8.190 nan 0.000 0.455 51 P HA -0.178 nan 4.420 nan 0.000 0.215 51 P C 1.790 178.829 177.300 -0.436 0.000 1.157 51 P CA 1.477 64.422 63.100 -0.258 0.000 0.868 51 P CB -0.099 31.463 31.700 -0.229 0.000 0.788 52 R N -0.115 120.161 120.500 -0.373 0.000 2.096 52 R HA -0.092 3.396 4.340 -1.420 0.000 0.235 52 R C 2.052 178.229 176.300 -0.205 0.000 1.127 52 R CA 1.608 57.492 56.100 -0.360 0.000 0.968 52 R CB -0.855 29.319 30.300 -0.210 0.000 0.861 52 R HN 0.038 nan 8.270 nan 0.000 0.440 53 A N 0.818 123.541 122.820 -0.161 0.000 1.908 53 A HA -0.215 3.253 4.320 -1.420 0.000 0.218 53 A C 2.040 179.577 177.584 -0.077 0.000 1.181 53 A CA 1.515 53.481 52.037 -0.119 0.000 0.627 53 A CB -0.462 18.474 19.000 -0.106 0.000 0.818 53 A HN 0.522 nan 8.150 nan 0.000 0.445 54 Q N -1.265 118.512 119.800 -0.038 0.000 2.167 54 Q HA -0.173 3.315 4.340 -1.420 0.000 0.202 54 Q C 1.878 177.965 176.000 0.145 0.000 0.970 54 Q CA 1.513 57.358 55.803 0.071 0.000 0.855 54 Q CB -0.276 28.515 28.738 0.089 0.000 0.911 54 Q HN 0.880 nan 8.270 nan 0.000 0.438 55 H N -0.121 118.923 119.070 -0.044 0.000 2.357 55 H HA -0.057 3.648 4.556 -1.419 0.000 0.301 55 H C 2.097 177.385 175.328 -0.067 0.000 1.082 55 H CA 0.796 56.818 56.048 -0.045 0.000 1.342 55 H CB 0.176 29.912 29.762 -0.042 0.000 1.389 55 H HN 0.204 nan 8.280 nan 0.000 0.511 56 I N 0.993 121.589 120.570 0.043 0.000 2.286 56 I HA -0.229 3.089 4.170 -1.420 0.000 0.248 56 I C 1.500 177.538 176.117 -0.132 0.000 1.115 56 I CA 1.187 62.454 61.300 -0.055 0.000 1.392 56 I CB -0.071 37.868 38.000 -0.102 0.000 1.065 56 I HN 0.252 nan 8.210 nan 0.000 0.418 57 L N 0.505 121.623 121.223 -0.175 0.000 2.629 57 L HA 0.071 3.559 4.340 -1.420 0.000 0.230 57 L C 0.761 177.571 176.870 -0.100 0.000 1.151 57 L CA -0.299 54.361 54.840 -0.299 0.000 0.924 57 L CB -0.397 41.323 42.059 -0.564 0.000 1.137 57 L HN 0.193 nan 8.230 nan 0.000 0.457 58 Q N 1.191 120.975 119.800 -0.026 0.000 2.263 58 Q HA 0.226 3.714 4.340 -1.420 0.000 0.289 58 Q C 1.153 177.161 176.000 0.013 0.000 1.061 58 Q CA 1.319 57.132 55.803 0.016 0.000 0.927 58 Q CB 0.575 29.310 28.738 -0.006 0.000 1.154 58 Q HN 0.383 nan 8.270 nan 0.000 0.378 59 G N 2.966 111.796 108.800 0.050 0.000 2.213 59 G HA2 -0.194 2.914 3.960 -1.420 0.000 0.236 59 G HA3 -0.194 2.914 3.960 -1.420 0.000 0.236 59 G C -0.158 174.794 174.900 0.086 0.000 0.991 59 G CA 0.082 45.214 45.100 0.052 0.000 0.629 59 G HN 0.592 nan 8.290 nan 0.000 0.517 60 E N 0.746 121.014 120.200 0.113 0.000 2.349 60 E HA 0.571 4.069 4.350 -1.420 0.000 0.262 60 E C 0.495 177.307 176.600 0.352 0.000 1.088 60 E CA 0.108 56.615 56.400 0.178 0.000 0.899 60 E CB 0.902 30.594 29.700 -0.013 0.000 1.044 60 E HN 0.647 nan 8.360 nan 0.000 0.420 61 Q N -1.127 118.886 119.800 0.355 0.000 2.605 61 Q HA 0.526 4.014 4.340 -1.420 0.000 0.296 61 Q C -0.066 176.152 176.000 0.364 0.000 1.056 61 Q CA -0.706 55.281 55.803 0.306 0.000 0.778 61 Q CB 2.149 30.980 28.738 0.156 0.000 1.497 61 Q HN 0.748 nan 8.270 nan 0.000 0.443 62 G N 0.952 109.886 108.800 0.223 0.000 2.225 62 G HA2 -0.244 2.864 3.960 -1.420 0.000 0.264 62 G HA3 -0.244 2.864 3.960 -1.420 0.000 0.264 62 G C -0.527 174.566 174.900 0.321 0.000 1.060 62 G CA 0.851 46.073 45.100 0.204 0.000 0.833 62 G HN 0.532 nan 8.290 nan 0.000 0.498 63 F N -1.812 118.218 119.950 0.134 0.000 2.741 63 F HA 0.906 4.581 4.527 -1.420 0.000 0.313 63 F C -0.685 175.199 175.800 0.141 0.000 1.153 63 F CA -1.261 56.840 58.000 0.167 0.000 0.931 63 F CB 1.056 40.217 39.000 0.268 0.000 1.335 63 F HN 0.508 nan 8.300 nan 0.000 0.460 64 R N 1.797 122.352 120.500 0.091 0.000 2.680 64 R HA 0.770 4.258 4.340 -1.420 0.000 0.269 64 R C -2.572 173.905 176.300 0.296 0.000 1.026 64 R CA -1.105 54.960 56.100 -0.059 0.000 0.889 64 R CB 2.047 32.333 30.300 -0.024 0.000 1.241 64 R HN 0.918 nan 8.270 nan 0.000 0.463 65 L N 2.253 123.622 121.223 0.243 0.000 2.342 65 L HA 0.501 3.989 4.340 -1.420 0.000 0.276 65 L C -0.726 176.370 176.870 0.377 0.000 0.997 65 L CA -0.538 54.525 54.840 0.370 0.000 0.838 65 L CB 2.218 44.486 42.059 0.350 0.000 1.224 65 L HN 0.972 nan 8.230 nan 0.000 0.416 66 T N 1.111 115.879 114.554 0.357 0.000 2.876 66 T HA 0.608 4.106 4.350 -1.420 0.000 0.289 66 T C -2.869 171.720 174.700 -0.186 0.000 1.014 66 T CA -2.283 59.895 62.100 0.130 0.000 0.986 66 T CB 2.277 71.204 68.868 0.097 0.000 1.021 66 T HN 0.170 nan 8.240 nan 0.000 0.458 67 P HA 0.361 nan 4.420 nan 0.000 0.271 67 P C -0.862 176.252 177.300 -0.310 0.000 1.216 67 P CA -0.392 62.150 63.100 -0.930 0.000 0.771 67 P CB 0.750 31.955 31.700 -0.824 0.000 0.864 68 L N 1.624 122.733 121.223 -0.191 0.000 2.309 68 L HA 0.614 4.102 4.340 -1.420 0.000 0.261 68 L C 0.723 177.547 176.870 -0.077 0.000 1.021 68 L CA -1.295 53.509 54.840 -0.061 0.000 0.823 68 L CB 1.922 44.004 42.059 0.038 0.000 1.366 68 L HN 0.227 nan 8.230 nan 0.000 0.423 69 A N 2.921 125.698 122.820 -0.071 0.000 3.135 69 A HA 0.625 4.093 4.320 -1.420 0.000 0.253 69 A C -0.392 177.115 177.584 -0.128 0.000 1.638 69 A CA 0.055 52.038 52.037 -0.090 0.000 1.295 69 A CB -0.805 18.148 19.000 -0.077 0.000 1.106 69 A HN 0.493 nan 8.150 nan 0.000 0.648 70 L N -0.394 120.745 121.223 -0.140 0.000 2.376 70 L HA 0.601 4.089 4.340 -1.420 0.000 0.258 70 L C -0.263 176.494 176.870 -0.188 0.000 1.013 70 L CA -0.784 53.929 54.840 -0.211 0.000 0.822 70 L CB 2.593 44.501 42.059 -0.251 0.000 1.388 70 L HN 0.297 nan 8.230 nan 0.000 0.413 71 K N 0.057 120.297 120.400 -0.266 0.000 2.444 71 K HA 0.444 3.912 4.320 -1.420 0.000 0.252 71 K C -1.611 175.012 176.600 0.038 0.000 0.993 71 K CA -1.006 55.205 56.287 -0.126 0.000 0.847 71 K CB 2.204 34.579 32.500 -0.209 0.000 1.340 71 K HN 0.625 nan 8.250 nan 0.000 0.446 72 D N -0.448 120.040 120.400 0.147 0.000 2.466 72 D HA 0.091 3.879 4.640 -1.420 0.000 0.262 72 D C 0.579 177.115 176.300 0.394 0.000 1.177 72 D CA -0.462 53.629 54.000 0.151 0.000 1.035 72 D CB 0.235 41.064 40.800 0.049 0.000 1.105 72 D HN 0.278 nan 8.370 nan 0.000 0.551 73 F N -1.109 118.833 119.950 -0.014 0.000 2.641 73 F HA -0.006 3.668 4.527 -1.421 0.000 0.298 73 F C 1.495 177.189 175.800 -0.178 0.000 1.146 73 F CA 0.691 58.620 58.000 -0.120 0.000 1.464 73 F CB -0.634 38.246 39.000 -0.199 0.000 1.101 73 F HN 0.421 nan 8.300 nan 0.000 0.585 74 H N -0.856 118.344 119.070 0.217 0.000 2.529 74 H HA 0.272 3.983 4.556 -1.409 0.000 0.277 74 H C 0.601 176.003 175.328 0.123 0.000 1.004 74 H CA -0.030 56.107 56.048 0.148 0.000 1.167 74 H CB 0.083 29.936 29.762 0.152 0.000 1.445 74 H HN -0.026 nan 8.280 nan 0.000 0.554 75 R N -0.364 120.273 120.500 0.229 0.000 3.878 75 R HA -0.209 3.279 4.340 -1.420 0.000 0.330 75 R C -0.160 176.223 176.300 0.139 0.000 1.186 75 R CA 0.449 56.660 56.100 0.185 0.000 0.885 75 R CB -1.738 28.635 30.300 0.122 0.000 1.377 75 R HN 0.312 nan 8.270 nan 0.000 0.523 76 Q N 1.288 121.194 119.800 0.177 0.000 2.256 76 Q HA 0.353 3.841 4.340 -1.420 0.000 0.254 76 Q C -2.447 173.631 176.000 0.130 0.000 0.916 76 Q CA -2.300 53.590 55.803 0.146 0.000 0.932 76 Q CB 1.218 30.059 28.738 0.172 0.000 1.207 76 Q HN -0.150 nan 8.270 nan 0.000 0.426 77 P HA -0.015 nan 4.420 nan 0.000 0.267 77 P C -1.198 176.212 177.300 0.183 0.000 1.200 77 P CA -0.082 63.076 63.100 0.097 0.000 0.772 77 P CB 0.655 32.411 31.700 0.094 0.000 0.855 78 V N 0.468 120.492 119.914 0.183 0.000 3.046 78 V HA 0.579 3.847 4.120 -1.420 0.000 0.316 78 V C -1.204 175.109 176.094 0.366 0.000 1.104 78 V CA -1.035 61.450 62.300 0.309 0.000 1.006 78 V CB 1.709 33.708 31.823 0.295 0.000 1.058 78 V HN 0.357 nan 8.190 nan 0.000 0.440 79 Y N 0.173 120.589 120.300 0.193 0.000 2.446 79 Y HA 0.749 4.446 4.550 -1.421 0.000 0.338 79 Y C 0.958 177.002 175.900 0.239 0.000 1.055 79 Y CA -0.385 57.829 58.100 0.189 0.000 1.101 79 Y CB 2.418 40.963 38.460 0.141 0.000 1.221 79 Y HN 1.005 nan 8.280 nan 0.000 0.460 80 G N 2.438 111.431 108.800 0.322 0.000 2.338 80 G HA2 0.438 3.546 3.960 -1.420 0.000 0.298 80 G HA3 0.438 3.546 3.960 -1.420 0.000 0.298 80 G C -1.744 173.142 174.900 -0.023 0.000 1.140 80 G CA -0.466 44.663 45.100 0.049 0.000 0.860 80 G HN 0.451 nan 8.290 nan 0.000 0.470 81 L N 3.157 124.236 121.223 -0.240 0.000 2.264 81 L HA 0.562 4.050 4.340 -1.420 0.000 0.287 81 L C -1.320 175.440 176.870 -0.185 0.000 1.039 81 L CA -1.239 53.583 54.840 -0.030 0.000 0.829 81 L CB 0.050 42.100 42.059 -0.014 0.000 1.211 81 L HN 0.468 nan 8.230 nan 0.000 0.427 82 Y N 3.885 124.256 120.300 0.118 0.000 2.328 82 Y HA 0.557 4.255 4.550 -1.419 0.000 0.337 82 Y C 0.293 176.281 175.900 0.146 0.000 1.008 82 Y CA -0.355 57.793 58.100 0.080 0.000 1.129 82 Y CB 1.366 39.864 38.460 0.063 0.000 1.185 82 Y HN 0.516 nan 8.280 nan 0.000 0.476 83 C N 3.306 122.729 119.300 0.205 0.000 2.561 83 C HA 0.408 4.016 4.460 -1.420 0.000 0.319 83 C C 1.317 176.374 174.990 0.111 0.000 1.198 83 C CA -1.086 58.022 59.018 0.149 0.000 1.665 83 C CB 1.892 29.620 27.740 -0.020 0.000 2.258 83 C HN 0.859 nan 8.230 nan 0.000 0.493 84 R N 0.941 121.502 120.500 0.101 0.000 2.275 84 R HA 0.211 3.699 4.340 -1.420 0.000 0.199 84 R C 0.403 176.741 176.300 0.064 0.000 0.989 84 R CA 0.336 56.485 56.100 0.083 0.000 1.016 84 R CB -0.296 30.052 30.300 0.081 0.000 0.918 84 R HN 0.787 nan 8.270 nan 0.000 0.473 85 A N -0.803 122.036 122.820 0.030 0.000 2.414 85 A HA 0.378 3.846 4.320 -1.420 0.000 0.306 85 A C 0.004 177.587 177.584 -0.002 0.000 1.054 85 A CA -0.628 51.435 52.037 0.042 0.000 0.724 85 A CB 1.299 20.317 19.000 0.029 0.000 1.267 85 A HN 0.183 nan 8.150 nan 0.000 0.418 86 H N 1.181 120.221 119.070 -0.050 0.000 2.363 86 H HA -0.005 3.698 4.556 -1.421 0.000 0.301 86 H C 1.815 177.085 175.328 -0.098 0.000 1.074 86 H CA 2.031 57.975 56.048 -0.173 0.000 1.354 86 H CB 0.327 29.787 29.762 -0.503 0.000 1.397 86 H HN 0.581 nan 8.280 nan 0.000 0.516 87 R N 0.373 120.908 120.500 0.059 0.000 2.152 87 R HA -0.138 3.350 4.340 -1.420 0.000 0.232 87 R C 2.264 178.467 176.300 -0.163 0.000 1.117 87 R CA 1.242 57.346 56.100 0.007 0.000 0.981 87 R CB -0.469 29.897 30.300 0.109 0.000 0.870 87 R HN 0.604 nan 8.270 nan 0.000 0.451 88 Q N 0.697 120.362 119.800 -0.225 0.000 2.050 88 Q HA -0.153 3.335 4.340 -1.420 0.000 0.202 88 Q C 2.046 177.613 176.000 -0.722 0.000 0.980 88 Q CA 1.231 56.755 55.803 -0.465 0.000 0.840 88 Q CB -0.074 28.421 28.738 -0.405 0.000 0.898 88 Q HN 0.175 nan 8.270 nan 0.000 0.424 89 L N 0.467 121.379 121.223 -0.519 0.000 2.046 89 L HA -0.149 3.339 4.340 -1.420 0.000 0.208 89 L C 2.240 178.903 176.870 -0.344 0.000 1.077 89 L CA 1.733 56.312 54.840 -0.435 0.000 0.747 89 L CB -0.359 41.459 42.059 -0.402 0.000 0.896 89 L HN 0.323 nan 8.230 nan 0.000 0.432 90 M N -0.649 118.726 119.600 -0.376 0.000 2.117 90 M HA -0.214 3.414 4.480 -1.420 0.000 0.262 90 M C 1.947 178.176 176.300 -0.118 0.000 1.065 90 M CA 1.682 56.846 55.300 -0.227 0.000 1.114 90 M CB -0.519 31.977 32.600 -0.172 0.000 1.361 90 M HN 0.338 nan 8.290 nan 0.000 0.408 91 N N -0.358 118.264 118.700 -0.129 0.000 2.120 91 N HA -0.153 3.735 4.740 -1.420 0.000 0.188 91 N C 1.609 177.171 175.510 0.087 0.000 1.024 91 N CA 1.404 54.437 53.050 -0.028 0.000 0.852 91 N CB -0.440 38.028 38.487 -0.032 0.000 1.003 91 N HN 0.351 nan 8.380 nan 0.000 0.424 92 Y N 1.825 122.048 120.300 -0.127 0.000 2.224 92 Y HA -0.064 3.634 4.550 -1.421 0.000 0.289 92 Y C 2.500 178.317 175.900 -0.138 0.000 1.146 92 Y CA 0.397 58.403 58.100 -0.156 0.000 1.182 92 Y CB -0.848 37.482 38.460 -0.216 0.000 0.983 92 Y HN 0.167 nan 8.280 nan 0.000 0.524 93 E N 1.158 121.381 120.200 0.038 0.000 2.085 93 E HA -0.238 3.260 4.350 -1.420 0.000 0.194 93 E C 2.198 178.784 176.600 -0.023 0.000 0.994 93 E CA 1.383 57.770 56.400 -0.022 0.000 0.801 93 E CB -0.101 29.568 29.700 -0.052 0.000 0.743 93 E HN 0.453 nan 8.360 nan 0.000 0.453 94 K N 0.277 120.671 120.400 -0.011 0.000 2.026 94 K HA -0.143 3.325 4.320 -1.420 0.000 0.208 94 K C 2.425 179.016 176.600 -0.014 0.000 1.048 94 K CA 1.230 57.511 56.287 -0.010 0.000 0.929 94 K CB -0.018 32.482 32.500 -0.001 0.000 0.713 94 K HN -0.009 nan 8.250 nan 0.000 0.439 95 R N 0.363 120.859 120.500 -0.007 0.000 2.081 95 R HA -0.082 3.406 4.340 -1.420 0.000 0.235 95 R C 2.449 178.718 176.300 -0.052 0.000 1.131 95 R CA 1.489 57.573 56.100 -0.027 0.000 0.960 95 R CB -0.318 29.964 30.300 -0.031 0.000 0.856 95 R HN 0.195 nan 8.270 nan 0.000 0.436 96 L N -0.038 121.146 121.223 -0.066 0.000 2.027 96 L HA -0.148 3.340 4.340 -1.420 0.000 0.206 96 L C 2.780 179.606 176.870 -0.073 0.000 1.074 96 L CA 1.338 56.127 54.840 -0.085 0.000 0.745 96 L CB -0.400 41.599 42.059 -0.100 0.000 0.898 96 L HN 0.162 nan 8.230 nan 0.000 0.433 97 R N 0.536 120.998 120.500 -0.064 0.000 2.073 97 R HA -0.196 3.292 4.340 -1.420 0.000 0.234 97 R C 2.111 178.381 176.300 -0.049 0.000 1.134 97 R CA 1.750 57.813 56.100 -0.062 0.000 0.952 97 R CB -0.141 30.128 30.300 -0.052 0.000 0.850 97 R HN 0.379 nan 8.270 nan 0.000 0.433 98 E N -0.906 119.271 120.200 -0.038 0.000 2.153 98 E HA -0.121 3.377 4.350 -1.420 0.000 0.194 98 E C 1.571 178.151 176.600 -0.033 0.000 0.988 98 E CA 1.049 57.431 56.400 -0.030 0.000 0.811 98 E CB -0.103 29.584 29.700 -0.022 0.000 0.746 98 E HN 0.596 nan 8.360 nan 0.000 0.466 99 G N -0.388 108.387 108.800 -0.042 0.000 3.026 99 G HA2 0.127 3.235 3.960 -1.420 0.000 0.208 99 G HA3 0.127 3.235 3.960 -1.420 0.000 0.208 99 G C 0.972 175.843 174.900 -0.047 0.000 1.169 99 G CA 0.255 45.330 45.100 -0.042 0.000 0.788 99 G HN 0.386 nan 8.290 nan 0.000 0.533 100 G N -1.483 107.287 108.800 -0.051 0.000 2.141 100 G HA2 -0.220 2.889 3.960 -1.420 0.000 0.242 100 G HA3 -0.220 2.889 3.960 -1.420 0.000 0.242 100 G C 0.078 174.934 174.900 -0.074 0.000 0.982 100 G CA 0.096 45.162 45.100 -0.056 0.000 0.662 100 G HN 0.697 nan 8.290 nan 0.000 0.527 101 V N 1.509 121.372 119.914 -0.086 0.000 2.394 101 V HA 0.555 3.823 4.120 -1.420 0.000 0.282 101 V C 0.854 176.867 176.094 -0.135 0.000 1.031 101 V CA -0.149 62.087 62.300 -0.107 0.000 0.881 101 V CB 1.638 33.395 31.823 -0.109 0.000 0.982 101 V HN 0.290 nan 8.190 nan 0.000 0.451 102 T N 4.994 119.445 114.554 -0.171 0.000 2.814 102 T HA 0.429 3.927 4.350 -1.420 0.000 0.297 102 T C -0.183 174.294 174.700 -0.372 0.000 0.956 102 T CA -0.057 61.872 62.100 -0.284 0.000 1.123 102 T CB 0.809 69.480 68.868 -0.330 0.000 0.902 102 T HN 0.408 nan 8.240 nan 0.000 0.528 103 V N 4.471 124.153 119.914 -0.385 0.000 2.577 103 V HA 0.435 3.703 4.120 -1.420 0.000 0.303 103 V C -1.177 174.757 176.094 -0.266 0.000 1.042 103 V CA -1.067 61.065 62.300 -0.280 0.000 0.872 103 V CB 1.255 32.999 31.823 -0.130 0.000 0.998 103 V HN 0.760 nan 8.190 nan 0.000 0.423 104 Y N 1.300 121.680 120.300 0.133 0.000 2.420 104 Y HA 0.473 4.173 4.550 -1.416 0.000 0.334 104 Y C 1.079 177.120 175.900 0.234 0.000 1.094 104 Y CA -1.155 57.056 58.100 0.186 0.000 1.126 104 Y CB 1.109 39.724 38.460 0.258 0.000 1.217 104 Y HN 0.806 nan 8.280 nan 0.000 0.462 105 E N -0.413 120.031 120.200 0.407 0.000 2.883 105 E HA -0.317 3.181 4.350 -1.420 0.000 0.271 105 E C 0.937 177.656 176.600 0.199 0.000 1.049 105 E CA 0.509 57.137 56.400 0.380 0.000 0.817 105 E CB -1.139 28.915 29.700 0.590 0.000 1.407 105 E HN 0.780 nan 8.360 nan 0.000 0.434 106 A N 1.182 124.063 122.820 0.102 0.000 2.119 106 A HA -0.163 3.305 4.320 -1.420 0.000 0.217 106 A C 1.844 179.454 177.584 0.043 0.000 1.153 106 A CA 1.352 53.394 52.037 0.008 0.000 0.692 106 A CB -0.119 18.856 19.000 -0.043 0.000 0.799 106 A HN 0.465 nan 8.150 nan 0.000 0.458 107 D N -0.016 120.438 120.400 0.090 0.000 2.312 107 D HA -0.028 3.760 4.640 -1.420 0.000 0.211 107 D C 0.316 176.671 176.300 0.093 0.000 0.964 107 D CA 0.374 54.428 54.000 0.090 0.000 0.877 107 D CB -0.566 40.284 40.800 0.083 0.000 0.924 107 D HN 0.174 nan 8.370 nan 0.000 0.515 108 V N 2.756 122.736 119.914 0.110 0.000 2.446 108 V HA 0.068 3.336 4.120 -1.420 0.000 0.276 108 V C 0.919 176.996 176.094 -0.029 0.000 1.030 108 V CA -0.421 61.912 62.300 0.055 0.000 1.033 108 V CB 0.486 32.381 31.823 0.120 0.000 0.993 108 V HN 0.062 nan 8.190 nan 0.000 0.477 109 R N 5.822 126.224 120.500 -0.164 0.000 2.615 109 R HA 0.233 3.721 4.340 -1.420 0.000 0.270 109 R C -1.549 174.451 176.300 -0.500 0.000 1.081 109 R CA -2.247 53.529 56.100 -0.540 0.000 1.154 109 R CB 0.063 30.131 30.300 -0.386 0.000 1.063 109 R HN 0.336 nan 8.270 nan 0.000 0.519 110 P HA -0.099 nan 4.420 nan 0.000 0.215 110 P C -1.426 175.822 177.300 -0.088 0.000 1.157 110 P CA 1.629 64.490 63.100 -0.398 0.000 0.874 110 P CB -0.547 30.858 31.700 -0.492 0.000 0.790 111 P HA -0.150 nan 4.420 nan 0.000 0.215 111 P C 1.413 178.892 177.300 0.299 0.000 1.157 111 P CA 1.500 64.710 63.100 0.184 0.000 0.863 111 P CB -0.347 31.423 31.700 0.118 0.000 0.787 112 E N -0.770 119.521 120.200 0.150 0.000 2.110 112 E HA -0.199 3.299 4.350 -1.420 0.000 0.193 112 E C 2.128 178.781 176.600 0.088 0.000 0.988 112 E CA 1.027 57.513 56.400 0.143 0.000 0.804 112 E CB -0.562 29.181 29.700 0.072 0.000 0.745 112 E HN 0.020 nan 8.360 nan 0.000 0.458 113 R N -0.292 120.251 120.500 0.071 0.000 2.073 113 R HA -0.181 3.307 4.340 -1.420 0.000 0.234 113 R C 2.151 178.525 176.300 0.123 0.000 1.134 113 R CA 1.466 57.617 56.100 0.085 0.000 0.952 113 R CB -0.943 29.405 30.300 0.080 0.000 0.850 113 R HN 0.324 nan 8.270 nan 0.000 0.433 114 Y N 0.541 120.888 120.300 0.079 0.000 2.114 114 Y HA -0.162 3.536 4.550 -1.419 0.000 0.284 114 Y C 1.774 177.712 175.900 0.065 0.000 1.143 114 Y CA 2.142 60.304 58.100 0.105 0.000 1.135 114 Y CB -0.241 38.337 38.460 0.197 0.000 0.980 114 Y HN 0.059 nan 8.280 nan 0.000 0.499 115 L N -0.549 120.776 121.223 0.170 0.000 2.017 115 L HA -0.271 3.217 4.340 -1.420 0.000 0.208 115 L C 2.711 179.511 176.870 -0.117 0.000 1.073 115 L CA 1.805 56.661 54.840 0.027 0.000 0.745 115 L CB -0.667 41.496 42.059 0.173 0.000 0.894 115 L HN 0.359 nan 8.230 nan 0.000 0.432 116 M N -0.212 119.255 119.600 -0.221 0.000 2.073 116 M HA -0.243 3.385 4.480 -1.420 0.000 0.258 116 M C 2.177 178.240 176.300 -0.395 0.000 1.070 116 M CA 1.817 56.810 55.300 -0.513 0.000 1.103 116 M CB -0.096 32.237 32.600 -0.445 0.000 1.321 116 M HN 0.157 nan 8.290 nan 0.000 0.405 117 E N 0.071 120.118 120.200 -0.254 0.000 2.338 117 E HA -0.120 3.378 4.350 -1.420 0.000 0.197 117 E C 1.432 177.826 176.600 -0.343 0.000 1.007 117 E CA 0.943 57.188 56.400 -0.259 0.000 0.849 117 E CB -0.190 29.457 29.700 -0.089 0.000 0.774 117 E HN 0.583 nan 8.360 nan 0.000 0.506 118 R N -0.472 119.854 120.500 -0.290 0.000 2.427 118 R HA 0.145 3.633 4.340 -1.420 0.000 0.262 118 R C -0.265 176.082 176.300 0.079 0.000 0.943 118 R CA -0.280 55.743 56.100 -0.129 0.000 1.081 118 R CB -0.047 30.108 30.300 -0.241 0.000 1.166 118 R HN -0.026 nan 8.270 nan 0.000 0.534 119 F N 0.004 119.927 119.950 -0.046 0.000 3.093 119 F HA -0.253 3.420 4.527 -1.422 0.000 0.287 119 F C -0.030 175.788 175.800 0.030 0.000 0.882 119 F CA 0.325 58.324 58.000 -0.002 0.000 1.063 119 F CB -1.761 37.242 39.000 0.005 0.000 1.097 119 F HN 0.061 nan 8.300 nan 0.000 0.604 120 I N 0.023 120.668 120.570 0.124 0.000 2.385 120 I HA 0.326 3.644 4.170 -1.420 0.000 0.294 120 I C 1.257 177.478 176.117 0.174 0.000 0.988 120 I CA 0.364 61.727 61.300 0.105 0.000 1.265 120 I CB 1.570 39.577 38.000 0.011 0.000 1.388 120 I HN 0.255 nan 8.210 nan 0.000 0.480 121 T N -0.154 114.433 114.554 0.056 0.000 3.571 121 T HA 0.175 3.673 4.350 -1.420 0.000 0.217 121 T C 1.189 175.781 174.700 -0.180 0.000 0.925 121 T CA 0.288 62.358 62.100 -0.049 0.000 1.376 121 T CB 0.306 69.145 68.868 -0.050 0.000 1.375 121 T HN 0.452 nan 8.240 nan 0.000 0.404 122 S N 1.377 116.895 115.700 -0.303 0.000 3.056 122 S HA 0.390 4.008 4.470 -1.420 0.000 0.255 122 S C -2.481 171.668 174.600 -0.750 0.000 1.079 122 S CA -0.231 57.579 58.200 -0.649 0.000 0.810 122 S CB 0.115 62.664 63.200 -1.083 0.000 0.810 122 S HN 0.363 nan 8.310 nan 0.000 0.477 123 P HA 0.286 nan 4.420 nan 0.000 0.276 123 P C -0.831 176.418 177.300 -0.086 0.000 1.235 123 P CA 0.094 63.076 63.100 -0.197 0.000 0.772 123 P CB 1.142 32.858 31.700 0.027 0.000 0.871 124 V N 0.072 119.934 119.914 -0.087 0.000 3.181 124 V HA 0.640 3.908 4.120 -1.420 0.000 0.308 124 V C -1.733 174.320 176.094 -0.069 0.000 1.214 124 V CA -1.293 60.988 62.300 -0.033 0.000 1.053 124 V CB 2.033 33.833 31.823 -0.038 0.000 1.069 124 V HN 0.406 nan 8.190 nan 0.000 0.441 125 W N 0.740 122.095 121.300 0.092 0.000 2.529 125 W HA 0.786 4.594 4.660 -1.421 0.000 0.321 125 W C -0.534 176.001 176.519 0.026 0.000 1.047 125 W CA -0.812 56.577 57.345 0.073 0.000 1.216 125 W CB 2.077 31.572 29.460 0.057 0.000 1.357 125 W HN 0.664 nan 8.180 nan 0.000 0.489 126 V N 4.321 124.409 119.914 0.289 0.000 2.604 126 V HA 0.542 3.810 4.120 -1.420 0.000 0.305 126 V C -0.823 175.335 176.094 0.106 0.000 1.043 126 V CA -0.503 61.891 62.300 0.156 0.000 0.888 126 V CB 1.770 33.642 31.823 0.081 0.000 0.995 126 V HN 0.625 nan 8.190 nan 0.000 0.429 127 E N 3.925 124.160 120.200 0.059 0.000 2.317 127 E HA 0.840 4.338 4.350 -1.420 0.000 0.270 127 E C -0.224 176.313 176.600 -0.104 0.000 0.885 127 E CA -0.342 56.036 56.400 -0.037 0.000 0.760 127 E CB 2.357 32.087 29.700 0.050 0.000 1.227 127 E HN 1.144 nan 8.360 nan 0.000 0.434 128 G N 1.494 110.050 108.800 -0.408 0.000 2.323 128 G HA2 0.111 3.219 3.960 -1.420 0.000 0.291 128 G HA3 0.111 3.219 3.960 -1.420 0.000 0.291 128 G C -1.813 172.841 174.900 -0.410 0.000 1.278 128 G CA -0.857 44.076 45.100 -0.280 0.000 0.860 128 G HN 0.404 nan 8.290 nan 0.000 0.504 129 D N 0.851 121.208 120.400 -0.073 0.000 2.233 129 D HA 0.488 4.276 4.640 -1.420 0.000 0.240 129 D C 0.172 176.479 176.300 0.011 0.000 1.074 129 D CA -0.296 53.712 54.000 0.014 0.000 0.838 129 D CB 1.833 42.681 40.800 0.080 0.000 1.124 129 D HN 0.378 nan 8.370 nan 0.000 0.475 130 M N 3.026 122.636 119.600 0.018 0.000 2.217 130 M HA 0.116 3.744 4.480 -1.420 0.000 0.352 130 M C -1.156 175.214 176.300 0.118 0.000 1.376 130 M CA 0.144 55.467 55.300 0.038 0.000 1.107 130 M CB 0.054 32.666 32.600 0.020 0.000 1.723 130 M HN 0.335 nan 8.290 nan 0.000 0.461 131 H N 5.131 124.189 119.070 -0.019 0.000 3.172 131 H HA 0.384 4.088 4.556 -1.420 0.000 0.322 131 H C -0.693 174.626 175.328 -0.016 0.000 1.003 131 H CA -0.214 55.827 56.048 -0.012 0.000 1.466 131 H CB 0.259 30.015 29.762 -0.011 0.000 1.673 131 H HN 0.828 nan 8.280 nan 0.000 0.512 132 N N 3.944 122.484 118.700 -0.268 0.000 2.727 132 N HA -0.183 3.705 4.740 -1.420 0.000 0.249 132 N C 1.081 176.518 175.510 -0.121 0.000 1.048 132 N CA 1.745 54.651 53.050 -0.240 0.000 0.714 132 N CB -1.362 36.901 38.487 -0.375 0.000 0.959 132 N HN 1.193 nan 8.380 nan 0.000 0.544 133 G N -2.315 106.445 108.800 -0.066 0.000 2.179 133 G HA2 -0.313 2.795 3.960 -1.420 0.000 0.260 133 G HA3 -0.313 2.795 3.960 -1.420 0.000 0.260 133 G C 0.204 175.073 174.900 -0.052 0.000 0.977 133 G CA 1.315 46.391 45.100 -0.040 0.000 0.641 133 G HN 1.279 nan 8.290 nan 0.000 0.533 134 T N -1.422 113.096 114.554 -0.060 0.000 2.924 134 T HA 0.754 4.252 4.350 -1.420 0.000 0.291 134 T C -0.187 174.490 174.700 -0.039 0.000 1.045 134 T CA -1.095 60.953 62.100 -0.085 0.000 1.015 134 T CB 2.244 71.043 68.868 -0.115 0.000 1.103 134 T HN 0.408 nan 8.240 nan 0.000 0.496 135 I N 3.590 124.124 120.570 -0.060 0.000 2.315 135 I HA 0.433 3.751 4.170 -1.420 0.000 0.291 135 I C 0.606 176.711 176.117 -0.020 0.000 1.006 135 I CA -0.858 60.421 61.300 -0.035 0.000 1.265 135 I CB 0.596 38.570 38.000 -0.043 0.000 1.387 135 I HN 0.763 nan 8.210 nan 0.000 0.475 136 V N 2.852 122.769 119.914 0.005 0.000 2.994 136 V HA 0.597 3.865 4.120 -1.420 0.000 0.318 136 V C 0.432 176.532 176.094 0.010 0.000 1.085 136 V CA -0.939 61.365 62.300 0.006 0.000 0.998 136 V CB 1.392 33.224 31.823 0.015 0.000 1.063 136 V HN 0.894 nan 8.190 nan 0.000 0.447 137 N N -0.100 118.607 118.700 0.012 0.000 2.725 137 N HA -0.154 3.734 4.740 -1.420 0.000 0.249 137 N C 0.313 175.854 175.510 0.051 0.000 1.103 137 N CA 0.509 53.579 53.050 0.032 0.000 0.707 137 N CB -0.960 37.555 38.487 0.046 0.000 1.043 137 N HN 1.380 nan 8.380 nan 0.000 0.553 138 A N 0.790 123.631 122.820 0.035 0.000 2.386 138 A HA 0.556 4.024 4.320 -1.420 0.000 0.248 138 A C 0.533 178.176 177.584 0.099 0.000 1.082 138 A CA 0.212 52.280 52.037 0.051 0.000 0.789 138 A CB 0.578 19.603 19.000 0.042 0.000 1.025 138 A HN 0.330 nan 8.150 nan 0.000 0.490 139 R N 0.747 121.328 120.500 0.135 0.000 2.574 139 R HA 0.590 4.078 4.340 -1.420 0.000 0.288 139 R C -1.579 174.849 176.300 0.214 0.000 1.004 139 R CA -0.517 55.712 56.100 0.216 0.000 0.895 139 R CB 1.624 32.029 30.300 0.175 0.000 1.191 139 R HN 0.623 nan 8.270 nan 0.000 0.444 140 L N 2.409 123.810 121.223 0.298 0.000 2.342 140 L HA 0.620 4.108 4.340 -1.420 0.000 0.271 140 L C -0.318 176.642 176.870 0.150 0.000 1.008 140 L CA -0.945 54.019 54.840 0.207 0.000 0.818 140 L CB 2.019 44.186 42.059 0.180 0.000 1.296 140 L HN 0.473 nan 8.230 nan 0.000 0.427 141 K N 2.057 122.557 120.400 0.167 0.000 2.477 141 K HA 0.524 3.992 4.320 -1.420 0.000 0.255 141 K C -2.709 174.004 176.600 0.187 0.000 0.952 141 K CA -1.895 54.490 56.287 0.165 0.000 0.826 141 K CB 2.341 34.960 32.500 0.197 0.000 1.331 141 K HN 0.199 nan 8.250 nan 0.000 0.437 142 P HA -0.029 nan 4.420 nan 0.000 0.268 142 P C -1.163 176.242 177.300 0.175 0.000 1.205 142 P CA 0.102 63.285 63.100 0.139 0.000 0.771 142 P CB 0.430 32.211 31.700 0.134 0.000 0.858 143 H N 4.939 124.002 119.070 -0.012 0.000 2.481 143 H HA 0.220 3.924 4.556 -1.420 0.000 0.333 143 H C -1.545 173.775 175.328 -0.012 0.000 1.066 143 H CA -2.270 53.700 56.048 -0.130 0.000 1.209 143 H CB 1.645 31.149 29.762 -0.429 0.000 1.445 143 H HN 0.263 nan 8.280 nan 0.000 0.488 144 P HA -0.125 nan 4.420 nan 0.000 0.218 144 P C -0.075 177.361 177.300 0.226 0.000 1.148 144 P CA 1.510 64.703 63.100 0.154 0.000 0.822 144 P CB 0.650 32.399 31.700 0.082 0.000 0.784 145 D N -5.185 115.442 120.400 0.379 0.000 2.497 145 D HA -0.017 3.771 4.640 -1.420 0.000 0.256 145 D C 0.190 176.571 176.300 0.134 0.000 1.273 145 D CA -0.662 53.473 54.000 0.224 0.000 0.812 145 D CB -1.235 39.673 40.800 0.179 0.000 1.190 145 D HN 0.015 nan 8.370 nan 0.000 0.524 146 Y N 2.484 122.695 120.300 -0.148 0.000 2.717 146 Y HA 0.307 4.004 4.550 -1.420 0.000 0.330 146 Y C -0.158 175.710 175.900 -0.052 0.000 1.217 146 Y CA 0.124 58.008 58.100 -0.360 0.000 1.506 146 Y CB 0.450 38.317 38.460 -0.987 0.000 1.268 146 Y HN -0.175 nan 8.280 nan 0.000 0.561 147 R N 7.349 127.281 120.500 -0.946 0.000 2.538 147 R HA 0.389 3.877 4.340 -1.420 0.000 0.292 147 R C -2.878 172.777 176.300 -1.074 0.000 1.008 147 R CA -2.102 53.559 56.100 -0.732 0.000 0.896 147 R CB 1.579 31.659 30.300 -0.367 0.000 1.187 147 R HN 0.513 nan 8.270 nan 0.000 0.440 148 P HA 0.414 nan 4.420 nan 0.000 0.282 148 P C -2.536 174.649 177.300 -0.191 0.000 1.259 148 P CA -1.572 61.305 63.100 -0.371 0.000 0.826 148 P CB 0.526 32.191 31.700 -0.058 0.000 1.064 149 P HA 0.437 nan 4.420 nan 0.000 0.284 149 P C -0.889 176.416 177.300 0.010 0.000 1.253 149 P CA -0.205 62.874 63.100 -0.034 0.000 0.800 149 P CB 0.990 32.687 31.700 -0.005 0.000 0.961 150 L N 1.905 123.143 121.223 0.024 0.000 2.401 150 L HA 0.497 3.985 4.340 -1.420 0.000 0.266 150 L C 0.335 177.238 176.870 0.055 0.000 0.991 150 L CA -0.884 54.020 54.840 0.106 0.000 0.818 150 L CB 2.456 44.660 42.059 0.243 0.000 1.321 150 L HN 0.198 nan 8.230 nan 0.000 0.413 151 K N 1.843 122.312 120.400 0.115 0.000 2.185 151 K HA 0.469 3.937 4.320 -1.420 0.000 0.269 151 K C -1.420 175.350 176.600 0.283 0.000 0.987 151 K CA -0.551 55.780 56.287 0.075 0.000 0.865 151 K CB 1.457 33.994 32.500 0.062 0.000 1.090 151 K HN 0.268 nan 8.250 nan 0.000 0.450 152 W N 1.733 123.037 121.300 0.008 0.000 2.655 152 W HA 0.582 4.390 4.660 -1.420 0.000 0.358 152 W C -0.586 175.922 176.519 -0.018 0.000 1.100 152 W CA -1.045 56.285 57.345 -0.024 0.000 1.195 152 W CB 0.957 30.365 29.460 -0.086 0.000 1.403 152 W HN 0.129 nan 8.180 nan 0.000 0.589 153 V N 1.939 121.972 119.914 0.199 0.000 2.569 153 V HA 0.464 3.732 4.120 -1.420 0.000 0.301 153 V C -0.772 175.303 176.094 -0.032 0.000 1.044 153 V CA -0.539 61.801 62.300 0.067 0.000 0.874 153 V CB 1.669 33.482 31.823 -0.017 0.000 1.002 153 V HN 0.506 nan 8.190 nan 0.000 0.424 154 S N 7.357 123.011 115.700 -0.077 0.000 2.422 154 S HA 0.607 4.225 4.470 -1.420 0.000 0.298 154 S C -0.536 173.984 174.600 -0.133 0.000 1.118 154 S CA -0.466 57.654 58.200 -0.133 0.000 1.083 154 S CB 0.475 63.593 63.200 -0.137 0.000 0.971 154 S HN 0.775 nan 8.310 nan 0.000 0.478 155 I N 4.074 124.590 120.570 -0.090 0.000 2.441 155 I HA 0.575 3.894 4.170 -1.420 0.000 0.295 155 I C -1.165 174.931 176.117 -0.034 0.000 0.994 155 I CA -0.528 60.731 61.300 -0.068 0.000 1.144 155 I CB 1.671 39.670 38.000 -0.002 0.000 1.314 155 I HN 0.671 nan 8.210 nan 0.000 0.445 156 D N 7.330 127.704 120.400 -0.044 0.000 2.970 156 D HA 0.437 4.225 4.640 -1.420 0.000 0.230 156 D C -1.162 175.149 176.300 0.018 0.000 1.276 156 D CA -0.473 53.524 54.000 -0.004 0.000 0.910 156 D CB 1.598 42.356 40.800 -0.069 0.000 1.590 156 D HN 0.490 nan 8.370 nan 0.000 0.551 157 I N -0.305 120.322 120.570 0.094 0.000 2.648 157 I HA 0.730 4.048 4.170 -1.420 0.000 0.304 157 I C -0.837 175.390 176.117 0.184 0.000 1.009 157 I CA -0.673 60.683 61.300 0.093 0.000 1.114 157 I CB 2.056 40.068 38.000 0.020 0.000 1.293 157 I HN 0.107 nan 8.210 nan 0.000 0.449 158 E N 3.873 124.175 120.200 0.170 0.000 2.210 158 E HA 0.503 4.001 4.350 -1.420 0.000 0.266 158 E C -0.661 176.053 176.600 0.189 0.000 0.883 158 E CA -0.380 56.163 56.400 0.238 0.000 0.761 158 E CB 2.412 32.285 29.700 0.288 0.000 1.156 158 E HN 0.883 nan 8.360 nan 0.000 0.412 159 T N -1.658 112.978 114.554 0.138 0.000 2.831 159 T HA 0.582 4.080 4.350 -1.420 0.000 0.287 159 T C 0.403 174.909 174.700 -0.323 0.000 1.070 159 T CA -0.726 61.287 62.100 -0.146 0.000 1.010 159 T CB 1.229 70.084 68.868 -0.022 0.000 1.264 159 T HN 0.346 nan 8.240 nan 0.000 0.532 160 T N -1.049 113.142 114.554 -0.606 0.000 2.754 160 T HA 0.268 3.766 4.350 -1.420 0.000 0.286 160 T C 1.467 176.069 174.700 -0.162 0.000 0.997 160 T CA -0.603 61.247 62.100 -0.418 0.000 0.982 160 T CB 0.482 69.142 68.868 -0.347 0.000 1.027 160 T HN 0.934 nan 8.240 nan 0.000 0.529 161 R N -0.133 120.275 120.500 -0.154 0.000 2.328 161 R HA -0.055 3.433 4.340 -1.420 0.000 0.207 161 R C 0.850 176.942 176.300 -0.347 0.000 1.056 161 R CA 0.966 56.923 56.100 -0.238 0.000 1.016 161 R CB -0.491 29.639 30.300 -0.284 0.000 0.872 161 R HN 0.690 nan 8.270 nan 0.000 0.471 162 H N -0.326 118.718 119.070 -0.042 0.000 2.594 162 H HA 0.222 3.926 4.556 -1.420 0.000 0.279 162 H C 1.015 176.306 175.328 -0.063 0.000 1.042 162 H CA 0.473 56.493 56.048 -0.046 0.000 1.177 162 H CB 1.355 31.088 29.762 -0.048 0.000 1.524 162 H HN 0.557 nan 8.280 nan 0.000 0.537 163 G N 1.332 110.138 108.800 0.010 0.000 2.175 163 G HA2 -0.240 2.868 3.960 -1.420 0.000 0.244 163 G HA3 -0.240 2.868 3.960 -1.420 0.000 0.244 163 G C 0.081 174.994 174.900 0.021 0.000 0.982 163 G CA -0.160 44.943 45.100 0.006 0.000 0.641 163 G HN 0.415 nan 8.290 nan 0.000 0.527 164 E N 0.543 120.720 120.200 -0.038 0.000 2.338 164 E HA 0.425 3.923 4.350 -1.420 0.000 0.272 164 E C 0.842 177.392 176.600 -0.084 0.000 1.029 164 E CA -0.537 55.880 56.400 0.030 0.000 0.872 164 E CB 1.045 30.716 29.700 -0.049 0.000 1.015 164 E HN 0.370 nan 8.360 nan 0.000 0.417 165 L N 3.294 124.567 121.223 0.084 0.000 2.525 165 L HA -0.123 3.365 4.340 -1.420 0.000 0.278 165 L C 0.502 177.294 176.870 -0.130 0.000 1.218 165 L CA 0.343 55.113 54.840 -0.118 0.000 0.878 165 L CB -0.074 41.882 42.059 -0.171 0.000 1.127 165 L HN 0.672 nan 8.230 nan 0.000 0.492 166 Y N 1.858 122.090 120.300 -0.114 0.000 2.506 166 Y HA 0.150 3.848 4.550 -1.420 0.000 0.287 166 Y C 0.934 176.836 175.900 0.003 0.000 1.147 166 Y CA -0.803 57.153 58.100 -0.239 0.000 1.241 166 Y CB 0.435 38.706 38.460 -0.316 0.000 1.279 166 Y HN 0.751 nan 8.280 nan 0.000 0.527 167 C N -0.900 118.526 119.300 0.210 0.000 3.321 167 C HA 0.761 4.369 4.460 -1.420 0.000 0.329 167 C C -0.915 174.135 174.990 0.100 0.000 1.394 167 C CA -1.641 57.478 59.018 0.167 0.000 1.291 167 C CB 1.162 29.008 27.740 0.177 0.000 1.606 167 C HN 0.096 nan 8.230 nan 0.000 0.463 168 I N 1.551 122.178 120.570 0.096 0.000 2.478 168 I HA 0.613 3.931 4.170 -1.420 0.000 0.287 168 I C 0.426 176.535 176.117 -0.013 0.000 1.042 168 I CA -0.252 61.081 61.300 0.054 0.000 1.067 168 I CB 1.942 40.000 38.000 0.096 0.000 1.233 168 I HN 1.070 nan 8.210 nan 0.000 0.431 169 G N 7.039 115.790 108.800 -0.081 0.000 2.372 169 G HA2 0.767 3.875 3.960 -1.420 0.000 0.323 169 G HA3 0.767 3.875 3.960 -1.420 0.000 0.323 169 G C -1.001 173.757 174.900 -0.238 0.000 1.152 169 G CA -0.426 44.564 45.100 -0.184 0.000 0.906 169 G HN 0.434 nan 8.290 nan 0.000 0.460 170 L N 1.631 122.643 121.223 -0.353 0.000 2.381 170 L HA 0.561 4.049 4.340 -1.420 0.000 0.274 170 L C -0.372 176.274 176.870 -0.374 0.000 0.988 170 L CA -0.702 53.851 54.840 -0.477 0.000 0.824 170 L CB 2.570 44.064 42.059 -0.941 0.000 1.263 170 L HN 0.483 nan 8.230 nan 0.000 0.410 171 E N 2.831 122.873 120.200 -0.264 0.000 2.255 171 E HA 0.680 4.178 4.350 -1.420 0.000 0.256 171 E C -0.838 175.735 176.600 -0.046 0.000 0.887 171 E CA -0.323 55.991 56.400 -0.142 0.000 0.782 171 E CB 2.210 31.830 29.700 -0.134 0.000 1.214 171 E HN 0.808 nan 8.360 nan 0.000 0.417 172 G N 1.291 110.109 108.800 0.030 0.000 2.352 172 G HA2 0.078 3.186 3.960 -1.420 0.000 0.302 172 G HA3 0.078 3.186 3.960 -1.420 0.000 0.302 172 G C -0.237 174.737 174.900 0.123 0.000 1.370 172 G CA -0.190 44.965 45.100 0.090 0.000 0.918 172 G HN 0.674 nan 8.290 nan 0.000 0.610 173 C N -0.344 118.990 119.300 0.057 0.000 4.356 173 C HA 0.119 3.727 4.460 -1.420 0.000 0.296 173 C C 2.225 177.172 174.990 -0.072 0.000 1.424 173 C CA 1.775 60.787 59.018 -0.009 0.000 2.000 173 C CB -1.689 26.026 27.740 -0.040 0.000 1.262 173 C HN 3.040 nan 8.230 nan 0.000 0.789 174 G N -0.874 107.895 108.800 -0.053 0.000 2.155 174 G HA2 -0.228 2.880 3.960 -1.420 0.000 0.257 174 G HA3 -0.228 2.880 3.960 -1.420 0.000 0.257 174 G C -0.194 174.658 174.900 -0.080 0.000 0.983 174 G CA 0.866 45.930 45.100 -0.060 0.000 0.676 174 G HN 0.764 nan 8.290 nan 0.000 0.528 175 Q N -0.750 119.001 119.800 -0.083 0.000 2.348 175 Q HA 0.747 4.235 4.340 -1.420 0.000 0.271 175 Q C 0.076 176.066 176.000 -0.016 0.000 1.067 175 Q CA -0.668 55.094 55.803 -0.069 0.000 0.839 175 Q CB 1.732 30.404 28.738 -0.109 0.000 1.354 175 Q HN 0.446 nan 8.270 nan 0.000 0.447 176 R N 1.091 121.584 120.500 -0.012 0.000 2.575 176 R HA 0.634 4.122 4.340 -1.420 0.000 0.292 176 R C -0.913 175.376 176.300 -0.017 0.000 1.246 176 R CA -0.181 55.895 56.100 -0.040 0.000 0.973 176 R CB 1.392 31.694 30.300 0.003 0.000 1.187 176 R HN 0.624 nan 8.270 nan 0.000 0.478 177 I N 1.820 122.307 120.570 -0.138 0.000 2.913 177 I HA 0.523 3.841 4.170 -1.420 0.000 0.302 177 I C -1.461 174.454 176.117 -0.337 0.000 1.246 177 I CA -1.103 60.087 61.300 -0.184 0.000 1.010 177 I CB 2.514 40.360 38.000 -0.256 0.000 1.259 177 I HN 0.236 nan 8.210 nan 0.000 0.434 178 V N 6.362 126.102 119.914 -0.290 0.000 2.483 178 V HA 0.400 3.668 4.120 -1.420 0.000 0.297 178 V C -1.349 174.554 176.094 -0.319 0.000 1.027 178 V CA -0.488 61.651 62.300 -0.268 0.000 0.855 178 V CB 1.639 33.409 31.823 -0.089 0.000 0.995 178 V HN 0.474 nan 8.190 nan 0.000 0.424 179 Y N 4.978 125.265 120.300 -0.022 0.000 2.341 179 Y HA 0.696 4.394 4.550 -1.420 0.000 0.340 179 Y C 0.196 176.101 175.900 0.008 0.000 0.997 179 Y CA -0.608 57.490 58.100 -0.002 0.000 1.149 179 Y CB 1.643 40.117 38.460 0.023 0.000 1.171 179 Y HN 0.652 nan 8.280 nan 0.000 0.494 180 M N 4.364 124.033 119.600 0.115 0.000 2.393 180 M HA 0.485 4.113 4.480 -1.420 0.000 0.316 180 M C -1.806 174.666 176.300 0.287 0.000 1.087 180 M CA -1.058 54.320 55.300 0.130 0.000 0.937 180 M CB 1.208 33.745 32.600 -0.105 0.000 1.668 180 M HN 0.571 nan 8.290 nan 0.000 0.438 181 L N 4.815 126.286 121.223 0.413 0.000 2.477 181 L HA 0.563 4.051 4.340 -1.420 0.000 0.272 181 L C 0.412 177.588 176.870 0.511 0.000 1.157 181 L CA 0.728 55.840 54.840 0.454 0.000 0.889 181 L CB 0.088 42.447 42.059 0.499 0.000 1.158 181 L HN 0.845 nan 8.230 nan 0.000 0.473 182 G N 5.602 114.634 108.800 0.387 0.000 2.588 182 G HA2 0.453 3.562 3.960 -1.420 0.000 0.278 182 G HA3 0.453 3.562 3.960 -1.420 0.000 0.278 182 G C -2.533 172.431 174.900 0.106 0.000 1.307 182 G CA -0.786 44.450 45.100 0.227 0.000 1.016 182 G HN 0.656 nan 8.290 nan 0.000 0.503 183 P HA 0.241 nan 4.420 nan 0.000 0.279 183 P C -0.367 176.709 177.300 -0.373 0.000 1.276 183 P CA -0.492 62.500 63.100 -0.179 0.000 0.801 183 P CB 1.130 32.749 31.700 -0.136 0.000 1.127 184 E N 0.802 120.611 120.200 -0.653 0.000 2.408 184 E HA 0.218 3.716 4.350 -1.420 0.000 0.259 184 E C 0.175 176.582 176.600 -0.321 0.000 1.110 184 E CA 0.055 55.986 56.400 -0.781 0.000 0.929 184 E CB 0.084 29.331 29.700 -0.755 0.000 0.971 184 E HN 0.527 nan 8.360 nan 0.000 0.438 185 N N -0.675 117.917 118.700 -0.180 0.000 3.185 185 N HA 0.407 4.295 4.740 -1.420 0.000 0.238 185 N C -0.203 175.287 175.510 -0.035 0.000 1.451 185 N CA -0.151 52.837 53.050 -0.105 0.000 0.888 185 N CB 0.598 39.011 38.487 -0.124 0.000 1.413 185 N HN 0.674 nan 8.380 nan 0.000 0.511 186 G N 0.083 108.863 108.800 -0.033 0.000 2.752 186 G HA2 -0.036 3.072 3.960 -1.420 0.000 0.234 186 G HA3 -0.036 3.072 3.960 -1.420 0.000 0.234 186 G C -1.301 173.598 174.900 -0.002 0.000 1.367 186 G CA 0.275 45.369 45.100 -0.011 0.000 0.879 186 G HN 1.168 nan 8.290 nan 0.000 0.563 187 D N -0.567 119.835 120.400 0.003 0.000 2.408 187 D HA 0.703 4.491 4.640 -1.420 0.000 0.243 187 D C 0.673 176.972 176.300 -0.002 0.000 1.075 187 D CA 0.462 54.461 54.000 -0.001 0.000 0.832 187 D CB 1.139 41.933 40.800 -0.009 0.000 1.162 187 D HN 1.038 nan 8.370 nan 0.000 0.515 188 A N 2.748 125.568 122.820 -0.001 0.000 2.379 188 A HA 0.128 3.596 4.320 -1.420 0.000 0.236 188 A C 1.737 179.277 177.584 -0.073 0.000 1.272 188 A CA 0.421 52.436 52.037 -0.037 0.000 0.886 188 A CB -0.376 18.624 19.000 -0.000 0.000 0.962 188 A HN 0.546 nan 8.150 nan 0.000 0.504 189 S N -0.653 115.018 115.700 -0.048 0.000 2.402 189 S HA -0.077 3.541 4.470 -1.420 0.000 0.229 189 S C 1.541 176.102 174.600 -0.065 0.000 1.021 189 S CA 1.573 59.743 58.200 -0.050 0.000 0.974 189 S CB -0.352 62.830 63.200 -0.031 0.000 0.800 189 S HN 0.321 nan 8.310 nan 0.000 0.484 190 S N 1.156 116.817 115.700 -0.064 0.000 2.575 190 S HA 0.391 4.009 4.470 -1.420 0.000 0.215 190 S C 0.414 174.956 174.600 -0.096 0.000 0.966 190 S CA -0.297 57.867 58.200 -0.060 0.000 0.911 190 S CB -0.380 62.800 63.200 -0.032 0.000 0.780 190 S HN 0.435 nan 8.310 nan 0.000 0.514 191 L N 2.695 123.807 121.223 -0.184 0.000 2.416 191 L HA 0.138 3.626 4.340 -1.420 0.000 0.272 191 L C 0.971 177.656 176.870 -0.309 0.000 1.161 191 L CA -0.343 54.281 54.840 -0.360 0.000 0.845 191 L CB 0.369 41.993 42.059 -0.723 0.000 1.119 191 L HN 0.187 nan 8.230 nan 0.000 0.464 192 D N 1.634 121.918 120.400 -0.194 0.000 2.388 192 D HA 0.091 3.879 4.640 -1.420 0.000 0.221 192 D C -0.231 176.102 176.300 0.054 0.000 1.133 192 D CA -0.137 53.843 54.000 -0.034 0.000 0.831 192 D CB -0.090 40.745 40.800 0.060 0.000 0.962 192 D HN 0.253 nan 8.370 nan 0.000 0.502 193 F N -1.434 118.493 119.950 -0.038 0.000 2.692 193 F HA 0.616 4.291 4.527 -1.420 0.000 0.320 193 F C -0.511 175.254 175.800 -0.058 0.000 1.123 193 F CA -1.562 56.406 58.000 -0.053 0.000 0.961 193 F CB 0.766 39.723 39.000 -0.071 0.000 1.383 193 F HN -0.346 nan 8.300 nan 0.000 0.483 194 E N 1.600 121.883 120.200 0.138 0.000 2.289 194 E HA 0.414 3.912 4.350 -1.420 0.000 0.278 194 E C -1.417 175.215 176.600 0.055 0.000 1.032 194 E CA -0.675 55.737 56.400 0.020 0.000 0.854 194 E CB 1.818 31.534 29.700 0.027 0.000 1.046 194 E HN 0.518 nan 8.360 nan 0.000 0.409 195 L N 2.828 124.005 121.223 -0.076 0.000 2.343 195 L HA 0.333 3.821 4.340 -1.420 0.000 0.278 195 L C -0.937 175.861 176.870 -0.120 0.000 0.996 195 L CA -0.232 54.548 54.840 -0.100 0.000 0.831 195 L CB 1.512 43.469 42.059 -0.170 0.000 1.232 195 L HN 0.501 nan 8.230 nan 0.000 0.413 196 E N 3.625 123.752 120.200 -0.123 0.000 2.199 196 E HA 0.353 3.851 4.350 -1.420 0.000 0.265 196 E C -1.594 175.026 176.600 0.033 0.000 0.882 196 E CA -0.654 55.772 56.400 0.043 0.000 0.759 196 E CB 1.143 30.974 29.700 0.217 0.000 1.148 196 E HN 0.573 nan 8.360 nan 0.000 0.412 197 Y N 1.655 122.048 120.300 0.156 0.000 2.335 197 Y HA 0.403 4.101 4.550 -1.420 0.000 0.323 197 Y C 0.210 176.196 175.900 0.144 0.000 1.224 197 Y CA -0.471 57.716 58.100 0.145 0.000 1.241 197 Y CB 1.579 40.094 38.460 0.091 0.000 1.235 197 Y HN 0.284 nan 8.280 nan 0.000 0.492 198 V N -0.710 119.398 119.914 0.322 0.000 2.925 198 V HA 0.794 4.062 4.120 -1.420 0.000 0.311 198 V C 0.169 176.372 176.094 0.180 0.000 1.104 198 V CA -0.533 61.888 62.300 0.201 0.000 0.954 198 V CB 1.442 33.348 31.823 0.139 0.000 1.022 198 V HN 0.877 nan 8.190 nan 0.000 0.427 199 A N 3.133 126.023 122.820 0.115 0.000 1.969 199 A HA 0.319 3.787 4.320 -1.420 0.000 0.218 199 A C 1.273 178.906 177.584 0.082 0.000 1.169 199 A CA 1.456 53.546 52.037 0.088 0.000 0.635 199 A CB -0.559 18.471 19.000 0.051 0.000 0.810 199 A HN 1.858 nan 8.150 nan 0.000 0.445 200 S N -2.920 112.814 115.700 0.057 0.000 2.595 200 S HA 0.587 4.205 4.470 -1.420 0.000 0.281 200 S C 0.363 174.967 174.600 0.006 0.000 1.117 200 S CA -0.724 57.488 58.200 0.019 0.000 0.873 200 S CB 1.425 64.598 63.200 -0.045 0.000 1.108 200 S HN 0.302 nan 8.310 nan 0.000 0.477 201 R N 0.517 121.007 120.500 -0.017 0.000 2.081 201 R HA -0.001 3.487 4.340 -1.420 0.000 0.235 201 R C -1.012 175.254 176.300 -0.056 0.000 1.131 201 R CA 1.665 57.779 56.100 0.023 0.000 0.960 201 R CB -1.648 28.743 30.300 0.153 0.000 0.856 201 R HN 0.531 nan 8.270 nan 0.000 0.436 202 P HA -0.161 nan 4.420 nan 0.000 0.218 202 P C 0.814 178.071 177.300 -0.072 0.000 1.148 202 P CA 1.339 64.259 63.100 -0.300 0.000 0.822 202 P CB 0.007 31.435 31.700 -0.454 0.000 0.784 203 Q N -1.089 118.671 119.800 -0.066 0.000 2.291 203 Q HA -0.076 3.412 4.340 -1.420 0.000 0.205 203 Q C 2.040 178.017 176.000 -0.038 0.000 0.970 203 Q CA 0.823 56.605 55.803 -0.034 0.000 0.876 203 Q CB -0.540 28.191 28.738 -0.011 0.000 0.935 203 Q HN 0.313 nan 8.270 nan 0.000 0.455 204 L N 0.129 121.347 121.223 -0.008 0.000 2.046 204 L HA -0.203 3.285 4.340 -1.420 0.000 0.208 204 L C 2.157 178.992 176.870 -0.057 0.000 1.077 204 L CA 0.977 55.805 54.840 -0.020 0.000 0.747 204 L CB -0.341 41.740 42.059 0.035 0.000 0.896 204 L HN 0.304 nan 8.230 nan 0.000 0.432 205 L N -0.677 120.543 121.223 -0.005 0.000 2.093 205 L HA -0.182 3.306 4.340 -1.420 0.000 0.208 205 L C 2.448 179.303 176.870 -0.025 0.000 1.085 205 L CA 1.239 56.078 54.840 -0.001 0.000 0.755 205 L CB -0.536 41.564 42.059 0.069 0.000 0.904 205 L HN 0.333 nan 8.230 nan 0.000 0.435 206 E N -0.021 120.159 120.200 -0.033 0.000 2.072 206 E HA -0.176 3.322 4.350 -1.420 0.000 0.191 206 E C 2.171 178.728 176.600 -0.071 0.000 0.985 206 E CA 0.725 57.104 56.400 -0.034 0.000 0.801 206 E CB 0.104 29.788 29.700 -0.027 0.000 0.750 206 E HN 0.287 nan 8.360 nan 0.000 0.452 207 K N 0.792 121.078 120.400 -0.189 0.000 2.057 207 K HA -0.136 3.332 4.320 -1.420 0.000 0.207 207 K C 2.250 178.701 176.600 -0.249 0.000 1.049 207 K CA 0.578 56.623 56.287 -0.403 0.000 0.931 207 K CB -0.527 31.343 32.500 -1.050 0.000 0.714 207 K HN 0.108 nan 8.250 nan 0.000 0.440 208 L N 2.252 123.384 121.223 -0.153 0.000 2.012 208 L HA -0.190 3.298 4.340 -1.420 0.000 0.210 208 L C 1.651 178.665 176.870 0.241 0.000 1.073 208 L CA 1.800 56.698 54.840 0.097 0.000 0.748 208 L CB -0.712 41.362 42.059 0.025 0.000 0.891 208 L HN 0.121 nan 8.230 nan 0.000 0.431 209 N N 0.183 118.944 118.700 0.101 0.000 2.084 209 N HA -0.148 3.740 4.740 -1.420 0.000 0.190 209 N C 1.840 177.472 175.510 0.203 0.000 1.030 209 N CA 1.692 54.811 53.050 0.115 0.000 0.849 209 N CB -0.592 37.918 38.487 0.038 0.000 1.012 209 N HN 0.545 nan 8.380 nan 0.000 0.423 210 A N -0.249 122.668 122.820 0.161 0.000 1.933 210 A HA -0.150 3.318 4.320 -1.420 0.000 0.218 210 A C 2.210 179.940 177.584 0.244 0.000 1.175 210 A CA 1.200 53.327 52.037 0.151 0.000 0.628 210 A CB -1.133 17.926 19.000 0.098 0.000 0.814 210 A HN 0.533 nan 8.150 nan 0.000 0.444 211 W N -0.644 120.782 121.300 0.211 0.000 2.358 211 W HA -0.159 3.649 4.660 -1.420 0.000 0.303 211 W C 1.818 178.503 176.519 0.276 0.000 1.208 211 W CA 1.811 59.355 57.345 0.332 0.000 1.274 211 W CB -0.317 29.404 29.460 0.434 0.000 1.138 211 W HN 0.315 nan 8.180 nan 0.000 0.515 212 F N 0.308 120.579 119.950 0.534 0.000 2.134 212 F HA -0.196 3.479 4.527 -1.420 0.000 0.299 212 F C 2.563 178.412 175.800 0.082 0.000 1.097 212 F CA 1.953 60.165 58.000 0.353 0.000 1.264 212 F CB -1.007 38.151 39.000 0.264 0.000 1.001 212 F HN -0.044 nan 8.300 nan 0.000 0.479 213 A N 0.243 123.192 122.820 0.214 0.000 1.877 213 A HA -0.211 3.257 4.320 -1.420 0.000 0.216 213 A C 2.014 179.540 177.584 -0.098 0.000 1.186 213 A CA 2.063 54.132 52.037 0.054 0.000 0.620 213 A CB -0.767 18.258 19.000 0.041 0.000 0.822 213 A HN 0.350 nan 8.150 nan 0.000 0.443 214 N N -1.113 117.452 118.700 -0.225 0.000 2.106 214 N HA -0.107 3.781 4.740 -1.420 0.000 0.188 214 N C 1.305 176.363 175.510 -0.753 0.000 1.029 214 N CA 1.690 54.422 53.050 -0.530 0.000 0.848 214 N CB -0.561 37.459 38.487 -0.778 0.000 1.007 214 N HN 0.630 nan 8.380 nan 0.000 0.423 215 Y N 0.403 120.362 120.300 -0.569 0.000 2.500 215 Y HA 0.119 3.817 4.550 -1.420 0.000 0.270 215 Y C 0.140 175.795 175.900 -0.408 0.000 1.134 215 Y CA -0.404 57.303 58.100 -0.656 0.000 1.293 215 Y CB -0.098 37.564 38.460 -1.330 0.000 1.063 215 Y HN -0.055 nan 8.280 nan 0.000 0.534 216 D N 1.082 121.368 120.400 -0.190 0.000 2.802 216 D HA -0.149 3.639 4.640 -1.420 0.000 0.229 216 D C -2.612 173.673 176.300 -0.024 0.000 1.203 216 D CA 0.012 53.971 54.000 -0.069 0.000 0.712 216 D CB -0.116 40.663 40.800 -0.035 0.000 0.973 216 D HN 0.176 nan 8.370 nan 0.000 0.407 217 P HA 0.108 nan 4.420 nan 0.000 0.275 217 P C 0.408 177.763 177.300 0.092 0.000 1.228 217 P CA -0.202 62.926 63.100 0.046 0.000 0.786 217 P CB 0.896 32.618 31.700 0.037 0.000 0.927 218 D N 0.396 120.877 120.400 0.136 0.000 2.240 218 D HA 0.041 3.829 4.640 -1.420 0.000 0.206 218 D C 0.377 176.762 176.300 0.142 0.000 0.963 218 D CA 1.175 55.264 54.000 0.148 0.000 0.863 218 D CB 0.457 41.361 40.800 0.175 0.000 0.973 218 D HN 0.153 nan 8.370 nan 0.000 0.501 219 V N 1.607 121.615 119.914 0.157 0.000 2.709 219 V HA 0.378 3.646 4.120 -1.420 0.000 0.308 219 V C -0.162 175.959 176.094 0.045 0.000 1.062 219 V CA -0.760 61.582 62.300 0.070 0.000 0.901 219 V CB 2.711 34.505 31.823 -0.048 0.000 1.003 219 V HN -0.115 nan 8.190 nan 0.000 0.425 220 I N 5.851 126.437 120.570 0.027 0.000 2.330 220 I HA 0.552 3.870 4.170 -1.420 0.000 0.289 220 I C -0.208 175.863 176.117 -0.077 0.000 1.001 220 I CA -0.338 60.986 61.300 0.041 0.000 1.193 220 I CB 1.226 39.301 38.000 0.125 0.000 1.345 220 I HN 0.650 nan 8.210 nan 0.000 0.461 221 I N 3.018 123.480 120.570 -0.180 0.000 2.846 221 I HA 1.063 4.381 4.170 -1.420 0.000 0.307 221 I C -0.060 175.938 176.117 -0.198 0.000 1.053 221 I CA -0.407 60.697 61.300 -0.326 0.000 1.050 221 I CB 2.321 39.744 38.000 -0.961 0.000 1.239 221 I HN 0.607 nan 8.210 nan 0.000 0.439 222 G N 2.344 111.090 108.800 -0.090 0.000 2.428 222 G HA2 0.227 3.335 3.960 -1.420 0.000 0.304 222 G HA3 0.227 3.335 3.960 -1.420 0.000 0.304 222 G C -2.699 172.356 174.900 0.258 0.000 1.303 222 G CA -0.689 44.450 45.100 0.064 0.000 0.825 222 G HN 0.770 nan 8.290 nan 0.000 0.484 223 W N 1.645 122.951 121.300 0.009 0.000 2.411 223 W HA 0.418 4.227 4.660 -1.419 0.000 0.317 223 W C 0.544 177.087 176.519 0.039 0.000 1.030 223 W CA -0.281 57.079 57.345 0.026 0.000 1.239 223 W CB 1.380 30.832 29.460 -0.012 0.000 1.304 223 W HN 0.744 nan 8.180 nan 0.000 0.437 224 N N 3.528 122.155 118.700 -0.123 0.000 2.735 224 N HA -0.221 3.667 4.740 -1.420 0.000 0.248 224 N C 0.554 176.129 175.510 0.109 0.000 1.083 224 N CA 1.059 54.091 53.050 -0.030 0.000 0.703 224 N CB -1.069 37.428 38.487 0.015 0.000 1.005 224 N HN 0.322 nan 8.380 nan 0.000 0.550 225 V N -0.779 119.189 119.914 0.089 0.000 2.594 225 V HA -0.173 3.095 4.120 -1.420 0.000 0.253 225 V C 1.878 178.042 176.094 0.117 0.000 1.069 225 V CA 2.142 64.512 62.300 0.116 0.000 1.082 225 V CB 0.074 31.942 31.823 0.075 0.000 0.680 225 V HN 0.358 nan 8.190 nan 0.000 0.469 226 V N -0.790 119.189 119.914 0.108 0.000 2.300 226 V HA -0.105 3.163 4.120 -1.420 0.000 0.241 226 V C 2.407 178.634 176.094 0.222 0.000 1.034 226 V CA 1.445 63.839 62.300 0.157 0.000 1.021 226 V CB -0.630 31.265 31.823 0.120 0.000 0.662 226 V HN 0.429 nan 8.190 nan 0.000 0.458 227 Q N -1.252 118.642 119.800 0.156 0.000 2.364 227 Q HA -0.041 3.447 4.340 -1.420 0.000 0.207 227 Q C 1.674 177.768 176.000 0.156 0.000 0.970 227 Q CA 1.429 57.311 55.803 0.131 0.000 0.888 227 Q CB -0.136 28.650 28.738 0.080 0.000 0.951 227 Q HN 0.681 nan 8.270 nan 0.000 0.469 228 F N 0.519 120.491 119.950 0.037 0.000 2.480 228 F HA 0.062 3.737 4.527 -1.420 0.000 0.258 228 F C 1.192 177.013 175.800 0.035 0.000 0.941 228 F CA 0.503 58.516 58.000 0.022 0.000 1.085 228 F CB -0.157 38.855 39.000 0.020 0.000 1.222 228 F HN -0.082 nan 8.300 nan 0.000 0.724 229 D N 1.205 121.630 120.400 0.041 0.000 2.103 229 D HA -0.229 3.559 4.640 -1.420 0.000 0.190 229 D C 2.287 178.537 176.300 -0.083 0.000 0.997 229 D CA 2.398 56.350 54.000 -0.079 0.000 0.833 229 D CB -0.472 40.385 40.800 0.095 0.000 0.961 229 D HN 0.259 nan 8.370 nan 0.000 0.447 230 L N -0.063 121.190 121.223 0.050 0.000 2.093 230 L HA -0.071 3.417 4.340 -1.420 0.000 0.208 230 L C 2.559 179.563 176.870 0.224 0.000 1.085 230 L CA 0.785 55.710 54.840 0.142 0.000 0.755 230 L CB -0.310 41.858 42.059 0.181 0.000 0.904 230 L HN -0.000 nan 8.230 nan 0.000 0.435 231 R N -0.222 120.358 120.500 0.133 0.000 2.081 231 R HA -0.149 3.339 4.340 -1.420 0.000 0.235 231 R C 2.408 178.581 176.300 -0.212 0.000 1.131 231 R CA 1.318 57.339 56.100 -0.131 0.000 0.960 231 R CB 0.006 30.200 30.300 -0.176 0.000 0.856 231 R HN 0.197 nan 8.270 nan 0.000 0.436 232 M N 0.443 119.888 119.600 -0.260 0.000 2.117 232 M HA -0.145 3.483 4.480 -1.420 0.000 0.262 232 M C 2.258 178.508 176.300 -0.082 0.000 1.065 232 M CA 1.436 56.588 55.300 -0.247 0.000 1.114 232 M CB -0.784 31.524 32.600 -0.486 0.000 1.361 232 M HN 0.215 nan 8.290 nan 0.000 0.408 233 L N -0.437 120.711 121.223 -0.125 0.000 2.083 233 L HA -0.240 3.248 4.340 -1.420 0.000 0.209 233 L C 2.632 179.482 176.870 -0.033 0.000 1.083 233 L CA 1.139 55.920 54.840 -0.097 0.000 0.752 233 L CB -0.645 41.361 42.059 -0.089 0.000 0.899 233 L HN 0.283 nan 8.230 nan 0.000 0.433 234 Q N 0.689 120.473 119.800 -0.026 0.000 2.084 234 Q HA -0.205 3.283 4.340 -1.420 0.000 0.202 234 Q C 2.081 177.984 176.000 -0.160 0.000 0.978 234 Q CA 1.717 57.486 55.803 -0.057 0.000 0.844 234 Q CB -0.000 28.659 28.738 -0.131 0.000 0.898 234 Q HN 0.286 nan 8.270 nan 0.000 0.426 235 K N -1.151 119.131 120.400 -0.198 0.000 2.026 235 K HA -0.185 3.283 4.320 -1.420 0.000 0.208 235 K C 2.120 178.538 176.600 -0.303 0.000 1.048 235 K CA 1.568 57.701 56.287 -0.256 0.000 0.929 235 K CB -0.268 32.072 32.500 -0.266 0.000 0.713 235 K HN 0.386 nan 8.250 nan 0.000 0.439 236 H N 0.076 118.930 119.070 -0.360 0.000 2.353 236 H HA -0.075 3.629 4.556 -1.420 0.000 0.300 236 H C 1.973 176.957 175.328 -0.573 0.000 1.090 236 H CA 1.671 57.372 56.048 -0.579 0.000 1.327 236 H CB -0.230 29.303 29.762 -0.382 0.000 1.383 236 H HN 0.283 nan 8.280 nan 0.000 0.508 237 A N 0.900 123.643 122.820 -0.129 0.000 1.908 237 A HA -0.232 3.236 4.320 -1.420 0.000 0.218 237 A C 2.130 179.659 177.584 -0.091 0.000 1.181 237 A CA 1.986 53.990 52.037 -0.055 0.000 0.627 237 A CB -0.389 18.600 19.000 -0.018 0.000 0.818 237 A HN 0.535 nan 8.150 nan 0.000 0.445 238 E N -0.649 119.462 120.200 -0.148 0.000 2.072 238 E HA -0.159 3.339 4.350 -1.420 0.000 0.191 238 E C 2.359 178.868 176.600 -0.151 0.000 0.985 238 E CA 0.972 57.288 56.400 -0.139 0.000 0.801 238 E CB -0.177 29.419 29.700 -0.173 0.000 0.750 238 E HN 0.497 nan 8.360 nan 0.000 0.452 239 R N -0.024 120.317 120.500 -0.264 0.000 2.096 239 R HA -0.115 3.374 4.340 -1.420 0.000 0.235 239 R C 1.600 177.854 176.300 -0.078 0.000 1.127 239 R CA 1.089 57.036 56.100 -0.256 0.000 0.968 239 R CB -0.115 29.913 30.300 -0.454 0.000 0.861 239 R HN 0.274 nan 8.270 nan 0.000 0.440 240 Y N -0.190 120.087 120.300 -0.038 0.000 2.466 240 Y HA 0.180 3.878 4.550 -1.420 0.000 0.272 240 Y C 0.382 176.271 175.900 -0.018 0.000 1.169 240 Y CA -0.481 57.607 58.100 -0.019 0.000 1.285 240 Y CB -0.066 38.395 38.460 0.003 0.000 1.078 240 Y HN -0.098 nan 8.280 nan 0.000 0.523 241 R N -0.036 120.523 120.500 0.098 0.000 3.422 241 R HA -0.158 3.330 4.340 -1.420 0.000 0.267 241 R C -1.338 174.998 176.300 0.060 0.000 1.074 241 R CA 0.285 56.415 56.100 0.050 0.000 0.718 241 R CB -2.142 28.182 30.300 0.039 0.000 1.157 241 R HN 0.262 nan 8.270 nan 0.000 0.440 242 L N 0.305 121.574 121.223 0.077 0.000 2.346 242 L HA 0.601 4.089 4.340 -1.420 0.000 0.276 242 L C -1.987 174.905 176.870 0.036 0.000 1.006 242 L CA -2.373 52.507 54.840 0.066 0.000 0.817 242 L CB 1.920 44.045 42.059 0.110 0.000 1.272 242 L HN -0.149 nan 8.230 nan 0.000 0.421 243 P HA 0.120 nan 4.420 nan 0.000 0.276 243 P C -0.843 176.456 177.300 -0.003 0.000 1.230 243 P CA -0.424 62.679 63.100 0.006 0.000 0.776 243 P CB 0.823 32.523 31.700 0.001 0.000 0.888 244 L N 4.678 125.893 121.223 -0.013 0.000 2.314 244 L HA 0.285 3.773 4.340 -1.420 0.000 0.275 244 L C 0.246 177.068 176.870 -0.080 0.000 1.068 244 L CA -0.139 54.675 54.840 -0.043 0.000 0.894 244 L CB -0.312 41.732 42.059 -0.024 0.000 1.275 244 L HN 0.201 nan 8.230 nan 0.000 0.432 245 R N 5.731 126.180 120.500 -0.085 0.000 3.266 245 R HA 0.237 3.725 4.340 -1.420 0.000 0.224 245 R C 0.437 176.640 176.300 -0.161 0.000 1.525 245 R CA -0.102 55.945 56.100 -0.089 0.000 1.364 245 R CB 0.129 30.408 30.300 -0.035 0.000 1.276 245 R HN 0.687 nan 8.270 nan 0.000 0.660 246 L N 0.173 121.246 121.223 -0.250 0.000 2.607 246 L HA 0.195 3.683 4.340 -1.420 0.000 0.228 246 L C 1.182 177.970 176.870 -0.137 0.000 1.123 246 L CA -0.095 54.492 54.840 -0.421 0.000 0.890 246 L CB 0.248 41.983 42.059 -0.541 0.000 1.103 246 L HN 0.443 nan 8.230 nan 0.000 0.468 247 G N 0.064 108.798 108.800 -0.110 0.000 2.437 247 G HA2 0.474 3.582 3.960 -1.420 0.000 0.319 247 G HA3 0.474 3.582 3.960 -1.420 0.000 0.319 247 G C -0.202 174.613 174.900 -0.143 0.000 1.158 247 G CA -0.577 44.449 45.100 -0.125 0.000 0.899 247 G HN 0.041 nan 8.290 nan 0.000 0.502 248 R N -0.358 119.959 120.500 -0.306 0.000 2.774 248 R HA 0.195 3.683 4.340 -1.420 0.000 0.269 248 R C 0.131 176.255 176.300 -0.293 0.000 1.068 248 R CA 0.210 56.074 56.100 -0.395 0.000 1.180 248 R CB 0.246 30.010 30.300 -0.894 0.000 1.077 248 R HN 0.643 nan 8.270 nan 0.000 0.513 249 D N 0.756 121.090 120.400 -0.111 0.000 2.870 249 D HA -0.189 3.599 4.640 -1.420 0.000 0.228 249 D C -1.078 175.220 176.300 -0.005 0.000 1.147 249 D CA 1.064 55.086 54.000 0.037 0.000 0.757 249 D CB -1.569 39.313 40.800 0.138 0.000 1.091 249 D HN 0.852 nan 8.370 nan 0.000 0.429 250 N N -0.945 117.744 118.700 -0.018 0.000 2.714 250 N HA -0.251 3.637 4.740 -1.420 0.000 0.252 250 N C -0.604 174.889 175.510 -0.028 0.000 1.014 250 N CA 1.070 54.114 53.050 -0.010 0.000 0.735 250 N CB -0.854 37.637 38.487 0.006 0.000 0.924 250 N HN 0.570 nan 8.380 nan 0.000 0.540 251 S N -1.334 114.331 115.700 -0.058 0.000 2.651 251 S HA 0.457 4.075 4.470 -1.420 0.000 0.291 251 S C 0.009 174.566 174.600 -0.071 0.000 1.141 251 S CA -1.015 57.145 58.200 -0.065 0.000 1.027 251 S CB 2.086 65.230 63.200 -0.092 0.000 1.043 251 S HN 0.190 nan 8.310 nan 0.000 0.530 252 E N 0.445 120.610 120.200 -0.058 0.000 2.366 252 E HA 0.242 3.740 4.350 -1.420 0.000 0.266 252 E C -0.356 176.199 176.600 -0.075 0.000 1.051 252 E CA -0.619 55.748 56.400 -0.054 0.000 0.884 252 E CB 0.637 30.323 29.700 -0.024 0.000 1.006 252 E HN 0.538 nan 8.360 nan 0.000 0.417 253 L N 2.896 124.065 121.223 -0.089 0.000 2.490 253 L HA -0.004 3.485 4.340 -1.420 0.000 0.274 253 L C -0.224 176.571 176.870 -0.124 0.000 1.201 253 L CA 0.917 55.666 54.840 -0.152 0.000 0.869 253 L CB 0.256 42.223 42.059 -0.153 0.000 1.123 253 L HN 0.461 nan 8.230 nan 0.000 0.484 254 E N 3.474 123.540 120.200 -0.223 0.000 2.263 254 E HA 0.363 3.861 4.350 -1.420 0.000 0.264 254 E C -1.656 174.774 176.600 -0.282 0.000 0.923 254 E CA -0.539 55.793 56.400 -0.113 0.000 0.802 254 E CB 1.402 31.072 29.700 -0.051 0.000 1.228 254 E HN 0.557 nan 8.360 nan 0.000 0.417 255 W N 0.773 122.100 121.300 0.046 0.000 2.785 255 W HA 0.415 4.223 4.660 -1.420 0.000 0.333 255 W C -0.030 176.633 176.519 0.240 0.000 1.062 255 W CA -0.678 56.744 57.345 0.128 0.000 1.233 255 W CB 1.486 30.963 29.460 0.028 0.000 1.413 255 W HN 0.043 nan 8.180 nan 0.000 0.489 256 R N 1.767 122.589 120.500 0.537 0.000 2.628 256 R HA 0.284 3.772 4.340 -1.420 0.000 0.288 256 R C -0.739 175.778 176.300 0.363 0.000 0.980 256 R CA -1.223 55.120 56.100 0.406 0.000 0.891 256 R CB 2.495 32.923 30.300 0.213 0.000 1.188 256 R HN 0.643 nan 8.270 nan 0.000 0.450 257 E N 1.854 122.091 120.200 0.063 0.000 2.366 257 E HA -0.005 3.493 4.350 -1.420 0.000 0.266 257 E C -0.317 176.238 176.600 -0.075 0.000 1.051 257 E CA -0.353 55.798 56.400 -0.416 0.000 0.884 257 E CB 0.690 30.100 29.700 -0.482 0.000 1.006 257 E HN 0.363 nan 8.360 nan 0.000 0.417 258 H N 2.971 121.927 119.070 -0.190 0.000 2.897 258 H HA -0.021 3.683 4.556 -1.420 0.000 0.347 258 H C 1.047 176.278 175.328 -0.161 0.000 1.068 258 H CA 1.022 57.038 56.048 -0.053 0.000 1.426 258 H CB 1.292 30.939 29.762 -0.191 0.000 1.410 258 H HN 0.825 nan 8.280 nan 0.000 0.597 259 G N 4.076 112.604 108.800 -0.454 0.000 2.469 259 G HA2 -0.295 2.813 3.960 -1.420 0.000 0.220 259 G HA3 -0.295 2.813 3.960 -1.420 0.000 0.220 259 G C 0.969 175.886 174.900 0.029 0.000 1.136 259 G CA 1.336 46.311 45.100 -0.208 0.000 0.759 259 G HN 0.713 nan 8.290 nan 0.000 0.562 260 F N -1.482 118.636 119.950 0.280 0.000 2.880 260 F HA 0.527 4.203 4.527 -1.420 0.000 0.346 260 F C 0.281 176.178 175.800 0.161 0.000 1.054 260 F CA -1.268 56.851 58.000 0.199 0.000 1.151 260 F CB 0.273 39.357 39.000 0.140 0.000 1.066 260 F HN -0.189 nan 8.300 nan 0.000 0.566 261 K N 2.853 123.340 120.400 0.145 0.000 2.299 261 K HA 0.266 3.734 4.320 -1.420 0.000 0.268 261 K C -0.861 175.675 176.600 -0.106 0.000 1.075 261 K CA -0.599 55.636 56.287 -0.087 0.000 0.936 261 K CB 0.559 32.723 32.500 -0.560 0.000 1.228 261 K HN -0.021 nan 8.250 nan 0.000 0.454 262 N N 0.931 119.608 118.700 -0.038 0.000 2.530 262 N HA 0.142 4.030 4.740 -1.420 0.000 0.273 262 N C 1.169 176.629 175.510 -0.084 0.000 1.173 262 N CA 0.769 53.776 53.050 -0.071 0.000 0.967 262 N CB 1.238 39.715 38.487 -0.017 0.000 1.109 262 N HN 0.839 nan 8.380 nan 0.000 0.453 263 G N -0.926 107.810 108.800 -0.106 0.000 2.176 263 G HA2 -0.226 2.882 3.960 -1.420 0.000 0.232 263 G HA3 -0.226 2.882 3.960 -1.420 0.000 0.232 263 G C -0.153 174.733 174.900 -0.024 0.000 0.986 263 G CA 0.337 45.436 45.100 -0.002 0.000 0.643 263 G HN 0.851 nan 8.290 nan 0.000 0.522 264 V N -1.709 118.077 119.914 -0.214 0.000 2.417 264 V HA 0.898 4.166 4.120 -1.420 0.000 0.291 264 V C -0.414 175.461 176.094 -0.365 0.000 1.024 264 V CA -1.604 60.576 62.300 -0.200 0.000 0.861 264 V CB 1.220 32.885 31.823 -0.264 0.000 0.985 264 V HN 0.306 nan 8.190 nan 0.000 0.436 265 F N 4.545 124.447 119.950 -0.080 0.000 2.508 265 F HA 0.749 4.425 4.527 -1.419 0.000 0.325 265 F C -0.249 175.597 175.800 0.077 0.000 1.090 265 F CA -0.671 57.382 58.000 0.088 0.000 0.945 265 F CB 2.115 41.236 39.000 0.203 0.000 1.156 265 F HN 0.464 nan 8.300 nan 0.000 0.463 266 F N 1.753 121.927 119.950 0.373 0.000 2.422 266 F HA 0.663 4.338 4.527 -1.420 0.000 0.333 266 F C 0.395 176.176 175.800 -0.031 0.000 1.095 266 F CA -0.839 57.257 58.000 0.159 0.000 1.038 266 F CB 1.286 40.306 39.000 0.032 0.000 1.156 266 F HN 0.491 nan 8.300 nan 0.000 0.483 267 A N 3.241 125.934 122.820 -0.212 0.000 2.310 267 A HA 0.666 4.134 4.320 -1.420 0.000 0.299 267 A C -0.711 176.628 177.584 -0.408 0.000 1.147 267 A CA -0.479 51.022 52.037 -0.893 0.000 0.818 267 A CB 0.591 18.903 19.000 -1.147 0.000 1.096 267 A HN 0.796 nan 8.150 nan 0.000 0.495 268 Q N 0.111 119.656 119.800 -0.424 0.000 2.285 268 Q HA 0.582 4.071 4.340 -1.420 0.000 0.269 268 Q C -1.096 174.779 176.000 -0.208 0.000 1.030 268 Q CA -0.603 55.066 55.803 -0.222 0.000 0.788 268 Q CB 2.467 31.127 28.738 -0.131 0.000 1.266 268 Q HN 0.897 nan 8.270 nan 0.000 0.438 269 A N 2.652 125.386 122.820 -0.144 0.000 2.311 269 A HA 0.397 3.865 4.320 -1.420 0.000 0.306 269 A C -0.554 176.972 177.584 -0.098 0.000 1.189 269 A CA -0.683 51.278 52.037 -0.126 0.000 0.791 269 A CB 0.831 19.768 19.000 -0.105 0.000 1.172 269 A HN 0.683 nan 8.150 nan 0.000 0.481 270 K N 2.087 122.412 120.400 -0.125 0.000 2.511 270 K HA 0.256 3.724 4.320 -1.420 0.000 0.280 270 K C 1.185 177.514 176.600 -0.452 0.000 1.008 270 K CA 1.443 57.614 56.287 -0.193 0.000 1.050 270 K CB -0.040 32.258 32.500 -0.338 0.000 0.889 270 K HN 1.856 nan 8.250 nan 0.000 0.484 271 G N 3.525 112.083 108.800 -0.404 0.000 2.168 271 G HA2 -0.310 2.798 3.960 -1.420 0.000 0.263 271 G HA3 -0.310 2.798 3.960 -1.420 0.000 0.263 271 G C -0.266 174.574 174.900 -0.100 0.000 0.977 271 G CA 0.676 45.516 45.100 -0.434 0.000 0.659 271 G HN 0.676 nan 8.290 nan 0.000 0.533 272 R N -1.070 119.404 120.500 -0.045 0.000 2.795 272 R HA 0.725 4.213 4.340 -1.420 0.000 0.275 272 R C -0.278 176.047 176.300 0.041 0.000 0.981 272 R CA -1.027 55.091 56.100 0.031 0.000 0.917 272 R CB 1.488 31.818 30.300 0.050 0.000 1.202 272 R HN 0.128 nan 8.270 nan 0.000 0.469 273 L N 2.586 123.844 121.223 0.057 0.000 2.343 273 L HA 0.557 4.045 4.340 -1.420 0.000 0.275 273 L C -0.227 176.652 176.870 0.016 0.000 1.056 273 L CA -0.711 54.150 54.840 0.035 0.000 0.804 273 L CB 1.199 43.284 42.059 0.044 0.000 1.203 273 L HN 0.422 nan 8.230 nan 0.000 0.440 274 I N 4.197 124.766 120.570 -0.002 0.000 2.382 274 I HA 0.343 3.661 4.170 -1.420 0.000 0.286 274 I C -0.733 175.393 176.117 0.015 0.000 1.002 274 I CA -0.436 60.861 61.300 -0.004 0.000 1.135 274 I CB 1.765 39.746 38.000 -0.031 0.000 1.288 274 I HN 0.320 nan 8.210 nan 0.000 0.448 275 I N 4.811 125.398 120.570 0.028 0.000 2.411 275 I HA 0.227 3.545 4.170 -1.420 0.000 0.284 275 I C -0.325 175.875 176.117 0.138 0.000 1.012 275 I CA -0.505 60.856 61.300 0.101 0.000 1.119 275 I CB 1.379 39.481 38.000 0.170 0.000 1.261 275 I HN 0.507 nan 8.210 nan 0.000 0.448 276 D N 4.378 124.837 120.400 0.100 0.000 2.312 276 D HA 0.277 4.065 4.640 -1.420 0.000 0.252 276 D C 1.415 177.692 176.300 -0.038 0.000 1.150 276 D CA -0.017 53.995 54.000 0.020 0.000 0.870 276 D CB 1.853 42.625 40.800 -0.046 0.000 1.153 276 D HN 0.702 nan 8.370 nan 0.000 0.457 277 G N 3.656 112.445 108.800 -0.020 0.000 2.442 277 G HA2 -0.228 2.880 3.960 -1.420 0.000 0.219 277 G HA3 -0.228 2.880 3.960 -1.420 0.000 0.219 277 G C 1.610 176.121 174.900 -0.649 0.000 1.141 277 G CA 0.594 45.594 45.100 -0.167 0.000 0.763 277 G HN 0.655 nan 8.290 nan 0.000 0.554 278 I N 0.436 120.401 120.570 -1.008 0.000 2.142 278 I HA -0.123 3.195 4.170 -1.420 0.000 0.240 278 I C 2.743 178.490 176.117 -0.616 0.000 1.078 278 I CA 1.107 61.887 61.300 -0.865 0.000 1.343 278 I CB -0.166 37.330 38.000 -0.841 0.000 1.046 278 I HN 0.083 nan 8.210 nan 0.000 0.405 279 E N 0.974 120.893 120.200 -0.470 0.000 2.106 279 E HA -0.163 3.335 4.350 -1.420 0.000 0.192 279 E C 2.292 178.538 176.600 -0.589 0.000 0.984 279 E CA 1.360 57.497 56.400 -0.438 0.000 0.806 279 E CB -0.348 29.212 29.700 -0.234 0.000 0.750 279 E HN 0.496 nan 8.360 nan 0.000 0.458 280 A N 1.447 123.993 122.820 -0.456 0.000 1.877 280 A HA -0.138 3.330 4.320 -1.420 0.000 0.216 280 A C 2.384 179.755 177.584 -0.355 0.000 1.186 280 A CA 1.115 52.908 52.037 -0.408 0.000 0.620 280 A CB -0.726 18.131 19.000 -0.239 0.000 0.822 280 A HN 0.181 nan 8.150 nan 0.000 0.443 281 L N -0.841 120.200 121.223 -0.303 0.000 2.083 281 L HA -0.201 3.287 4.340 -1.420 0.000 0.209 281 L C 2.568 179.448 176.870 0.016 0.000 1.083 281 L CA 1.714 56.489 54.840 -0.108 0.000 0.752 281 L CB -0.580 41.529 42.059 0.084 0.000 0.899 281 L HN 0.414 nan 8.230 nan 0.000 0.433 282 K N 0.107 120.401 120.400 -0.177 0.000 2.097 282 K HA -0.161 3.307 4.320 -1.420 0.000 0.206 282 K C 2.315 178.727 176.600 -0.314 0.000 1.049 282 K CA 1.718 57.883 56.287 -0.203 0.000 0.933 282 K CB -0.198 32.069 32.500 -0.388 0.000 0.717 282 K HN 0.330 nan 8.250 nan 0.000 0.442 283 S N 0.598 116.052 115.700 -0.411 0.000 2.447 283 S HA -0.063 3.555 4.470 -1.420 0.000 0.233 283 S C 1.794 175.990 174.600 -0.673 0.000 1.006 283 S CA 0.934 58.866 58.200 -0.447 0.000 0.957 283 S CB -0.012 62.987 63.200 -0.336 0.000 0.773 283 S HN 0.256 nan 8.310 nan 0.000 0.507 284 A N -0.336 122.127 122.820 -0.594 0.000 2.379 284 A HA 0.597 4.065 4.320 -1.420 0.000 0.236 284 A C 0.510 177.822 177.584 -0.455 0.000 1.272 284 A CA -0.368 51.189 52.037 -0.801 0.000 0.886 284 A CB -0.944 17.558 19.000 -0.830 0.000 0.962 284 A HN 0.597 nan 8.150 nan 0.000 0.504 285 F N -4.634 115.288 119.950 -0.047 0.000 2.953 285 F HA -0.227 3.448 4.527 -1.421 0.000 0.292 285 F C 0.095 175.820 175.800 -0.125 0.000 0.747 285 F CA 0.030 57.981 58.000 -0.082 0.000 1.222 285 F CB -2.734 36.178 39.000 -0.147 0.000 1.457 285 F HN 0.452 nan 8.300 nan 0.000 0.383 286 W N 1.496 122.805 121.300 0.015 0.000 2.202 286 W HA 0.531 4.339 4.660 -1.420 0.000 0.332 286 W C 0.725 177.241 176.519 -0.005 0.000 1.263 286 W CA 0.054 57.380 57.345 -0.031 0.000 1.223 286 W CB 0.318 29.831 29.460 0.088 0.000 1.128 286 W HN -0.082 nan 8.180 nan 0.000 0.573 287 N N 1.600 120.189 118.700 -0.185 0.000 2.242 287 N HA 0.558 4.446 4.740 -1.420 0.000 0.292 287 N C -1.743 173.296 175.510 -0.786 0.000 1.125 287 N CA -0.751 52.186 53.050 -0.188 0.000 0.783 287 N CB 1.484 39.947 38.487 -0.041 0.000 1.558 287 N HN 0.184 nan 8.380 nan 0.000 0.472 288 F N -0.702 119.131 119.950 -0.197 0.000 2.643 288 F HA 0.229 3.904 4.527 -1.420 0.000 0.314 288 F C 1.759 177.476 175.800 -0.139 0.000 1.096 288 F CA -0.721 57.140 58.000 -0.232 0.000 0.953 288 F CB 1.259 39.987 39.000 -0.454 0.000 1.345 288 F HN 0.450 nan 8.300 nan 0.000 0.468 289 S N -0.493 115.278 115.700 0.119 0.000 2.400 289 S HA -0.040 3.578 4.470 -1.420 0.000 0.232 289 S C 0.600 175.261 174.600 0.102 0.000 1.025 289 S CA 1.035 59.288 58.200 0.088 0.000 0.993 289 S CB -0.281 62.962 63.200 0.071 0.000 0.808 289 S HN 0.732 nan 8.310 nan 0.000 0.478 290 S N -1.210 114.539 115.700 0.082 0.000 2.547 290 S HA 0.614 4.232 4.470 -1.420 0.000 0.270 290 S C -1.018 173.608 174.600 0.043 0.000 1.150 290 S CA -0.880 57.392 58.200 0.119 0.000 0.850 290 S CB 0.463 63.725 63.200 0.105 0.000 1.118 290 S HN 0.095 nan 8.310 nan 0.000 0.461 291 F N 2.805 122.859 119.950 0.174 0.000 2.645 291 F HA 0.290 3.965 4.527 -1.420 0.000 0.300 291 F C 1.515 177.506 175.800 0.319 0.000 1.115 291 F CA 0.085 58.214 58.000 0.215 0.000 1.355 291 F CB 0.265 39.355 39.000 0.150 0.000 1.026 291 F HN 0.672 nan 8.300 nan 0.000 0.536 292 S N -0.154 115.716 115.700 0.283 0.000 2.579 292 S HA 0.032 3.650 4.470 -1.420 0.000 0.275 292 S C 1.276 175.913 174.600 0.061 0.000 1.345 292 S CA -0.690 57.651 58.200 0.235 0.000 1.031 292 S CB 1.120 64.368 63.200 0.081 0.000 0.892 292 S HN 0.314 nan 8.310 nan 0.000 0.529 293 L N 1.974 123.090 121.223 -0.177 0.000 2.079 293 L HA -0.122 3.366 4.340 -1.420 0.000 0.210 293 L C 2.646 179.235 176.870 -0.468 0.000 1.081 293 L CA 2.434 56.813 54.840 -0.769 0.000 0.752 293 L CB -1.251 40.292 42.059 -0.860 0.000 0.896 293 L HN 1.013 nan 8.230 nan 0.000 0.433 294 E N -1.864 118.181 120.200 -0.259 0.000 2.058 294 E HA -0.240 3.259 4.350 -1.420 0.000 0.194 294 E C 1.787 178.280 176.600 -0.178 0.000 0.997 294 E CA 1.961 58.251 56.400 -0.183 0.000 0.801 294 E CB -0.898 28.744 29.700 -0.097 0.000 0.746 294 E HN 0.461 nan 8.360 nan 0.000 0.450 295 T N 1.082 115.544 114.554 -0.155 0.000 2.737 295 T HA -0.086 3.412 4.350 -1.420 0.000 0.265 295 T C 2.112 176.660 174.700 -0.254 0.000 1.038 295 T CA 1.485 63.501 62.100 -0.141 0.000 1.144 295 T CB -0.251 68.568 68.868 -0.081 0.000 0.866 295 T HN 0.051 nan 8.240 nan 0.000 0.434 296 V N 1.798 121.451 119.914 -0.436 0.000 2.343 296 V HA -0.169 3.099 4.120 -1.420 0.000 0.247 296 V C 2.879 178.674 176.094 -0.499 0.000 1.051 296 V CA 1.681 63.523 62.300 -0.763 0.000 1.036 296 V CB -1.213 30.093 31.823 -0.862 0.000 0.654 296 V HN 0.528 nan 8.190 nan 0.000 0.451 297 A N -0.421 122.151 122.820 -0.413 0.000 1.902 297 A HA -0.310 3.158 4.320 -1.420 0.000 0.217 297 A C 2.257 179.734 177.584 -0.178 0.000 1.181 297 A CA 2.150 54.009 52.037 -0.296 0.000 0.623 297 A CB -0.514 18.308 19.000 -0.297 0.000 0.818 297 A HN 0.623 nan 8.150 nan 0.000 0.443 298 Q N -0.146 119.564 119.800 -0.150 0.000 2.079 298 Q HA -0.192 3.296 4.340 -1.420 0.000 0.200 298 Q C 1.852 177.832 176.000 -0.034 0.000 0.974 298 Q CA 1.820 57.577 55.803 -0.078 0.000 0.840 298 Q CB -0.193 28.509 28.738 -0.060 0.000 0.898 298 Q HN 0.760 nan 8.270 nan 0.000 0.430 299 E N 0.190 120.378 120.200 -0.019 0.000 2.072 299 E HA -0.144 3.354 4.350 -1.420 0.000 0.191 299 E C 2.135 178.805 176.600 0.117 0.000 0.985 299 E CA 1.116 57.569 56.400 0.088 0.000 0.801 299 E CB -0.005 29.836 29.700 0.235 0.000 0.750 299 E HN 0.434 nan 8.360 nan 0.000 0.452 300 L N 0.183 121.447 121.223 0.067 0.000 2.127 300 L HA -0.026 3.462 4.340 -1.420 0.000 0.203 300 L C 2.205 179.092 176.870 0.029 0.000 1.080 300 L CA 0.710 55.599 54.840 0.082 0.000 0.768 300 L CB -0.033 42.035 42.059 0.015 0.000 0.924 300 L HN 0.093 nan 8.230 nan 0.000 0.444 301 L N -1.185 120.025 121.223 -0.022 0.000 2.638 301 L HA 0.330 3.818 4.340 -1.420 0.000 0.232 301 L C 1.291 178.151 176.870 -0.016 0.000 1.099 301 L CA 0.441 55.269 54.840 -0.021 0.000 0.883 301 L CB 0.103 42.131 42.059 -0.052 0.000 1.136 301 L HN 0.371 nan 8.230 nan 0.000 0.492 302 G N 0.652 109.443 108.800 -0.016 0.000 2.147 302 G HA2 -0.228 2.880 3.960 -1.420 0.000 0.244 302 G HA3 -0.228 2.880 3.960 -1.420 0.000 0.244 302 G C 0.073 174.959 174.900 -0.023 0.000 1.005 302 G CA -0.157 44.937 45.100 -0.010 0.000 0.713 302 G HN 0.333 nan 8.290 nan 0.000 0.515 303 E N 0.638 120.812 120.200 -0.044 0.000 2.289 303 E HA 0.437 3.935 4.350 -1.420 0.000 0.278 303 E C 1.116 177.690 176.600 -0.043 0.000 1.032 303 E CA 0.384 56.755 56.400 -0.049 0.000 0.854 303 E CB 1.136 30.791 29.700 -0.075 0.000 1.046 303 E HN 0.418 nan 8.360 nan 0.000 0.409 304 G N 3.463 112.246 108.800 -0.029 0.000 2.483 304 G HA2 0.038 3.146 3.960 -1.420 0.000 0.248 304 G HA3 0.038 3.146 3.960 -1.420 0.000 0.248 304 G C 0.265 175.150 174.900 -0.025 0.000 1.248 304 G CA -0.474 44.613 45.100 -0.022 0.000 0.838 304 G HN 0.284 nan 8.290 nan 0.000 0.566 305 K N 0.716 121.103 120.400 -0.022 0.000 2.276 305 K HA 0.165 3.633 4.320 -1.420 0.000 0.259 305 K C 0.864 177.460 176.600 -0.007 0.000 1.001 305 K CA -0.226 56.049 56.287 -0.020 0.000 0.927 305 K CB 1.251 33.742 32.500 -0.016 0.000 0.969 305 K HN 0.473 nan 8.250 nan 0.000 0.490 309 N N -0.360 118.356 118.700 0.026 0.000 4.756 309 N HA 0.016 3.904 4.740 -1.420 0.000 0.378 309 N C -2.465 173.056 175.510 0.019 0.000 2.044 309 N CA 0.113 53.185 53.050 0.035 0.000 2.654 309 N CB -1.542 nan 38.487 nan 0.000 0.449 309 N HN 0.246 nan 8.380 nan 0.000 0.584 310 P HA -0.124 nan 4.420 nan 0.000 0.216 310 P C 1.085 178.302 177.300 -0.137 0.000 1.150 310 P CA 2.117 65.134 63.100 -0.139 0.000 0.837 310 P CB -0.137 31.409 31.700 -0.256 0.000 0.786 311 W N 1.056 122.345 121.300 -0.018 0.000 2.355 311 W HA -0.092 3.716 4.660 -1.420 0.000 0.309 311 W C 2.387 178.897 176.519 -0.015 0.000 1.206 311 W CA 0.936 58.273 57.345 -0.014 0.000 1.284 311 W CB -0.635 28.821 29.460 -0.007 0.000 1.145 311 W HN -0.035 nan 8.180 nan 0.000 0.502 312 D N -0.533 120.003 120.400 0.227 0.000 2.224 312 D HA -0.124 3.664 4.640 -1.420 0.000 0.205 312 D C 2.056 178.385 176.300 0.048 0.000 0.965 312 D CA 0.891 54.961 54.000 0.117 0.000 0.852 312 D CB -0.288 40.561 40.800 0.082 0.000 0.947 312 D HN 0.222 nan 8.370 nan 0.000 0.494 313 R N 0.501 121.011 120.500 0.017 0.000 2.066 313 R HA -0.133 3.355 4.340 -1.420 0.000 0.232 313 R C 2.228 178.503 176.300 -0.043 0.000 1.131 313 R CA 1.026 57.100 56.100 -0.043 0.000 0.955 313 R CB -0.166 30.105 30.300 -0.048 0.000 0.851 313 R HN -0.020 nan 8.270 nan 0.000 0.432 314 M N 1.452 121.044 119.600 -0.013 0.000 2.117 314 M HA -0.135 3.493 4.480 -1.420 0.000 0.262 314 M C 1.124 177.457 176.300 0.056 0.000 1.065 314 M CA 1.829 57.136 55.300 0.011 0.000 1.114 314 M CB -0.220 32.373 32.600 -0.011 0.000 1.361 314 M HN 0.105 nan 8.290 nan 0.000 0.408 315 D N -0.402 120.046 120.400 0.081 0.000 2.144 315 D HA -0.174 3.614 4.640 -1.420 0.000 0.199 315 D C 1.951 178.271 176.300 0.034 0.000 0.984 315 D CA 1.380 55.427 54.000 0.079 0.000 0.834 315 D CB -0.341 40.513 40.800 0.089 0.000 0.955 315 D HN 0.462 nan 8.370 nan 0.000 0.465 316 E N 0.676 120.873 120.200 -0.005 0.000 2.077 316 E HA -0.090 3.408 4.350 -1.420 0.000 0.193 316 E C 2.104 178.656 176.600 -0.080 0.000 0.989 316 E CA 0.659 57.027 56.400 -0.053 0.000 0.800 316 E CB -0.338 29.304 29.700 -0.098 0.000 0.746 316 E HN 0.289 nan 8.360 nan 0.000 0.452 317 I N 0.893 121.411 120.570 -0.087 0.000 2.226 317 I HA -0.250 3.068 4.170 -1.420 0.000 0.245 317 I C 1.662 177.770 176.117 -0.015 0.000 1.100 317 I CA 1.346 62.603 61.300 -0.071 0.000 1.374 317 I CB -0.284 37.717 38.000 0.001 0.000 1.057 317 I HN 0.106 nan 8.210 nan 0.000 0.413 318 D N 0.480 120.918 120.400 0.063 0.000 2.117 318 D HA -0.198 3.590 4.640 -1.420 0.000 0.197 318 D C 2.175 178.510 176.300 0.059 0.000 0.987 318 D CA 1.032 55.091 54.000 0.099 0.000 0.829 318 D CB -0.364 40.533 40.800 0.163 0.000 0.961 318 D HN 0.266 nan 8.370 nan 0.000 0.460 319 R N 0.973 121.494 120.500 0.035 0.000 2.081 319 R HA -0.084 3.404 4.340 -1.420 0.000 0.235 319 R C 2.215 178.513 176.300 -0.003 0.000 1.131 319 R CA 1.067 57.178 56.100 0.019 0.000 0.960 319 R CB 0.065 30.369 30.300 0.007 0.000 0.856 319 R HN 0.099 nan 8.270 nan 0.000 0.436 320 R N -0.685 119.803 120.500 -0.020 0.000 2.096 320 R HA -0.156 3.332 4.340 -1.420 0.000 0.235 320 R C 2.209 178.497 176.300 -0.020 0.000 1.127 320 R CA 1.593 57.679 56.100 -0.023 0.000 0.968 320 R CB -0.432 29.848 30.300 -0.033 0.000 0.861 320 R HN 0.250 nan 8.270 nan 0.000 0.440 321 F N 1.331 121.149 119.950 -0.220 0.000 2.146 321 F HA -0.074 3.601 4.527 -1.420 0.000 0.298 321 F C 2.262 177.978 175.800 -0.140 0.000 1.096 321 F CA 1.200 59.030 58.000 -0.283 0.000 1.275 321 F CB -0.251 38.298 39.000 -0.752 0.000 1.008 321 F HN -0.043 nan 8.300 nan 0.000 0.480 322 A N -0.410 122.381 122.820 -0.048 0.000 1.898 322 A HA -0.136 3.332 4.320 -1.420 0.000 0.216 322 A C 2.100 179.623 177.584 -0.101 0.000 1.181 322 A CA 1.996 53.995 52.037 -0.064 0.000 0.620 322 A CB -0.577 18.446 19.000 0.039 0.000 0.819 322 A HN 0.530 nan 8.150 nan 0.000 0.442 323 E N -2.067 118.090 120.200 -0.071 0.000 2.256 323 E HA 0.027 3.525 4.350 -1.420 0.000 0.198 323 E C -0.465 176.099 176.600 -0.060 0.000 0.908 323 E CA 0.379 56.744 56.400 -0.058 0.000 0.915 323 E CB 0.523 30.205 29.700 -0.029 0.000 0.890 323 E HN 0.345 nan 8.360 nan 0.000 0.484 324 D N 0.125 120.494 120.400 -0.051 0.000 2.468 324 D HA 0.135 3.923 4.640 -1.420 0.000 0.272 324 D C 0.085 176.384 176.300 -0.003 0.000 1.221 324 D CA -0.053 53.933 54.000 -0.023 0.000 0.860 324 D CB 0.455 41.251 40.800 -0.006 0.000 1.190 324 D HN -0.134 nan 8.370 nan 0.000 0.509 325 K N 0.858 121.254 120.400 -0.007 0.000 2.152 325 K HA -0.083 3.385 4.320 -1.420 0.000 0.206 325 K C -1.030 175.627 176.600 0.095 0.000 1.048 325 K CA 1.087 57.402 56.287 0.047 0.000 0.933 325 K CB -0.220 32.332 32.500 0.086 0.000 0.721 325 K HN 0.305 nan 8.250 nan 0.000 0.447 326 P HA -0.133 nan 4.420 nan 0.000 0.217 326 P C 0.987 178.369 177.300 0.137 0.000 1.150 326 P CA 1.413 64.575 63.100 0.103 0.000 0.832 326 P CB 0.080 31.816 31.700 0.059 0.000 0.787 327 A N -0.739 122.138 122.820 0.095 0.000 1.930 327 A HA -0.166 3.302 4.320 -1.420 0.000 0.217 327 A C 2.086 179.742 177.584 0.120 0.000 1.175 327 A CA 1.309 53.403 52.037 0.095 0.000 0.627 327 A CB -1.579 17.451 19.000 0.049 0.000 0.815 327 A HN 0.146 nan 8.150 nan 0.000 0.443 328 L N -0.292 120.997 121.223 0.110 0.000 2.056 328 L HA 0.022 3.510 4.340 -1.420 0.000 0.207 328 L C 2.644 179.625 176.870 0.185 0.000 1.078 328 L CA 2.115 57.040 54.840 0.141 0.000 0.749 328 L CB -0.852 41.281 42.059 0.123 0.000 0.901 328 L HN 0.315 nan 8.230 nan 0.000 0.433 329 A N -1.483 121.432 122.820 0.158 0.000 1.908 329 A HA -0.213 3.255 4.320 -1.420 0.000 0.218 329 A C 2.262 179.855 177.584 0.014 0.000 1.181 329 A CA 2.334 54.445 52.037 0.123 0.000 0.627 329 A CB -1.243 17.904 19.000 0.245 0.000 0.818 329 A HN 0.516 nan 8.150 nan 0.000 0.445 330 T N -1.596 113.055 114.554 0.162 0.000 2.746 330 T HA -0.171 3.327 4.350 -1.420 0.000 0.267 330 T C 1.787 176.481 174.700 -0.010 0.000 1.039 330 T CA 1.694 63.838 62.100 0.074 0.000 1.142 330 T CB -0.418 68.575 68.868 0.208 0.000 0.866 330 T HN 0.629 nan 8.240 nan 0.000 0.444 331 Y N 2.599 122.871 120.300 -0.046 0.000 2.200 331 Y HA -0.139 3.559 4.550 -1.420 0.000 0.290 331 Y C 2.403 178.247 175.900 -0.092 0.000 1.137 331 Y CA 1.407 59.472 58.100 -0.057 0.000 1.163 331 Y CB -0.539 37.907 38.460 -0.023 0.000 0.988 331 Y HN 0.090 nan 8.280 nan 0.000 0.518 332 N N 0.721 119.346 118.700 -0.126 0.000 2.058 332 N HA -0.199 3.689 4.740 -1.420 0.000 0.191 332 N C 1.834 177.155 175.510 -0.316 0.000 1.037 332 N CA 1.788 54.704 53.050 -0.223 0.000 0.848 332 N CB -0.708 37.745 38.487 -0.058 0.000 1.021 332 N HN 0.474 nan 8.380 nan 0.000 0.422 333 L N 1.374 122.374 121.223 -0.371 0.000 2.131 333 L HA -0.036 3.452 4.340 -1.420 0.000 0.210 333 L C 2.275 178.936 176.870 -0.349 0.000 1.092 333 L CA 1.651 56.226 54.840 -0.441 0.000 0.759 333 L CB -0.673 40.920 42.059 -0.776 0.000 0.903 333 L HN 0.207 nan 8.230 nan 0.000 0.435 334 K N -0.801 119.407 120.400 -0.320 0.000 2.057 334 K HA -0.198 3.270 4.320 -1.420 0.000 0.207 334 K C 1.871 178.303 176.600 -0.280 0.000 1.049 334 K CA 1.558 57.693 56.287 -0.254 0.000 0.931 334 K CB -0.077 32.302 32.500 -0.202 0.000 0.714 334 K HN 0.369 nan 8.250 nan 0.000 0.440 335 N N 0.795 119.273 118.700 -0.370 0.000 2.120 335 N HA -0.160 3.728 4.740 -1.420 0.000 0.188 335 N C 1.880 177.237 175.510 -0.255 0.000 1.024 335 N CA 1.436 54.275 53.050 -0.351 0.000 0.852 335 N CB -0.751 37.485 38.487 -0.419 0.000 1.003 335 N HN 0.298 nan 8.380 nan 0.000 0.424 336 C N 1.209 120.369 119.300 -0.234 0.000 2.432 336 C HA -0.056 3.552 4.460 -1.420 0.000 0.277 336 C C 2.506 177.400 174.990 -0.159 0.000 1.249 336 C CA 0.385 59.292 59.018 -0.184 0.000 1.725 336 C CB -0.938 26.684 27.740 -0.197 0.000 2.028 336 C HN 0.530 nan 8.230 nan 0.000 0.477 337 E N 0.631 120.732 120.200 -0.165 0.000 2.110 337 E HA -0.156 3.342 4.350 -1.420 0.000 0.193 337 E C 2.065 178.605 176.600 -0.100 0.000 0.988 337 E CA 0.944 57.276 56.400 -0.113 0.000 0.804 337 E CB -0.213 29.418 29.700 -0.116 0.000 0.745 337 E HN 0.638 nan 8.360 nan 0.000 0.458 338 L N 0.504 121.635 121.223 -0.154 0.000 2.083 338 L HA -0.170 3.318 4.340 -1.420 0.000 0.209 338 L C 2.454 179.224 176.870 -0.165 0.000 1.083 338 L CA 0.694 55.429 54.840 -0.175 0.000 0.752 338 L CB -0.373 41.532 42.059 -0.258 0.000 0.899 338 L HN 0.062 nan 8.230 nan 0.000 0.433 339 V N -0.584 119.233 119.914 -0.162 0.000 2.295 339 V HA -0.274 2.994 4.120 -1.420 0.000 0.246 339 V C 2.561 178.655 176.094 0.000 0.000 1.049 339 V CA 2.324 64.582 62.300 -0.069 0.000 1.024 339 V CB -0.727 31.064 31.823 -0.054 0.000 0.648 339 V HN 0.465 nan 8.190 nan 0.000 0.447 340 T N -0.734 113.791 114.554 -0.048 0.000 2.720 340 T HA -0.236 3.262 4.350 -1.420 0.000 0.268 340 T C 1.989 176.792 174.700 0.171 0.000 1.037 340 T CA 1.397 63.526 62.100 0.049 0.000 1.144 340 T CB -0.273 68.654 68.868 0.098 0.000 0.864 340 T HN 0.380 nan 8.240 nan 0.000 0.444 341 Q N 0.385 120.267 119.800 0.136 0.000 2.124 341 Q HA 0.062 3.550 4.340 -1.420 0.000 0.202 341 Q C 2.432 178.515 176.000 0.138 0.000 0.977 341 Q CA 1.074 56.976 55.803 0.165 0.000 0.850 341 Q CB -0.530 28.244 28.738 0.059 0.000 0.901 341 Q HN 0.551 nan 8.270 nan 0.000 0.429 342 I N -0.285 120.330 120.570 0.075 0.000 2.226 342 I HA -0.250 3.068 4.170 -1.420 0.000 0.245 342 I C 2.013 178.172 176.117 0.070 0.000 1.100 342 I CA 0.995 62.306 61.300 0.018 0.000 1.374 342 I CB -0.284 37.690 38.000 -0.044 0.000 1.057 342 I HN 0.069 nan 8.210 nan 0.000 0.413 343 F N 0.128 120.034 119.950 -0.073 0.000 2.134 343 F HA -0.270 3.405 4.527 -1.420 0.000 0.299 343 F C 2.715 178.527 175.800 0.020 0.000 1.097 343 F CA 1.280 59.212 58.000 -0.114 0.000 1.264 343 F CB -0.311 38.508 39.000 -0.301 0.000 1.001 343 F HN 0.155 nan 8.300 nan 0.000 0.479 344 H N -0.123 119.182 119.070 0.391 0.000 2.326 344 H HA -0.109 3.595 4.556 -1.420 0.000 0.301 344 H C 2.235 177.646 175.328 0.139 0.000 1.081 344 H CA 1.216 57.431 56.048 0.278 0.000 1.334 344 H CB -0.483 29.395 29.762 0.192 0.000 1.385 344 H HN 0.190 nan 8.280 nan 0.000 0.504 345 K N 0.545 121.068 120.400 0.205 0.000 2.097 345 K HA -0.113 3.355 4.320 -1.420 0.000 0.206 345 K C 1.944 178.579 176.600 0.059 0.000 1.049 345 K CA 1.778 58.130 56.287 0.110 0.000 0.933 345 K CB 0.071 32.606 32.500 0.057 0.000 0.717 345 K HN 0.415 nan 8.250 nan 0.000 0.442 346 T N -1.454 113.038 114.554 -0.104 0.000 3.088 346 T HA 0.013 3.511 4.350 -1.420 0.000 0.259 346 T C 0.135 174.872 174.700 0.062 0.000 1.122 346 T CA 0.172 62.118 62.100 -0.257 0.000 1.095 346 T CB 0.061 68.396 68.868 -0.889 0.000 0.930 346 T HN 0.182 nan 8.240 nan 0.000 0.508 347 E N -0.208 120.061 120.200 0.115 0.000 2.440 347 E HA -0.200 3.298 4.350 -1.420 0.000 0.246 347 E C 0.628 177.329 176.600 0.169 0.000 1.165 347 E CA 0.500 57.017 56.400 0.195 0.000 0.726 347 E CB -2.096 27.737 29.700 0.221 0.000 1.271 347 E HN 0.552 nan 8.360 nan 0.000 0.397 348 I N -0.357 120.225 120.570 0.018 0.000 2.361 348 I HA -0.229 3.089 4.170 -1.420 0.000 0.251 348 I C 2.098 178.277 176.117 0.103 0.000 1.133 348 I CA 1.318 62.594 61.300 -0.041 0.000 1.413 348 I CB -0.028 37.716 38.000 -0.428 0.000 1.073 348 I HN 0.153 nan 8.210 nan 0.000 0.424 349 M N 0.222 119.895 119.600 0.121 0.000 2.132 349 M HA -0.047 3.581 4.480 -1.420 0.000 0.263 349 M C -0.128 176.269 176.300 0.162 0.000 1.065 349 M CA 1.742 57.135 55.300 0.156 0.000 1.122 349 M CB -2.508 30.253 32.600 0.268 0.000 1.365 349 M HN 0.089 nan 8.290 nan 0.000 0.411 350 P HA -0.153 nan 4.420 nan 0.000 0.217 350 P C 1.684 179.079 177.300 0.159 0.000 1.150 350 P CA 1.065 64.248 63.100 0.138 0.000 0.832 350 P CB -0.318 31.478 31.700 0.160 0.000 0.787 351 F N 0.247 120.246 119.950 0.083 0.000 2.102 351 F HA -0.183 3.492 4.527 -1.420 0.000 0.298 351 F C 1.893 177.741 175.800 0.079 0.000 1.105 351 F CA 1.553 59.608 58.000 0.092 0.000 1.239 351 F CB -0.915 38.154 39.000 0.115 0.000 0.991 351 F HN -0.260 nan 8.300 nan 0.000 0.474 352 L N -0.056 121.267 121.223 0.166 0.000 2.083 352 L HA -0.228 3.260 4.340 -1.420 0.000 0.209 352 L C 2.470 179.333 176.870 -0.013 0.000 1.083 352 L CA 1.059 55.925 54.840 0.043 0.000 0.752 352 L CB -0.744 41.407 42.059 0.155 0.000 0.899 352 L HN 0.264 nan 8.230 nan 0.000 0.433 353 L N -0.834 120.392 121.223 0.005 0.000 2.056 353 L HA -0.161 3.327 4.340 -1.420 0.000 0.207 353 L C 2.740 179.660 176.870 0.083 0.000 1.078 353 L CA 0.929 55.784 54.840 0.024 0.000 0.749 353 L CB -0.533 41.410 42.059 -0.193 0.000 0.901 353 L HN 0.257 nan 8.230 nan 0.000 0.433 354 E N 0.115 120.307 120.200 -0.014 0.000 2.047 354 E HA -0.217 3.281 4.350 -1.420 0.000 0.191 354 E C 2.175 178.727 176.600 -0.080 0.000 0.987 354 E CA 0.973 57.359 56.400 -0.023 0.000 0.799 354 E CB -0.240 29.432 29.700 -0.048 0.000 0.752 354 E HN 0.360 nan 8.360 nan 0.000 0.449 355 R N 0.578 120.933 120.500 -0.240 0.000 2.081 355 R HA -0.108 3.380 4.340 -1.420 0.000 0.235 355 R C 2.216 178.467 176.300 -0.081 0.000 1.131 355 R CA 1.455 57.411 56.100 -0.240 0.000 0.960 355 R CB -0.178 29.858 30.300 -0.442 0.000 0.856 355 R HN 0.141 nan 8.270 nan 0.000 0.436 356 A N -0.199 122.605 122.820 -0.025 0.000 1.933 356 A HA -0.124 3.344 4.320 -1.420 0.000 0.218 356 A C 2.131 179.721 177.584 0.010 0.000 1.175 356 A CA 1.957 54.003 52.037 0.014 0.000 0.628 356 A CB -0.782 18.273 19.000 0.092 0.000 0.814 356 A HN 0.439 nan 8.150 nan 0.000 0.444 357 T N -0.510 114.082 114.554 0.063 0.000 2.833 357 T HA -0.096 3.402 4.350 -1.420 0.000 0.269 357 T C 1.819 176.540 174.700 0.035 0.000 1.054 357 T CA 1.577 63.704 62.100 0.046 0.000 1.135 357 T CB -0.257 68.681 68.868 0.116 0.000 0.869 357 T HN 0.180 nan 8.240 nan 0.000 0.466 358 V N 3.126 123.059 119.914 0.032 0.000 2.346 358 V HA -0.081 3.187 4.120 -1.420 0.000 0.244 358 V C 2.305 178.441 176.094 0.068 0.000 1.037 358 V CA 1.671 64.001 62.300 0.050 0.000 1.029 358 V CB -0.501 31.339 31.823 0.028 0.000 0.663 358 V HN 0.619 nan 8.190 nan 0.000 0.454 359 N N 0.571 119.295 118.700 0.041 0.000 2.412 359 N HA 0.119 4.007 4.740 -1.420 0.000 0.184 359 N C 1.442 176.942 175.510 -0.017 0.000 1.101 359 N CA 1.094 54.188 53.050 0.073 0.000 0.881 359 N CB 0.381 38.915 38.487 0.079 0.000 0.969 359 N HN 0.466 nan 8.380 nan 0.000 0.459 360 G N -0.181 108.536 108.800 -0.140 0.000 2.184 360 G HA2 -0.269 2.839 3.960 -1.420 0.000 0.264 360 G HA3 -0.269 2.839 3.960 -1.420 0.000 0.264 360 G C -0.161 174.436 174.900 -0.505 0.000 0.975 360 G CA 0.661 45.460 45.100 -0.503 0.000 0.642 360 G HN 0.362 nan 8.290 nan 0.000 0.536 361 L N 0.418 121.509 121.223 -0.219 0.000 2.416 361 L HA 0.499 3.987 4.340 -1.420 0.000 0.262 361 L C -1.751 175.057 176.870 -0.104 0.000 1.093 361 L CA -2.342 52.412 54.840 -0.143 0.000 0.801 361 L CB 0.546 42.563 42.059 -0.070 0.000 1.191 361 L HN -0.149 nan 8.230 nan 0.000 0.459 362 P HA 0.000 nan 4.420 nan 0.000 0.269 362 P C 0.831 178.110 177.300 -0.035 0.000 1.215 362 P CA -0.282 62.790 63.100 -0.046 0.000 0.780 362 P CB 0.671 32.331 31.700 -0.066 0.000 0.898 363 V N 1.449 121.383 119.914 0.034 0.000 2.392 363 V HA -0.239 3.029 4.120 -1.420 0.000 0.249 363 V C 1.263 177.326 176.094 -0.051 0.000 1.059 363 V CA 2.447 64.775 62.300 0.046 0.000 1.051 363 V CB -1.248 30.650 31.823 0.125 0.000 0.658 363 V HN 0.659 nan 8.190 nan 0.000 0.455 364 D N -0.402 119.941 120.400 -0.095 0.000 2.325 364 D HA 0.014 3.802 4.640 -1.420 0.000 0.225 364 D C 0.922 176.983 176.300 -0.397 0.000 1.096 364 D CA -0.075 53.802 54.000 -0.205 0.000 0.844 364 D CB -0.320 40.421 40.800 -0.098 0.000 0.925 364 D HN 0.389 nan 8.370 nan 0.000 0.513 365 R N 0.942 121.237 120.500 -0.341 0.000 2.255 365 R HA 0.202 3.690 4.340 -1.420 0.000 0.326 365 R C -0.572 175.543 176.300 -0.309 0.000 0.986 365 R CA -0.518 55.393 56.100 -0.314 0.000 0.847 365 R CB 0.464 30.653 30.300 -0.185 0.000 1.111 365 R HN 0.058 nan 8.270 nan 0.000 0.452 366 H N 2.322 121.411 119.070 0.032 0.000 2.508 366 H HA 0.393 4.096 4.556 -1.420 0.000 0.344 366 H C 1.082 176.444 175.328 0.058 0.000 1.192 366 H CA 0.308 56.380 56.048 0.041 0.000 1.290 366 H CB 1.694 31.474 29.762 0.030 0.000 1.571 366 H HN 0.910 nan 8.280 nan 0.000 0.555 367 G N 0.349 109.270 108.800 0.201 0.000 2.556 367 G HA2 -0.236 2.872 3.960 -1.420 0.000 0.283 367 G HA3 -0.236 2.872 3.960 -1.420 0.000 0.283 367 G C 0.800 175.785 174.900 0.141 0.000 1.177 367 G CA 0.768 45.965 45.100 0.161 0.000 0.978 367 G HN 1.613 nan 8.290 nan 0.000 0.554 368 G N -1.848 107.035 108.800 0.137 0.000 2.221 368 G HA2 -0.001 3.107 3.960 -1.420 0.000 0.265 368 G HA3 -0.001 3.107 3.960 -1.420 0.000 0.265 368 G C 1.296 176.299 174.900 0.172 0.000 1.041 368 G CA 1.438 46.613 45.100 0.125 0.000 0.807 368 G HN 1.841 nan 8.290 nan 0.000 0.502 369 S N -1.152 114.670 115.700 0.203 0.000 2.383 369 S HA -0.136 3.482 4.470 -1.420 0.000 0.229 369 S C 2.550 177.332 174.600 0.303 0.000 1.030 369 S CA 1.483 59.856 58.200 0.287 0.000 1.002 369 S CB -0.055 63.304 63.200 0.265 0.000 0.829 369 S HN 0.546 nan 8.310 nan 0.000 0.467 370 V N 1.890 121.927 119.914 0.205 0.000 2.307 370 V HA -0.164 3.104 4.120 -1.420 0.000 0.245 370 V C 2.664 178.875 176.094 0.194 0.000 1.045 370 V CA 1.672 64.074 62.300 0.170 0.000 1.024 370 V CB -1.214 30.674 31.823 0.107 0.000 0.651 370 V HN 0.544 nan 8.190 nan 0.000 0.449 371 A N -0.034 122.877 122.820 0.152 0.000 1.933 371 A HA -0.086 3.382 4.320 -1.420 0.000 0.218 371 A C 2.410 180.090 177.584 0.160 0.000 1.175 371 A CA 2.018 54.124 52.037 0.115 0.000 0.628 371 A CB -0.732 18.308 19.000 0.065 0.000 0.814 371 A HN 0.559 nan 8.150 nan 0.000 0.444 372 A N -1.189 121.759 122.820 0.213 0.000 1.902 372 A HA -0.053 3.415 4.320 -1.420 0.000 0.217 372 A C 2.064 179.810 177.584 0.271 0.000 1.181 372 A CA 1.507 53.698 52.037 0.258 0.000 0.623 372 A CB -0.752 18.448 19.000 0.333 0.000 0.818 372 A HN 0.633 nan 8.150 nan 0.000 0.443 373 F N 1.032 121.025 119.950 0.071 0.000 2.095 373 F HA -0.112 3.559 4.527 -1.428 0.000 0.298 373 F C 2.373 178.167 175.800 -0.010 0.000 1.104 373 F CA 1.735 59.574 58.000 -0.268 0.000 1.232 373 F CB -0.525 38.306 39.000 -0.282 0.000 0.987 373 F HN 0.241 nan 8.300 nan 0.000 0.475 374 G N -0.982 108.049 108.800 0.386 0.000 2.446 374 G HA2 -0.327 2.781 3.960 -1.420 0.000 0.217 374 G HA3 -0.327 2.781 3.960 -1.420 0.000 0.217 374 G C 1.749 176.644 174.900 -0.008 0.000 1.168 374 G CA 1.065 46.311 45.100 0.244 0.000 0.771 374 G HN 0.498 nan 8.290 nan 0.000 0.551 375 H N 0.667 119.693 119.070 -0.073 0.000 2.352 375 H HA 0.023 3.727 4.556 -1.420 0.000 0.299 375 H C 2.583 177.901 175.328 -0.017 0.000 1.097 375 H CA 1.515 57.519 56.048 -0.073 0.000 1.311 375 H CB -0.056 29.692 29.762 -0.024 0.000 1.377 375 H HN 0.303 nan 8.280 nan 0.000 0.504 376 L N -1.002 120.308 121.223 0.145 0.000 2.131 376 L HA -0.151 3.337 4.340 -1.420 0.000 0.206 376 L C 2.480 179.342 176.870 -0.012 0.000 1.087 376 L CA 0.769 55.657 54.840 0.080 0.000 0.767 376 L CB -0.595 41.510 42.059 0.077 0.000 0.917 376 L HN 0.184 nan 8.230 nan 0.000 0.441 377 Y N -0.009 120.181 120.300 -0.185 0.000 2.220 377 Y HA -0.188 3.507 4.550 -1.426 0.000 0.291 377 Y C 2.401 178.308 175.900 0.010 0.000 1.129 377 Y CA 1.155 59.143 58.100 -0.187 0.000 1.161 377 Y CB -0.154 38.092 38.460 -0.357 0.000 0.997 377 Y HN -0.076 nan 8.280 nan 0.000 0.522 378 F N 1.051 120.952 119.950 -0.082 0.000 2.063 378 F HA -0.257 3.419 4.527 -1.419 0.000 0.298 378 F C -0.226 175.274 175.800 -0.499 0.000 1.109 378 F CA 1.848 59.676 58.000 -0.285 0.000 1.212 378 F CB -2.287 36.614 39.000 -0.164 0.000 0.973 378 F HN 0.125 nan 8.300 nan 0.000 0.480 379 P HA -0.180 nan 4.420 nan 0.000 0.216 379 P C 1.444 178.632 177.300 -0.188 0.000 1.150 379 P CA 1.878 64.788 63.100 -0.317 0.000 0.837 379 P CB -0.161 31.005 31.700 -0.891 0.000 0.786 380 R N -0.882 119.511 120.500 -0.179 0.000 2.073 380 R HA 0.032 3.520 4.340 -1.420 0.000 0.229 380 R C 2.731 178.888 176.300 -0.238 0.000 1.120 380 R CA 1.213 57.234 56.100 -0.131 0.000 0.967 380 R CB -0.820 29.360 30.300 -0.200 0.000 0.862 380 R HN 0.189 nan 8.270 nan 0.000 0.436 381 M N 0.078 119.426 119.600 -0.419 0.000 2.117 381 M HA -0.205 3.423 4.480 -1.420 0.000 0.262 381 M C 1.542 177.790 176.300 -0.086 0.000 1.065 381 M CA 1.916 57.037 55.300 -0.298 0.000 1.114 381 M CB -0.134 32.291 32.600 -0.291 0.000 1.361 381 M HN 0.281 nan 8.290 nan 0.000 0.408 382 H N -0.431 118.585 119.070 -0.091 0.000 2.353 382 H HA -0.058 3.647 4.556 -1.419 0.000 0.300 382 H C 2.096 177.382 175.328 -0.070 0.000 1.090 382 H CA 1.042 57.034 56.048 -0.093 0.000 1.327 382 H CB 0.012 29.721 29.762 -0.088 0.000 1.383 382 H HN 0.319 nan 8.280 nan 0.000 0.508 383 R N 0.723 121.267 120.500 0.074 0.000 2.120 383 R HA -0.024 3.464 4.340 -1.420 0.000 0.234 383 R C 2.184 178.487 176.300 0.006 0.000 1.123 383 R CA 0.952 57.079 56.100 0.045 0.000 0.975 383 R CB -0.591 29.753 30.300 0.072 0.000 0.866 383 R HN 0.325 nan 8.270 nan 0.000 0.446 384 A N -0.145 122.677 122.820 0.003 0.000 2.206 384 A HA 0.244 3.712 4.320 -1.420 0.000 0.211 384 A C 1.347 178.927 177.584 -0.007 0.000 1.158 384 A CA 1.007 53.053 52.037 0.016 0.000 0.761 384 A CB -0.090 18.937 19.000 0.045 0.000 0.801 384 A HN 0.432 nan 8.150 nan 0.000 0.473 385 G N -2.934 105.822 108.800 -0.073 0.000 2.144 385 G HA2 -0.226 2.882 3.960 -1.420 0.000 0.218 385 G HA3 -0.226 2.882 3.960 -1.420 0.000 0.218 385 G C -0.193 174.411 174.900 -0.495 0.000 0.988 385 G CA 0.236 45.169 45.100 -0.279 0.000 0.659 385 G HN 0.451 nan 8.290 nan 0.000 0.522 386 Y N -0.976 119.295 120.300 -0.047 0.000 2.570 386 Y HA 0.654 4.363 4.550 -1.402 0.000 0.345 386 Y C 0.506 176.411 175.900 0.008 0.000 1.014 386 Y CA -0.673 57.413 58.100 -0.024 0.000 1.063 386 Y CB 2.265 40.724 38.460 -0.002 0.000 1.272 386 Y HN 0.553 nan 8.280 nan 0.000 0.477 387 V N -0.440 119.531 119.914 0.095 0.000 2.769 387 V HA 0.952 4.220 4.120 -1.420 0.000 0.312 387 V C 0.022 176.024 176.094 -0.153 0.000 1.058 387 V CA -1.354 60.865 62.300 -0.136 0.000 0.952 387 V CB 1.174 32.687 31.823 -0.517 0.000 1.019 387 V HN 0.938 nan 8.190 nan 0.000 0.445 388 A N 4.878 127.513 122.820 -0.307 0.000 2.462 388 A HA 0.649 4.117 4.320 -1.420 0.000 0.243 388 A C -1.895 175.375 177.584 -0.523 0.000 1.076 388 A CA -1.030 50.719 52.037 -0.480 0.000 0.773 388 A CB -0.448 18.210 19.000 -0.571 0.000 1.010 388 A HN 0.868 nan 8.150 nan 0.000 0.493 389 P HA 0.166 nan 4.420 nan 0.000 0.274 389 P C -0.639 176.576 177.300 -0.142 0.000 1.256 389 P CA -0.525 62.335 63.100 -0.400 0.000 0.795 389 P CB 0.679 32.040 31.700 -0.566 0.000 1.038 390 N N -0.393 118.356 118.700 0.082 0.000 2.478 390 N HA 0.350 4.238 4.740 -1.420 0.000 0.275 390 N C 0.112 175.612 175.510 -0.018 0.000 1.221 390 N CA -0.725 52.355 53.050 0.049 0.000 0.979 390 N CB 0.237 38.774 38.487 0.084 0.000 1.202 390 N HN 0.326 nan 8.380 nan 0.000 0.564 391 L N 0.013 121.222 121.223 -0.024 0.000 2.467 391 L HA 0.191 3.679 4.340 -1.420 0.000 0.270 391 L C 1.541 178.409 176.870 -0.004 0.000 1.205 391 L CA 0.155 54.976 54.840 -0.033 0.000 0.828 391 L CB 0.112 42.145 42.059 -0.043 0.000 1.101 391 L HN 0.864 nan 8.230 nan 0.000 0.479 392 G N 1.015 109.814 108.800 -0.001 0.000 2.159 392 G HA2 -0.259 2.849 3.960 -1.420 0.000 0.256 392 G HA3 -0.259 2.849 3.960 -1.420 0.000 0.256 392 G C 0.675 175.615 174.900 0.067 0.000 0.977 392 G CA 0.438 45.549 45.100 0.018 0.000 0.652 392 G HN 0.791 nan 8.290 nan 0.000 0.531 393 E N -0.982 119.278 120.200 0.099 0.000 2.385 393 E HA 0.246 3.744 4.350 -1.420 0.000 0.194 393 E C 0.486 177.186 176.600 0.167 0.000 1.013 393 E CA 0.650 57.138 56.400 0.147 0.000 0.866 393 E CB 0.511 30.320 29.700 0.182 0.000 0.832 393 E HN 0.376 nan 8.360 nan 0.000 0.500 394 V N 2.741 122.772 119.914 0.194 0.000 2.487 394 V HA 0.239 3.507 4.120 -1.420 0.000 0.298 394 V C -2.424 173.841 176.094 0.285 0.000 1.028 394 V CA -2.188 60.245 62.300 0.222 0.000 0.860 394 V CB 1.502 33.449 31.823 0.205 0.000 0.991 394 V HN -0.017 nan 8.190 nan 0.000 0.427 395 P HA 0.194 nan 4.420 nan 0.000 0.264 395 P C -2.498 174.986 177.300 0.307 0.000 1.193 395 P CA -0.871 62.347 63.100 0.196 0.000 0.763 395 P CB -0.214 31.575 31.700 0.147 0.000 0.810 396 P HA 0.043 nan 4.420 nan 0.000 0.268 396 P C -0.624 176.865 177.300 0.314 0.000 1.205 396 P CA 0.729 63.986 63.100 0.262 0.000 0.771 396 P CB 0.543 32.259 31.700 0.028 0.000 0.858 397 H N 0.974 120.203 119.070 0.265 0.000 3.087 397 H HA 0.473 4.187 4.556 -1.403 0.000 0.348 397 H C -1.430 174.004 175.328 0.178 0.000 1.092 397 H CA -0.590 55.557 56.048 0.165 0.000 1.285 397 H CB 1.862 31.700 29.762 0.127 0.000 1.875 397 H HN 0.486 nan 8.280 nan 0.000 0.512 398 A N 3.157 126.052 122.820 0.125 0.000 2.386 398 A HA 0.542 4.010 4.320 -1.420 0.000 0.248 398 A C -0.235 177.537 177.584 0.313 0.000 1.082 398 A CA -0.134 52.015 52.037 0.186 0.000 0.789 398 A CB 0.399 19.431 19.000 0.054 0.000 1.025 398 A HN 0.579 nan 8.150 nan 0.000 0.490 399 S N 1.806 117.646 115.700 0.233 0.000 2.513 399 S HA 0.670 4.288 4.470 -1.420 0.000 0.299 399 S C -2.399 172.297 174.600 0.160 0.000 1.087 399 S CA -0.806 57.509 58.200 0.193 0.000 1.012 399 S CB 1.383 64.677 63.200 0.157 0.000 1.044 399 S HN 0.770 nan 8.310 nan 0.000 0.485 400 P HA 0.324 nan 4.420 nan 0.000 0.272 400 P C 0.272 177.685 177.300 0.188 0.000 1.230 400 P CA -0.272 62.925 63.100 0.161 0.000 0.788 400 P CB 0.388 32.203 31.700 0.192 0.000 0.949 401 G N -0.115 108.825 108.800 0.233 0.000 2.849 401 G HA2 0.552 3.660 3.960 -1.420 0.000 0.174 401 G HA3 0.552 3.660 3.960 -1.420 0.000 0.174 401 G C 0.008 175.124 174.900 0.359 0.000 1.370 401 G CA -0.413 44.849 45.100 0.271 0.000 1.040 401 G HN 0.670 nan 8.290 nan 0.000 0.582 402 G N -1.745 107.240 108.800 0.308 0.000 2.539 402 G HA2 0.408 3.517 3.960 -1.420 0.000 0.258 402 G HA3 0.408 3.517 3.960 -1.420 0.000 0.258 402 G C -1.227 173.823 174.900 0.249 0.000 1.202 402 G CA -0.266 45.027 45.100 0.321 0.000 0.851 402 G HN 0.511 nan 8.290 nan 0.000 0.556 403 Y N 1.517 121.867 120.300 0.084 0.000 2.341 403 Y HA 0.505 4.204 4.550 -1.419 0.000 0.340 403 Y C -0.503 175.376 175.900 -0.035 0.000 0.997 403 Y CA -1.080 56.962 58.100 -0.095 0.000 1.149 403 Y CB 1.297 39.650 38.460 -0.178 0.000 1.171 403 Y HN 0.258 nan 8.280 nan 0.000 0.494 404 V N 8.530 128.150 119.914 -0.491 0.000 2.357 404 V HA 0.278 3.546 4.120 -1.420 0.000 0.284 404 V C 0.169 175.837 176.094 -0.710 0.000 1.018 404 V CA -0.842 61.163 62.300 -0.492 0.000 0.841 404 V CB 0.963 32.698 31.823 -0.147 0.000 0.991 404 V HN 0.873 nan 8.190 nan 0.000 0.437 405 M N 3.370 122.504 119.600 -0.776 0.000 2.248 405 M HA 0.194 3.822 4.480 -1.420 0.000 0.337 405 M C 0.109 176.370 176.300 -0.065 0.000 1.121 405 M CA 0.020 55.038 55.300 -0.470 0.000 1.155 405 M CB 0.184 32.611 32.600 -0.288 0.000 1.514 405 M HN 0.536 nan 8.290 nan 0.000 0.452 406 D N 1.716 122.127 120.400 0.017 0.000 2.414 406 D HA 0.139 3.927 4.640 -1.420 0.000 0.242 406 D C -0.065 176.302 176.300 0.112 0.000 1.129 406 D CA 0.240 54.285 54.000 0.075 0.000 0.885 406 D CB 0.788 41.634 40.800 0.077 0.000 1.198 406 D HN 0.601 nan 8.370 nan 0.000 0.437 407 S N 1.629 117.383 115.700 0.089 0.000 2.651 407 S HA 0.433 4.051 4.470 -1.420 0.000 0.291 407 S C 0.036 174.664 174.600 0.047 0.000 1.141 407 S CA -1.054 57.181 58.200 0.059 0.000 1.027 407 S CB 2.165 65.281 63.200 -0.140 0.000 1.043 407 S HN 0.444 nan 8.310 nan 0.000 0.530 408 R N 2.070 122.608 120.500 0.064 0.000 2.233 408 R HA 0.374 3.863 4.340 -1.420 0.000 0.334 408 R C -2.565 173.801 176.300 0.111 0.000 1.037 408 R CA -2.079 54.083 56.100 0.103 0.000 0.920 408 R CB 0.524 30.918 30.300 0.156 0.000 1.137 408 R HN 0.518 nan 8.270 nan 0.000 0.492 409 P HA 0.255 nan 4.420 nan 0.000 0.269 409 P C -0.312 176.959 177.300 -0.048 0.000 1.215 409 P CA 0.201 63.335 63.100 0.057 0.000 0.780 409 P CB 1.360 33.166 31.700 0.176 0.000 0.898 410 G N 0.450 108.976 108.800 -0.456 0.000 2.352 410 G HA2 0.317 3.425 3.960 -1.420 0.000 0.302 410 G HA3 0.317 3.425 3.960 -1.420 0.000 0.302 410 G C -2.453 171.791 174.900 -1.094 0.000 1.370 410 G CA -0.726 43.844 45.100 -0.883 0.000 0.918 410 G HN 0.614 nan 8.290 nan 0.000 0.610 411 L N 0.816 121.465 121.223 -0.957 0.000 2.298 411 L HA 0.847 4.335 4.340 -1.420 0.000 0.284 411 L C -1.178 175.382 176.870 -0.516 0.000 1.013 411 L CA -1.262 53.238 54.840 -0.568 0.000 0.824 411 L CB 0.369 42.203 42.059 -0.374 0.000 1.221 411 L HN 0.565 nan 8.230 nan 0.000 0.418 412 Y N 2.748 122.935 120.300 -0.188 0.000 2.621 412 Y HA 0.505 4.204 4.550 -1.419 0.000 0.334 412 Y C 0.537 176.445 175.900 0.013 0.000 1.074 412 Y CA -0.747 57.270 58.100 -0.138 0.000 1.149 412 Y CB 1.255 39.571 38.460 -0.240 0.000 1.302 412 Y HN 0.536 nan 8.280 nan 0.000 0.501 413 D N -0.426 120.157 120.400 0.305 0.000 2.626 413 D HA 0.091 3.879 4.640 -1.420 0.000 0.260 413 D C -0.304 176.161 176.300 0.275 0.000 1.281 413 D CA 0.346 54.496 54.000 0.250 0.000 1.098 413 D CB -0.434 40.526 40.800 0.267 0.000 0.923 413 D HN 0.344 nan 8.370 nan 0.000 0.233 414 S N 0.224 116.137 115.700 0.354 0.000 2.488 414 S HA 0.360 3.978 4.470 -1.420 0.000 0.278 414 S C -0.127 174.647 174.600 0.290 0.000 1.259 414 S CA -0.341 58.080 58.200 0.369 0.000 1.061 414 S CB 0.702 64.147 63.200 0.409 0.000 0.910 414 S HN 0.065 nan 8.310 nan 0.000 0.491 415 V N 5.458 125.477 119.914 0.174 0.000 2.623 415 V HA 0.411 3.679 4.120 -1.420 0.000 0.304 415 V C -0.397 175.675 176.094 -0.036 0.000 1.054 415 V CA -0.713 61.573 62.300 -0.023 0.000 0.882 415 V CB 1.687 33.278 31.823 -0.387 0.000 1.002 415 V HN 0.722 nan 8.190 nan 0.000 0.424 416 L N 4.467 125.625 121.223 -0.109 0.000 2.334 416 L HA 0.715 4.203 4.340 -1.420 0.000 0.275 416 L C -0.630 176.042 176.870 -0.330 0.000 1.036 416 L CA -0.952 53.808 54.840 -0.133 0.000 0.807 416 L CB 1.921 43.922 42.059 -0.097 0.000 1.231 416 L HN 0.324 nan 8.230 nan 0.000 0.438 417 V N 4.004 123.665 119.914 -0.421 0.000 2.409 417 V HA 0.428 3.696 4.120 -1.420 0.000 0.291 417 V C -0.045 175.818 176.094 -0.385 0.000 1.020 417 V CA -0.406 61.511 62.300 -0.638 0.000 0.848 417 V CB 1.685 33.024 31.823 -0.806 0.000 0.990 417 V HN 0.483 nan 8.190 nan 0.000 0.430 418 L N 4.399 125.435 121.223 -0.312 0.000 2.329 418 L HA 0.731 4.219 4.340 -1.420 0.000 0.279 418 L C -0.614 176.118 176.870 -0.230 0.000 1.014 418 L CA -0.328 54.385 54.840 -0.212 0.000 0.814 418 L CB 1.883 43.843 42.059 -0.166 0.000 1.257 418 L HN 0.563 nan 8.230 nan 0.000 0.424 419 D N 1.566 121.833 120.400 -0.223 0.000 2.964 419 D HA 0.234 4.022 4.640 -1.420 0.000 0.234 419 D C -1.212 174.993 176.300 -0.157 0.000 1.223 419 D CA -0.437 53.469 54.000 -0.156 0.000 0.889 419 D CB 1.766 42.485 40.800 -0.135 0.000 1.609 419 D HN 0.213 nan 8.370 nan 0.000 0.523 420 Y N 1.704 121.991 120.300 -0.023 0.000 2.497 420 Y HA 0.061 3.762 4.550 -1.414 0.000 0.334 420 Y C 1.317 177.192 175.900 -0.041 0.000 1.199 420 Y CA 0.321 58.418 58.100 -0.004 0.000 1.425 420 Y CB 0.729 39.196 38.460 0.010 0.000 1.291 420 Y HN 0.123 nan 8.280 nan 0.000 0.562 421 K N 2.088 122.571 120.400 0.138 0.000 2.349 421 K HA 0.084 3.552 4.320 -1.420 0.000 0.288 421 K C 0.013 176.566 176.600 -0.079 0.000 1.058 421 K CA 0.150 56.426 56.287 -0.018 0.000 0.953 421 K CB 0.234 32.736 32.500 0.003 0.000 0.997 421 K HN 0.849 nan 8.250 nan 0.000 0.477 422 S N 3.298 118.868 115.700 -0.216 0.000 3.405 422 S HA -0.174 3.444 4.470 -1.420 0.000 0.373 422 S C 0.865 175.464 174.600 -0.002 0.000 0.939 422 S CA 0.374 58.438 58.200 -0.225 0.000 1.295 422 S CB -1.122 61.721 63.200 -0.596 0.000 0.919 422 S HN 0.742 nan 8.310 nan 0.000 0.535 423 L N 1.864 123.097 121.223 0.017 0.000 1.971 423 L HA -0.147 3.341 4.340 -1.420 0.000 0.215 423 L C 1.993 178.968 176.870 0.176 0.000 1.072 423 L CA 2.127 57.007 54.840 0.068 0.000 0.758 423 L CB -0.554 41.512 42.059 0.011 0.000 0.889 423 L HN 0.605 nan 8.230 nan 0.000 0.433 424 Y N -0.247 120.006 120.300 -0.078 0.000 2.224 424 Y HA -0.088 3.618 4.550 -1.406 0.000 0.289 424 Y C -0.109 175.798 175.900 0.011 0.000 1.146 424 Y CA 0.716 58.752 58.100 -0.108 0.000 1.182 424 Y CB -2.488 35.841 38.460 -0.219 0.000 0.983 424 Y HN 0.327 nan 8.280 nan 0.000 0.524 425 P HA -0.127 nan 4.420 nan 0.000 0.217 425 P C 1.973 179.451 177.300 0.296 0.000 1.150 425 P CA 2.471 65.736 63.100 0.274 0.000 0.832 425 P CB -0.121 31.748 31.700 0.282 0.000 0.787 426 S N -1.112 114.803 115.700 0.358 0.000 2.402 426 S HA -0.117 3.501 4.470 -1.420 0.000 0.229 426 S C 1.952 176.596 174.600 0.073 0.000 1.021 426 S CA 0.978 59.331 58.200 0.255 0.000 0.974 426 S CB -1.533 61.856 63.200 0.315 0.000 0.800 426 S HN 0.045 nan 8.310 nan 0.000 0.484 427 I N 1.101 121.725 120.570 0.090 0.000 2.286 427 I HA -0.072 3.246 4.170 -1.420 0.000 0.245 427 I C 2.370 178.542 176.117 0.091 0.000 1.104 427 I CA 1.122 62.496 61.300 0.123 0.000 1.397 427 I CB -0.312 37.672 38.000 -0.026 0.000 1.072 427 I HN 0.289 nan 8.210 nan 0.000 0.417 428 I N 0.460 121.048 120.570 0.030 0.000 2.226 428 I HA -0.294 3.024 4.170 -1.420 0.000 0.245 428 I C 2.705 178.776 176.117 -0.076 0.000 1.100 428 I CA 1.429 62.716 61.300 -0.023 0.000 1.374 428 I CB -0.351 37.681 38.000 0.055 0.000 1.057 428 I HN 0.167 nan 8.210 nan 0.000 0.413 429 R N -0.074 120.386 120.500 -0.066 0.000 2.066 429 R HA -0.106 3.382 4.340 -1.420 0.000 0.232 429 R C 2.333 178.494 176.300 -0.232 0.000 1.131 429 R CA 1.961 57.968 56.100 -0.156 0.000 0.955 429 R CB -0.596 29.584 30.300 -0.201 0.000 0.851 429 R HN 0.329 nan 8.270 nan 0.000 0.432 430 T N 0.430 114.829 114.554 -0.259 0.000 2.770 430 T HA -0.059 3.439 4.350 -1.420 0.000 0.263 430 T C 1.128 175.455 174.700 -0.621 0.000 1.039 430 T CA 1.227 63.037 62.100 -0.483 0.000 1.142 430 T CB -0.126 68.331 68.868 -0.685 0.000 0.868 430 T HN 0.109 nan 8.240 nan 0.000 0.435 431 F N 0.910 120.740 119.950 -0.199 0.000 2.693 431 F HA 0.454 4.121 4.527 -1.433 0.000 0.303 431 F C 0.594 176.213 175.800 -0.300 0.000 1.097 431 F CA -0.381 57.493 58.000 -0.211 0.000 1.330 431 F CB -0.637 38.239 39.000 -0.207 0.000 1.067 431 F HN -0.067 nan 8.300 nan 0.000 0.565 432 L N 0.317 121.403 121.223 -0.229 0.000 3.717 432 L HA -0.245 3.243 4.340 -1.420 0.000 0.414 432 L C -0.510 176.082 176.870 -0.464 0.000 1.228 432 L CA -0.261 54.375 54.840 -0.341 0.000 0.918 432 L CB -2.075 39.809 42.059 -0.292 0.000 1.865 432 L HN -0.002 nan 8.230 nan 0.000 0.922 433 I N 1.026 121.252 120.570 -0.573 0.000 2.598 433 I HA 0.250 3.568 4.170 -1.420 0.000 0.284 433 I C 0.475 176.421 176.117 -0.285 0.000 1.140 433 I CA 0.771 61.565 61.300 -0.843 0.000 1.420 433 I CB 0.571 38.274 38.000 -0.494 0.000 1.387 433 I HN 0.229 nan 8.210 nan 0.000 0.553 434 D N 7.036 127.406 120.400 -0.051 0.000 2.745 434 D HA 0.344 4.132 4.640 -1.420 0.000 0.221 434 D C -2.389 174.068 176.300 0.261 0.000 1.237 434 D CA -0.993 53.106 54.000 0.165 0.000 0.781 434 D CB 2.427 43.350 40.800 0.204 0.000 1.575 434 D HN 0.045 nan 8.370 nan 0.000 0.482 435 P HA -0.099 nan 4.420 nan 0.000 0.214 435 P C 1.422 178.785 177.300 0.105 0.000 1.162 435 P CA 0.584 63.816 63.100 0.220 0.000 0.879 435 P CB 0.279 32.065 31.700 0.142 0.000 0.786 436 V N -0.037 119.933 119.914 0.093 0.000 2.343 436 V HA -0.166 3.102 4.120 -1.420 0.000 0.247 436 V C 2.561 178.536 176.094 -0.198 0.000 1.051 436 V CA 2.511 64.635 62.300 -0.293 0.000 1.036 436 V CB -1.871 29.877 31.823 -0.125 0.000 0.654 436 V HN 0.189 nan 8.190 nan 0.000 0.451 437 G N -0.224 108.619 108.800 0.071 0.000 2.442 437 G HA2 -0.261 2.847 3.960 -1.420 0.000 0.219 437 G HA3 -0.261 2.847 3.960 -1.420 0.000 0.219 437 G C 1.569 176.539 174.900 0.117 0.000 1.141 437 G CA 1.129 46.333 45.100 0.173 0.000 0.763 437 G HN 0.454 nan 8.290 nan 0.000 0.554 438 L N 0.792 122.072 121.223 0.095 0.000 2.056 438 L HA 0.036 3.524 4.340 -1.420 0.000 0.207 438 L C 2.871 179.618 176.870 -0.206 0.000 1.078 438 L CA 1.348 56.097 54.840 -0.150 0.000 0.749 438 L CB -0.511 41.504 42.059 -0.075 0.000 0.901 438 L HN 0.076 nan 8.230 nan 0.000 0.433 439 V N -0.150 119.589 119.914 -0.291 0.000 2.295 439 V HA -0.224 3.044 4.120 -1.420 0.000 0.246 439 V C 2.631 178.576 176.094 -0.247 0.000 1.049 439 V CA 1.868 63.941 62.300 -0.380 0.000 1.024 439 V CB -0.663 30.669 31.823 -0.819 0.000 0.648 439 V HN 0.456 nan 8.190 nan 0.000 0.447 440 E N 0.417 120.491 120.200 -0.210 0.000 2.150 440 E HA -0.120 3.378 4.350 -1.420 0.000 0.193 440 E C 2.301 178.867 176.600 -0.057 0.000 0.985 440 E CA 1.311 57.659 56.400 -0.086 0.000 0.814 440 E CB -0.488 29.195 29.700 -0.028 0.000 0.752 440 E HN 0.634 nan 8.360 nan 0.000 0.466 441 G N 1.065 109.837 108.800 -0.046 0.000 2.404 441 G HA2 -0.212 2.896 3.960 -1.420 0.000 0.215 441 G HA3 -0.212 2.896 3.960 -1.420 0.000 0.215 441 G C 1.514 176.389 174.900 -0.042 0.000 1.174 441 G CA 0.518 45.618 45.100 0.001 0.000 0.780 441 G HN 0.107 nan 8.290 nan 0.000 0.537 442 M N 1.318 120.869 119.600 -0.082 0.000 2.279 442 M HA 0.121 3.749 4.480 -1.420 0.000 0.264 442 M C 2.839 179.072 176.300 -0.111 0.000 1.062 442 M CA 0.793 56.043 55.300 -0.083 0.000 1.099 442 M CB -1.138 31.413 32.600 -0.082 0.000 1.394 442 M HN 0.316 nan 8.290 nan 0.000 0.426 443 A N -0.450 122.307 122.820 -0.106 0.000 2.014 443 A HA -0.071 3.397 4.320 -1.420 0.000 0.218 443 A C 1.188 178.685 177.584 -0.144 0.000 1.163 443 A CA 0.958 52.933 52.037 -0.104 0.000 0.652 443 A CB -0.112 18.839 19.000 -0.081 0.000 0.808 443 A HN 0.605 nan 8.150 nan 0.000 0.449 444 Q N -0.267 119.433 119.800 -0.166 0.000 3.300 444 Q HA 0.180 3.668 4.340 -1.420 0.000 0.271 444 Q C -2.695 173.141 176.000 -0.274 0.000 0.926 444 Q CA -1.674 54.008 55.803 -0.201 0.000 0.788 444 Q CB 1.710 30.302 28.738 -0.242 0.000 1.385 444 Q HN 0.305 nan 8.270 nan 0.000 0.424 445 P HA -0.015 nan 4.420 nan 0.000 0.226 445 P C -1.295 175.080 177.300 -1.542 0.000 1.783 445 P CA 0.298 62.678 63.100 -1.201 0.000 0.980 445 P CB -0.379 30.664 31.700 -1.095 0.000 1.967 446 D N -0.197 119.628 120.400 -0.960 0.000 2.645 446 D HA 0.328 4.116 4.640 -1.420 0.000 0.228 446 D C -2.134 174.014 176.300 -0.254 0.000 1.148 446 D CA -2.395 51.221 54.000 -0.641 0.000 0.860 446 D CB 1.026 41.666 40.800 -0.266 0.000 1.548 446 D HN -0.208 nan 8.370 nan 0.000 0.460 447 P HA -0.211 nan 4.420 nan 0.000 0.221 447 P C 0.937 178.257 177.300 0.034 0.000 1.145 447 P CA 1.114 64.319 63.100 0.174 0.000 0.795 447 P CB 0.384 32.182 31.700 0.165 0.000 0.775 448 E N -0.603 119.533 120.200 -0.107 0.000 2.046 448 E HA -0.192 3.306 4.350 -1.420 0.000 0.190 448 E C 1.788 178.208 176.600 -0.300 0.000 0.982 448 E CA 0.931 57.175 56.400 -0.259 0.000 0.800 448 E CB -0.172 29.255 29.700 -0.456 0.000 0.756 448 E HN 0.350 nan 8.360 nan 0.000 0.449 449 H N -1.054 118.015 119.070 -0.001 0.000 2.582 449 H HA 0.301 4.001 4.556 -1.428 0.000 0.269 449 H C 0.341 175.710 175.328 0.069 0.000 0.962 449 H CA 0.361 56.416 56.048 0.013 0.000 1.230 449 H CB 0.911 30.655 29.762 -0.030 0.000 1.445 449 H HN -0.031 nan 8.280 nan 0.000 0.528 450 S N -0.620 115.209 115.700 0.215 0.000 2.685 450 S HA 0.384 4.002 4.470 -1.420 0.000 0.282 450 S C -0.361 174.487 174.600 0.415 0.000 1.159 450 S CA -0.700 57.690 58.200 0.317 0.000 0.833 450 S CB 3.117 66.538 63.200 0.369 0.000 1.151 450 S HN 0.145 nan 8.310 nan 0.000 0.485 451 T N 0.778 115.575 114.554 0.406 0.000 2.861 451 T HA 0.427 3.925 4.350 -1.420 0.000 0.287 451 T C -1.026 173.735 174.700 0.101 0.000 1.003 451 T CA -0.543 61.717 62.100 0.266 0.000 0.977 451 T CB 1.221 70.199 68.868 0.183 0.000 0.996 451 T HN 0.597 nan 8.240 nan 0.000 0.448 452 E N 2.393 122.378 120.200 -0.360 0.000 2.373 452 E HA 0.520 4.018 4.350 -1.420 0.000 0.267 452 E C 0.443 176.791 176.600 -0.420 0.000 1.032 452 E CA -0.216 55.653 56.400 -0.885 0.000 0.889 452 E CB 0.598 29.544 29.700 -1.256 0.000 0.984 452 E HN 0.781 nan 8.360 nan 0.000 0.425 453 G N 2.867 111.435 108.800 -0.387 0.000 3.039 453 G HA2 0.429 3.537 3.960 -1.420 0.000 0.159 453 G HA3 0.429 3.537 3.960 -1.420 0.000 0.159 453 G C -1.081 173.552 174.900 -0.445 0.000 1.284 453 G CA -0.587 44.440 45.100 -0.121 0.000 0.996 453 G HN 0.469 nan 8.290 nan 0.000 0.592 454 F N -1.075 118.805 119.950 -0.117 0.000 2.572 454 F HA 0.536 4.205 4.527 -1.430 0.000 0.342 454 F C 0.838 176.563 175.800 -0.125 0.000 1.064 454 F CA -0.551 57.366 58.000 -0.138 0.000 1.008 454 F CB 1.374 40.293 39.000 -0.136 0.000 1.303 454 F HN 0.174 nan 8.300 nan 0.000 0.492 455 L N 1.800 123.076 121.223 0.090 0.000 3.717 455 L HA -0.317 3.171 4.340 -1.420 0.000 0.414 455 L C -0.468 176.374 176.870 -0.047 0.000 1.228 455 L CA 0.527 55.368 54.840 0.001 0.000 0.918 455 L CB -1.586 40.444 42.059 -0.048 0.000 1.865 455 L HN 0.772 nan 8.230 nan 0.000 0.922 456 D N -2.455 117.899 120.400 -0.077 0.000 3.012 456 D HA -0.161 3.627 4.640 -1.420 0.000 0.222 456 D C 0.781 177.029 176.300 -0.088 0.000 1.167 456 D CA 1.405 55.365 54.000 -0.066 0.000 0.854 456 D CB -0.572 40.235 40.800 0.011 0.000 1.107 456 D HN 0.724 nan 8.370 nan 0.000 0.421 457 A N -0.648 122.046 122.820 -0.209 0.000 2.316 457 A HA 0.543 4.011 4.320 -1.420 0.000 0.284 457 A C -0.388 176.901 177.584 -0.492 0.000 1.115 457 A CA -0.115 51.736 52.037 -0.311 0.000 0.812 457 A CB 0.717 19.509 19.000 -0.348 0.000 1.064 457 A HN 0.192 nan 8.150 nan 0.000 0.489 458 W N 0.247 121.238 121.300 -0.516 0.000 2.915 458 W HA 0.642 4.415 4.660 -1.477 0.000 0.337 458 W C -1.369 174.787 176.519 -0.606 0.000 1.102 458 W CA -0.172 56.953 57.345 -0.368 0.000 1.224 458 W CB 1.791 31.143 29.460 -0.180 0.000 1.416 458 W HN 0.498 nan 8.180 nan 0.000 0.503 459 F N 1.783 121.860 119.950 0.211 0.000 2.507 459 F HA 0.387 4.922 4.527 0.013 0.000 0.325 459 F C 0.689 176.587 175.800 0.162 0.000 1.116 459 F CA -1.081 56.999 58.000 0.134 0.000 0.930 459 F CB 1.839 40.880 39.000 0.069 0.000 1.146 459 F HN 0.122 nan 8.300 nan 0.000 0.447 460 S N 2.640 118.515 115.700 0.291 0.000 2.552 460 S HA 0.106 3.724 4.470 -1.420 0.000 0.289 460 S C 1.399 176.179 174.600 0.300 0.000 1.304 460 S CA -0.242 58.103 58.200 0.242 0.000 1.063 460 S CB 0.564 63.863 63.200 0.166 0.000 0.848 460 S HN 0.758 nan 8.310 nan 0.000 0.499 461 R N 2.166 122.811 120.500 0.242 0.000 2.119 461 R HA 0.046 3.534 4.340 -1.420 0.000 0.222 461 R C 1.321 177.781 176.300 0.267 0.000 1.088 461 R CA 1.026 57.263 56.100 0.228 0.000 0.984 461 R CB 0.052 30.442 30.300 0.149 0.000 0.884 461 R HN 0.644 nan 8.270 nan 0.000 0.447 462 E N -0.015 120.275 120.200 0.150 0.000 2.413 462 E HA 0.040 3.538 4.350 -1.420 0.000 0.203 462 E C -0.002 176.470 176.600 -0.213 0.000 0.957 462 E CA 0.262 56.660 56.400 -0.005 0.000 0.950 462 E CB 0.630 30.335 29.700 0.007 0.000 0.957 462 E HN 0.025 nan 8.360 nan 0.000 0.497 463 K N 2.013 122.346 120.400 -0.112 0.000 2.464 463 K HA 0.154 3.622 4.320 -1.420 0.000 0.252 463 K C -1.011 175.536 176.600 -0.088 0.000 1.000 463 K CA -0.260 55.931 56.287 -0.159 0.000 0.951 463 K CB 0.332 32.814 32.500 -0.030 0.000 1.183 463 K HN 0.066 nan 8.250 nan 0.000 0.445 464 H N 0.635 119.714 119.070 0.016 0.000 3.014 464 H HA 0.298 4.000 4.556 -1.423 0.000 0.337 464 H C -0.613 174.703 175.328 -0.019 0.000 1.320 464 H CA -1.002 55.059 56.048 0.022 0.000 1.128 464 H CB 1.187 30.977 29.762 0.047 0.000 1.862 464 H HN 0.479 nan 8.280 nan 0.000 0.536 465 C N 0.114 119.498 119.300 0.139 0.000 2.878 465 C HA 0.068 3.676 4.460 -1.420 0.000 0.490 465 C C 2.414 177.446 174.990 0.070 0.000 1.339 465 C CA 0.045 59.048 59.018 -0.025 0.000 2.353 465 C CB -0.591 26.878 27.740 -0.453 0.000 3.174 465 C HN 0.711 nan 8.230 nan 0.000 0.569 466 L N 2.532 123.882 121.223 0.210 0.000 2.046 466 L HA 0.015 3.503 4.340 -1.420 0.000 0.208 466 L C -0.880 176.055 176.870 0.109 0.000 1.077 466 L CA 2.375 57.317 54.840 0.171 0.000 0.747 466 L CB -1.512 40.667 42.059 0.199 0.000 0.896 466 L HN 0.113 nan 8.230 nan 0.000 0.432 467 P HA -0.163 nan 4.420 nan 0.000 0.215 467 P C 1.288 178.601 177.300 0.021 0.000 1.153 467 P CA 1.409 64.506 63.100 -0.004 0.000 0.853 467 P CB 0.104 31.729 31.700 -0.126 0.000 0.788 468 E N -0.775 119.464 120.200 0.064 0.000 2.051 468 E HA -0.135 3.363 4.350 -1.420 0.000 0.192 468 E C 2.013 178.637 176.600 0.040 0.000 0.991 468 E CA 0.986 57.410 56.400 0.040 0.000 0.799 468 E CB -0.961 28.767 29.700 0.047 0.000 0.748 468 E HN 0.233 nan 8.360 nan 0.000 0.449 469 I N -0.053 120.557 120.570 0.067 0.000 2.179 469 I HA -0.260 3.058 4.170 -1.420 0.000 0.242 469 I C 2.115 178.321 176.117 0.148 0.000 1.088 469 I CA 0.776 62.140 61.300 0.107 0.000 1.357 469 I CB -0.219 37.840 38.000 0.099 0.000 1.051 469 I HN 0.008 nan 8.210 nan 0.000 0.409 470 V N 0.464 120.475 119.914 0.161 0.000 2.343 470 V HA -0.287 2.981 4.120 -1.420 0.000 0.247 470 V C 2.496 178.659 176.094 0.115 0.000 1.051 470 V CA 2.456 64.866 62.300 0.184 0.000 1.036 470 V CB -0.829 31.114 31.823 0.201 0.000 0.654 470 V HN 0.481 nan 8.190 nan 0.000 0.451 471 T N 0.275 114.819 114.554 -0.017 0.000 2.746 471 T HA -0.173 3.325 4.350 -1.420 0.000 0.267 471 T C 1.821 176.348 174.700 -0.287 0.000 1.039 471 T CA 1.613 63.575 62.100 -0.230 0.000 1.142 471 T CB -0.368 68.340 68.868 -0.266 0.000 0.866 471 T HN 0.440 nan 8.240 nan 0.000 0.444 472 N N 1.185 119.841 118.700 -0.074 0.000 2.084 472 N HA 0.028 3.916 4.740 -1.420 0.000 0.190 472 N C 1.867 177.430 175.510 0.089 0.000 1.030 472 N CA 0.964 54.031 53.050 0.027 0.000 0.849 472 N CB -0.436 38.099 38.487 0.080 0.000 1.012 472 N HN 0.394 nan 8.380 nan 0.000 0.423 473 I N -0.165 120.469 120.570 0.106 0.000 2.315 473 I HA -0.219 3.099 4.170 -1.420 0.000 0.248 473 I C 2.361 178.570 176.117 0.153 0.000 1.117 473 I CA 0.598 61.965 61.300 0.112 0.000 1.404 473 I CB -0.162 37.884 38.000 0.076 0.000 1.071 473 I HN 0.267 nan 8.210 nan 0.000 0.419 474 W N 2.265 123.523 121.300 -0.070 0.000 2.335 474 W HA -0.234 3.573 4.660 -1.422 0.000 0.311 474 W C 2.471 179.005 176.519 0.024 0.000 1.213 474 W CA 1.969 59.278 57.345 -0.061 0.000 1.274 474 W CB -0.881 28.497 29.460 -0.137 0.000 1.148 474 W HN 0.308 nan 8.180 nan 0.000 0.498 475 H N -1.366 117.940 119.070 0.393 0.000 2.421 475 H HA -0.103 3.603 4.556 -1.418 0.000 0.298 475 H C 2.478 177.902 175.328 0.160 0.000 1.087 475 H CA 1.054 57.253 56.048 0.251 0.000 1.330 475 H CB -0.591 29.260 29.762 0.148 0.000 1.388 475 H HN 0.214 nan 8.280 nan 0.000 0.526 476 G N 0.602 109.549 108.800 0.245 0.000 2.418 476 G HA2 -0.278 2.830 3.960 -1.420 0.000 0.217 476 G HA3 -0.278 2.830 3.960 -1.420 0.000 0.217 476 G C 1.652 176.612 174.900 0.101 0.000 1.158 476 G CA 0.474 45.661 45.100 0.146 0.000 0.771 476 G HN 0.295 nan 8.290 nan 0.000 0.545 477 R N 0.215 120.758 120.500 0.072 0.000 2.092 477 R HA -0.075 3.413 4.340 -1.420 0.000 0.231 477 R C 1.989 178.298 176.300 0.015 0.000 1.119 477 R CA 1.540 57.638 56.100 -0.004 0.000 0.970 477 R CB -0.206 30.020 30.300 -0.124 0.000 0.864 477 R HN 0.180 nan 8.270 nan 0.000 0.440 478 D N 0.246 120.696 120.400 0.083 0.000 2.117 478 D HA -0.188 3.600 4.640 -1.420 0.000 0.197 478 D C 1.729 178.077 176.300 0.080 0.000 0.987 478 D CA 1.293 55.355 54.000 0.103 0.000 0.829 478 D CB -0.123 40.805 40.800 0.213 0.000 0.961 478 D HN 0.272 nan 8.370 nan 0.000 0.460 479 E N 0.837 121.092 120.200 0.092 0.000 2.106 479 E HA -0.068 3.430 4.350 -1.420 0.000 0.192 479 E C 1.863 178.498 176.600 0.058 0.000 0.984 479 E CA 1.332 57.776 56.400 0.072 0.000 0.806 479 E CB -0.295 29.452 29.700 0.079 0.000 0.750 479 E HN 0.147 nan 8.360 nan 0.000 0.458 480 A N 0.802 123.655 122.820 0.056 0.000 1.902 480 A HA -0.210 3.258 4.320 -1.420 0.000 0.217 480 A C 2.073 179.679 177.584 0.036 0.000 1.181 480 A CA 1.847 53.916 52.037 0.053 0.000 0.623 480 A CB -0.434 18.598 19.000 0.054 0.000 0.818 480 A HN 0.222 nan 8.150 nan 0.000 0.443 481 K N -0.890 119.521 120.400 0.019 0.000 2.057 481 K HA -0.121 3.347 4.320 -1.420 0.000 0.206 481 K C 2.356 178.965 176.600 0.014 0.000 1.050 481 K CA 1.356 57.645 56.287 0.003 0.000 0.935 481 K CB -0.175 32.317 32.500 -0.014 0.000 0.715 481 K HN 0.461 nan 8.250 nan 0.000 0.439 482 R N 1.480 121.995 120.500 0.026 0.000 2.105 482 R HA -0.172 3.316 4.340 -1.420 0.000 0.239 482 R C 1.709 178.026 176.300 0.028 0.000 1.135 482 R CA 1.613 57.729 56.100 0.027 0.000 0.967 482 R CB 0.056 30.377 30.300 0.035 0.000 0.861 482 R HN 0.247 nan 8.270 nan 0.000 0.442 483 Q N -1.184 118.637 119.800 0.036 0.000 2.444 483 Q HA 0.109 3.597 4.340 -1.420 0.000 0.206 483 Q C 0.682 176.706 176.000 0.039 0.000 0.948 483 Q CA 0.518 56.345 55.803 0.040 0.000 0.946 483 Q CB 0.806 29.575 28.738 0.052 0.000 1.027 483 Q HN 0.642 nan 8.270 nan 0.000 0.513 484 G N 1.942 110.759 108.800 0.029 0.000 2.147 484 G HA2 -0.264 2.844 3.960 -1.420 0.000 0.244 484 G HA3 -0.264 2.844 3.960 -1.420 0.000 0.244 484 G C -0.091 174.829 174.900 0.032 0.000 1.005 484 G CA 0.159 45.272 45.100 0.022 0.000 0.713 484 G HN 0.306 nan 8.290 nan 0.000 0.515 485 N N 0.676 119.405 118.700 0.048 0.000 2.719 485 N HA 0.262 4.150 4.740 -1.420 0.000 0.243 485 N C 1.614 177.158 175.510 0.057 0.000 1.104 485 N CA -0.130 52.965 53.050 0.076 0.000 0.981 485 N CB 0.230 38.784 38.487 0.111 0.000 1.290 485 N HN 0.473 nan 8.380 nan 0.000 0.513 486 K N 2.046 122.454 120.400 0.013 0.000 2.026 486 K HA -0.092 3.376 4.320 -1.420 0.000 0.208 486 K C -0.904 175.691 176.600 -0.007 0.000 1.048 486 K CA 1.341 57.608 56.287 -0.033 0.000 0.929 486 K CB -0.534 31.908 32.500 -0.096 0.000 0.713 486 K HN 0.384 nan 8.250 nan 0.000 0.439 487 P HA -0.172 nan 4.420 nan 0.000 0.215 487 P C 1.400 178.939 177.300 0.398 0.000 1.157 487 P CA 0.890 64.057 63.100 0.111 0.000 0.868 487 P CB 0.070 31.746 31.700 -0.040 0.000 0.788 488 L N -0.586 120.884 121.223 0.411 0.000 2.083 488 L HA -0.103 3.385 4.340 -1.420 0.000 0.209 488 L C 2.425 179.415 176.870 0.199 0.000 1.083 488 L CA 1.987 57.059 54.840 0.386 0.000 0.752 488 L CB -1.586 40.625 42.059 0.253 0.000 0.899 488 L HN -0.080 nan 8.230 nan 0.000 0.433 489 S N -1.187 114.576 115.700 0.105 0.000 2.368 489 S HA -0.283 3.335 4.470 -1.420 0.000 0.225 489 S C 2.061 176.645 174.600 -0.027 0.000 1.030 489 S CA 1.579 59.786 58.200 0.013 0.000 0.999 489 S CB -0.335 62.846 63.200 -0.031 0.000 0.844 489 S HN 0.654 nan 8.310 nan 0.000 0.459 490 Q N 1.055 120.832 119.800 -0.039 0.000 2.124 490 Q HA 0.130 3.618 4.340 -1.420 0.000 0.202 490 Q C 2.052 178.003 176.000 -0.081 0.000 0.977 490 Q CA 1.879 57.555 55.803 -0.211 0.000 0.850 490 Q CB -0.850 27.604 28.738 -0.473 0.000 0.901 490 Q HN 0.606 nan 8.270 nan 0.000 0.429 491 A N 0.141 123.149 122.820 0.312 0.000 1.902 491 A HA -0.114 3.354 4.320 -1.420 0.000 0.217 491 A C 2.079 179.759 177.584 0.160 0.000 1.181 491 A CA 1.428 53.746 52.037 0.468 0.000 0.623 491 A CB -0.730 18.584 19.000 0.523 0.000 0.818 491 A HN 0.453 nan 8.150 nan 0.000 0.443 492 L N -0.498 120.763 121.223 0.064 0.000 2.093 492 L HA -0.174 3.314 4.340 -1.420 0.000 0.208 492 L C 2.616 179.442 176.870 -0.074 0.000 1.085 492 L CA 1.796 56.624 54.840 -0.019 0.000 0.755 492 L CB -0.483 41.564 42.059 -0.020 0.000 0.904 492 L HN 0.547 nan 8.230 nan 0.000 0.435 493 K N 0.799 121.144 120.400 -0.092 0.000 2.032 493 K HA -0.209 3.260 4.320 -1.420 0.000 0.209 493 K C 2.095 178.636 176.600 -0.098 0.000 1.048 493 K CA 1.467 57.671 56.287 -0.138 0.000 0.927 493 K CB 0.031 32.427 32.500 -0.175 0.000 0.712 493 K HN 0.114 nan 8.250 nan 0.000 0.441 494 I N 1.635 122.171 120.570 -0.056 0.000 2.252 494 I HA -0.217 3.101 4.170 -1.420 0.000 0.245 494 I C 2.396 178.509 176.117 -0.007 0.000 1.102 494 I CA 1.151 62.455 61.300 0.006 0.000 1.385 494 I CB -0.805 37.265 38.000 0.116 0.000 1.064 494 I HN 0.267 nan 8.210 nan 0.000 0.414 495 I N 0.198 120.730 120.570 -0.064 0.000 2.208 495 I HA -0.338 2.980 4.170 -1.420 0.000 0.245 495 I C 2.685 178.490 176.117 -0.520 0.000 1.097 495 I CA 1.473 62.625 61.300 -0.247 0.000 1.363 495 I CB -0.205 37.638 38.000 -0.262 0.000 1.051 495 I HN 0.172 nan 8.210 nan 0.000 0.413 496 M N 0.027 119.425 119.600 -0.336 0.000 2.117 496 M HA -0.189 3.439 4.480 -1.420 0.000 0.262 496 M C 1.941 178.254 176.300 0.021 0.000 1.065 496 M CA 1.634 56.801 55.300 -0.222 0.000 1.114 496 M CB -0.573 31.989 32.600 -0.062 0.000 1.361 496 M HN 0.251 nan 8.290 nan 0.000 0.408 497 N N 0.823 119.555 118.700 0.054 0.000 2.244 497 N HA -0.055 3.833 4.740 -1.420 0.000 0.183 497 N C 1.652 177.342 175.510 0.299 0.000 1.016 497 N CA 1.511 54.685 53.050 0.207 0.000 0.866 497 N CB -0.375 38.183 38.487 0.118 0.000 0.980 497 N HN 0.321 nan 8.380 nan 0.000 0.430 498 A N 0.250 123.179 122.820 0.182 0.000 2.067 498 A HA -0.052 3.416 4.320 -1.420 0.000 0.219 498 A C 1.586 179.434 177.584 0.440 0.000 1.158 498 A CA 0.686 52.864 52.037 0.234 0.000 0.661 498 A CB -0.583 18.536 19.000 0.197 0.000 0.801 498 A HN 0.110 nan 8.150 nan 0.000 0.452 499 F N -1.304 118.809 119.950 0.270 0.000 2.407 499 F HA -0.054 3.621 4.527 -1.420 0.000 0.299 499 F C 2.077 178.052 175.800 0.292 0.000 1.097 499 F CA 0.407 58.637 58.000 0.382 0.000 1.422 499 F CB -1.176 38.063 39.000 0.398 0.000 1.067 499 F HN 0.603 nan 8.300 nan 0.000 0.539 500 Y N 0.201 120.721 120.300 0.366 0.000 2.243 500 Y HA 0.170 3.863 4.550 -1.429 0.000 0.293 500 Y C 2.359 178.367 175.900 0.179 0.000 1.124 500 Y CA 1.079 59.316 58.100 0.229 0.000 1.159 500 Y CB -1.032 37.581 38.460 0.255 0.000 1.008 500 Y HN -0.051 nan 8.280 nan 0.000 0.527 501 G N 1.155 109.707 108.800 -0.414 0.000 2.476 501 G HA2 -0.312 2.796 3.960 -1.420 0.000 0.218 501 G HA3 -0.312 2.796 3.960 -1.420 0.000 0.218 501 G C 1.683 176.432 174.900 -0.251 0.000 1.164 501 G CA 2.460 47.248 45.100 -0.520 0.000 0.768 501 G HN 0.655 nan 8.290 nan 0.000 0.560 502 V N -0.620 119.236 119.914 -0.096 0.000 2.594 502 V HA -0.003 3.265 4.120 -1.420 0.000 0.253 502 V C 2.580 178.600 176.094 -0.122 0.000 1.069 502 V CA 1.470 63.709 62.300 -0.101 0.000 1.082 502 V CB -0.565 31.174 31.823 -0.140 0.000 0.680 502 V HN 0.340 nan 8.190 nan 0.000 0.469 503 L N 1.055 122.184 121.223 -0.156 0.000 2.551 503 L HA 0.209 3.697 4.340 -1.420 0.000 0.228 503 L C 2.262 179.151 176.870 0.033 0.000 1.153 503 L CA 0.958 55.743 54.840 -0.091 0.000 0.851 503 L CB -0.695 41.311 42.059 -0.089 0.000 0.959 503 L HN 0.530 nan 8.230 nan 0.000 0.451 504 G N -1.349 107.488 108.800 0.063 0.000 3.277 504 G HA2 0.033 3.141 3.960 -1.420 0.000 0.243 504 G HA3 0.033 3.141 3.960 -1.420 0.000 0.243 504 G C 0.378 175.494 174.900 0.360 0.000 1.107 504 G CA 0.090 45.320 45.100 0.217 0.000 0.771 504 G HN 0.154 nan 8.290 nan 0.000 0.544 505 T N -0.571 114.130 114.554 0.245 0.000 2.829 505 T HA 0.396 3.894 4.350 -1.420 0.000 0.280 505 T C 1.771 176.290 174.700 -0.301 0.000 0.999 505 T CA 0.375 62.444 62.100 -0.053 0.000 0.983 505 T CB 1.503 70.337 68.868 -0.057 0.000 0.968 505 T HN 0.072 nan 8.240 nan 0.000 0.446 506 T N 1.808 115.956 114.554 -0.677 0.000 3.051 506 T HA 0.062 3.560 4.350 -1.420 0.000 0.269 506 T C 2.027 176.555 174.700 -0.286 0.000 1.127 506 T CA 0.816 62.500 62.100 -0.694 0.000 1.107 506 T CB -0.331 68.163 68.868 -0.623 0.000 0.898 506 T HN 0.645 nan 8.240 nan 0.000 0.517 507 A N -0.057 122.643 122.820 -0.200 0.000 2.209 507 A HA 0.245 3.713 4.320 -1.420 0.000 0.212 507 A C 1.397 178.939 177.584 -0.069 0.000 1.158 507 A CA 0.151 52.117 52.037 -0.119 0.000 0.742 507 A CB -0.924 18.019 19.000 -0.095 0.000 0.790 507 A HN 0.680 nan 8.150 nan 0.000 0.472 508 C N 1.058 120.321 119.300 -0.062 0.000 2.303 508 C HA 0.496 4.104 4.460 -1.420 0.000 0.326 508 C C 2.090 177.039 174.990 -0.068 0.000 1.285 508 C CA -0.716 58.274 59.018 -0.046 0.000 1.675 508 C CB 0.451 28.166 27.740 -0.042 0.000 2.289 508 C HN 0.718 nan 8.230 nan 0.000 0.512 509 R N 2.654 123.038 120.500 -0.192 0.000 2.193 509 R HA -0.090 3.398 4.340 -1.420 0.000 0.229 509 R C 0.450 176.491 176.300 -0.430 0.000 1.110 509 R CA 1.844 57.746 56.100 -0.331 0.000 0.988 509 R CB -0.452 29.567 30.300 -0.469 0.000 0.871 509 R HN 0.688 nan 8.270 nan 0.000 0.458 510 F N 0.701 120.573 119.950 -0.130 0.000 2.797 510 F HA 0.194 3.866 4.527 -1.425 0.000 0.302 510 F C 0.625 176.364 175.800 -0.102 0.000 1.130 510 F CA -1.242 56.647 58.000 -0.185 0.000 1.387 510 F CB -0.396 38.416 39.000 -0.313 0.000 1.107 510 F HN -0.118 nan 8.300 nan 0.000 0.577 511 F N 2.508 122.431 119.950 -0.046 0.000 2.623 511 F HA 0.136 3.827 4.527 -1.392 0.000 0.386 511 F C 0.108 175.911 175.800 0.005 0.000 1.068 511 F CA 0.360 58.339 58.000 -0.035 0.000 1.265 511 F CB 0.171 39.142 39.000 -0.049 0.000 1.026 511 F HN -0.008 nan 8.300 nan 0.000 0.568 512 D N 7.463 127.267 120.400 -0.992 0.000 2.726 512 D HA 0.174 3.962 4.640 -1.420 0.000 0.203 512 D C -2.392 173.479 176.300 -0.716 0.000 1.297 512 D CA -1.227 52.278 54.000 -0.826 0.000 0.863 512 D CB 2.276 42.906 40.800 -0.283 0.000 1.669 512 D HN 0.139 nan 8.370 nan 0.000 0.561 513 P HA -0.060 nan 4.420 nan 0.000 0.218 513 P C 1.264 178.437 177.300 -0.212 0.000 1.148 513 P CA 0.993 63.888 63.100 -0.342 0.000 0.822 513 P CB 0.347 31.851 31.700 -0.327 0.000 0.784 514 R N -0.934 119.450 120.500 -0.194 0.000 2.120 514 R HA -0.063 3.425 4.340 -1.420 0.000 0.234 514 R C 2.240 178.571 176.300 0.052 0.000 1.123 514 R CA 1.050 57.106 56.100 -0.072 0.000 0.975 514 R CB -0.837 29.411 30.300 -0.086 0.000 0.866 514 R HN 0.261 nan 8.270 nan 0.000 0.446 515 L N -0.391 120.844 121.223 0.019 0.000 2.023 515 L HA -0.080 3.408 4.340 -1.420 0.000 0.205 515 L C 2.684 179.578 176.870 0.041 0.000 1.073 515 L CA 1.212 56.107 54.840 0.092 0.000 0.745 515 L CB -0.630 41.453 42.059 0.041 0.000 0.900 515 L HN 0.204 nan 8.230 nan 0.000 0.435 516 A N -0.457 122.371 122.820 0.014 0.000 1.877 516 A HA -0.193 3.275 4.320 -1.420 0.000 0.216 516 A C 2.485 180.077 177.584 0.014 0.000 1.186 516 A CA 2.183 54.283 52.037 0.106 0.000 0.620 516 A CB -0.685 18.385 19.000 0.116 0.000 0.822 516 A HN 0.377 nan 8.150 nan 0.000 0.443 517 S N -0.045 115.633 115.700 -0.035 0.000 2.402 517 S HA -0.080 3.538 4.470 -1.420 0.000 0.229 517 S C 2.149 176.635 174.600 -0.190 0.000 1.021 517 S CA 1.245 59.374 58.200 -0.117 0.000 0.974 517 S CB -0.219 62.937 63.200 -0.074 0.000 0.800 517 S HN 0.595 nan 8.310 nan 0.000 0.484 518 S N 1.143 116.820 115.700 -0.038 0.000 2.447 518 S HA 0.117 3.735 4.470 -1.420 0.000 0.233 518 S C 1.617 176.105 174.600 -0.187 0.000 1.006 518 S CA 0.627 58.862 58.200 0.057 0.000 0.957 518 S CB -0.225 63.106 63.200 0.218 0.000 0.773 518 S HN 0.428 nan 8.310 nan 0.000 0.507 519 I N 1.228 121.620 120.570 -0.297 0.000 2.270 519 I HA -0.117 3.201 4.170 -1.420 0.000 0.239 519 I C 2.859 178.511 176.117 -0.775 0.000 1.080 519 I CA 1.477 62.474 61.300 -0.506 0.000 1.383 519 I CB -0.832 36.861 38.000 -0.512 0.000 1.097 519 I HN 0.354 nan 8.210 nan 0.000 0.420 520 T N -0.654 113.439 114.554 -0.768 0.000 2.788 520 T HA -0.160 3.338 4.350 -1.420 0.000 0.268 520 T C 1.854 175.945 174.700 -1.016 0.000 1.044 520 T CA 1.168 62.782 62.100 -0.810 0.000 1.139 520 T CB -0.423 68.175 68.868 -0.449 0.000 0.867 520 T HN 0.171 nan 8.240 nan 0.000 0.454 521 M N 0.255 119.227 119.600 -1.046 0.000 2.296 521 M HA 0.120 3.748 4.480 -1.420 0.000 0.265 521 M C 2.632 178.265 176.300 -1.111 0.000 1.064 521 M CA 1.155 55.629 55.300 -1.377 0.000 1.109 521 M CB -0.209 31.302 32.600 -1.815 0.000 1.396 521 M HN 0.138 nan 8.290 nan 0.000 0.430 522 R N 0.660 120.677 120.500 -0.805 0.000 2.115 522 R HA -0.020 3.468 4.340 -1.420 0.000 0.226 522 R C 2.071 178.130 176.300 -0.402 0.000 1.100 522 R CA 1.686 57.502 56.100 -0.472 0.000 0.980 522 R CB -1.076 28.875 30.300 -0.582 0.000 0.875 522 R HN 0.358 nan 8.270 nan 0.000 0.445 523 G N -0.834 107.699 108.800 -0.445 0.000 2.422 523 G HA2 -0.259 2.849 3.960 -1.420 0.000 0.218 523 G HA3 -0.259 2.849 3.960 -1.420 0.000 0.218 523 G C 1.077 175.967 174.900 -0.016 0.000 1.146 523 G CA 1.105 46.083 45.100 -0.203 0.000 0.769 523 G HN 0.537 nan 8.290 nan 0.000 0.547 524 H N -0.542 118.453 119.070 -0.125 0.000 2.353 524 H HA -0.088 3.621 4.556 -1.412 0.000 0.300 524 H C 2.597 177.872 175.328 -0.087 0.000 1.090 524 H CA 1.227 57.212 56.048 -0.105 0.000 1.327 524 H CB 0.052 29.686 29.762 -0.214 0.000 1.383 524 H HN 0.396 nan 8.280 nan 0.000 0.508 525 Q N 1.072 120.896 119.800 0.040 0.000 2.084 525 Q HA -0.154 3.334 4.340 -1.420 0.000 0.202 525 Q C 2.262 178.375 176.000 0.189 0.000 0.978 525 Q CA 1.443 57.304 55.803 0.097 0.000 0.844 525 Q CB 0.023 28.825 28.738 0.107 0.000 0.898 525 Q HN 0.506 nan 8.270 nan 0.000 0.426 526 I N 0.149 120.787 120.570 0.115 0.000 2.226 526 I HA -0.295 3.023 4.170 -1.420 0.000 0.245 526 I C 2.465 178.752 176.117 0.283 0.000 1.100 526 I CA 0.726 62.131 61.300 0.175 0.000 1.374 526 I CB -0.215 37.627 38.000 -0.264 0.000 1.057 526 I HN 0.361 nan 8.210 nan 0.000 0.413 527 M N 0.206 119.936 119.600 0.216 0.000 2.086 527 M HA -0.197 3.431 4.480 -1.420 0.000 0.261 527 M C 2.477 178.936 176.300 0.264 0.000 1.067 527 M CA 1.899 57.371 55.300 0.286 0.000 1.116 527 M CB -1.026 31.801 32.600 0.379 0.000 1.348 527 M HN 0.195 nan 8.290 nan 0.000 0.407 528 R N -0.566 120.050 120.500 0.193 0.000 2.092 528 R HA -0.181 3.307 4.340 -1.420 0.000 0.231 528 R C 2.206 178.567 176.300 0.101 0.000 1.119 528 R CA 1.287 57.462 56.100 0.124 0.000 0.970 528 R CB -0.371 29.939 30.300 0.018 0.000 0.864 528 R HN 0.318 nan 8.270 nan 0.000 0.440 529 Q N 0.445 120.326 119.800 0.135 0.000 2.079 529 Q HA -0.094 3.394 4.340 -1.420 0.000 0.200 529 Q C 1.734 177.694 176.000 -0.067 0.000 0.974 529 Q CA 2.032 57.837 55.803 0.003 0.000 0.840 529 Q CB -0.225 28.556 28.738 0.073 0.000 0.898 529 Q HN 0.167 nan 8.270 nan 0.000 0.430 530 T N 0.568 115.218 114.554 0.160 0.000 2.746 530 T HA -0.175 3.323 4.350 -1.420 0.000 0.267 530 T C 1.568 176.305 174.700 0.062 0.000 1.039 530 T CA 1.585 63.782 62.100 0.161 0.000 1.142 530 T CB -0.249 68.844 68.868 0.376 0.000 0.866 530 T HN 0.403 nan 8.240 nan 0.000 0.444 531 K N 1.192 121.646 120.400 0.090 0.000 2.026 531 K HA -0.052 3.416 4.320 -1.420 0.000 0.208 531 K C 2.506 179.116 176.600 0.017 0.000 1.048 531 K CA 1.331 57.660 56.287 0.070 0.000 0.929 531 K CB -0.365 32.197 32.500 0.104 0.000 0.713 531 K HN 0.264 nan 8.250 nan 0.000 0.439 532 A N 1.389 124.194 122.820 -0.024 0.000 1.902 532 A HA -0.121 3.347 4.320 -1.420 0.000 0.217 532 A C 2.154 179.669 177.584 -0.115 0.000 1.181 532 A CA 1.364 53.360 52.037 -0.068 0.000 0.623 532 A CB -0.616 18.323 19.000 -0.101 0.000 0.818 532 A HN 0.353 nan 8.150 nan 0.000 0.443 533 L N -0.784 120.322 121.223 -0.195 0.000 2.046 533 L HA -0.178 3.310 4.340 -1.420 0.000 0.208 533 L C 2.473 179.324 176.870 -0.031 0.000 1.077 533 L CA 1.320 56.039 54.840 -0.201 0.000 0.747 533 L CB -0.461 41.382 42.059 -0.361 0.000 0.896 533 L HN 0.382 nan 8.230 nan 0.000 0.432 534 I N -0.491 120.077 120.570 -0.003 0.000 2.252 534 I HA -0.249 3.069 4.170 -1.420 0.000 0.245 534 I C 2.389 178.540 176.117 0.058 0.000 1.102 534 I CA 1.203 62.532 61.300 0.047 0.000 1.385 534 I CB -0.239 37.787 38.000 0.044 0.000 1.064 534 I HN 0.252 nan 8.210 nan 0.000 0.414 535 E N 0.930 121.146 120.200 0.027 0.000 2.153 535 E HA -0.196 3.302 4.350 -1.420 0.000 0.194 535 E C 2.304 178.888 176.600 -0.027 0.000 0.988 535 E CA 1.179 57.587 56.400 0.014 0.000 0.811 535 E CB -0.166 29.543 29.700 0.014 0.000 0.746 535 E HN 0.515 nan 8.360 nan 0.000 0.466 536 A N 0.992 123.790 122.820 -0.037 0.000 2.015 536 A HA -0.147 3.321 4.320 -1.420 0.000 0.219 536 A C 1.901 179.436 177.584 -0.082 0.000 1.163 536 A CA 0.930 52.935 52.037 -0.054 0.000 0.646 536 A CB -0.023 18.947 19.000 -0.050 0.000 0.806 536 A HN 0.068 nan 8.150 nan 0.000 0.448 537 Q N -1.254 118.501 119.800 -0.076 0.000 2.415 537 Q HA 0.173 3.661 4.340 -1.420 0.000 0.206 537 Q C 1.115 176.998 176.000 -0.195 0.000 0.946 537 Q CA 0.734 56.470 55.803 -0.112 0.000 0.951 537 Q CB 0.138 28.839 28.738 -0.061 0.000 1.026 537 Q HN 0.955 nan 8.270 nan 0.000 0.510 538 G N -0.007 108.660 108.800 -0.220 0.000 2.159 538 G HA2 -0.255 2.853 3.960 -1.420 0.000 0.227 538 G HA3 -0.255 2.853 3.960 -1.420 0.000 0.227 538 G C -0.415 174.147 174.900 -0.563 0.000 0.986 538 G CA -0.233 44.627 45.100 -0.400 0.000 0.651 538 G HN 0.282 nan 8.290 nan 0.000 0.523 539 Y N 0.656 120.896 120.300 -0.101 0.000 2.468 539 Y HA 0.604 4.301 4.550 -1.420 0.000 0.342 539 Y C 0.124 175.988 175.900 -0.060 0.000 1.021 539 Y CA -1.217 56.817 58.100 -0.110 0.000 1.079 539 Y CB 1.332 39.724 38.460 -0.114 0.000 1.226 539 Y HN -0.026 nan 8.280 nan 0.000 0.460 540 D N 1.281 121.750 120.400 0.114 0.000 2.304 540 D HA 0.321 4.109 4.640 -1.420 0.000 0.250 540 D C -0.889 175.530 176.300 0.198 0.000 1.107 540 D CA 0.013 54.109 54.000 0.160 0.000 0.885 540 D CB 1.562 42.519 40.800 0.262 0.000 1.192 540 D HN 0.151 nan 8.370 nan 0.000 0.436 541 V N 3.796 123.809 119.914 0.164 0.000 2.357 541 V HA 0.181 3.449 4.120 -1.420 0.000 0.284 541 V C 1.280 177.460 176.094 0.143 0.000 1.018 541 V CA -0.497 61.885 62.300 0.136 0.000 0.841 541 V CB 1.224 33.111 31.823 0.106 0.000 0.991 541 V HN 0.490 nan 8.190 nan 0.000 0.437 542 I N 2.370 123.011 120.570 0.117 0.000 3.783 542 I HA 0.436 3.754 4.170 -1.420 0.000 0.310 542 I C 0.210 176.385 176.117 0.097 0.000 1.274 542 I CA 0.450 61.795 61.300 0.075 0.000 1.294 542 I CB 0.328 38.271 38.000 -0.095 0.000 1.051 542 I HN 0.520 nan 8.210 nan 0.000 0.435 543 Y N 0.752 120.992 120.300 -0.100 0.000 2.774 543 Y HA 0.657 4.356 4.550 -1.418 0.000 0.346 543 Y C -1.061 174.783 175.900 -0.093 0.000 1.222 543 Y CA -0.836 57.122 58.100 -0.238 0.000 1.088 543 Y CB 1.179 39.272 38.460 -0.611 0.000 1.354 543 Y HN 0.072 nan 8.280 nan 0.000 0.455 544 G N 2.286 110.480 108.800 -1.009 0.000 2.596 544 G HA2 0.446 3.554 3.960 -1.420 0.000 0.296 544 G HA3 0.446 3.554 3.960 -1.420 0.000 0.296 544 G C -2.700 171.705 174.900 -0.825 0.000 1.513 544 G CA -0.662 44.094 45.100 -0.573 0.000 0.851 544 G HN 0.579 nan 8.290 nan 0.000 0.548 545 D N 0.694 120.844 120.400 -0.416 0.000 2.476 545 D HA 0.533 4.321 4.640 -1.420 0.000 0.251 545 D C 1.160 177.413 176.300 -0.080 0.000 1.291 545 D CA 0.713 54.548 54.000 -0.275 0.000 0.939 545 D CB 1.073 41.780 40.800 -0.154 0.000 1.221 545 D HN 0.583 nan 8.370 nan 0.000 0.567 546 T N 2.400 116.928 114.554 -0.043 0.000 12.724 546 T HA -0.277 3.221 4.350 -1.420 0.000 0.418 546 T C 0.578 175.332 174.700 0.091 0.000 1.446 546 T CA 1.911 64.042 62.100 0.052 0.000 2.382 546 T CB -1.086 67.776 68.868 -0.010 0.000 2.829 546 T HN 0.649 nan 8.240 nan 0.000 0.744 547 D N 1.191 121.638 120.400 0.077 0.000 2.651 547 D HA 0.338 4.126 4.640 -1.420 0.000 0.280 547 D C -0.002 176.431 176.300 0.221 0.000 1.496 547 D CA 0.507 54.623 54.000 0.193 0.000 0.792 547 D CB -0.041 40.852 40.800 0.155 0.000 1.144 547 D HN 0.706 nan 8.370 nan 0.000 0.470 548 S N -0.937 114.829 115.700 0.110 0.000 2.600 548 S HA 0.807 4.425 4.470 -1.420 0.000 0.300 548 S C -0.493 174.145 174.600 0.064 0.000 1.087 548 S CA -0.417 57.814 58.200 0.052 0.000 0.965 548 S CB 2.224 65.452 63.200 0.047 0.000 1.089 548 S HN -0.025 nan 8.310 nan 0.000 0.496 549 T N 2.091 116.653 114.554 0.013 0.000 2.928 549 T HA 0.463 3.961 4.350 -1.420 0.000 0.296 549 T C -1.383 173.316 174.700 -0.002 0.000 1.000 549 T CA -0.297 61.838 62.100 0.059 0.000 0.989 549 T CB 0.347 69.231 68.868 0.026 0.000 1.005 549 T HN 0.548 nan 8.240 nan 0.000 0.442 550 F N 2.364 122.226 119.950 -0.148 0.000 2.391 550 F HA 0.497 4.172 4.527 -1.421 0.000 0.359 550 F C 0.229 175.933 175.800 -0.159 0.000 1.122 550 F CA -0.936 56.939 58.000 -0.208 0.000 1.120 550 F CB 1.161 39.995 39.000 -0.277 0.000 1.142 550 F HN 0.183 nan 8.300 nan 0.000 0.483 551 V N 3.553 123.431 119.914 -0.060 0.000 2.328 551 V HA 0.083 3.351 4.120 -1.420 0.000 0.278 551 V C -0.699 175.407 176.094 0.020 0.000 1.021 551 V CA -0.839 61.444 62.300 -0.030 0.000 0.838 551 V CB 0.806 32.548 31.823 -0.135 0.000 0.999 551 V HN 0.661 nan 8.190 nan 0.000 0.447 552 W N 7.431 128.660 121.300 -0.118 0.000 2.388 552 W HA 0.526 4.333 4.660 -1.421 0.000 0.308 552 W C -0.660 175.868 176.519 0.016 0.000 1.263 552 W CA -1.530 55.759 57.345 -0.093 0.000 1.286 552 W CB 0.592 30.003 29.460 -0.081 0.000 1.294 552 W HN 0.436 nan 8.180 nan 0.000 0.493 553 L N 8.436 129.713 121.223 0.091 0.000 2.270 553 L HA 0.280 3.768 4.340 -1.420 0.000 0.286 553 L C 0.725 177.551 176.870 -0.073 0.000 1.059 553 L CA -0.723 54.049 54.840 -0.114 0.000 0.839 553 L CB 0.141 41.922 42.059 -0.462 0.000 1.221 553 L HN 0.270 nan 8.230 nan 0.000 0.431 554 K N 2.639 122.835 120.400 -0.340 0.000 2.436 554 K HA 0.473 3.941 4.320 -1.420 0.000 0.275 554 K C 0.783 177.473 176.600 0.150 0.000 0.999 554 K CA 0.340 56.490 56.287 -0.228 0.000 0.980 554 K CB 0.639 32.872 32.500 -0.446 0.000 0.919 554 K HN 0.789 nan 8.250 nan 0.000 0.484 555 G N 0.815 109.731 108.800 0.193 0.000 2.587 555 G HA2 -0.078 3.030 3.960 -1.420 0.000 0.212 555 G HA3 -0.078 3.030 3.960 -1.420 0.000 0.212 555 G C -1.018 173.962 174.900 0.133 0.000 1.327 555 G CA -0.497 44.678 45.100 0.126 0.000 0.898 555 G HN 0.812 nan 8.290 nan 0.000 0.551 556 A N 0.349 123.132 122.820 -0.062 0.000 2.302 556 A HA 0.736 4.204 4.320 -1.420 0.000 0.295 556 A C -0.228 177.169 177.584 -0.312 0.000 1.235 556 A CA 0.201 52.195 52.037 -0.072 0.000 0.876 556 A CB 0.218 19.184 19.000 -0.057 0.000 1.133 556 A HN 1.182 nan 8.150 nan 0.000 0.533 557 H N 1.077 120.181 119.070 0.056 0.000 2.782 557 H HA 0.448 4.152 4.556 -1.419 0.000 0.347 557 H C 0.331 175.671 175.328 0.020 0.000 1.038 557 H CA -0.004 56.049 56.048 0.007 0.000 1.255 557 H CB 1.844 31.578 29.762 -0.048 0.000 1.623 557 H HN 0.737 nan 8.280 nan 0.000 0.525 558 S N 1.713 117.465 115.700 0.086 0.000 2.634 558 S HA 0.083 3.701 4.470 -1.420 0.000 0.261 558 S C 1.124 175.748 174.600 0.040 0.000 1.271 558 S CA -0.729 57.513 58.200 0.070 0.000 0.985 558 S CB 1.146 64.365 63.200 0.030 0.000 0.968 558 S HN 0.640 nan 8.310 nan 0.000 0.568 559 E N 0.811 121.055 120.200 0.073 0.000 2.077 559 E HA -0.167 3.331 4.350 -1.420 0.000 0.193 559 E C 1.868 178.462 176.600 -0.012 0.000 0.989 559 E CA 1.421 57.863 56.400 0.071 0.000 0.800 559 E CB -0.444 29.319 29.700 0.105 0.000 0.746 559 E HN 0.898 nan 8.360 nan 0.000 0.452 560 E N 0.623 120.818 120.200 -0.008 0.000 2.047 560 E HA -0.225 3.273 4.350 -1.420 0.000 0.191 560 E C 2.020 178.583 176.600 -0.061 0.000 0.987 560 E CA 1.375 57.760 56.400 -0.026 0.000 0.799 560 E CB 0.065 29.757 29.700 -0.013 0.000 0.752 560 E HN 0.083 nan 8.360 nan 0.000 0.449 561 E N 0.480 120.651 120.200 -0.049 0.000 2.106 561 E HA -0.147 3.351 4.350 -1.420 0.000 0.192 561 E C 1.715 178.242 176.600 -0.121 0.000 0.984 561 E CA 1.498 57.873 56.400 -0.043 0.000 0.806 561 E CB -0.292 29.425 29.700 0.028 0.000 0.750 561 E HN 0.302 nan 8.360 nan 0.000 0.458 562 A N 0.877 123.566 122.820 -0.219 0.000 1.898 562 A HA 0.010 3.478 4.320 -1.420 0.000 0.216 562 A C 2.468 179.796 177.584 -0.426 0.000 1.181 562 A CA 1.924 53.693 52.037 -0.447 0.000 0.620 562 A CB -1.030 17.395 19.000 -0.958 0.000 0.819 562 A HN 0.424 nan 8.150 nan 0.000 0.442 563 A N -0.073 122.572 122.820 -0.292 0.000 1.933 563 A HA -0.160 3.308 4.320 -1.420 0.000 0.218 563 A C 2.125 179.454 177.584 -0.426 0.000 1.175 563 A CA 1.976 53.816 52.037 -0.329 0.000 0.628 563 A CB -0.448 18.521 19.000 -0.052 0.000 0.814 563 A HN 0.578 nan 8.150 nan 0.000 0.444 564 K N -0.146 120.095 120.400 -0.265 0.000 2.057 564 K HA -0.090 3.378 4.320 -1.420 0.000 0.207 564 K C 1.767 178.206 176.600 -0.268 0.000 1.049 564 K CA 1.618 57.777 56.287 -0.213 0.000 0.931 564 K CB -0.313 32.111 32.500 -0.126 0.000 0.714 564 K HN 0.507 nan 8.250 nan 0.000 0.440 565 I N 0.621 120.999 120.570 -0.319 0.000 2.252 565 I HA -0.155 3.163 4.170 -1.420 0.000 0.245 565 I C 2.477 178.316 176.117 -0.463 0.000 1.102 565 I CA 1.257 62.345 61.300 -0.354 0.000 1.385 565 I CB -0.596 37.148 38.000 -0.427 0.000 1.064 565 I HN 0.392 nan 8.210 nan 0.000 0.414 566 G N 0.942 109.333 108.800 -0.681 0.000 2.421 566 G HA2 -0.210 2.898 3.960 -1.420 0.000 0.216 566 G HA3 -0.210 2.898 3.960 -1.420 0.000 0.216 566 G C 1.807 176.362 174.900 -0.576 0.000 1.171 566 G CA 0.377 44.970 45.100 -0.845 0.000 0.775 566 G HN 0.290 nan 8.290 nan 0.000 0.543 567 R N 0.555 120.735 120.500 -0.534 0.000 2.096 567 R HA 0.039 3.527 4.340 -1.420 0.000 0.235 567 R C 2.999 179.210 176.300 -0.149 0.000 1.127 567 R CA 1.096 57.048 56.100 -0.247 0.000 0.968 567 R CB -0.394 29.799 30.300 -0.177 0.000 0.861 567 R HN 0.352 nan 8.270 nan 0.000 0.440 568 A N 1.422 124.144 122.820 -0.163 0.000 1.902 568 A HA -0.109 3.359 4.320 -1.420 0.000 0.217 568 A C 2.210 179.765 177.584 -0.048 0.000 1.181 568 A CA 1.074 53.059 52.037 -0.087 0.000 0.623 568 A CB -0.491 18.453 19.000 -0.094 0.000 0.818 568 A HN 0.155 nan 8.150 nan 0.000 0.443 569 L N 0.031 121.189 121.223 -0.108 0.000 2.017 569 L HA -0.175 3.313 4.340 -1.420 0.000 0.208 569 L C 2.734 179.612 176.870 0.013 0.000 1.073 569 L CA 1.631 56.442 54.840 -0.049 0.000 0.745 569 L CB -0.713 41.261 42.059 -0.143 0.000 0.894 569 L HN 0.466 nan 8.230 nan 0.000 0.432 570 V N -2.966 116.927 119.914 -0.035 0.000 2.427 570 V HA -0.249 3.019 4.120 -1.420 0.000 0.248 570 V C 2.399 178.523 176.094 0.049 0.000 1.051 570 V CA 1.570 63.867 62.300 -0.004 0.000 1.048 570 V CB -0.752 31.057 31.823 -0.023 0.000 0.666 570 V HN 0.496 nan 8.190 nan 0.000 0.456 571 Q N 0.757 120.586 119.800 0.048 0.000 2.084 571 Q HA -0.306 3.182 4.340 -1.420 0.000 0.202 571 Q C 2.323 178.389 176.000 0.111 0.000 0.978 571 Q CA 2.712 58.558 55.803 0.072 0.000 0.844 571 Q CB -0.584 28.185 28.738 0.051 0.000 0.898 571 Q HN 0.928 nan 8.270 nan 0.000 0.426 572 H N -0.013 119.074 119.070 0.028 0.000 2.321 572 H HA -0.075 3.630 4.556 -1.419 0.000 0.300 572 H C 2.001 177.378 175.328 0.081 0.000 1.087 572 H CA 2.193 58.266 56.048 0.043 0.000 1.319 572 H CB -0.195 29.571 29.762 0.007 0.000 1.379 572 H HN 0.055 nan 8.280 nan 0.000 0.501 573 V N 1.055 120.952 119.914 -0.029 0.000 2.295 573 V HA -0.263 3.005 4.120 -1.420 0.000 0.246 573 V C 2.104 178.306 176.094 0.179 0.000 1.049 573 V CA 2.007 64.290 62.300 -0.028 0.000 1.024 573 V CB -0.509 31.379 31.823 0.107 0.000 0.648 573 V HN 0.554 nan 8.190 nan 0.000 0.447 574 N N 0.659 119.500 118.700 0.235 0.000 2.166 574 N HA -0.112 3.776 4.740 -1.420 0.000 0.186 574 N C 1.833 177.487 175.510 0.240 0.000 1.019 574 N CA 1.625 54.866 53.050 0.318 0.000 0.856 574 N CB -0.480 38.137 38.487 0.216 0.000 0.993 574 N HN 0.508 nan 8.380 nan 0.000 0.426 575 A N -0.259 122.641 122.820 0.133 0.000 1.930 575 A HA -0.117 3.351 4.320 -1.420 0.000 0.217 575 A C 2.169 179.787 177.584 0.057 0.000 1.175 575 A CA 0.898 52.983 52.037 0.080 0.000 0.627 575 A CB -1.025 18.008 19.000 0.054 0.000 0.815 575 A HN 0.480 nan 8.150 nan 0.000 0.443 576 W N -0.661 120.525 121.300 -0.190 0.000 2.358 576 W HA -0.177 3.630 4.660 -1.423 0.000 0.303 576 W C 1.927 178.325 176.519 -0.202 0.000 1.208 576 W CA 1.768 58.939 57.345 -0.289 0.000 1.274 576 W CB -0.348 28.795 29.460 -0.529 0.000 1.138 576 W HN 0.465 nan 8.180 nan 0.000 0.515 577 W N -0.076 121.386 121.300 0.270 0.000 2.381 577 W HA -0.137 3.673 4.660 -1.417 0.000 0.301 577 W C 2.616 179.104 176.519 -0.051 0.000 1.205 577 W CA 1.642 59.075 57.345 0.148 0.000 1.285 577 W CB -0.951 28.648 29.460 0.232 0.000 1.133 577 W HN -0.077 nan 8.180 nan 0.000 0.521 578 A N 0.242 123.173 122.820 0.185 0.000 1.877 578 A HA -0.280 3.189 4.320 -1.420 0.000 0.216 578 A C 1.877 179.430 177.584 -0.052 0.000 1.186 578 A CA 1.990 54.059 52.037 0.053 0.000 0.620 578 A CB -1.010 18.017 19.000 0.045 0.000 0.822 578 A HN 0.421 nan 8.150 nan 0.000 0.443 579 E N -0.718 119.403 120.200 -0.132 0.000 2.031 579 E HA -0.183 3.315 4.350 -1.420 0.000 0.193 579 E C 2.000 178.430 176.600 -0.284 0.000 0.994 579 E CA 1.831 58.102 56.400 -0.215 0.000 0.800 579 E CB -0.255 29.271 29.700 -0.290 0.000 0.752 579 E HN 0.529 nan 8.360 nan 0.000 0.447 580 T N 1.703 115.979 114.554 -0.465 0.000 2.708 580 T HA -0.117 3.381 4.350 -1.420 0.000 0.266 580 T C 1.946 176.544 174.700 -0.171 0.000 1.037 580 T CA 1.367 63.193 62.100 -0.457 0.000 1.146 580 T CB -0.202 68.163 68.868 -0.839 0.000 0.865 580 T HN 0.168 nan 8.240 nan 0.000 0.435 581 L N 0.836 122.020 121.223 -0.064 0.000 2.201 581 L HA -0.056 3.432 4.340 -1.420 0.000 0.212 581 L C 2.859 179.685 176.870 -0.074 0.000 1.105 581 L CA 1.061 55.878 54.840 -0.038 0.000 0.775 581 L CB -0.582 41.445 42.059 -0.054 0.000 0.913 581 L HN 0.318 nan 8.230 nan 0.000 0.440 582 Q N 0.865 120.616 119.800 -0.082 0.000 2.170 582 Q HA -0.215 3.273 4.340 -1.420 0.000 0.203 582 Q C 2.004 177.963 176.000 -0.067 0.000 0.976 582 Q CA 1.416 57.175 55.803 -0.074 0.000 0.858 582 Q CB 0.141 28.835 28.738 -0.072 0.000 0.907 582 Q HN 0.420 nan 8.270 nan 0.000 0.433 583 K N -0.152 120.200 120.400 -0.080 0.000 2.283 583 K HA -0.116 3.352 4.320 -1.420 0.000 0.202 583 K C 1.450 178.025 176.600 -0.041 0.000 1.048 583 K CA 0.962 57.209 56.287 -0.065 0.000 0.948 583 K CB 0.164 32.613 32.500 -0.085 0.000 0.742 583 K HN 0.358 nan 8.250 nan 0.000 0.458 584 Q N 0.150 119.929 119.800 -0.036 0.000 2.280 584 Q HA 0.159 3.647 4.340 -1.420 0.000 0.201 584 Q C -0.569 175.421 176.000 -0.017 0.000 0.890 584 Q CA -0.146 55.650 55.803 -0.012 0.000 0.947 584 Q CB 0.569 29.312 28.738 0.008 0.000 1.081 584 Q HN 0.135 nan 8.270 nan 0.000 0.502 585 R N 0.402 120.882 120.500 -0.032 0.000 3.525 585 R HA -0.180 3.308 4.340 -1.420 0.000 0.276 585 R C -0.848 175.423 176.300 -0.047 0.000 1.116 585 R CA 0.437 56.517 56.100 -0.033 0.000 0.745 585 R CB -1.986 28.303 30.300 -0.018 0.000 1.185 585 R HN 0.252 nan 8.270 nan 0.000 0.454 586 L N -0.744 120.432 121.223 -0.079 0.000 2.323 586 L HA 0.518 4.006 4.340 -1.420 0.000 0.265 586 L C 0.451 177.236 176.870 -0.142 0.000 1.012 586 L CA -0.892 53.868 54.840 -0.133 0.000 0.820 586 L CB 2.345 44.274 42.059 -0.216 0.000 1.334 586 L HN -0.116 nan 8.230 nan 0.000 0.427 587 T N 0.440 114.892 114.554 -0.169 0.000 2.770 587 T HA 0.173 3.671 4.350 -1.420 0.000 0.283 587 T C -0.109 174.476 174.700 -0.191 0.000 0.988 587 T CA -0.260 61.754 62.100 -0.144 0.000 0.957 587 T CB 1.364 70.160 68.868 -0.119 0.000 0.930 587 T HN 0.509 nan 8.240 nan 0.000 0.443 588 S N 2.156 117.771 115.700 -0.142 0.000 2.510 588 S HA 0.416 4.035 4.470 -1.420 0.000 0.279 588 S C 1.008 175.535 174.600 -0.122 0.000 1.284 588 S CA -0.479 57.639 58.200 -0.137 0.000 1.059 588 S CB 0.184 63.383 63.200 -0.001 0.000 0.901 588 S HN 0.823 nan 8.310 nan 0.000 0.491 589 A N 5.608 128.328 122.820 -0.167 0.000 2.470 589 A HA 0.390 3.858 4.320 -1.420 0.000 0.251 589 A C 0.448 178.012 177.584 -0.033 0.000 1.245 589 A CA -0.374 51.562 52.037 -0.167 0.000 0.932 589 A CB -0.044 18.773 19.000 -0.304 0.000 1.037 589 A HN 0.768 nan 8.150 nan 0.000 0.522 590 L N 0.899 122.106 121.223 -0.026 0.000 2.455 590 L HA 0.238 3.726 4.340 -1.420 0.000 0.272 590 L C 0.368 177.381 176.870 0.238 0.000 1.174 590 L CA 0.291 55.154 54.840 0.038 0.000 0.869 590 L CB 0.445 42.359 42.059 -0.242 0.000 1.130 590 L HN 0.387 nan 8.230 nan 0.000 0.474 591 E N 3.786 124.217 120.200 0.385 0.000 2.621 591 E HA 0.220 3.718 4.350 -1.420 0.000 0.263 591 E C -1.317 175.415 176.600 0.220 0.000 1.033 591 E CA -0.814 55.775 56.400 0.314 0.000 0.778 591 E CB 1.329 31.205 29.700 0.293 0.000 1.426 591 E HN 0.373 nan 8.360 nan 0.000 0.394 592 L N 3.288 124.517 121.223 0.009 0.000 2.416 592 L HA 0.258 3.746 4.340 -1.420 0.000 0.272 592 L C -0.437 176.337 176.870 -0.160 0.000 1.161 592 L CA 0.725 55.301 54.840 -0.441 0.000 0.845 592 L CB 0.723 42.450 42.059 -0.554 0.000 1.119 592 L HN 0.480 nan 8.230 nan 0.000 0.464 593 E N 3.415 123.513 120.200 -0.170 0.000 2.227 593 E HA 0.158 3.656 4.350 -1.420 0.000 0.268 593 E C -1.671 174.890 176.600 -0.065 0.000 0.907 593 E CA -0.853 55.501 56.400 -0.078 0.000 0.786 593 E CB 1.845 31.498 29.700 -0.078 0.000 1.191 593 E HN 0.498 nan 8.360 nan 0.000 0.411 594 Y N 2.481 122.691 120.300 -0.150 0.000 2.452 594 Y HA 0.125 3.822 4.550 -1.421 0.000 0.348 594 Y C 0.576 176.369 175.900 -0.178 0.000 0.985 594 Y CA 0.174 58.169 58.100 -0.175 0.000 1.214 594 Y CB 0.464 38.833 38.460 -0.151 0.000 1.136 594 Y HN 0.617 nan 8.280 nan 0.000 0.523 595 E N 2.707 122.581 120.200 -0.544 0.000 2.079 595 E HA 0.109 3.607 4.350 -1.420 0.000 0.191 595 E C -0.269 175.881 176.600 -0.749 0.000 0.961 595 E CA 0.904 56.963 56.400 -0.567 0.000 0.823 595 E CB 0.475 29.944 29.700 -0.384 0.000 0.789 595 E HN 0.584 nan 8.360 nan 0.000 0.459 596 T N -0.985 113.095 114.554 -0.790 0.000 2.894 596 T HA 0.204 3.702 4.350 -1.420 0.000 0.309 596 T C -1.272 173.118 174.700 -0.517 0.000 1.208 596 T CA -0.694 60.971 62.100 -0.726 0.000 1.016 596 T CB 2.082 70.434 68.868 -0.860 0.000 1.192 596 T HN 0.149 nan 8.240 nan 0.000 0.491 597 H N 1.702 120.483 119.070 -0.481 0.000 2.708 597 H HA 0.474 4.178 4.556 -1.420 0.000 0.320 597 H C -1.490 173.671 175.328 -0.279 0.000 0.991 597 H CA -0.781 55.122 56.048 -0.242 0.000 1.243 597 H CB 0.347 30.084 29.762 -0.042 0.000 1.446 597 H HN 0.347 nan 8.280 nan 0.000 0.502 598 F N 4.860 124.598 119.950 -0.352 0.000 2.411 598 F HA 0.091 3.765 4.527 -1.421 0.000 0.355 598 F C 1.782 177.254 175.800 -0.545 0.000 1.117 598 F CA -0.661 57.116 58.000 -0.372 0.000 1.139 598 F CB 0.700 39.620 39.000 -0.134 0.000 1.120 598 F HN 0.668 nan 8.300 nan 0.000 0.493 599 C N 1.700 120.761 119.300 -0.398 0.000 2.448 599 C HA 0.246 3.854 4.460 -1.420 0.000 0.280 599 C C 0.825 175.770 174.990 -0.075 0.000 1.398 599 C CA -0.044 58.811 59.018 -0.271 0.000 1.774 599 C CB -0.683 26.954 27.740 -0.172 0.000 1.888 599 C HN 0.566 nan 8.230 nan 0.000 0.519 600 R N -0.333 120.073 120.500 -0.158 0.000 2.673 600 R HA 0.677 4.165 4.340 -1.420 0.000 0.281 600 R C -1.796 174.334 176.300 -0.283 0.000 0.991 600 R CA -0.386 55.580 56.100 -0.223 0.000 0.896 600 R CB 1.993 32.019 30.300 -0.456 0.000 1.201 600 R HN 0.415 nan 8.270 nan 0.000 0.457 601 F N 1.826 121.612 119.950 -0.273 0.000 2.596 601 F HA 0.490 4.165 4.527 -1.420 0.000 0.311 601 F C -1.762 174.004 175.800 -0.058 0.000 1.116 601 F CA -1.039 56.798 58.000 -0.272 0.000 0.957 601 F CB 1.620 40.495 39.000 -0.210 0.000 1.250 601 F HN 0.374 nan 8.300 nan 0.000 0.444 602 L N 7.117 127.887 121.223 -0.756 0.000 2.343 602 L HA 0.676 4.164 4.340 -1.420 0.000 0.278 602 L C -1.434 174.944 176.870 -0.819 0.000 0.996 602 L CA -0.589 53.891 54.840 -0.600 0.000 0.831 602 L CB 1.445 43.266 42.059 -0.396 0.000 1.232 602 L HN 0.718 nan 8.230 nan 0.000 0.413 603 M N 9.478 128.744 119.600 -0.557 0.000 2.044 603 M HA 0.598 4.226 4.480 -1.420 0.000 0.333 603 M C -2.597 173.519 176.300 -0.308 0.000 1.004 603 M CA -2.481 52.590 55.300 -0.382 0.000 0.954 603 M CB 1.074 33.595 32.600 -0.132 0.000 1.468 603 M HN 0.322 nan 8.290 nan 0.000 0.414 604 P HA 0.333 nan 4.420 nan 0.000 0.276 604 P C -0.837 176.515 177.300 0.086 0.000 1.261 604 P CA -0.243 62.887 63.100 0.050 0.000 0.800 604 P CB 0.471 32.184 31.700 0.022 0.000 1.066 605 T N -2.140 112.507 114.554 0.154 0.000 2.912 605 T HA 0.591 4.089 4.350 -1.420 0.000 0.280 605 T C 0.896 175.603 174.700 0.012 0.000 0.989 605 T CA -0.948 61.190 62.100 0.063 0.000 0.995 605 T CB 0.238 69.121 68.868 0.024 0.000 1.077 605 T HN 0.417 nan 8.240 nan 0.000 0.531 606 I N -1.405 119.164 120.570 -0.002 0.000 2.882 606 I HA 0.399 3.717 4.170 -1.420 0.000 0.286 606 I C 0.711 176.821 176.117 -0.011 0.000 1.139 606 I CA -1.162 60.134 61.300 -0.007 0.000 1.379 606 I CB 0.415 38.414 38.000 -0.002 0.000 1.410 606 I HN 0.533 nan 8.210 nan 0.000 0.594 607 R N 2.593 123.088 120.500 -0.010 0.000 2.489 607 R HA 0.214 3.703 4.340 -1.420 0.000 0.287 607 R C 1.026 177.317 176.300 -0.015 0.000 1.053 607 R CA 1.206 57.298 56.100 -0.014 0.000 1.036 607 R CB 0.461 30.759 30.300 -0.002 0.000 0.966 607 R HN 1.124 nan 8.270 nan 0.000 0.432 608 G N 1.403 110.188 108.800 -0.025 0.000 2.179 608 G HA2 -0.281 2.827 3.960 -1.420 0.000 0.260 608 G HA3 -0.281 2.827 3.960 -1.420 0.000 0.260 608 G C -0.180 174.706 174.900 -0.023 0.000 0.977 608 G CA 0.180 45.267 45.100 -0.023 0.000 0.641 608 G HN 0.890 nan 8.290 nan 0.000 0.533 609 A N -1.149 121.656 122.820 -0.025 0.000 2.564 609 A HA 0.747 4.215 4.320 -1.420 0.000 0.288 609 A C 0.309 177.877 177.584 -0.026 0.000 1.164 609 A CA 0.382 52.407 52.037 -0.020 0.000 0.712 609 A CB 0.705 19.701 19.000 -0.007 0.000 1.303 609 A HN -0.040 nan 8.150 nan 0.000 0.418 610 D N 0.312 120.702 120.400 -0.018 0.000 2.350 610 D HA 0.086 3.874 4.640 -1.420 0.000 0.213 610 D C 0.208 176.514 176.300 0.010 0.000 1.031 610 D CA 0.862 54.853 54.000 -0.014 0.000 0.861 610 D CB 0.073 40.866 40.800 -0.011 0.000 0.926 610 D HN 0.498 nan 8.370 nan 0.000 0.520 611 T N 0.816 115.377 114.554 0.011 0.000 2.928 611 T HA 0.325 3.823 4.350 -1.420 0.000 0.305 611 T C 0.871 175.583 174.700 0.019 0.000 1.035 611 T CA -0.181 61.930 62.100 0.020 0.000 1.145 611 T CB 1.265 70.143 68.868 0.018 0.000 0.963 611 T HN 0.021 nan 8.240 nan 0.000 0.545 612 G N 1.912 110.725 108.800 0.022 0.000 2.441 612 G HA2 0.367 3.475 3.960 -1.420 0.000 0.243 612 G HA3 0.367 3.475 3.960 -1.420 0.000 0.243 612 G C 0.247 175.129 174.900 -0.030 0.000 1.281 612 G CA -0.500 44.601 45.100 0.002 0.000 0.854 612 G HN 0.703 nan 8.290 nan 0.000 0.560 613 S N 0.393 116.053 115.700 -0.067 0.000 2.669 613 S HA 0.541 4.159 4.470 -1.420 0.000 0.270 613 S C 0.170 174.670 174.600 -0.166 0.000 1.225 613 S CA -0.453 57.696 58.200 -0.085 0.000 0.991 613 S CB 0.681 63.833 63.200 -0.080 0.000 0.987 613 S HN 0.530 nan 8.310 nan 0.000 0.552 614 K N 1.023 121.363 120.400 -0.100 0.000 2.385 614 K HA 0.421 3.889 4.320 -1.420 0.000 0.248 614 K C -0.382 176.218 176.600 -0.000 0.000 0.955 614 K CA -0.902 55.351 56.287 -0.057 0.000 0.816 614 K CB 1.369 33.929 32.500 0.099 0.000 1.250 614 K HN 0.693 nan 8.250 nan 0.000 0.434 615 K N 0.842 121.321 120.400 0.132 0.000 3.130 615 K HA -0.256 3.212 4.320 -1.420 0.000 0.282 615 K C -0.735 175.870 176.600 0.007 0.000 1.145 615 K CA 1.110 57.488 56.287 0.153 0.000 0.831 615 K CB -0.848 31.721 32.500 0.114 0.000 1.226 615 K HN 0.532 nan 8.250 nan 0.000 0.478 616 R N 0.108 120.580 120.500 -0.047 0.000 2.510 616 R HA 0.413 3.901 4.340 -1.420 0.000 0.294 616 R C -1.083 175.149 176.300 -0.112 0.000 1.056 616 R CA -0.855 55.160 56.100 -0.142 0.000 0.918 616 R CB 1.162 31.391 30.300 -0.117 0.000 1.187 616 R HN 0.223 nan 8.270 nan 0.000 0.437 617 Y N -0.619 119.562 120.300 -0.198 0.000 2.741 617 Y HA 0.822 4.519 4.550 -1.421 0.000 0.339 617 Y C -1.861 173.845 175.900 -0.325 0.000 1.226 617 Y CA -1.341 56.549 58.100 -0.350 0.000 1.072 617 Y CB 1.065 39.255 38.460 -0.451 0.000 1.331 617 Y HN 0.576 nan 8.280 nan 0.000 0.453 618 A N 0.447 123.068 122.820 -0.332 0.000 2.587 618 A HA 0.994 4.462 4.320 -1.420 0.000 0.293 618 A C -0.687 176.569 177.584 -0.547 0.000 1.087 618 A CA -0.409 51.367 52.037 -0.436 0.000 0.692 618 A CB 1.497 20.257 19.000 -0.399 0.000 1.291 618 A HN 1.988 nan 8.150 nan 0.000 0.407 619 G N -0.852 107.563 108.800 -0.640 0.000 2.660 619 G HA2 0.640 3.748 3.960 -1.420 0.000 0.290 619 G HA3 0.640 3.748 3.960 -1.420 0.000 0.290 619 G C -2.206 172.333 174.900 -0.602 0.000 1.432 619 G CA -0.514 44.044 45.100 -0.904 0.000 0.807 619 G HN 1.374 nan 8.290 nan 0.000 0.485 620 L N 0.396 121.270 121.223 -0.582 0.000 2.341 620 L HA 0.791 4.279 4.340 -1.420 0.000 0.278 620 L C -0.737 176.116 176.870 -0.029 0.000 1.005 620 L CA -0.778 53.878 54.840 -0.306 0.000 0.818 620 L CB 1.383 43.147 42.059 -0.491 0.000 1.259 620 L HN 0.439 nan 8.230 nan 0.000 0.418 621 I N 3.897 124.469 120.570 0.004 0.000 2.433 621 I HA 0.374 3.692 4.170 -1.420 0.000 0.292 621 I C -0.676 175.404 176.117 -0.061 0.000 1.001 621 I CA -0.764 60.499 61.300 -0.061 0.000 1.119 621 I CB 1.919 39.868 38.000 -0.085 0.000 1.289 621 I HN 0.580 nan 8.210 nan 0.000 0.438 622 Q N 6.329 126.084 119.800 -0.074 0.000 2.331 622 Q HA 0.272 3.760 4.340 -1.420 0.000 0.257 622 Q C -1.179 174.809 176.000 -0.019 0.000 0.957 622 Q CA -0.128 55.657 55.803 -0.029 0.000 0.923 622 Q CB 0.871 29.603 28.738 -0.009 0.000 1.212 622 Q HN 0.484 nan 8.270 nan 0.000 0.443 623 E N 3.822 124.014 120.200 -0.014 0.000 2.149 623 E HA 0.463 3.961 4.350 -1.420 0.000 0.255 623 E C 0.310 176.909 176.600 -0.002 0.000 0.888 623 E CA -0.260 56.132 56.400 -0.013 0.000 0.742 623 E CB 0.999 30.686 29.700 -0.023 0.000 1.164 623 E HN 0.954 nan 8.360 nan 0.000 0.422 624 G N 4.563 113.366 108.800 0.005 0.000 2.591 624 G HA2 -0.415 2.693 3.960 -1.420 0.000 0.298 624 G HA3 -0.415 2.693 3.960 -1.420 0.000 0.298 624 G C 0.378 175.284 174.900 0.011 0.000 1.195 624 G CA 0.710 45.815 45.100 0.008 0.000 0.989 624 G HN 0.603 nan 8.290 nan 0.000 0.551 625 D N 1.326 121.733 120.400 0.010 0.000 2.350 625 D HA 0.225 4.013 4.640 -1.420 0.000 0.213 625 D C 0.977 177.285 176.300 0.013 0.000 1.031 625 D CA 0.413 54.420 54.000 0.013 0.000 0.861 625 D CB 0.262 41.069 40.800 0.013 0.000 0.926 625 D HN 0.162 nan 8.370 nan 0.000 0.520 626 K N 0.942 121.348 120.400 0.010 0.000 2.095 626 K HA 0.429 3.897 4.320 -1.420 0.000 0.252 626 K C -0.130 176.476 176.600 0.010 0.000 0.977 626 K CA -0.333 55.961 56.287 0.012 0.000 0.900 626 K CB 1.530 34.036 32.500 0.010 0.000 1.060 626 K HN 0.056 nan 8.250 nan 0.000 0.449 627 Q N 1.113 120.923 119.800 0.016 0.000 2.377 627 Q HA 0.473 3.961 4.340 -1.420 0.000 0.271 627 Q C -0.637 175.378 176.000 0.025 0.000 1.077 627 Q CA -0.914 54.898 55.803 0.014 0.000 0.820 627 Q CB 3.073 31.824 28.738 0.021 0.000 1.347 627 Q HN 0.548 nan 8.270 nan 0.000 0.444 628 R N 1.278 121.792 120.500 0.024 0.000 2.626 628 R HA 0.590 4.078 4.340 -1.420 0.000 0.274 628 R C -1.304 175.031 176.300 0.058 0.000 1.031 628 R CA -0.717 55.410 56.100 0.046 0.000 0.898 628 R CB 1.499 31.820 30.300 0.035 0.000 1.222 628 R HN 0.490 nan 8.270 nan 0.000 0.455 629 M N 2.544 122.200 119.600 0.093 0.000 2.367 629 M HA 0.403 4.031 4.480 -1.420 0.000 0.339 629 M C -0.811 175.525 176.300 0.060 0.000 1.177 629 M CA -1.064 54.278 55.300 0.069 0.000 1.068 629 M CB 2.154 34.856 32.600 0.171 0.000 1.602 629 M HN 0.394 nan 8.290 nan 0.000 0.457 630 V N 3.246 123.125 119.914 -0.059 0.000 2.540 630 V HA 0.526 3.794 4.120 -1.420 0.000 0.302 630 V C -1.181 174.737 176.094 -0.293 0.000 1.035 630 V CA -0.520 61.788 62.300 0.013 0.000 0.873 630 V CB 1.810 33.795 31.823 0.272 0.000 0.992 630 V HN 0.605 nan 8.190 nan 0.000 0.428 631 F N 4.038 123.958 119.950 -0.051 0.000 2.507 631 F HA 0.663 4.338 4.527 -1.420 0.000 0.325 631 F C 0.226 175.876 175.800 -0.250 0.000 1.116 631 F CA -0.761 57.133 58.000 -0.177 0.000 0.930 631 F CB 2.093 40.969 39.000 -0.206 0.000 1.146 631 F HN 0.148 nan 8.300 nan 0.000 0.447 632 K N 1.529 121.743 120.400 -0.309 0.000 2.376 632 K HA 0.525 3.993 4.320 -1.420 0.000 0.257 632 K C 0.673 177.072 176.600 -0.334 0.000 0.939 632 K CA -0.081 55.962 56.287 -0.406 0.000 0.809 632 K CB 1.531 33.520 32.500 -0.852 0.000 1.121 632 K HN 0.783 nan 8.250 nan 0.000 0.425 633 G N 2.109 110.798 108.800 -0.184 0.000 2.353 633 G HA2 -0.319 2.789 3.960 -1.420 0.000 0.258 633 G HA3 -0.319 2.789 3.960 -1.420 0.000 0.258 633 G C 0.380 175.176 174.900 -0.173 0.000 1.013 633 G CA 0.506 45.520 45.100 -0.143 0.000 0.622 633 G HN 0.456 nan 8.290 nan 0.000 0.535 634 L N 0.243 121.346 121.223 -0.200 0.000 2.474 634 L HA 0.344 3.832 4.340 -1.420 0.000 0.259 634 L C 2.007 178.628 176.870 -0.415 0.000 1.232 634 L CA -0.097 54.575 54.840 -0.281 0.000 0.821 634 L CB 0.234 42.171 42.059 -0.203 0.000 1.108 634 L HN 0.128 nan 8.230 nan 0.000 0.495 635 E N -0.020 119.792 120.200 -0.647 0.000 2.147 635 E HA -0.199 3.299 4.350 -1.420 0.000 0.199 635 E C 1.816 178.114 176.600 -0.503 0.000 1.005 635 E CA 1.911 57.791 56.400 -0.866 0.000 0.810 635 E CB -0.329 28.640 29.700 -1.217 0.000 0.736 635 E HN 0.719 nan 8.360 nan 0.000 0.460 636 T N -0.116 114.110 114.554 -0.546 0.000 2.803 636 T HA -0.113 3.385 4.350 -1.420 0.000 0.269 636 T C 1.571 176.075 174.700 -0.326 0.000 1.052 636 T CA 1.407 63.191 62.100 -0.526 0.000 1.136 636 T CB -0.126 68.137 68.868 -1.009 0.000 0.864 636 T HN 0.240 nan 8.240 nan 0.000 0.467 637 V N -1.192 118.566 119.914 -0.260 0.000 3.043 637 V HA 0.480 3.748 4.120 -1.420 0.000 0.357 637 V C 0.172 176.222 176.094 -0.074 0.000 1.372 637 V CA -0.705 61.517 62.300 -0.131 0.000 1.214 637 V CB -0.647 31.125 31.823 -0.084 0.000 1.224 637 V HN 0.132 nan 8.190 nan 0.000 0.507 638 R N 0.873 121.334 120.500 -0.065 0.000 2.393 638 R HA 0.412 3.900 4.340 -1.420 0.000 0.315 638 R C 1.392 177.769 176.300 0.129 0.000 0.952 638 R CA 0.352 56.479 56.100 0.045 0.000 0.842 638 R CB 1.858 32.202 30.300 0.072 0.000 1.163 638 R HN 0.527 nan 8.270 nan 0.000 0.450 639 T N -2.276 112.350 114.554 0.119 0.000 3.051 639 T HA -0.132 3.366 4.350 -1.420 0.000 0.269 639 T C 0.940 175.735 174.700 0.158 0.000 1.127 639 T CA 1.138 63.311 62.100 0.121 0.000 1.107 639 T CB -0.137 68.794 68.868 0.105 0.000 0.898 639 T HN 0.591 nan 8.240 nan 0.000 0.517 640 D N -1.295 119.236 120.400 0.218 0.000 2.325 640 D HA 0.100 3.888 4.640 -1.420 0.000 0.225 640 D C -0.317 176.095 176.300 0.186 0.000 1.096 640 D CA -0.616 53.498 54.000 0.191 0.000 0.844 640 D CB -0.407 40.471 40.800 0.130 0.000 0.925 640 D HN 0.501 nan 8.370 nan 0.000 0.513 641 W N 1.347 122.690 121.300 0.072 0.000 2.578 641 W HA 0.414 4.222 4.660 -1.420 0.000 0.353 641 W C 0.653 177.139 176.519 -0.055 0.000 1.088 641 W CA -0.822 56.552 57.345 0.048 0.000 1.235 641 W CB 1.193 30.651 29.460 -0.004 0.000 1.362 641 W HN -0.226 nan 8.180 nan 0.000 0.592 642 T N -0.596 113.959 114.554 0.001 0.000 2.899 642 T HA 0.175 3.673 4.350 -1.420 0.000 0.295 642 T C -1.968 172.728 174.700 -0.006 0.000 1.033 642 T CA -1.233 60.787 62.100 -0.134 0.000 1.084 642 T CB 1.385 70.098 68.868 -0.258 0.000 0.979 642 T HN 0.110 nan 8.240 nan 0.000 0.532 643 P HA -0.042 nan 4.420 nan 0.000 0.218 643 P C 1.688 178.985 177.300 -0.004 0.000 1.148 643 P CA 0.275 63.363 63.100 -0.019 0.000 0.822 643 P CB -0.053 31.627 31.700 -0.034 0.000 0.784 644 L N -0.211 120.999 121.223 -0.023 0.000 1.989 644 L HA -0.183 3.305 4.340 -1.420 0.000 0.211 644 L C 2.188 179.102 176.870 0.073 0.000 1.071 644 L CA 2.403 57.238 54.840 -0.008 0.000 0.749 644 L CB -1.402 40.619 42.059 -0.063 0.000 0.890 644 L HN -0.102 nan 8.230 nan 0.000 0.431 645 A N -1.139 121.750 122.820 0.115 0.000 1.898 645 A HA -0.216 3.252 4.320 -1.420 0.000 0.216 645 A C 2.168 179.817 177.584 0.108 0.000 1.181 645 A CA 1.685 53.845 52.037 0.205 0.000 0.620 645 A CB -0.598 18.631 19.000 0.380 0.000 0.819 645 A HN 0.696 nan 8.150 nan 0.000 0.442 646 Q N -0.935 118.884 119.800 0.031 0.000 2.050 646 Q HA -0.251 3.237 4.340 -1.420 0.000 0.202 646 Q C 2.333 178.264 176.000 -0.115 0.000 0.980 646 Q CA 1.699 57.437 55.803 -0.109 0.000 0.840 646 Q CB -0.223 28.460 28.738 -0.092 0.000 0.898 646 Q HN 0.846 nan 8.270 nan 0.000 0.424 647 Q N 0.030 119.826 119.800 -0.006 0.000 2.079 647 Q HA -0.186 3.302 4.340 -1.420 0.000 0.200 647 Q C 1.894 177.971 176.000 0.128 0.000 0.974 647 Q CA 1.097 56.921 55.803 0.035 0.000 0.840 647 Q CB -0.091 28.690 28.738 0.072 0.000 0.898 647 Q HN 0.314 nan 8.270 nan 0.000 0.430 648 F N 1.465 121.431 119.950 0.027 0.000 2.095 648 F HA -0.232 3.443 4.527 -1.420 0.000 0.298 648 F C 2.327 178.165 175.800 0.062 0.000 1.104 648 F CA 2.163 60.233 58.000 0.117 0.000 1.232 648 F CB -0.496 38.542 39.000 0.063 0.000 0.987 648 F HN 0.179 nan 8.300 nan 0.000 0.475 649 Q N -0.101 119.601 119.800 -0.162 0.000 2.050 649 Q HA -0.257 3.231 4.340 -1.420 0.000 0.202 649 Q C 2.251 178.009 176.000 -0.404 0.000 0.980 649 Q CA 2.107 57.656 55.803 -0.424 0.000 0.840 649 Q CB -0.215 28.178 28.738 -0.575 0.000 0.898 649 Q HN 0.596 nan 8.270 nan 0.000 0.424 650 Q N 0.011 119.597 119.800 -0.355 0.000 2.050 650 Q HA -0.192 3.296 4.340 -1.420 0.000 0.202 650 Q C 1.969 177.939 176.000 -0.049 0.000 0.980 650 Q CA 1.702 57.391 55.803 -0.189 0.000 0.840 650 Q CB 0.002 28.624 28.738 -0.192 0.000 0.898 650 Q HN 0.485 nan 8.270 nan 0.000 0.424 651 E N 0.381 120.527 120.200 -0.090 0.000 2.106 651 E HA -0.173 3.325 4.350 -1.420 0.000 0.192 651 E C 1.971 178.409 176.600 -0.270 0.000 0.984 651 E CA 0.669 56.956 56.400 -0.187 0.000 0.806 651 E CB -0.049 29.500 29.700 -0.251 0.000 0.750 651 E HN 0.158 nan 8.360 nan 0.000 0.458 652 L N 0.152 121.247 121.223 -0.214 0.000 2.027 652 L HA -0.161 3.327 4.340 -1.420 0.000 0.206 652 L C 1.991 178.761 176.870 -0.167 0.000 1.074 652 L CA 1.705 56.426 54.840 -0.199 0.000 0.745 652 L CB -0.568 41.277 42.059 -0.356 0.000 0.898 652 L HN 0.130 nan 8.230 nan 0.000 0.433 653 Y N -1.577 118.499 120.300 -0.374 0.000 2.181 653 Y HA -0.274 3.424 4.550 -1.420 0.000 0.288 653 Y C 2.409 177.982 175.900 -0.545 0.000 1.146 653 Y CA 0.957 58.704 58.100 -0.588 0.000 1.164 653 Y CB -0.102 38.075 38.460 -0.470 0.000 0.982 653 Y HN 0.261 nan 8.280 nan 0.000 0.515 654 L N 0.578 121.786 121.223 -0.025 0.000 2.046 654 L HA -0.212 3.276 4.340 -1.420 0.000 0.208 654 L C 2.237 179.124 176.870 0.029 0.000 1.077 654 L CA 1.698 56.588 54.840 0.083 0.000 0.747 654 L CB -0.541 41.563 42.059 0.074 0.000 0.896 654 L HN 0.041 nan 8.230 nan 0.000 0.432 655 R N -0.702 119.765 120.500 -0.055 0.000 2.073 655 R HA -0.114 3.374 4.340 -1.420 0.000 0.234 655 R C 2.321 178.622 176.300 0.002 0.000 1.134 655 R CA 1.945 58.034 56.100 -0.019 0.000 0.952 655 R CB -0.470 29.817 30.300 -0.022 0.000 0.850 655 R HN 0.378 nan 8.270 nan 0.000 0.433 656 I N -0.023 120.476 120.570 -0.118 0.000 2.226 656 I HA -0.268 3.050 4.170 -1.420 0.000 0.245 656 I C 1.761 177.862 176.117 -0.026 0.000 1.100 656 I CA 1.081 62.287 61.300 -0.157 0.000 1.374 656 I CB -0.192 37.551 38.000 -0.428 0.000 1.057 656 I HN 0.068 nan 8.210 nan 0.000 0.413 657 F N 1.105 121.001 119.950 -0.089 0.000 2.216 657 F HA -0.130 3.545 4.527 -1.420 0.000 0.300 657 F C 2.336 178.121 175.800 -0.024 0.000 1.085 657 F CA 1.268 59.227 58.000 -0.068 0.000 1.326 657 F CB -0.713 38.253 39.000 -0.057 0.000 1.027 657 F HN -0.010 nan 8.300 nan 0.000 0.497 658 R N 0.123 120.733 120.500 0.184 0.000 2.334 658 R HA 0.063 3.551 4.340 -1.420 0.000 0.220 658 R C 0.180 176.532 176.300 0.087 0.000 0.917 658 R CA 0.131 56.299 56.100 0.113 0.000 1.073 658 R CB -0.288 30.064 30.300 0.088 0.000 1.056 658 R HN 0.181 nan 8.270 nan 0.000 0.506 659 N N 1.407 120.162 118.700 0.092 0.000 2.741 659 N HA -0.184 3.704 4.740 -1.420 0.000 0.250 659 N C -0.871 174.689 175.510 0.084 0.000 1.115 659 N CA 1.182 54.282 53.050 0.084 0.000 0.724 659 N CB -0.758 37.772 38.487 0.071 0.000 1.090 659 N HN 0.504 nan 8.380 nan 0.000 0.558 660 E N 0.436 120.688 120.200 0.088 0.000 2.314 660 E HA 0.385 3.883 4.350 -1.420 0.000 0.262 660 E C -2.238 174.427 176.600 0.109 0.000 1.093 660 E CA -1.552 54.894 56.400 0.076 0.000 0.908 660 E CB 0.512 30.244 29.700 0.054 0.000 1.091 660 E HN 0.013 nan 8.360 nan 0.000 0.425 661 P HA -0.028 nan 4.420 nan 0.000 0.271 661 P C -0.824 176.493 177.300 0.029 0.000 1.218 661 P CA 0.449 63.529 63.100 -0.034 0.000 0.780 661 P CB 0.171 31.841 31.700 -0.050 0.000 0.901 662 Y N -0.843 119.491 120.300 0.056 0.000 2.515 662 Y HA 0.289 3.987 4.550 -1.420 0.000 0.267 662 Y C 1.652 177.653 175.900 0.168 0.000 1.058 662 Y CA -0.130 58.036 58.100 0.111 0.000 1.231 662 Y CB -0.696 37.805 38.460 0.069 0.000 1.350 662 Y HN 0.126 nan 8.280 nan 0.000 0.554 663 Q N 1.203 120.726 119.800 -0.461 0.000 2.030 663 Q HA -0.225 3.263 4.340 -1.420 0.000 0.204 663 Q C 1.726 177.737 176.000 0.019 0.000 0.986 663 Q CA 2.211 57.919 55.803 -0.158 0.000 0.843 663 Q CB -0.078 28.503 28.738 -0.262 0.000 0.904 663 Q HN 0.439 nan 8.270 nan 0.000 0.420 664 E N 0.276 120.480 120.200 0.006 0.000 2.110 664 E HA -0.209 3.289 4.350 -1.420 0.000 0.193 664 E C 1.618 178.281 176.600 0.104 0.000 0.988 664 E CA 1.104 57.528 56.400 0.039 0.000 0.804 664 E CB -0.330 29.387 29.700 0.030 0.000 0.745 664 E HN 0.442 nan 8.360 nan 0.000 0.458 665 Y N -0.198 120.147 120.300 0.076 0.000 2.181 665 Y HA -0.178 3.520 4.550 -1.420 0.000 0.288 665 Y C 1.951 177.973 175.900 0.203 0.000 1.146 665 Y CA 1.643 59.821 58.100 0.129 0.000 1.164 665 Y CB -0.336 38.213 38.460 0.149 0.000 0.982 665 Y HN -0.051 nan 8.280 nan 0.000 0.515 666 V N 1.062 121.081 119.914 0.176 0.000 2.307 666 V HA -0.287 2.981 4.120 -1.420 0.000 0.245 666 V C 2.438 178.543 176.094 0.018 0.000 1.045 666 V CA 2.295 64.719 62.300 0.207 0.000 1.024 666 V CB -0.601 31.476 31.823 0.423 0.000 0.651 666 V HN 0.346 nan 8.190 nan 0.000 0.449 667 R N -0.096 120.406 120.500 0.003 0.000 2.081 667 R HA -0.224 3.264 4.340 -1.420 0.000 0.235 667 R C 2.340 178.588 176.300 -0.087 0.000 1.131 667 R CA 1.800 57.868 56.100 -0.055 0.000 0.960 667 R CB -0.302 29.971 30.300 -0.046 0.000 0.856 667 R HN 0.521 nan 8.270 nan 0.000 0.436 668 E N 0.082 120.228 120.200 -0.090 0.000 2.106 668 E HA -0.117 3.381 4.350 -1.420 0.000 0.192 668 E C 1.634 178.136 176.600 -0.163 0.000 0.984 668 E CA 1.624 57.962 56.400 -0.103 0.000 0.806 668 E CB 0.035 29.696 29.700 -0.064 0.000 0.750 668 E HN 0.145 nan 8.360 nan 0.000 0.458 669 T N 0.456 114.854 114.554 -0.259 0.000 2.737 669 T HA -0.085 3.413 4.350 -1.420 0.000 0.265 669 T C 1.839 176.389 174.700 -0.249 0.000 1.038 669 T CA 1.386 63.301 62.100 -0.308 0.000 1.144 669 T CB -0.232 68.352 68.868 -0.474 0.000 0.866 669 T HN 0.156 nan 8.240 nan 0.000 0.434 670 I N 1.080 121.525 120.570 -0.208 0.000 2.179 670 I HA -0.188 3.130 4.170 -1.420 0.000 0.242 670 I C 2.479 178.513 176.117 -0.139 0.000 1.088 670 I CA 1.373 62.582 61.300 -0.152 0.000 1.357 670 I CB -0.365 37.573 38.000 -0.103 0.000 1.051 670 I HN 0.174 nan 8.210 nan 0.000 0.409 671 D N 1.036 121.358 120.400 -0.129 0.000 2.097 671 D HA -0.179 3.609 4.640 -1.420 0.000 0.195 671 D C 2.191 178.406 176.300 -0.142 0.000 0.989 671 D CA 1.433 55.363 54.000 -0.117 0.000 0.827 671 D CB 0.066 40.810 40.800 -0.093 0.000 0.966 671 D HN 0.162 nan 8.370 nan 0.000 0.456 672 K N -0.413 119.899 120.400 -0.147 0.000 2.057 672 K HA -0.126 3.342 4.320 -1.420 0.000 0.207 672 K C 2.070 178.537 176.600 -0.222 0.000 1.049 672 K CA 0.702 56.895 56.287 -0.157 0.000 0.931 672 K CB -0.215 32.206 32.500 -0.132 0.000 0.714 672 K HN 0.146 nan 8.250 nan 0.000 0.440 673 L N 0.861 121.944 121.223 -0.234 0.000 2.017 673 L HA -0.148 3.340 4.340 -1.420 0.000 0.208 673 L C 1.950 178.519 176.870 -0.501 0.000 1.073 673 L CA 1.756 56.416 54.840 -0.300 0.000 0.745 673 L CB -0.282 41.658 42.059 -0.197 0.000 0.894 673 L HN 0.122 nan 8.230 nan 0.000 0.432 674 M N -0.467 118.932 119.600 -0.335 0.000 2.476 674 M HA 0.071 3.699 4.480 -1.420 0.000 0.262 674 M C 1.961 178.043 176.300 -0.362 0.000 1.079 674 M CA 1.163 56.269 55.300 -0.322 0.000 1.104 674 M CB -1.633 30.894 32.600 -0.121 0.000 1.409 674 M HN 0.475 nan 8.290 nan 0.000 0.467 675 A N -0.470 122.156 122.820 -0.324 0.000 2.307 675 A HA 0.490 3.958 4.320 -1.420 0.000 0.218 675 A C 1.534 178.956 177.584 -0.269 0.000 1.228 675 A CA 0.535 52.437 52.037 -0.225 0.000 0.857 675 A CB -0.730 18.183 19.000 -0.145 0.000 0.897 675 A HN 0.594 nan 8.150 nan 0.000 0.495 676 G N -0.110 108.368 108.800 -0.535 0.000 2.221 676 G HA2 -0.274 2.834 3.960 -1.420 0.000 0.265 676 G HA3 -0.274 2.834 3.960 -1.420 0.000 0.265 676 G C 0.316 175.111 174.900 -0.175 0.000 1.041 676 G CA 0.686 45.549 45.100 -0.396 0.000 0.807 676 G HN 0.641 nan 8.290 nan 0.000 0.502 677 E N -1.040 119.043 120.200 -0.195 0.000 2.472 677 E HA 0.285 3.783 4.350 -1.420 0.000 0.196 677 E C 1.756 178.295 176.600 -0.102 0.000 1.033 677 E CA 0.002 56.333 56.400 -0.115 0.000 0.886 677 E CB 0.258 29.896 29.700 -0.104 0.000 0.944 677 E HN 0.573 nan 8.360 nan 0.000 0.492 678 L N 0.861 122.003 121.223 -0.134 0.000 3.110 678 L HA 0.173 3.661 4.340 -1.420 0.000 0.266 678 L C 0.449 177.259 176.870 -0.100 0.000 1.257 678 L CA -0.275 54.498 54.840 -0.112 0.000 1.038 678 L CB 0.412 42.389 42.059 -0.137 0.000 1.395 678 L HN -0.077 nan 8.230 nan 0.000 0.566 679 D N 1.729 122.096 120.400 -0.055 0.000 2.190 679 D HA -0.195 3.593 4.640 -1.420 0.000 0.200 679 D C 2.201 178.458 176.300 -0.072 0.000 0.992 679 D CA 1.485 55.465 54.000 -0.032 0.000 0.854 679 D CB 0.236 41.053 40.800 0.028 0.000 0.936 679 D HN 0.378 nan 8.370 nan 0.000 0.462 680 A N 0.431 123.217 122.820 -0.057 0.000 2.125 680 A HA -0.136 3.332 4.320 -1.420 0.000 0.219 680 A C 1.866 179.407 177.584 -0.071 0.000 1.156 680 A CA 0.904 52.910 52.037 -0.052 0.000 0.671 680 A CB -0.259 18.720 19.000 -0.034 0.000 0.794 680 A HN 0.168 nan 8.150 nan 0.000 0.459 681 R N -0.611 119.829 120.500 -0.100 0.000 2.334 681 R HA 0.293 3.781 4.340 -1.420 0.000 0.216 681 R C 0.401 176.594 176.300 -0.180 0.000 0.905 681 R CA -0.015 56.019 56.100 -0.111 0.000 1.064 681 R CB 0.006 30.250 30.300 -0.093 0.000 1.046 681 R HN 0.438 nan 8.270 nan 0.000 0.508 682 L N 1.010 122.086 121.223 -0.244 0.000 2.653 682 L HA 0.199 3.687 4.340 -1.420 0.000 0.231 682 L C 0.031 176.770 176.870 -0.217 0.000 1.153 682 L CA -0.112 54.489 54.840 -0.398 0.000 0.933 682 L CB 0.384 41.995 42.059 -0.746 0.000 1.175 682 L HN -0.126 nan 8.230 nan 0.000 0.473 683 V N -0.359 119.451 119.914 -0.173 0.000 2.498 683 V HA 0.138 3.406 4.120 -1.420 0.000 0.279 683 V C -0.250 175.699 176.094 -0.242 0.000 1.048 683 V CA -0.425 61.792 62.300 -0.138 0.000 0.967 683 V CB 0.548 32.330 31.823 -0.068 0.000 0.988 683 V HN 0.028 nan 8.190 nan 0.000 0.473 684 Y N 3.926 124.055 120.300 -0.286 0.000 2.334 684 Y HA 0.625 4.323 4.550 -1.420 0.000 0.328 684 Y C 0.519 176.209 175.900 -0.350 0.000 1.130 684 Y CA -0.397 57.428 58.100 -0.459 0.000 1.163 684 Y CB 1.233 39.016 38.460 -1.129 0.000 1.207 684 Y HN 0.541 nan 8.280 nan 0.000 0.471 685 R N 3.510 124.035 120.500 0.042 0.000 2.532 685 R HA 0.548 4.036 4.340 -1.420 0.000 0.297 685 R C -1.714 174.687 176.300 0.168 0.000 0.984 685 R CA -0.765 55.406 56.100 0.118 0.000 0.884 685 R CB 1.117 31.473 30.300 0.093 0.000 1.182 685 R HN 0.788 nan 8.270 nan 0.000 0.442 686 K N 2.880 123.413 120.400 0.223 0.000 2.527 686 K HA 0.400 3.868 4.320 -1.420 0.000 0.260 686 K C -1.047 175.664 176.600 0.185 0.000 0.937 686 K CA -0.863 55.512 56.287 0.147 0.000 0.826 686 K CB 1.788 34.300 32.500 0.019 0.000 1.359 686 K HN 0.539 nan 8.250 nan 0.000 0.434 687 R N 2.438 123.027 120.500 0.149 0.000 2.441 687 R HA 0.295 3.783 4.340 -1.420 0.000 0.284 687 R C -0.431 176.051 176.300 0.303 0.000 1.070 687 R CA -0.448 55.774 56.100 0.203 0.000 1.047 687 R CB 0.454 30.851 30.300 0.163 0.000 1.016 687 R HN 0.382 nan 8.270 nan 0.000 0.477 688 L N 4.194 125.594 121.223 0.295 0.000 2.270 688 L HA 0.313 3.801 4.340 -1.420 0.000 0.286 688 L C 1.355 178.398 176.870 0.288 0.000 1.059 688 L CA -0.119 54.912 54.840 0.319 0.000 0.839 688 L CB 0.895 43.090 42.059 0.226 0.000 1.221 688 L HN 0.488 nan 8.230 nan 0.000 0.431 689 R N 2.078 122.763 120.500 0.309 0.000 2.299 689 R HA 0.128 3.616 4.340 -1.420 0.000 0.197 689 R C 0.034 176.392 176.300 0.097 0.000 0.971 689 R CA 0.375 56.584 56.100 0.180 0.000 1.030 689 R CB 0.130 30.524 30.300 0.157 0.000 0.932 689 R HN 0.545 nan 8.270 nan 0.000 0.477 690 R N 0.568 121.118 120.500 0.084 0.000 2.807 690 R HA 0.380 3.868 4.340 -1.420 0.000 0.276 690 R C -2.797 173.478 176.300 -0.042 0.000 0.979 690 R CA -2.445 53.570 56.100 -0.142 0.000 0.928 690 R CB 1.060 30.991 30.300 -0.615 0.000 1.191 690 R HN -0.216 nan 8.270 nan 0.000 0.471 691 P HA -0.029 nan 4.420 nan 0.000 0.267 691 P C 0.625 177.955 177.300 0.051 0.000 1.200 691 P CA 0.021 63.132 63.100 0.018 0.000 0.772 691 P CB 0.616 32.307 31.700 -0.015 0.000 0.855 692 L N 2.935 124.248 121.223 0.149 0.000 2.081 692 L HA -0.257 3.231 4.340 -1.420 0.000 0.212 692 L C 1.985 178.966 176.870 0.185 0.000 1.080 692 L CA 2.252 57.231 54.840 0.232 0.000 0.754 692 L CB -0.483 41.664 42.059 0.147 0.000 0.893 692 L HN 0.419 nan 8.230 nan 0.000 0.433 693 S N -1.583 114.162 115.700 0.075 0.000 2.481 693 S HA -0.127 3.491 4.470 -1.420 0.000 0.231 693 S C 1.512 176.117 174.600 0.007 0.000 0.996 693 S CA 0.774 58.999 58.200 0.042 0.000 0.942 693 S CB -0.403 62.806 63.200 0.016 0.000 0.768 693 S HN 0.575 nan 8.310 nan 0.000 0.520 694 E N 0.186 120.345 120.200 -0.068 0.000 2.478 694 E HA -0.011 3.487 4.350 -1.420 0.000 0.198 694 E C -0.692 175.778 176.600 -0.216 0.000 1.046 694 E CA 0.247 56.547 56.400 -0.166 0.000 0.870 694 E CB -0.143 29.412 29.700 -0.241 0.000 0.818 694 E HN 0.691 nan 8.360 nan 0.000 0.527 695 Y N 1.644 121.929 120.300 -0.026 0.000 2.539 695 Y HA 0.062 3.760 4.550 -1.420 0.000 0.352 695 Y C 1.456 177.338 175.900 -0.030 0.000 1.004 695 Y CA 0.111 58.192 58.100 -0.032 0.000 1.278 695 Y CB 0.476 38.901 38.460 -0.059 0.000 1.136 695 Y HN -0.031 nan 8.280 nan 0.000 0.528 696 Q N 1.618 121.467 119.800 0.082 0.000 2.404 696 Q HA 0.125 3.613 4.340 -1.420 0.000 0.262 696 Q C 1.674 177.699 176.000 0.042 0.000 0.846 696 Q CA -0.021 55.811 55.803 0.047 0.000 0.978 696 Q CB 0.317 29.064 28.738 0.016 0.000 1.156 696 Q HN 0.643 nan 8.270 nan 0.000 0.548 697 R N 1.674 122.203 120.500 0.047 0.000 2.152 697 R HA -0.079 3.409 4.340 -1.420 0.000 0.232 697 R C 0.491 176.814 176.300 0.039 0.000 1.117 697 R CA 1.549 57.672 56.100 0.039 0.000 0.981 697 R CB -0.034 30.290 30.300 0.040 0.000 0.870 697 R HN 0.344 nan 8.270 nan 0.000 0.451 698 N N -2.686 116.044 118.700 0.051 0.000 3.339 698 N HA 0.072 3.960 4.740 -1.420 0.000 0.275 698 N C -1.661 173.856 175.510 0.013 0.000 1.514 698 N CA -0.835 52.232 53.050 0.028 0.000 0.879 698 N CB 1.184 39.690 38.487 0.031 0.000 1.557 698 N HN -0.229 nan 8.380 nan 0.000 0.524 699 V N 0.511 120.406 119.914 -0.031 0.000 2.357 699 V HA 0.511 3.779 4.120 -1.420 0.000 0.281 699 V C -2.345 173.672 176.094 -0.128 0.000 1.015 699 V CA -1.022 61.217 62.300 -0.101 0.000 0.827 699 V CB 0.827 32.582 31.823 -0.114 0.000 1.018 699 V HN 0.646 nan 8.190 nan 0.000 0.432 700 P HA 0.242 nan 4.420 nan 0.000 0.272 700 P C -1.849 175.339 177.300 -0.186 0.000 1.223 700 P CA -1.430 61.612 63.100 -0.097 0.000 0.784 700 P CB 0.399 32.102 31.700 0.006 0.000 0.923 701 P HA -0.247 nan 4.420 nan 0.000 0.216 701 P C 1.347 178.289 177.300 -0.596 0.000 1.153 701 P CA 1.862 64.772 63.100 -0.318 0.000 0.858 701 P CB -0.457 31.162 31.700 -0.136 0.000 0.789 702 H N -0.532 118.083 119.070 -0.759 0.000 2.423 702 H HA 0.009 3.713 4.556 -1.420 0.000 0.297 702 H C 1.764 176.733 175.328 -0.599 0.000 1.075 702 H CA 0.831 56.335 56.048 -0.907 0.000 1.342 702 H CB -1.517 27.940 29.762 -0.510 0.000 1.395 702 H HN -0.047 nan 8.280 nan 0.000 0.530 703 V N 1.557 120.868 119.914 -1.005 0.000 2.427 703 V HA -0.191 3.077 4.120 -1.420 0.000 0.248 703 V C 3.060 178.837 176.094 -0.529 0.000 1.051 703 V CA 1.916 63.689 62.300 -0.879 0.000 1.048 703 V CB -0.690 30.513 31.823 -1.034 0.000 0.666 703 V HN 0.360 nan 8.190 nan 0.000 0.456 704 R N 0.401 120.625 120.500 -0.460 0.000 2.073 704 R HA -0.153 3.335 4.340 -1.420 0.000 0.234 704 R C 2.295 178.391 176.300 -0.340 0.000 1.134 704 R CA 1.711 57.603 56.100 -0.346 0.000 0.952 704 R CB -0.454 29.648 30.300 -0.330 0.000 0.850 704 R HN 0.459 nan 8.270 nan 0.000 0.433 705 A N 0.716 123.277 122.820 -0.432 0.000 1.933 705 A HA -0.101 3.367 4.320 -1.420 0.000 0.218 705 A C 2.347 179.741 177.584 -0.316 0.000 1.175 705 A CA 1.694 53.516 52.037 -0.359 0.000 0.628 705 A CB -0.728 18.013 19.000 -0.432 0.000 0.814 705 A HN 0.563 nan 8.150 nan 0.000 0.444 706 A N -0.314 122.258 122.820 -0.413 0.000 1.898 706 A HA -0.130 3.338 4.320 -1.420 0.000 0.216 706 A C 2.240 179.724 177.584 -0.167 0.000 1.181 706 A CA 1.421 53.195 52.037 -0.439 0.000 0.620 706 A CB -0.441 18.291 19.000 -0.446 0.000 0.819 706 A HN 0.537 nan 8.150 nan 0.000 0.442 707 R N -0.610 119.791 120.500 -0.166 0.000 2.096 707 R HA -0.030 3.458 4.340 -1.420 0.000 0.235 707 R C 2.024 178.288 176.300 -0.061 0.000 1.127 707 R CA 1.365 57.414 56.100 -0.086 0.000 0.968 707 R CB -0.483 29.749 30.300 -0.113 0.000 0.861 707 R HN 0.503 nan 8.270 nan 0.000 0.440 708 L N -0.044 121.122 121.223 -0.095 0.000 2.056 708 L HA -0.149 3.339 4.340 -1.420 0.000 0.207 708 L C 2.655 179.522 176.870 -0.005 0.000 1.078 708 L CA 1.176 55.975 54.840 -0.068 0.000 0.749 708 L CB -0.528 41.476 42.059 -0.092 0.000 0.901 708 L HN 0.250 nan 8.230 nan 0.000 0.433 709 A N -0.342 122.514 122.820 0.059 0.000 1.902 709 A HA -0.227 3.241 4.320 -1.420 0.000 0.217 709 A C 1.938 179.664 177.584 0.236 0.000 1.181 709 A CA 1.959 54.152 52.037 0.261 0.000 0.623 709 A CB -0.470 18.723 19.000 0.322 0.000 0.818 709 A HN 0.318 nan 8.150 nan 0.000 0.443 710 D N -0.488 120.035 120.400 0.205 0.000 2.183 710 D HA -0.066 3.722 4.640 -1.420 0.000 0.203 710 D C 1.958 178.283 176.300 0.042 0.000 0.969 710 D CA 1.020 55.112 54.000 0.154 0.000 0.842 710 D CB -0.245 40.653 40.800 0.164 0.000 0.957 710 D HN 0.634 nan 8.370 nan 0.000 0.484 711 E N 0.358 120.557 120.200 -0.002 0.000 2.051 711 E HA -0.205 3.293 4.350 -1.420 0.000 0.192 711 E C 1.845 178.387 176.600 -0.096 0.000 0.991 711 E CA 0.913 57.287 56.400 -0.044 0.000 0.799 711 E CB 0.051 29.717 29.700 -0.057 0.000 0.748 711 E HN 0.112 nan 8.360 nan 0.000 0.449 712 E N 1.203 121.303 120.200 -0.166 0.000 2.077 712 E HA -0.181 3.317 4.350 -1.420 0.000 0.193 712 E C 1.718 178.111 176.600 -0.346 0.000 0.989 712 E CA 1.178 57.359 56.400 -0.364 0.000 0.800 712 E CB -0.107 29.154 29.700 -0.731 0.000 0.746 712 E HN 0.117 nan 8.360 nan 0.000 0.452 713 N N 0.337 118.932 118.700 -0.174 0.000 2.104 713 N HA -0.185 3.703 4.740 -1.420 0.000 0.190 713 N C 1.734 177.231 175.510 -0.022 0.000 1.024 713 N CA 1.203 54.244 53.050 -0.015 0.000 0.853 713 N CB -0.290 38.274 38.487 0.128 0.000 1.008 713 N HN 0.360 nan 8.380 nan 0.000 0.424 714 Q N 0.837 120.620 119.800 -0.028 0.000 2.084 714 Q HA -0.056 3.432 4.340 -1.420 0.000 0.202 714 Q C 1.377 177.352 176.000 -0.041 0.000 0.978 714 Q CA 1.238 57.029 55.803 -0.021 0.000 0.844 714 Q CB 0.127 28.853 28.738 -0.019 0.000 0.898 714 Q HN 0.319 nan 8.270 nan 0.000 0.426 715 K N -0.240 120.115 120.400 -0.076 0.000 2.439 715 K HA -0.064 3.404 4.320 -1.420 0.000 0.197 715 K C 1.350 177.905 176.600 -0.076 0.000 1.041 715 K CA 0.620 56.861 56.287 -0.077 0.000 0.970 715 K CB 0.159 32.599 32.500 -0.100 0.000 0.773 715 K HN 0.124 nan 8.250 nan 0.000 0.479 716 R N -0.288 120.164 120.500 -0.080 0.000 2.432 716 R HA 0.086 3.574 4.340 -1.420 0.000 0.260 716 R C 0.553 176.831 176.300 -0.037 0.000 0.935 716 R CA 0.318 56.377 56.100 -0.067 0.000 1.080 716 R CB 0.909 31.161 30.300 -0.081 0.000 1.155 716 R HN 0.241 nan 8.270 nan 0.000 0.531 717 G N 2.299 111.089 108.800 -0.015 0.000 2.225 717 G HA2 -0.340 2.768 3.960 -1.420 0.000 0.267 717 G HA3 -0.340 2.768 3.960 -1.420 0.000 0.267 717 G C -0.103 174.824 174.900 0.045 0.000 1.024 717 G CA 0.286 45.392 45.100 0.011 0.000 0.784 717 G HN 0.266 nan 8.290 nan 0.000 0.507 718 R N 0.386 120.928 120.500 0.070 0.000 2.668 718 R HA 0.521 4.009 4.340 -1.420 0.000 0.279 718 R C -2.182 174.222 176.300 0.173 0.000 0.976 718 R CA -1.939 54.264 56.100 0.172 0.000 0.978 718 R CB 1.397 31.830 30.300 0.222 0.000 1.133 718 R HN 0.099 nan 8.270 nan 0.000 0.484 719 P HA -0.009 nan 4.420 nan 0.000 0.268 719 P C -0.322 177.025 177.300 0.078 0.000 1.204 719 P CA 0.209 63.376 63.100 0.112 0.000 0.768 719 P CB 0.533 32.277 31.700 0.073 0.000 0.842 720 L N 2.829 124.077 121.223 0.041 0.000 2.483 720 L HA 0.009 3.497 4.340 -1.420 0.000 0.276 720 L C 1.732 178.565 176.870 -0.062 0.000 1.213 720 L CA 0.421 55.273 54.840 0.021 0.000 0.843 720 L CB -0.271 41.804 42.059 0.026 0.000 1.107 720 L HN 0.485 nan 8.230 nan 0.000 0.487 721 Q N 1.016 120.713 119.800 -0.172 0.000 2.369 721 Q HA 0.066 3.554 4.340 -1.420 0.000 0.254 721 Q C 0.202 175.831 176.000 -0.618 0.000 0.858 721 Q CA 0.431 55.944 55.803 -0.483 0.000 0.961 721 Q CB 0.604 28.834 28.738 -0.846 0.000 1.119 721 Q HN 0.618 nan 8.270 nan 0.000 0.538 722 Y N 0.308 120.637 120.300 0.048 0.000 2.636 722 Y HA 0.191 3.889 4.550 -1.420 0.000 0.260 722 Y C 1.626 177.550 175.900 0.040 0.000 1.177 722 Y CA -0.252 57.874 58.100 0.042 0.000 1.209 722 Y CB 0.648 39.126 38.460 0.029 0.000 1.166 722 Y HN -0.006 nan 8.280 nan 0.000 0.531 723 Q N 0.307 120.168 119.800 0.101 0.000 2.123 723 Q HA -0.083 3.405 4.340 -1.420 0.000 0.199 723 Q C 0.361 176.405 176.000 0.073 0.000 0.966 723 Q CA 1.061 56.913 55.803 0.082 0.000 0.845 723 Q CB -0.006 28.758 28.738 0.043 0.000 0.907 723 Q HN 0.294 nan 8.270 nan 0.000 0.439 724 N N 0.239 118.973 118.700 0.057 0.000 2.757 724 N HA 0.165 4.053 4.740 -1.420 0.000 0.296 724 N C -1.319 174.227 175.510 0.060 0.000 1.874 724 N CA -0.095 52.983 53.050 0.046 0.000 0.885 724 N CB 0.179 38.677 38.487 0.019 0.000 1.242 724 N HN 0.095 nan 8.380 nan 0.000 0.488 725 R N -1.213 119.350 120.500 0.104 0.000 3.976 725 R HA 0.074 3.562 4.340 -1.420 0.000 0.448 725 R C -0.028 176.354 176.300 0.137 0.000 0.289 725 R CA 0.575 56.749 56.100 0.125 0.000 1.411 725 R CB -1.267 29.083 30.300 0.084 0.000 1.199 725 R HN 0.579 nan 8.270 nan 0.000 0.493 726 G N -0.338 108.560 108.800 0.164 0.000 2.346 726 G HA2 0.202 3.310 3.960 -1.420 0.000 0.294 726 G HA3 0.202 3.310 3.960 -1.420 0.000 0.294 726 G C -1.441 173.596 174.900 0.229 0.000 1.294 726 G CA -0.360 44.845 45.100 0.175 0.000 0.962 726 G HN 0.623 nan 8.290 nan 0.000 0.508 727 T N 0.193 114.895 114.554 0.247 0.000 2.829 727 T HA 0.637 4.135 4.350 -1.420 0.000 0.280 727 T C -0.591 174.288 174.700 0.298 0.000 0.999 727 T CA -0.110 62.137 62.100 0.245 0.000 0.983 727 T CB 1.726 70.712 68.868 0.197 0.000 0.968 727 T HN 0.944 nan 8.240 nan 0.000 0.446 728 I N 2.462 123.162 120.570 0.218 0.000 2.433 728 I HA 0.472 3.790 4.170 -1.420 0.000 0.292 728 I C -0.830 175.416 176.117 0.215 0.000 1.001 728 I CA -0.580 60.783 61.300 0.105 0.000 1.119 728 I CB 1.135 39.022 38.000 -0.187 0.000 1.289 728 I HN 0.397 nan 8.210 nan 0.000 0.438 729 K N 7.621 128.129 120.400 0.180 0.000 2.213 729 K HA 0.497 3.965 4.320 -1.420 0.000 0.270 729 K C -1.591 175.141 176.600 0.220 0.000 1.002 729 K CA -0.520 55.868 56.287 0.169 0.000 0.868 729 K CB 1.461 34.023 32.500 0.103 0.000 1.093 729 K HN 0.630 nan 8.250 nan 0.000 0.454 730 Y N -1.187 119.165 120.300 0.088 0.000 2.644 730 Y HA 0.689 4.387 4.550 -1.420 0.000 0.338 730 Y C -0.889 175.130 175.900 0.199 0.000 1.119 730 Y CA -1.462 56.681 58.100 0.071 0.000 1.060 730 Y CB 0.957 39.408 38.460 -0.016 0.000 1.294 730 Y HN 0.241 nan 8.280 nan 0.000 0.472 731 V N -2.479 117.580 119.914 0.242 0.000 3.102 731 V HA 0.534 3.802 4.120 -1.420 0.000 0.312 731 V C -1.518 174.750 176.094 0.290 0.000 1.135 731 V CA -1.001 61.477 62.300 0.297 0.000 1.022 731 V CB 2.500 34.443 31.823 0.198 0.000 1.056 731 V HN 1.014 nan 8.190 nan 0.000 0.436 732 W N 3.554 124.956 121.300 0.170 0.000 2.291 732 W HA 0.615 4.423 4.660 -1.420 0.000 0.312 732 W C 0.156 176.634 176.519 -0.068 0.000 1.061 732 W CA 0.369 57.626 57.345 -0.147 0.000 1.296 732 W CB 1.597 30.576 29.460 -0.802 0.000 1.223 732 W HN 1.065 nan 8.180 nan 0.000 0.421 733 T N 0.226 114.714 114.554 -0.110 0.000 2.910 733 T HA 0.211 3.709 4.350 -1.420 0.000 0.279 733 T C 1.427 176.128 174.700 0.002 0.000 0.989 733 T CA 0.133 62.214 62.100 -0.032 0.000 0.968 733 T CB 1.429 70.246 68.868 -0.085 0.000 1.135 733 T HN 0.370 nan 8.240 nan 0.000 0.562 734 T N -1.565 112.991 114.554 0.004 0.000 3.051 734 T HA -0.012 3.486 4.350 -1.420 0.000 0.269 734 T C 0.976 175.674 174.700 -0.003 0.000 1.127 734 T CA 0.970 63.087 62.100 0.029 0.000 1.107 734 T CB -0.762 68.113 68.868 0.013 0.000 0.898 734 T HN 0.705 nan 8.240 nan 0.000 0.517 735 N N 0.800 119.459 118.700 -0.068 0.000 2.275 735 N HA 0.492 4.380 4.740 -1.420 0.000 0.236 735 N C 0.528 175.915 175.510 -0.204 0.000 1.154 735 N CA -0.042 52.948 53.050 -0.100 0.000 0.866 735 N CB 0.847 39.279 38.487 -0.091 0.000 1.093 735 N HN 0.620 nan 8.380 nan 0.000 0.515 736 G N 1.514 110.120 108.800 -0.322 0.000 2.685 736 G HA2 -0.179 2.929 3.960 -1.420 0.000 0.387 736 G HA3 -0.179 2.929 3.960 -1.420 0.000 0.387 736 G C -3.007 171.269 174.900 -1.039 0.000 1.324 736 G CA -1.169 43.505 45.100 -0.709 0.000 0.878 736 G HN -0.027 nan 8.290 nan 0.000 0.527 737 P HA 0.335 nan 4.420 nan 0.000 0.271 737 P C -0.512 176.526 177.300 -0.437 0.000 1.220 737 P CA 0.611 63.177 63.100 -0.889 0.000 0.768 737 P CB 1.019 32.160 31.700 -0.932 0.000 0.848 738 E N 3.891 123.968 120.200 -0.205 0.000 2.340 738 E HA 0.366 3.864 4.350 -1.420 0.000 0.273 738 E C -2.476 174.133 176.600 0.015 0.000 0.891 738 E CA -2.608 53.730 56.400 -0.104 0.000 0.757 738 E CB 2.268 31.922 29.700 -0.077 0.000 1.231 738 E HN 0.381 nan 8.360 nan 0.000 0.439 739 P HA -0.042 nan 4.420 nan 0.000 0.268 739 P C 0.595 177.936 177.300 0.068 0.000 1.205 739 P CA -0.148 62.986 63.100 0.058 0.000 0.771 739 P CB 0.993 32.728 31.700 0.060 0.000 0.858 740 L N 3.295 124.559 121.223 0.067 0.000 2.042 740 L HA -0.180 3.308 4.340 -1.420 0.000 0.210 740 L C 1.636 178.491 176.870 -0.024 0.000 1.076 740 L CA 2.121 56.981 54.840 0.034 0.000 0.749 740 L CB -1.166 40.914 42.059 0.036 0.000 0.893 740 L HN 0.216 nan 8.230 nan 0.000 0.432 741 D N -1.098 119.246 120.400 -0.092 0.000 2.178 741 D HA -0.180 3.608 4.640 -1.420 0.000 0.201 741 D C 0.339 176.367 176.300 -0.454 0.000 0.980 741 D CA 1.456 55.267 54.000 -0.315 0.000 0.842 741 D CB -0.057 40.460 40.800 -0.472 0.000 0.948 741 D HN 0.455 nan 8.370 nan 0.000 0.472 742 Y N 0.382 120.710 120.300 0.047 0.000 2.516 742 Y HA 0.235 3.933 4.550 -1.420 0.000 0.341 742 Y C 0.200 176.101 175.900 0.003 0.000 0.912 742 Y CA -0.758 57.355 58.100 0.023 0.000 1.167 742 Y CB -0.109 38.365 38.460 0.023 0.000 1.195 742 Y HN -0.203 nan 8.280 nan 0.000 0.610 743 Q N 1.747 121.612 119.800 0.108 0.000 2.286 743 Q HA 0.156 3.644 4.340 -1.420 0.000 0.267 743 Q C 0.645 176.675 176.000 0.049 0.000 1.028 743 Q CA 0.008 55.847 55.803 0.059 0.000 0.901 743 Q CB 0.804 29.562 28.738 0.034 0.000 1.183 743 Q HN 0.420 nan 8.270 nan 0.000 0.392 744 R N 1.574 122.089 120.500 0.025 0.000 2.167 744 R HA 0.201 3.689 4.340 -1.420 0.000 0.201 744 R C 0.264 176.561 176.300 -0.006 0.000 1.024 744 R CA 0.324 56.430 56.100 0.010 0.000 1.053 744 R CB 0.285 30.582 30.300 -0.005 0.000 0.987 744 R HN 0.443 nan 8.270 nan 0.000 0.493 745 S N 2.627 118.316 115.700 -0.019 0.000 2.651 745 S HA 0.468 4.086 4.470 -1.420 0.000 0.291 745 S C -2.470 172.114 174.600 -0.027 0.000 1.141 745 S CA -1.292 56.892 58.200 -0.027 0.000 1.027 745 S CB 1.993 65.167 63.200 -0.044 0.000 1.043 745 S HN 0.020 nan 8.310 nan 0.000 0.530 746 P HA 0.206 nan 4.420 nan 0.000 0.274 746 P C -0.682 176.564 177.300 -0.090 0.000 1.231 746 P CA -0.438 62.631 63.100 -0.052 0.000 0.790 746 P CB 0.363 32.039 31.700 -0.040 0.000 0.951 747 L N 1.641 122.759 121.223 -0.174 0.000 2.485 747 L HA 0.064 3.552 4.340 -1.420 0.000 0.275 747 L C 1.148 177.831 176.870 -0.310 0.000 1.207 747 L CA 0.354 55.057 54.840 -0.228 0.000 0.855 747 L CB -0.173 41.638 42.059 -0.413 0.000 1.114 747 L HN 0.365 nan 8.230 nan 0.000 0.485 748 D N 1.579 121.971 120.400 -0.013 0.000 2.500 748 D HA 0.080 3.868 4.640 -1.420 0.000 0.219 748 D C 0.580 177.002 176.300 0.204 0.000 1.137 748 D CA -0.270 53.774 54.000 0.074 0.000 0.946 748 D CB 0.442 41.378 40.800 0.227 0.000 1.022 748 D HN 0.269 nan 8.370 nan 0.000 0.518 749 Y N 1.252 121.714 120.300 0.271 0.000 2.333 749 Y HA -0.111 3.587 4.550 -1.420 0.000 0.290 749 Y C 2.240 178.265 175.900 0.209 0.000 1.144 749 Y CA 0.680 58.932 58.100 0.254 0.000 1.228 749 Y CB -0.140 38.389 38.460 0.114 0.000 0.985 749 Y HN 0.428 nan 8.280 nan 0.000 0.542 750 E N 0.048 120.414 120.200 0.277 0.000 2.110 750 E HA -0.278 3.220 4.350 -1.420 0.000 0.193 750 E C 2.045 178.702 176.600 0.095 0.000 0.988 750 E CA 1.499 57.996 56.400 0.161 0.000 0.804 750 E CB -0.289 29.480 29.700 0.115 0.000 0.745 750 E HN 0.703 nan 8.360 nan 0.000 0.458 751 H N -0.924 118.129 119.070 -0.029 0.000 2.321 751 H HA -0.157 3.547 4.556 -1.420 0.000 0.300 751 H C 1.762 176.935 175.328 -0.259 0.000 1.087 751 H CA 2.229 58.117 56.048 -0.266 0.000 1.319 751 H CB -0.395 29.056 29.762 -0.519 0.000 1.379 751 H HN 0.153 nan 8.280 nan 0.000 0.501 752 Y N -0.462 119.849 120.300 0.019 0.000 2.242 752 Y HA -0.138 3.560 4.550 -1.420 0.000 0.291 752 Y C 2.500 178.343 175.900 -0.096 0.000 1.137 752 Y CA 1.121 59.202 58.100 -0.032 0.000 1.181 752 Y CB -0.460 38.069 38.460 0.115 0.000 0.989 752 Y HN 0.300 nan 8.280 nan 0.000 0.527 753 L N -0.690 120.600 121.223 0.112 0.000 2.017 753 L HA -0.182 3.306 4.340 -1.420 0.000 0.208 753 L C 2.140 179.009 176.870 -0.002 0.000 1.073 753 L CA 2.268 57.145 54.840 0.061 0.000 0.745 753 L CB -1.050 41.069 42.059 0.100 0.000 0.894 753 L HN 0.102 nan 8.230 nan 0.000 0.432 754 T N -0.439 114.079 114.554 -0.060 0.000 2.896 754 T HA -0.009 3.490 4.350 -1.420 0.000 0.263 754 T C 1.759 176.335 174.700 -0.207 0.000 1.050 754 T CA 0.951 62.989 62.100 -0.104 0.000 1.140 754 T CB -0.024 68.781 68.868 -0.105 0.000 0.877 754 T HN 0.238 nan 8.240 nan 0.000 0.457 755 R N 0.478 120.746 120.500 -0.386 0.000 2.265 755 R HA 0.315 3.803 4.340 -1.420 0.000 0.194 755 R C 1.877 178.023 176.300 -0.257 0.000 0.931 755 R CA 0.402 56.236 56.100 -0.443 0.000 1.032 755 R CB -0.022 29.730 30.300 -0.915 0.000 0.980 755 R HN 0.366 nan 8.270 nan 0.000 0.497 756 Q N -0.245 119.466 119.800 -0.148 0.000 2.581 756 Q HA 0.271 3.759 4.340 -1.420 0.000 0.222 756 Q C 2.264 178.342 176.000 0.131 0.000 0.904 756 Q CA 0.387 56.243 55.803 0.088 0.000 0.923 756 Q CB 0.171 28.962 28.738 0.088 0.000 1.117 756 Q HN 0.152 nan 8.270 nan 0.000 0.618 757 L N 1.052 122.258 121.223 -0.028 0.000 2.044 757 L HA -0.123 3.365 4.340 -1.420 0.000 0.205 757 L C 2.700 179.422 176.870 -0.246 0.000 1.075 757 L CA 1.232 55.983 54.840 -0.148 0.000 0.747 757 L CB -0.411 41.444 42.059 -0.339 0.000 0.903 757 L HN 0.307 nan 8.230 nan 0.000 0.435 758 Q N 0.389 119.956 119.800 -0.388 0.000 2.061 758 Q HA -0.199 3.289 4.340 -1.420 0.000 0.204 758 Q C -0.528 175.238 176.000 -0.389 0.000 0.984 758 Q CA 2.129 57.513 55.803 -0.699 0.000 0.846 758 Q CB -0.673 27.872 28.738 -0.321 0.000 0.902 758 Q HN 0.275 nan 8.270 nan 0.000 0.421 759 P HA -0.150 nan 4.420 nan 0.000 0.215 759 P C 1.324 178.583 177.300 -0.069 0.000 1.153 759 P CA 1.184 64.257 63.100 -0.044 0.000 0.853 759 P CB -0.013 31.761 31.700 0.123 0.000 0.788 760 V N 0.169 120.064 119.914 -0.032 0.000 2.295 760 V HA -0.261 3.007 4.120 -1.420 0.000 0.246 760 V C 2.470 178.545 176.094 -0.031 0.000 1.049 760 V CA 2.318 64.599 62.300 -0.032 0.000 1.024 760 V CB -1.722 30.152 31.823 0.084 0.000 0.648 760 V HN 0.101 nan 8.190 nan 0.000 0.447 761 A N -0.247 122.544 122.820 -0.049 0.000 1.877 761 A HA -0.242 3.226 4.320 -1.420 0.000 0.216 761 A C 2.127 179.667 177.584 -0.073 0.000 1.186 761 A CA 1.830 53.830 52.037 -0.061 0.000 0.620 761 A CB -0.527 18.412 19.000 -0.101 0.000 0.822 761 A HN 0.629 nan 8.150 nan 0.000 0.443 762 E N -0.594 119.535 120.200 -0.119 0.000 2.265 762 E HA -0.106 3.392 4.350 -1.420 0.000 0.196 762 E C 1.894 178.445 176.600 -0.083 0.000 0.996 762 E CA 0.556 56.908 56.400 -0.081 0.000 0.832 762 E CB -0.317 29.335 29.700 -0.080 0.000 0.756 762 E HN 0.637 nan 8.360 nan 0.000 0.491 763 G N 0.768 109.539 108.800 -0.049 0.000 2.471 763 G HA2 -0.151 2.957 3.960 -1.420 0.000 0.219 763 G HA3 -0.151 2.957 3.960 -1.420 0.000 0.219 763 G C 1.490 176.421 174.900 0.052 0.000 1.125 763 G CA 0.338 45.442 45.100 0.006 0.000 0.775 763 G HN 0.279 nan 8.290 nan 0.000 0.548 764 I N -1.428 119.118 120.570 -0.040 0.000 4.530 764 I HA 0.278 3.596 4.170 -1.420 0.000 0.318 764 I C 2.083 178.139 176.117 -0.103 0.000 1.257 764 I CA -0.040 61.210 61.300 -0.084 0.000 1.301 764 I CB 0.226 37.912 38.000 -0.524 0.000 1.297 764 I HN -0.023 nan 8.210 nan 0.000 0.451 765 L N 2.151 123.281 121.223 -0.155 0.000 2.079 765 L HA -0.117 3.371 4.340 -1.420 0.000 0.210 765 L C -0.643 176.150 176.870 -0.127 0.000 1.081 765 L CA 1.595 56.349 54.840 -0.143 0.000 0.752 765 L CB -2.099 39.938 42.059 -0.036 0.000 0.896 765 L HN 0.233 nan 8.230 nan 0.000 0.433 766 P HA -0.171 nan 4.420 nan 0.000 0.218 766 P C 1.389 178.485 177.300 -0.341 0.000 1.148 766 P CA 1.407 64.320 63.100 -0.311 0.000 0.822 766 P CB -0.045 31.369 31.700 -0.477 0.000 0.784 767 F N -0.582 119.287 119.950 -0.135 0.000 2.365 767 F HA -0.009 3.666 4.527 -1.420 0.000 0.300 767 F C 1.812 177.536 175.800 -0.126 0.000 1.090 767 F CA 0.878 58.788 58.000 -0.150 0.000 1.408 767 F CB -0.885 37.993 39.000 -0.205 0.000 1.060 767 F HN -0.051 nan 8.300 nan 0.000 0.534 768 I N -2.569 118.020 120.570 0.032 0.000 3.816 768 I HA 0.309 3.628 4.170 -1.420 0.000 0.334 768 I C -0.210 175.925 176.117 0.031 0.000 1.551 768 I CA -0.166 61.148 61.300 0.024 0.000 1.153 768 I CB -0.623 37.379 38.000 0.003 0.000 1.197 768 I HN 0.017 nan 8.210 nan 0.000 0.439 769 E N 1.300 121.500 120.200 0.000 0.000 2.360 769 E HA -0.231 3.267 4.350 -1.420 0.000 0.238 769 E C -0.370 176.244 176.600 0.024 0.000 1.186 769 E CA 0.737 57.136 56.400 -0.002 0.000 0.719 769 E CB -0.958 28.748 29.700 0.009 0.000 1.236 769 E HN 0.684 nan 8.360 nan 0.000 0.386 770 D N 0.080 120.498 120.400 0.030 0.000 2.423 770 D HA 0.397 4.185 4.640 -1.420 0.000 0.235 770 D C -0.985 175.345 176.300 0.050 0.000 1.011 770 D CA -0.625 53.421 54.000 0.077 0.000 0.963 770 D CB 1.226 42.135 40.800 0.182 0.000 1.349 770 D HN 0.082 nan 8.370 nan 0.000 0.508 771 N N 2.376 121.121 118.700 0.076 0.000 2.371 771 N HA 0.066 3.954 4.740 -1.420 0.000 0.291 771 N C -0.040 175.550 175.510 0.135 0.000 1.053 771 N CA -0.421 52.678 53.050 0.081 0.000 0.870 771 N CB 0.994 39.505 38.487 0.039 0.000 1.503 771 N HN 0.311 nan 8.380 nan 0.000 0.485 772 F N 4.192 124.159 119.950 0.028 0.000 2.134 772 F HA -0.012 3.663 4.527 -1.420 0.000 0.299 772 F C 2.139 177.960 175.800 0.035 0.000 1.097 772 F CA 2.052 60.083 58.000 0.052 0.000 1.264 772 F CB -0.089 38.945 39.000 0.057 0.000 1.001 772 F HN 0.704 nan 8.300 nan 0.000 0.479 773 A N -0.494 122.381 122.820 0.090 0.000 1.883 773 A HA -0.217 3.252 4.320 -1.420 0.000 0.217 773 A C 2.209 179.736 177.584 -0.094 0.000 1.186 773 A CA 2.431 54.459 52.037 -0.014 0.000 0.624 773 A CB -1.489 17.541 19.000 0.049 0.000 0.822 773 A HN 0.427 nan 8.150 nan 0.000 0.444 774 T N 0.458 114.981 114.554 -0.053 0.000 2.759 774 T HA -0.096 3.402 4.350 -1.420 0.000 0.269 774 T C 1.787 176.428 174.700 -0.098 0.000 1.042 774 T CA 1.444 63.511 62.100 -0.056 0.000 1.140 774 T CB -0.373 68.482 68.868 -0.022 0.000 0.864 774 T HN 0.371 nan 8.240 nan 0.000 0.455 775 L N 0.044 121.181 121.223 -0.143 0.000 2.056 775 L HA -0.051 3.437 4.340 -1.420 0.000 0.207 775 L C 2.755 179.477 176.870 -0.246 0.000 1.078 775 L CA 1.239 55.974 54.840 -0.176 0.000 0.749 775 L CB -0.477 41.476 42.059 -0.177 0.000 0.901 775 L HN 0.298 nan 8.230 nan 0.000 0.433 776 M N -0.927 118.439 119.600 -0.388 0.000 2.086 776 M HA -0.213 3.415 4.480 -1.420 0.000 0.261 776 M C 2.332 178.528 176.300 -0.173 0.000 1.067 776 M CA 1.951 57.052 55.300 -0.332 0.000 1.116 776 M CB -0.463 31.920 32.600 -0.361 0.000 1.348 776 M HN 0.242 nan 8.290 nan 0.000 0.407 777 T N -0.018 114.453 114.554 -0.139 0.000 2.684 777 T HA -0.123 3.375 4.350 -1.420 0.000 0.267 777 T C 1.602 176.259 174.700 -0.072 0.000 1.036 777 T CA 1.665 63.715 62.100 -0.083 0.000 1.148 777 T CB -0.650 68.180 68.868 -0.063 0.000 0.863 777 T HN 0.645 nan 8.240 nan 0.000 0.436 778 G N -0.051 108.702 108.800 -0.078 0.000 2.471 778 G HA2 -0.168 2.940 3.960 -1.420 0.000 0.219 778 G HA3 -0.168 2.940 3.960 -1.420 0.000 0.219 778 G C 1.379 176.242 174.900 -0.062 0.000 1.125 778 G CA 0.649 45.712 45.100 -0.061 0.000 0.775 778 G HN 0.488 nan 8.290 nan 0.000 0.548 779 Q N -1.301 118.451 119.800 -0.079 0.000 2.390 779 Q HA 0.265 3.753 4.340 -1.420 0.000 0.216 779 Q C 0.729 176.690 176.000 -0.066 0.000 0.916 779 Q CA -0.313 55.446 55.803 -0.074 0.000 0.911 779 Q CB 0.136 28.819 28.738 -0.092 0.000 1.035 779 Q HN 0.341 nan 8.270 nan 0.000 0.541 780 L N 0.000 121.179 121.223 -0.073 0.000 2.949 780 L HA 0.000 3.488 4.340 -1.420 0.000 0.249 780 L CA 0.000 54.807 54.840 -0.055 0.000 0.813 780 L CB 0.000 42.024 42.059 -0.059 0.000 0.961 780 L HN 0.000 nan 8.230 nan 0.000 0.502