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 1h2w_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLSFQYPDVY RDETAIQDYH GHKVCDPYAW LEDPDSEQTK AFVEAQNKIT DATA SEQUENCE VPFLEQCPIR GLYKERMTEL YDYPKYSCHF KKGKRYFYFY NTGLQNQRVL DATA SEQUENCE YVQDSLEGEA RVFLDPNILS DDGTVALRGY AFSEDGEYFA YGLSASGSDW DATA SEQUENCE VTIKFMKVDG AKELPDVLER VKFSCMAWTH DGKGMFYNAY PQQDGKSDGT DATA SEQUENCE ETSTNLHQKL YYHVLGTDQS EDILCAEFPD EPKWMGGAEL SDDGRYVLLS DATA SEQUENCE IREGCDPVNR LWYCDLQQES NGITGILKWV KLIDNFEGEY DYVTNEGTVF DATA SEQUENCE TFKTNRHSPN YRLINIDFTD PEESKWKVLV PEHEKDVLEW VACVRSNFLV DATA SEQUENCE LCYLHDVKNT LQLHDLATGA LLKIFPLEVG SVVGYSGQKK DTEIFYQFTS DATA SEQUENCE FLSPGIIYHC DLTKEELEPR VFREVTVKGI DASDYQTVQI FYPSKDGTKI DATA SEQUENCE PMFIVHKKGI KLDGSHPAFL YGYGGFNISI TPNYSVSRLI FVRHMGGVLA DATA SEQUENCE VANIRGGGEY GETWHKGGIL ANKQNCFDDF QCAAEYLIKE GYTSPKRLTI DATA SEQUENCE NGGSNGGLLV ATCANQRPDL FGCVIAQVGV MDMLKFHKYT IGHAWTTDYG DATA SEQUENCE CSDSKQHFEW LIKYSPLHNV KLPEADDIQY PSMLLLTADH DDRVVPLHSL DATA SEQUENCE KFIATLQYIV GRSRKQNNPL LIHVDTKAGH GAGKPTAKVI EEVSDMFAFI DATA SEQUENCE ARCLNIDWIP 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.315 176.300 0.025 0.000 1.140 1 M CA 0.000 55.315 55.300 0.024 0.000 0.988 1 M CB 0.000 32.635 32.600 0.059 0.000 1.302 2 L N 2.170 123.337 121.223 -0.094 0.000 2.302 2 L HA 0.404 4.744 4.340 0.001 0.000 0.285 2 L C 0.595 177.256 176.870 -0.349 0.000 1.090 2 L CA 0.525 55.159 54.840 -0.343 0.000 0.866 2 L CB 1.166 42.908 42.059 -0.529 0.000 1.244 2 L HN 0.171 nan 8.230 nan 0.000 0.435 3 S N 3.237 118.828 115.700 -0.182 0.000 2.614 3 S HA 0.254 4.724 4.470 0.001 0.000 0.230 3 S C -0.031 174.576 174.600 0.013 0.000 0.952 3 S CA -0.374 57.795 58.200 -0.052 0.000 0.949 3 S CB -0.604 62.632 63.200 0.060 0.000 0.786 3 S HN 0.447 nan 8.310 nan 0.000 0.478 4 F N 0.169 120.091 119.950 -0.047 0.000 2.664 4 F HA 0.755 5.282 4.527 0.001 0.000 0.329 4 F C -0.660 175.025 175.800 -0.192 0.000 1.090 4 F CA -1.498 56.448 58.000 -0.089 0.000 0.978 4 F CB 1.019 39.977 39.000 -0.070 0.000 1.378 4 F HN -0.118 nan 8.300 nan 0.000 0.495 5 Q N 1.257 121.129 119.800 0.121 0.000 2.340 5 Q HA 0.374 4.714 4.340 0.001 0.000 0.268 5 Q C -1.893 174.161 176.000 0.089 0.000 1.031 5 Q CA -0.832 54.964 55.803 -0.011 0.000 0.804 5 Q CB 1.671 30.422 28.738 0.023 0.000 1.286 5 Q HN 0.751 nan 8.270 nan 0.000 0.448 6 Y N 2.910 123.324 120.300 0.189 0.000 2.480 6 Y HA 0.189 4.739 4.550 0.001 0.000 0.338 6 Y C -1.769 174.176 175.900 0.075 0.000 1.220 6 Y CA -1.344 56.834 58.100 0.130 0.000 1.430 6 Y CB -0.116 38.403 38.460 0.099 0.000 1.311 6 Y HN 0.554 nan 8.280 nan 0.000 0.575 7 P HA -0.005 nan 4.420 nan 0.000 0.269 7 P C -0.788 176.608 177.300 0.161 0.000 1.215 7 P CA -0.098 63.068 63.100 0.109 0.000 0.780 7 P CB 0.580 32.269 31.700 -0.019 0.000 0.898 8 D N 1.225 121.722 120.400 0.162 0.000 2.348 8 D HA 0.165 4.805 4.640 0.001 0.000 0.253 8 D C -0.497 175.965 176.300 0.270 0.000 1.161 8 D CA 0.341 54.460 54.000 0.200 0.000 0.876 8 D CB 0.812 41.710 40.800 0.163 0.000 1.160 8 D HN -0.010 nan 8.370 nan 0.000 0.459 9 V N 4.038 124.153 119.914 0.335 0.000 2.443 9 V HA 0.062 4.183 4.120 0.001 0.000 0.293 9 V C -0.284 176.123 176.094 0.522 0.000 1.021 9 V CA -1.047 61.556 62.300 0.506 0.000 0.848 9 V CB 1.237 33.351 31.823 0.486 0.000 0.998 9 V HN 0.416 nan 8.190 nan 0.000 0.424 10 Y N 5.495 126.029 120.300 0.391 0.000 2.610 10 Y HA 0.277 4.828 4.550 0.001 0.000 0.332 10 Y C 0.712 176.828 175.900 0.361 0.000 1.201 10 Y CA 0.077 58.303 58.100 0.210 0.000 1.465 10 Y CB 0.459 38.853 38.460 -0.110 0.000 1.283 10 Y HN 0.551 nan 8.280 nan 0.000 0.563 11 R N 4.679 124.752 120.500 -0.710 0.000 2.246 11 R HA 0.118 4.458 4.340 0.001 0.000 0.332 11 R C -1.183 174.563 176.300 -0.923 0.000 0.974 11 R CA -0.794 54.883 56.100 -0.704 0.000 0.837 11 R CB 0.584 30.495 30.300 -0.648 0.000 1.145 11 R HN 0.613 nan 8.270 nan 0.000 0.467 12 D N 3.097 123.237 120.400 -0.434 0.000 2.453 12 D HA 0.002 4.643 4.640 0.001 0.000 0.223 12 D C 0.527 176.727 176.300 -0.167 0.000 1.183 12 D CA -0.013 53.886 54.000 -0.168 0.000 0.933 12 D CB 0.782 41.679 40.800 0.163 0.000 1.038 12 D HN 0.386 nan 8.370 nan 0.000 0.513 13 E N 1.468 121.553 120.200 -0.192 0.000 2.472 13 E HA -0.097 4.253 4.350 0.001 0.000 0.200 13 E C 1.584 178.151 176.600 -0.054 0.000 1.046 13 E CA 0.638 56.961 56.400 -0.129 0.000 0.871 13 E CB -0.113 29.517 29.700 -0.116 0.000 0.806 13 E HN 0.620 nan 8.360 nan 0.000 0.533 14 T N -2.078 112.462 114.554 -0.023 0.000 3.081 14 T HA 0.243 4.593 4.350 0.001 0.000 0.255 14 T C 1.200 175.904 174.700 0.006 0.000 1.113 14 T CA 0.271 62.371 62.100 0.000 0.000 1.082 14 T CB 0.116 68.995 68.868 0.018 0.000 0.939 14 T HN 0.061 nan 8.240 nan 0.000 0.506 15 A N 1.915 124.738 122.820 0.006 0.000 2.785 15 A HA 0.580 4.901 4.320 0.001 0.000 0.294 15 A C -0.038 177.558 177.584 0.020 0.000 1.597 15 A CA -0.393 51.655 52.037 0.019 0.000 1.283 15 A CB -1.145 17.873 19.000 0.030 0.000 1.088 15 A HN 0.679 nan 8.150 nan 0.000 0.568 16 I N 1.142 121.723 120.570 0.019 0.000 2.498 16 I HA 0.374 4.545 4.170 0.001 0.000 0.290 16 I C -0.061 176.062 176.117 0.010 0.000 1.032 16 I CA -0.344 60.975 61.300 0.031 0.000 1.073 16 I CB 2.058 40.071 38.000 0.021 0.000 1.251 16 I HN 0.658 nan 8.210 nan 0.000 0.426 17 Q N 3.947 123.763 119.800 0.027 0.000 2.394 17 Q HA 0.361 4.702 4.340 0.001 0.000 0.273 17 Q C -1.653 174.289 176.000 -0.095 0.000 1.089 17 Q CA -0.796 54.957 55.803 -0.082 0.000 0.812 17 Q CB 2.759 31.405 28.738 -0.154 0.000 1.353 17 Q HN 0.646 nan 8.270 nan 0.000 0.438 18 D N 1.615 121.878 120.400 -0.227 0.000 2.274 18 D HA 0.226 4.866 4.640 0.001 0.000 0.239 18 D C -1.692 174.347 176.300 -0.434 0.000 1.104 18 D CA -0.082 53.796 54.000 -0.204 0.000 0.840 18 D CB 0.493 41.193 40.800 -0.168 0.000 1.100 18 D HN 0.359 nan 8.370 nan 0.000 0.477 19 Y N 4.055 124.125 120.300 -0.383 0.000 2.587 19 Y HA 0.232 4.783 4.550 0.001 0.000 0.328 19 Y C 0.071 175.522 175.900 -0.749 0.000 0.980 19 Y CA -0.700 56.928 58.100 -0.787 0.000 1.272 19 Y CB 0.412 38.178 38.460 -1.158 0.000 1.094 19 Y HN 0.553 nan 8.280 nan 0.000 0.503 20 H N 1.851 120.758 119.070 -0.272 0.000 2.713 20 H HA -0.234 4.323 4.556 0.001 0.000 0.311 20 H C 1.429 176.698 175.328 -0.098 0.000 1.175 20 H CA 1.107 57.045 56.048 -0.184 0.000 1.143 20 H CB -1.415 28.229 29.762 -0.198 0.000 1.434 20 H HN 1.074 nan 8.280 nan 0.000 0.418 21 G N -0.734 108.047 108.800 -0.032 0.000 2.279 21 G HA2 -0.316 3.644 3.960 0.001 0.000 0.223 21 G HA3 -0.316 3.644 3.960 0.001 0.000 0.223 21 G C 0.082 175.013 174.900 0.052 0.000 1.015 21 G CA 0.435 45.541 45.100 0.011 0.000 0.621 21 G HN 0.823 nan 8.290 nan 0.000 0.506 22 H N 2.324 121.380 119.070 -0.023 0.000 2.864 22 H HA 0.530 5.086 4.556 0.001 0.000 0.281 22 H C 0.151 175.516 175.328 0.060 0.000 1.093 22 H CA -0.608 55.473 56.048 0.056 0.000 1.453 22 H CB 0.395 30.261 29.762 0.174 0.000 1.462 22 H HN -0.055 nan 8.280 nan 0.000 0.480 23 K N 4.904 125.422 120.400 0.196 0.000 2.339 23 K HA 0.164 4.485 4.320 0.001 0.000 0.286 23 K C -0.821 175.974 176.600 0.325 0.000 1.050 23 K CA -0.404 55.995 56.287 0.186 0.000 0.956 23 K CB 1.471 34.015 32.500 0.073 0.000 0.990 23 K HN 0.289 nan 8.250 nan 0.000 0.475 24 V N 3.812 123.911 119.914 0.309 0.000 2.409 24 V HA 0.182 4.303 4.120 0.001 0.000 0.291 24 V C -0.120 176.101 176.094 0.211 0.000 1.020 24 V CA -0.964 61.512 62.300 0.293 0.000 0.848 24 V CB 1.553 33.550 31.823 0.290 0.000 0.990 24 V HN 0.796 nan 8.190 nan 0.000 0.430 25 C N 3.317 122.718 119.300 0.168 0.000 2.388 25 C HA 0.534 4.994 4.460 0.001 0.000 0.362 25 C C 0.454 175.502 174.990 0.095 0.000 1.266 25 C CA -0.374 58.702 59.018 0.096 0.000 2.028 25 C CB 0.474 28.243 27.740 0.048 0.000 2.440 25 C HN 0.919 nan 8.230 nan 0.000 0.547 26 D N 2.544 122.973 120.400 0.048 0.000 2.513 26 D HA 0.267 4.908 4.640 0.001 0.000 0.295 26 D C -1.151 175.093 176.300 -0.093 0.000 1.202 26 D CA -1.305 52.709 54.000 0.024 0.000 0.849 26 D CB 0.752 41.611 40.800 0.099 0.000 1.116 26 D HN 0.294 nan 8.370 nan 0.000 0.502 27 P HA -0.156 nan 4.420 nan 0.000 0.221 27 P C 0.303 177.305 177.300 -0.497 0.000 1.145 27 P CA 0.873 63.700 63.100 -0.454 0.000 0.795 27 P CB 0.065 31.313 31.700 -0.753 0.000 0.775 28 Y N -1.062 119.121 120.300 -0.194 0.000 2.658 28 Y HA 0.500 5.051 4.550 0.001 0.000 0.276 28 Y C 2.315 177.846 175.900 -0.615 0.000 1.167 28 Y CA -0.456 57.305 58.100 -0.565 0.000 1.230 28 Y CB -0.956 37.162 38.460 -0.571 0.000 1.144 28 Y HN -0.065 nan 8.280 nan 0.000 0.529 29 A N 1.209 123.927 122.820 -0.171 0.000 2.024 29 A HA -0.189 4.131 4.320 0.001 0.000 0.220 29 A C 1.880 179.430 177.584 -0.057 0.000 1.164 29 A CA 1.664 53.658 52.037 -0.072 0.000 0.643 29 A CB -1.051 17.973 19.000 0.040 0.000 0.806 29 A HN 0.813 nan 8.150 nan 0.000 0.451 30 W N -0.570 120.733 121.300 0.006 0.000 2.468 30 W HA -0.021 4.640 4.660 0.001 0.000 0.262 30 W C 0.952 177.441 176.519 -0.050 0.000 1.241 30 W CA 0.528 57.871 57.345 -0.003 0.000 1.232 30 W CB -1.047 28.432 29.460 0.033 0.000 1.124 30 W HN 0.240 nan 8.180 nan 0.000 0.597 31 L N 1.156 122.039 121.223 -0.566 0.000 2.551 31 L HA -0.072 4.269 4.340 0.001 0.000 0.228 31 L C 2.146 178.833 176.870 -0.305 0.000 1.153 31 L CA 1.014 55.508 54.840 -0.575 0.000 0.851 31 L CB -0.479 41.007 42.059 -0.955 0.000 0.959 31 L HN -0.009 nan 8.230 nan 0.000 0.451 32 E N -0.612 119.459 120.200 -0.214 0.000 2.347 32 E HA -0.134 4.216 4.350 0.001 0.000 0.196 32 E C 0.409 176.927 176.600 -0.135 0.000 1.008 32 E CA 0.264 56.536 56.400 -0.212 0.000 0.852 32 E CB 0.119 29.739 29.700 -0.133 0.000 0.783 32 E HN 0.223 nan 8.360 nan 0.000 0.505 33 D N 0.572 120.947 120.400 -0.042 0.000 2.396 33 D HA 0.033 4.674 4.640 0.001 0.000 0.225 33 D C -1.634 174.664 176.300 -0.004 0.000 1.121 33 D CA -2.519 51.482 54.000 0.001 0.000 0.853 33 D CB 1.232 42.068 40.800 0.060 0.000 1.043 33 D HN -0.098 nan 8.370 nan 0.000 0.500 34 P HA -0.012 nan 4.420 nan 0.000 0.229 34 P C 0.231 177.533 177.300 0.004 0.000 1.160 34 P CA 0.515 63.601 63.100 -0.025 0.000 0.777 34 P CB 0.702 32.372 31.700 -0.051 0.000 0.814 35 D N -0.034 120.373 120.400 0.012 0.000 2.354 35 D HA -0.008 4.633 4.640 0.001 0.000 0.209 35 D C 1.059 177.378 176.300 0.032 0.000 1.015 35 D CA 0.429 54.439 54.000 0.017 0.000 0.867 35 D CB 0.057 40.864 40.800 0.011 0.000 0.933 35 D HN 0.262 nan 8.370 nan 0.000 0.520 36 S N 0.916 116.646 115.700 0.051 0.000 2.579 36 S HA 0.035 4.505 4.470 0.001 0.000 0.275 36 S C 1.248 175.887 174.600 0.065 0.000 1.345 36 S CA -0.400 57.835 58.200 0.058 0.000 1.031 36 S CB 1.850 65.103 63.200 0.088 0.000 0.892 36 S HN -0.120 nan 8.310 nan 0.000 0.529 37 E N 1.738 121.962 120.200 0.040 0.000 2.150 37 E HA -0.145 4.205 4.350 0.001 0.000 0.193 37 E C 2.032 178.671 176.600 0.066 0.000 0.985 37 E CA 1.316 57.739 56.400 0.038 0.000 0.814 37 E CB -0.422 29.283 29.700 0.007 0.000 0.752 37 E HN 0.792 nan 8.360 nan 0.000 0.466 38 Q N -0.172 119.665 119.800 0.061 0.000 2.046 38 Q HA -0.063 4.277 4.340 0.001 0.000 0.200 38 Q C 2.218 178.425 176.000 0.344 0.000 0.975 38 Q CA 1.868 57.726 55.803 0.091 0.000 0.836 38 Q CB -0.518 28.144 28.738 -0.127 0.000 0.896 38 Q HN 0.165 nan 8.270 nan 0.000 0.428 39 T N 0.689 115.450 114.554 0.344 0.000 2.821 39 T HA -0.081 4.269 4.350 0.001 0.000 0.267 39 T C 1.483 176.334 174.700 0.252 0.000 1.046 39 T CA 1.142 63.429 62.100 0.312 0.000 1.139 39 T CB -0.081 68.882 68.868 0.159 0.000 0.871 39 T HN 0.204 nan 8.240 nan 0.000 0.454 40 K N 1.345 121.846 120.400 0.169 0.000 2.026 40 K HA 0.026 4.346 4.320 0.001 0.000 0.208 40 K C 2.664 179.345 176.600 0.136 0.000 1.048 40 K CA 1.258 57.617 56.287 0.121 0.000 0.929 40 K CB -0.285 32.260 32.500 0.076 0.000 0.713 40 K HN 0.264 nan 8.250 nan 0.000 0.439 41 A N 0.994 123.907 122.820 0.154 0.000 1.933 41 A HA -0.171 4.150 4.320 0.001 0.000 0.218 41 A C 1.998 179.687 177.584 0.174 0.000 1.175 41 A CA 1.133 53.251 52.037 0.135 0.000 0.628 41 A CB -0.665 18.407 19.000 0.119 0.000 0.814 41 A HN 0.379 nan 8.150 nan 0.000 0.444 42 F N 0.702 120.726 119.950 0.123 0.000 2.102 42 F HA -0.157 4.370 4.527 0.001 0.000 0.298 42 F C 2.189 178.012 175.800 0.037 0.000 1.105 42 F CA 2.059 60.128 58.000 0.116 0.000 1.239 42 F CB -0.317 38.784 39.000 0.168 0.000 0.991 42 F HN 0.025 nan 8.300 nan 0.000 0.474 43 V N 0.523 120.559 119.914 0.204 0.000 2.343 43 V HA -0.264 3.857 4.120 0.001 0.000 0.247 43 V C 2.518 178.571 176.094 -0.069 0.000 1.051 43 V CA 2.164 64.490 62.300 0.044 0.000 1.036 43 V CB -0.688 31.190 31.823 0.093 0.000 0.654 43 V HN 0.320 nan 8.190 nan 0.000 0.451 44 E N 0.242 120.429 120.200 -0.021 0.000 2.058 44 E HA -0.208 4.143 4.350 0.001 0.000 0.194 44 E C 2.348 178.907 176.600 -0.068 0.000 0.997 44 E CA 1.670 58.050 56.400 -0.032 0.000 0.801 44 E CB -0.403 29.299 29.700 0.003 0.000 0.746 44 E HN 0.554 nan 8.360 nan 0.000 0.450 45 A N 1.031 123.797 122.820 -0.091 0.000 1.930 45 A HA -0.180 4.140 4.320 0.001 0.000 0.217 45 A C 2.093 179.572 177.584 -0.175 0.000 1.175 45 A CA 1.171 53.143 52.037 -0.110 0.000 0.627 45 A CB -0.279 18.666 19.000 -0.092 0.000 0.815 45 A HN 0.142 nan 8.150 nan 0.000 0.443 46 Q N 0.097 119.720 119.800 -0.295 0.000 2.046 46 Q HA -0.119 4.221 4.340 0.001 0.000 0.200 46 Q C 1.694 177.581 176.000 -0.187 0.000 0.975 46 Q CA 1.379 56.998 55.803 -0.306 0.000 0.836 46 Q CB -0.564 27.901 28.738 -0.455 0.000 0.896 46 Q HN 0.628 nan 8.270 nan 0.000 0.428 47 N N 1.142 119.753 118.700 -0.148 0.000 2.289 47 N HA -0.150 4.591 4.740 0.001 0.000 0.184 47 N C 1.602 177.083 175.510 -0.049 0.000 1.016 47 N CA 1.017 54.019 53.050 -0.080 0.000 0.872 47 N CB -0.147 38.286 38.487 -0.091 0.000 0.973 47 N HN 0.148 nan 8.380 nan 0.000 0.433 48 K N 1.728 122.088 120.400 -0.067 0.000 2.103 48 K HA -0.061 4.259 4.320 0.001 0.000 0.207 48 K C 1.823 178.385 176.600 -0.063 0.000 1.048 48 K CA 1.066 57.325 56.287 -0.045 0.000 0.930 48 K CB -0.214 32.262 32.500 -0.040 0.000 0.716 48 K HN 0.436 nan 8.250 nan 0.000 0.444 49 I N -3.825 116.666 120.570 -0.131 0.000 3.081 49 I HA 0.067 4.237 4.170 0.001 0.000 0.274 49 I C 1.478 177.425 176.117 -0.284 0.000 1.178 49 I CA 0.491 61.642 61.300 -0.249 0.000 1.460 49 I CB -0.464 37.281 38.000 -0.424 0.000 1.137 49 I HN -0.114 nan 8.210 nan 0.000 0.443 50 T N 1.959 116.399 114.554 -0.191 0.000 2.737 50 T HA -0.072 4.278 4.350 0.001 0.000 0.265 50 T C 2.133 176.857 174.700 0.041 0.000 1.038 50 T CA 1.860 63.900 62.100 -0.100 0.000 1.144 50 T CB -0.319 68.518 68.868 -0.052 0.000 0.866 50 T HN 0.195 nan 8.240 nan 0.000 0.434 51 V N 2.359 122.304 119.914 0.052 0.000 2.255 51 V HA -0.136 3.984 4.120 0.001 0.000 0.247 51 V C -0.465 175.669 176.094 0.066 0.000 1.051 51 V CA 1.838 64.176 62.300 0.063 0.000 1.018 51 V CB -1.708 30.156 31.823 0.069 0.000 0.641 51 V HN 0.369 nan 8.190 nan 0.000 0.445 52 P HA -0.156 nan 4.420 nan 0.000 0.220 52 P C 1.653 179.011 177.300 0.096 0.000 1.148 52 P CA 1.334 64.472 63.100 0.062 0.000 0.803 52 P CB -0.098 31.637 31.700 0.058 0.000 0.782 53 F N 0.024 119.971 119.950 -0.006 0.000 2.113 53 F HA -0.110 4.418 4.527 0.001 0.000 0.297 53 F C 1.900 177.745 175.800 0.075 0.000 1.103 53 F CA 1.403 59.433 58.000 0.050 0.000 1.248 53 F CB -0.684 38.332 39.000 0.027 0.000 0.999 53 F HN -0.270 nan 8.300 nan 0.000 0.475 54 L N -0.142 121.239 121.223 0.263 0.000 2.141 54 L HA -0.159 4.182 4.340 0.001 0.000 0.209 54 L C 1.864 178.751 176.870 0.029 0.000 1.094 54 L CA 1.483 56.424 54.840 0.168 0.000 0.763 54 L CB -0.583 41.553 42.059 0.129 0.000 0.908 54 L HN 0.190 nan 8.230 nan 0.000 0.437 55 E N -0.808 119.398 120.200 0.011 0.000 2.474 55 E HA -0.124 4.227 4.350 0.001 0.000 0.194 55 E C 1.831 178.408 176.600 -0.038 0.000 1.041 55 E CA -0.102 56.289 56.400 -0.014 0.000 0.874 55 E CB 0.227 29.926 29.700 -0.002 0.000 0.914 55 E HN 0.437 nan 8.360 nan 0.000 0.498 56 Q N 0.454 120.214 119.800 -0.067 0.000 2.061 56 Q HA -0.125 4.215 4.340 0.001 0.000 0.204 56 Q C 0.316 176.268 176.000 -0.080 0.000 0.984 56 Q CA 0.946 56.702 55.803 -0.078 0.000 0.846 56 Q CB 0.137 28.804 28.738 -0.118 0.000 0.902 56 Q HN 0.229 nan 8.270 nan 0.000 0.421 57 C N 2.094 121.334 119.300 -0.100 0.000 2.514 57 C HA 0.195 4.655 4.460 0.001 0.000 0.392 57 C C -1.142 173.811 174.990 -0.061 0.000 1.294 57 C CA -1.446 57.527 59.018 -0.075 0.000 1.957 57 C CB 0.728 28.422 27.740 -0.077 0.000 2.541 57 C HN 0.481 nan 8.230 nan 0.000 0.569 58 P HA -0.143 nan 4.420 nan 0.000 0.220 58 P C 1.379 178.602 177.300 -0.129 0.000 1.144 58 P CA 1.167 64.219 63.100 -0.081 0.000 0.800 58 P CB -0.062 31.595 31.700 -0.072 0.000 0.772 59 I N -0.603 119.905 120.570 -0.103 0.000 2.567 59 I HA -0.237 3.934 4.170 0.001 0.000 0.257 59 I C 2.549 178.586 176.117 -0.133 0.000 1.184 59 I CA 1.077 62.289 61.300 -0.146 0.000 1.451 59 I CB -0.061 37.955 38.000 0.027 0.000 1.089 59 I HN -0.169 nan 8.210 nan 0.000 0.441 60 R N 0.482 120.946 120.500 -0.061 0.000 2.081 60 R HA -0.138 4.203 4.340 0.001 0.000 0.235 60 R C 2.234 178.508 176.300 -0.043 0.000 1.131 60 R CA 1.609 57.700 56.100 -0.016 0.000 0.960 60 R CB -0.611 29.683 30.300 -0.009 0.000 0.856 60 R HN 0.473 nan 8.270 nan 0.000 0.436 61 G N 0.841 109.582 108.800 -0.098 0.000 2.408 61 G HA2 -0.206 3.754 3.960 0.001 0.000 0.217 61 G HA3 -0.206 3.754 3.960 0.001 0.000 0.217 61 G C 1.452 176.226 174.900 -0.209 0.000 1.150 61 G CA 0.456 45.487 45.100 -0.114 0.000 0.776 61 G HN 0.221 nan 8.290 nan 0.000 0.542 62 L N -1.148 119.840 121.223 -0.391 0.000 2.017 62 L HA -0.060 4.281 4.340 0.001 0.000 0.208 62 L C 2.550 178.963 176.870 -0.762 0.000 1.073 62 L CA 1.258 55.657 54.840 -0.734 0.000 0.745 62 L CB -0.454 40.781 42.059 -1.373 0.000 0.894 62 L HN 0.275 nan 8.230 nan 0.000 0.432 63 Y N 0.938 120.806 120.300 -0.719 0.000 2.145 63 Y HA -0.322 4.228 4.550 0.001 0.000 0.286 63 Y C 2.749 178.591 175.900 -0.097 0.000 1.145 63 Y CA 1.991 59.928 58.100 -0.271 0.000 1.148 63 Y CB -0.125 38.331 38.460 -0.008 0.000 0.981 63 Y HN 0.018 nan 8.280 nan 0.000 0.507 64 K N 0.384 120.857 120.400 0.121 0.000 2.063 64 K HA -0.290 4.030 4.320 0.001 0.000 0.208 64 K C 2.213 178.802 176.600 -0.019 0.000 1.048 64 K CA 1.980 58.321 56.287 0.090 0.000 0.928 64 K CB -0.332 32.205 32.500 0.061 0.000 0.713 64 K HN 0.548 nan 8.250 nan 0.000 0.442 65 E N 0.139 120.293 120.200 -0.078 0.000 2.051 65 E HA -0.251 4.099 4.350 0.001 0.000 0.192 65 E C 2.147 178.705 176.600 -0.070 0.000 0.991 65 E CA 1.080 57.438 56.400 -0.071 0.000 0.799 65 E CB -0.025 29.616 29.700 -0.097 0.000 0.748 65 E HN 0.118 nan 8.360 nan 0.000 0.449 66 R N 0.230 120.655 120.500 -0.124 0.000 2.092 66 R HA -0.104 4.237 4.340 0.001 0.000 0.231 66 R C 2.200 178.434 176.300 -0.111 0.000 1.119 66 R CA 1.652 57.686 56.100 -0.110 0.000 0.970 66 R CB -0.468 29.756 30.300 -0.127 0.000 0.864 66 R HN 0.281 nan 8.270 nan 0.000 0.440 67 M N -0.417 119.070 119.600 -0.188 0.000 2.132 67 M HA -0.071 4.409 4.480 0.001 0.000 0.263 67 M C 1.638 177.966 176.300 0.046 0.000 1.065 67 M CA 2.019 57.250 55.300 -0.115 0.000 1.122 67 M CB -0.534 32.000 32.600 -0.109 0.000 1.365 67 M HN 0.131 nan 8.290 nan 0.000 0.411 68 T N 0.182 114.761 114.554 0.042 0.000 2.788 68 T HA -0.169 4.182 4.350 0.001 0.000 0.268 68 T C 1.700 176.460 174.700 0.099 0.000 1.044 68 T CA 1.707 63.859 62.100 0.087 0.000 1.139 68 T CB -0.295 68.603 68.868 0.050 0.000 0.867 68 T HN 0.590 nan 8.240 nan 0.000 0.454 69 E N 0.740 120.980 120.200 0.068 0.000 2.016 69 E HA -0.050 4.300 4.350 0.001 0.000 0.190 69 E C 2.176 178.848 176.600 0.120 0.000 0.985 69 E CA 0.770 57.215 56.400 0.075 0.000 0.802 69 E CB -0.153 29.576 29.700 0.048 0.000 0.762 69 E HN 0.402 nan 8.360 nan 0.000 0.448 70 L N 0.036 121.336 121.223 0.128 0.000 2.141 70 L HA -0.158 4.182 4.340 0.001 0.000 0.209 70 L C 2.478 179.549 176.870 0.335 0.000 1.094 70 L CA 0.846 55.794 54.840 0.179 0.000 0.763 70 L CB -0.373 41.760 42.059 0.125 0.000 0.908 70 L HN 0.283 nan 8.230 nan 0.000 0.437 71 Y N 0.490 120.896 120.300 0.178 0.000 2.561 71 Y HA -0.097 4.454 4.550 0.001 0.000 0.291 71 Y C 1.036 177.031 175.900 0.157 0.000 1.141 71 Y CA 0.150 58.386 58.100 0.227 0.000 1.303 71 Y CB -0.208 38.310 38.460 0.097 0.000 1.015 71 Y HN 0.086 nan 8.280 nan 0.000 0.547 72 D N 1.189 121.678 120.400 0.148 0.000 2.545 72 D HA 0.057 4.698 4.640 0.001 0.000 0.227 72 D C -1.258 175.098 176.300 0.093 0.000 1.150 72 D CA 0.216 54.229 54.000 0.022 0.000 1.046 72 D CB -1.189 39.645 40.800 0.057 0.000 1.098 72 D HN 0.346 nan 8.370 nan 0.000 0.502 73 Y N -0.065 120.171 120.300 -0.107 0.000 2.534 73 Y HA 0.625 5.176 4.550 0.001 0.000 0.345 73 Y C -2.944 172.914 175.900 -0.070 0.000 1.031 73 Y CA -2.892 55.178 58.100 -0.050 0.000 1.022 73 Y CB 0.736 39.190 38.460 -0.009 0.000 1.292 73 Y HN -0.067 nan 8.280 nan 0.000 0.459 74 P HA 0.129 nan 4.420 nan 0.000 0.267 74 P C -1.435 175.871 177.300 0.010 0.000 1.209 74 P CA 0.004 63.132 63.100 0.046 0.000 0.763 74 P CB 0.965 32.813 31.700 0.247 0.000 0.816 75 K N 3.545 123.840 120.400 -0.174 0.000 2.394 75 K HA 0.447 4.767 4.320 0.001 0.000 0.260 75 K C -0.685 175.931 176.600 0.027 0.000 0.967 75 K CA -0.434 55.815 56.287 -0.063 0.000 0.855 75 K CB 1.205 33.574 32.500 -0.219 0.000 1.101 75 K HN 0.361 nan 8.250 nan 0.000 0.433 76 Y N 0.119 120.569 120.300 0.250 0.000 2.528 76 Y HA 0.406 4.957 4.550 0.001 0.000 0.335 76 Y C 0.753 176.818 175.900 0.276 0.000 1.093 76 Y CA -0.737 57.536 58.100 0.288 0.000 1.134 76 Y CB 2.047 40.592 38.460 0.141 0.000 1.253 76 Y HN 0.606 nan 8.280 nan 0.000 0.478 77 S N -0.275 115.748 115.700 0.538 0.000 2.718 77 S HA 0.549 5.019 4.470 0.001 0.000 0.300 77 S C -0.534 174.306 174.600 0.400 0.000 1.117 77 S CA -0.902 57.568 58.200 0.450 0.000 1.002 77 S CB 0.922 64.463 63.200 0.569 0.000 1.092 77 S HN 0.696 nan 8.310 nan 0.000 0.542 78 C N 1.985 121.479 119.300 0.325 0.000 2.676 78 C HA 0.322 4.783 4.460 0.001 0.000 0.416 78 C C 0.836 175.909 174.990 0.138 0.000 1.299 78 C CA 0.033 59.166 59.018 0.192 0.000 2.048 78 C CB -1.387 26.475 27.740 0.203 0.000 2.713 78 C HN 0.872 nan 8.230 nan 0.000 0.624 79 H N 1.151 119.890 119.070 -0.552 0.000 2.690 79 H HA 0.486 5.043 4.556 0.001 0.000 0.365 79 H C -0.202 174.950 175.328 -0.293 0.000 1.142 79 H CA 0.641 56.340 56.048 -0.583 0.000 1.417 79 H CB 0.305 29.283 29.762 -1.307 0.000 1.446 79 H HN 0.557 nan 8.280 nan 0.000 0.599 80 F N -0.787 119.149 119.950 -0.023 0.000 2.596 80 F HA 0.468 4.995 4.527 0.001 0.000 0.311 80 F C -0.920 174.889 175.800 0.015 0.000 1.116 80 F CA -1.258 56.761 58.000 0.032 0.000 0.957 80 F CB 1.194 40.224 39.000 0.051 0.000 1.250 80 F HN 0.241 nan 8.300 nan 0.000 0.444 81 K N 2.791 123.212 120.400 0.035 0.000 2.156 81 K HA 0.509 4.830 4.320 0.001 0.000 0.271 81 K C -1.105 175.418 176.600 -0.129 0.000 0.995 81 K CA -0.802 55.313 56.287 -0.286 0.000 0.890 81 K CB 0.911 33.097 32.500 -0.525 0.000 1.073 81 K HN 0.609 nan 8.250 nan 0.000 0.454 82 K N 2.564 122.846 120.400 -0.197 0.000 2.579 82 K HA 0.285 4.605 4.320 0.001 0.000 0.250 82 K C 0.057 176.567 176.600 -0.151 0.000 0.952 82 K CA -0.149 56.001 56.287 -0.228 0.000 0.857 82 K CB 1.401 33.476 32.500 -0.707 0.000 1.123 82 K HN 0.957 nan 8.250 nan 0.000 0.433 83 G N 3.850 112.583 108.800 -0.112 0.000 2.556 83 G HA2 -0.395 3.566 3.960 0.001 0.000 0.283 83 G HA3 -0.395 3.566 3.960 0.001 0.000 0.283 83 G C 0.282 175.107 174.900 -0.124 0.000 1.177 83 G CA 0.565 45.615 45.100 -0.085 0.000 0.978 83 G HN 0.642 nan 8.290 nan 0.000 0.554 84 K N 0.767 121.099 120.400 -0.113 0.000 2.446 84 K HA 0.410 4.731 4.320 0.001 0.000 0.203 84 K C 0.759 177.246 176.600 -0.188 0.000 1.027 84 K CA 0.026 56.235 56.287 -0.131 0.000 1.166 84 K CB 0.376 32.830 32.500 -0.077 0.000 0.869 84 K HN 0.544 nan 8.250 nan 0.000 0.504 85 R N 0.298 120.638 120.500 -0.267 0.000 2.795 85 R HA 0.362 4.703 4.340 0.001 0.000 0.275 85 R C -1.368 174.587 176.300 -0.576 0.000 0.981 85 R CA -0.871 54.989 56.100 -0.400 0.000 0.917 85 R CB 1.156 31.139 30.300 -0.529 0.000 1.202 85 R HN -0.009 nan 8.270 nan 0.000 0.469 86 Y N 0.642 120.598 120.300 -0.572 0.000 2.387 86 Y HA 0.477 5.028 4.550 0.001 0.000 0.330 86 Y C -0.358 174.931 175.900 -1.019 0.000 1.133 86 Y CA -0.231 57.547 58.100 -0.538 0.000 1.152 86 Y CB 1.193 39.516 38.460 -0.229 0.000 1.215 86 Y HN 0.354 nan 8.280 nan 0.000 0.466 87 F N 1.741 121.228 119.950 -0.772 0.000 2.588 87 F HA 0.611 5.138 4.527 0.001 0.000 0.314 87 F C -1.044 174.152 175.800 -1.007 0.000 1.069 87 F CA -1.385 55.979 58.000 -1.061 0.000 0.931 87 F CB 1.916 40.010 39.000 -1.510 0.000 1.260 87 F HN 0.402 nan 8.300 nan 0.000 0.465 88 Y N -0.838 119.127 120.300 -0.560 0.000 2.573 88 Y HA 0.674 5.225 4.550 0.001 0.000 0.328 88 Y C -2.157 173.698 175.900 -0.075 0.000 1.170 88 Y CA -2.211 55.730 58.100 -0.266 0.000 1.078 88 Y CB 0.546 38.753 38.460 -0.421 0.000 1.341 88 Y HN 0.392 nan 8.280 nan 0.000 0.459 89 F N 3.029 123.206 119.950 0.379 0.000 2.379 89 F HA 0.601 5.129 4.527 0.001 0.000 0.332 89 F C -0.502 175.585 175.800 0.477 0.000 1.096 89 F CA -0.336 57.863 58.000 0.331 0.000 1.105 89 F CB 1.343 40.508 39.000 0.274 0.000 1.189 89 F HN 0.609 nan 8.300 nan 0.000 0.515 90 Y N 3.028 123.565 120.300 0.396 0.000 2.436 90 Y HA 0.357 4.908 4.550 0.001 0.000 0.327 90 Y C -1.828 174.115 175.900 0.072 0.000 1.138 90 Y CA -1.652 56.524 58.100 0.127 0.000 1.042 90 Y CB 1.292 39.772 38.460 0.034 0.000 1.302 90 Y HN 0.591 nan 8.280 nan 0.000 0.439 91 N N 3.077 121.499 118.700 -0.465 0.000 2.399 91 N HA 0.184 4.925 4.740 0.001 0.000 0.280 91 N C 0.556 175.549 175.510 -0.862 0.000 1.008 91 N CA 0.335 53.060 53.050 -0.541 0.000 0.894 91 N CB 2.027 40.343 38.487 -0.286 0.000 1.273 91 N HN 0.861 nan 8.380 nan 0.000 0.486 92 T N 0.329 114.362 114.554 -0.868 0.000 2.897 92 T HA 0.081 4.431 4.350 0.001 0.000 0.271 92 T C 1.173 175.693 174.700 -0.298 0.000 1.084 92 T CA 1.530 63.285 62.100 -0.574 0.000 1.123 92 T CB 0.082 68.766 68.868 -0.307 0.000 0.865 92 T HN 0.652 nan 8.240 nan 0.000 0.496 93 G N 0.776 109.382 108.800 -0.323 0.000 4.373 93 G HA2 0.043 4.003 3.960 0.001 0.000 0.195 93 G HA3 0.043 4.003 3.960 0.001 0.000 0.195 93 G C 0.549 175.281 174.900 -0.280 0.000 1.377 93 G CA -0.073 44.844 45.100 -0.304 0.000 0.858 93 G HN 0.432 nan 8.290 nan 0.000 0.307 94 L N 1.724 122.856 121.223 -0.151 0.000 3.122 94 L HA 0.393 4.734 4.340 0.001 0.000 0.274 94 L C 0.646 177.491 176.870 -0.041 0.000 1.222 94 L CA -0.143 54.663 54.840 -0.057 0.000 1.028 94 L CB 0.862 42.919 42.059 -0.003 0.000 1.386 94 L HN 0.213 nan 8.230 nan 0.000 0.578 95 Q N 0.385 120.133 119.800 -0.087 0.000 2.364 95 Q HA 0.043 4.383 4.340 0.001 0.000 0.267 95 Q C 0.590 176.574 176.000 -0.026 0.000 0.999 95 Q CA -0.274 55.491 55.803 -0.063 0.000 0.886 95 Q CB 0.916 29.595 28.738 -0.098 0.000 1.243 95 Q HN 0.161 nan 8.270 nan 0.000 0.415 96 N N 0.877 119.573 118.700 -0.007 0.000 2.149 96 N HA -0.125 4.616 4.740 0.001 0.000 0.188 96 N C -0.175 175.343 175.510 0.014 0.000 1.019 96 N CA 1.323 54.381 53.050 0.013 0.000 0.857 96 N CB 0.320 38.814 38.487 0.011 0.000 0.997 96 N HN 0.483 nan 8.380 nan 0.000 0.426 97 Q N 0.224 120.024 119.800 0.000 0.000 2.397 97 Q HA 0.256 4.596 4.340 0.001 0.000 0.275 97 Q C -0.383 175.620 176.000 0.005 0.000 1.090 97 Q CA -0.582 55.227 55.803 0.010 0.000 0.809 97 Q CB 2.668 31.416 28.738 0.017 0.000 1.362 97 Q HN 0.343 nan 8.270 nan 0.000 0.431 98 R N -0.495 120.024 120.500 0.031 0.000 2.641 98 R HA 0.532 4.872 4.340 0.001 0.000 0.269 98 R C -0.421 175.970 176.300 0.153 0.000 1.074 98 R CA -0.454 55.692 56.100 0.076 0.000 1.133 98 R CB 0.248 30.621 30.300 0.123 0.000 1.029 98 R HN 0.187 nan 8.270 nan 0.000 0.488 99 V N 3.151 123.156 119.914 0.151 0.000 2.547 99 V HA 0.223 4.343 4.120 0.001 0.000 0.299 99 V C -0.316 175.799 176.094 0.037 0.000 1.040 99 V CA -1.105 61.214 62.300 0.031 0.000 0.913 99 V CB 1.477 33.199 31.823 -0.169 0.000 0.992 99 V HN 0.598 nan 8.190 nan 0.000 0.449 100 L N 5.390 126.499 121.223 -0.190 0.000 2.265 100 L HA 0.514 4.854 4.340 0.001 0.000 0.288 100 L C -0.936 175.658 176.870 -0.460 0.000 1.058 100 L CA 0.267 54.832 54.840 -0.459 0.000 0.809 100 L CB 0.177 41.955 42.059 -0.468 0.000 1.179 100 L HN 0.523 nan 8.230 nan 0.000 0.429 101 Y N 3.526 123.490 120.300 -0.559 0.000 2.496 101 Y HA 0.711 5.262 4.550 0.001 0.000 0.331 101 Y C -0.109 175.392 175.900 -0.665 0.000 1.140 101 Y CA -0.508 57.235 58.100 -0.596 0.000 1.166 101 Y CB 2.022 39.914 38.460 -0.947 0.000 1.249 101 Y HN 0.403 nan 8.280 nan 0.000 0.479 102 V N 2.622 122.305 119.914 -0.385 0.000 2.925 102 V HA 0.611 4.731 4.120 0.001 0.000 0.311 102 V C -1.780 174.070 176.094 -0.406 0.000 1.104 102 V CA -0.468 61.408 62.300 -0.707 0.000 0.954 102 V CB 2.016 33.340 31.823 -0.832 0.000 1.022 102 V HN 0.898 nan 8.190 nan 0.000 0.427 103 Q N 3.064 122.610 119.800 -0.423 0.000 2.340 103 Q HA 0.507 4.847 4.340 0.001 0.000 0.276 103 Q C -1.043 174.849 176.000 -0.179 0.000 1.048 103 Q CA -0.867 54.823 55.803 -0.188 0.000 0.832 103 Q CB 2.200 30.910 28.738 -0.045 0.000 1.373 103 Q HN 0.575 nan 8.270 nan 0.000 0.409 104 D N 1.079 121.411 120.400 -0.113 0.000 2.347 104 D HA -0.008 4.633 4.640 0.001 0.000 0.215 104 D C 0.119 176.428 176.300 0.016 0.000 0.976 104 D CA 1.199 55.151 54.000 -0.079 0.000 0.884 104 D CB 0.491 41.249 40.800 -0.069 0.000 0.915 104 D HN 0.622 nan 8.370 nan 0.000 0.526 105 S N -1.116 114.615 115.700 0.051 0.000 2.565 105 S HA 0.215 4.685 4.470 0.001 0.000 0.269 105 S C 0.333 174.910 174.600 -0.039 0.000 1.153 105 S CA -0.785 57.467 58.200 0.088 0.000 0.835 105 S CB 1.515 64.730 63.200 0.025 0.000 1.122 105 S HN -0.123 nan 8.310 nan 0.000 0.462 106 L N 1.303 122.401 121.223 -0.209 0.000 2.127 106 L HA 0.090 4.430 4.340 0.001 0.000 0.211 106 L C 2.118 178.866 176.870 -0.203 0.000 1.089 106 L CA 1.986 56.586 54.840 -0.400 0.000 0.757 106 L CB -0.699 41.077 42.059 -0.472 0.000 0.899 106 L HN 0.906 nan 8.230 nan 0.000 0.434 107 E N -1.290 118.832 120.200 -0.130 0.000 2.447 107 E HA 0.142 4.492 4.350 0.001 0.000 0.195 107 E C 1.079 177.630 176.600 -0.081 0.000 1.028 107 E CA 0.247 56.582 56.400 -0.108 0.000 0.876 107 E CB -0.015 29.634 29.700 -0.084 0.000 0.885 107 E HN 0.491 nan 8.360 nan 0.000 0.500 108 G N 1.533 110.296 108.800 -0.062 0.000 2.606 108 G HA2 -0.041 3.919 3.960 0.001 0.000 0.252 108 G HA3 -0.041 3.919 3.960 0.001 0.000 0.252 108 G C -0.409 174.468 174.900 -0.038 0.000 1.206 108 G CA -0.480 44.594 45.100 -0.044 0.000 0.861 108 G HN 0.072 nan 8.290 nan 0.000 0.561 109 E N 0.165 120.348 120.200 -0.029 0.000 2.366 109 E HA 0.390 4.741 4.350 0.001 0.000 0.266 109 E C 0.441 177.042 176.600 0.001 0.000 1.015 109 E CA -0.471 55.920 56.400 -0.015 0.000 0.906 109 E CB 0.522 30.216 29.700 -0.011 0.000 0.979 109 E HN 0.517 nan 8.360 nan 0.000 0.443 110 A N 5.165 128.004 122.820 0.032 0.000 2.302 110 A HA 0.510 4.830 4.320 0.001 0.000 0.285 110 A C -0.268 177.383 177.584 0.112 0.000 1.105 110 A CA -0.548 51.531 52.037 0.070 0.000 0.816 110 A CB 0.588 19.678 19.000 0.150 0.000 1.067 110 A HN 0.811 nan 8.150 nan 0.000 0.489 111 R N 0.397 120.963 120.500 0.111 0.000 2.808 111 R HA 0.646 4.986 4.340 0.001 0.000 0.272 111 R C -1.649 174.675 176.300 0.040 0.000 0.995 111 R CA -0.858 55.306 56.100 0.106 0.000 0.917 111 R CB 1.078 31.392 30.300 0.023 0.000 1.217 111 R HN 0.294 nan 8.270 nan 0.000 0.471 112 V N 2.944 122.801 119.914 -0.095 0.000 2.529 112 V HA -0.013 4.107 4.120 0.001 0.000 0.292 112 V C 0.309 176.285 176.094 -0.196 0.000 1.028 112 V CA 0.465 62.538 62.300 -0.379 0.000 1.074 112 V CB 0.179 31.806 31.823 -0.326 0.000 0.958 112 V HN 0.735 nan 8.190 nan 0.000 0.481 113 F N 5.736 125.443 119.950 -0.405 0.000 2.419 113 F HA 0.465 4.993 4.527 0.001 0.000 0.283 113 F C 0.306 175.922 175.800 -0.308 0.000 1.044 113 F CA 0.280 58.102 58.000 -0.296 0.000 1.376 113 F CB 0.622 39.468 39.000 -0.257 0.000 1.131 113 F HN 0.355 nan 8.300 nan 0.000 0.585 114 L N 1.363 122.360 121.223 -0.376 0.000 2.541 114 L HA 0.368 4.709 4.340 0.001 0.000 0.266 114 L C -1.840 174.865 176.870 -0.274 0.000 0.966 114 L CA -0.366 54.228 54.840 -0.410 0.000 0.871 114 L CB 1.151 42.954 42.059 -0.426 0.000 1.232 114 L HN -0.021 nan 8.230 nan 0.000 0.408 115 D N 6.236 126.494 120.400 -0.237 0.000 2.472 115 D HA 0.470 5.111 4.640 0.001 0.000 0.234 115 D C -2.033 174.205 176.300 -0.103 0.000 1.088 115 D CA -2.047 51.852 54.000 -0.167 0.000 0.882 115 D CB 2.054 42.752 40.800 -0.170 0.000 1.037 115 D HN 0.304 nan 8.370 nan 0.000 0.520 116 P HA -0.026 nan 4.420 nan 0.000 0.223 116 P C 1.083 178.373 177.300 -0.017 0.000 1.151 116 P CA 0.449 63.537 63.100 -0.020 0.000 0.787 116 P CB 0.342 32.053 31.700 0.018 0.000 0.788 117 N N 0.351 119.034 118.700 -0.029 0.000 2.205 117 N HA -0.129 4.611 4.740 0.001 0.000 0.186 117 N C 1.643 177.139 175.510 -0.024 0.000 1.015 117 N CA 1.275 54.311 53.050 -0.024 0.000 0.862 117 N CB -0.480 37.987 38.487 -0.033 0.000 0.986 117 N HN 0.340 nan 8.380 nan 0.000 0.429 118 I N -1.849 118.701 120.570 -0.033 0.000 3.444 118 I HA 0.008 4.179 4.170 0.001 0.000 0.287 118 I C 1.416 177.522 176.117 -0.017 0.000 1.302 118 I CA 0.540 61.823 61.300 -0.028 0.000 1.368 118 I CB -0.272 37.704 38.000 -0.039 0.000 1.048 118 I HN -0.059 nan 8.210 nan 0.000 0.487 119 L N 1.287 122.503 121.223 -0.011 0.000 2.492 119 L HA 0.168 4.508 4.340 0.001 0.000 0.223 119 L C 0.591 177.462 176.870 0.001 0.000 1.132 119 L CA 0.273 55.114 54.840 0.001 0.000 0.850 119 L CB -0.338 41.730 42.059 0.015 0.000 0.966 119 L HN 0.556 nan 8.230 nan 0.000 0.454 120 S N -3.467 112.232 115.700 -0.002 0.000 2.542 120 S HA 0.218 4.688 4.470 0.001 0.000 0.276 120 S C -0.261 174.337 174.600 -0.003 0.000 1.148 120 S CA -0.879 57.320 58.200 -0.002 0.000 0.886 120 S CB 1.496 64.695 63.200 -0.002 0.000 1.109 120 S HN -0.092 nan 8.310 nan 0.000 0.458 121 D N 1.444 121.843 120.400 -0.002 0.000 2.219 121 D HA -0.028 4.612 4.640 0.001 0.000 0.205 121 D C 1.034 177.335 176.300 0.002 0.000 0.970 121 D CA 1.762 55.761 54.000 -0.001 0.000 0.851 121 D CB -0.106 40.694 40.800 0.001 0.000 0.943 121 D HN 0.842 nan 8.370 nan 0.000 0.488 122 D N -1.402 119.000 120.400 0.003 0.000 2.363 122 D HA 0.163 4.803 4.640 0.001 0.000 0.214 122 D C 1.381 177.685 176.300 0.007 0.000 1.093 122 D CA 0.378 54.382 54.000 0.006 0.000 0.837 122 D CB -0.169 40.635 40.800 0.008 0.000 0.948 122 D HN 0.100 nan 8.370 nan 0.000 0.507 123 G N 0.887 109.689 108.800 0.004 0.000 2.179 123 G HA2 -0.337 3.624 3.960 0.001 0.000 0.257 123 G HA3 -0.337 3.624 3.960 0.001 0.000 0.257 123 G C 0.952 175.857 174.900 0.007 0.000 1.010 123 G CA 0.956 46.060 45.100 0.006 0.000 0.736 123 G HN 0.596 nan 8.290 nan 0.000 0.513 124 T N -2.866 111.687 114.554 -0.000 0.000 3.129 124 T HA 0.465 4.815 4.350 0.001 0.000 0.251 124 T C 0.666 175.361 174.700 -0.007 0.000 1.117 124 T CA 0.485 62.580 62.100 -0.009 0.000 1.034 124 T CB 0.868 69.717 68.868 -0.031 0.000 0.968 124 T HN 0.567 nan 8.240 nan 0.000 0.526 125 V N 1.895 121.812 119.914 0.006 0.000 2.347 125 V HA 0.783 4.903 4.120 0.001 0.000 0.280 125 V C 0.128 176.243 176.094 0.034 0.000 1.021 125 V CA -0.850 61.462 62.300 0.019 0.000 0.847 125 V CB 0.646 32.481 31.823 0.021 0.000 0.990 125 V HN 0.668 nan 8.190 nan 0.000 0.444 126 A N 4.701 127.549 122.820 0.047 0.000 2.423 126 A HA 0.868 5.189 4.320 0.001 0.000 0.304 126 A C -1.002 176.635 177.584 0.089 0.000 1.104 126 A CA -0.775 51.297 52.037 0.059 0.000 0.757 126 A CB 1.545 20.573 19.000 0.047 0.000 1.313 126 A HN 0.780 nan 8.150 nan 0.000 0.423 127 L N 0.962 122.251 121.223 0.109 0.000 2.416 127 L HA 0.502 4.842 4.340 0.001 0.000 0.272 127 L C 0.534 177.485 176.870 0.135 0.000 1.161 127 L CA 0.733 55.671 54.840 0.164 0.000 0.845 127 L CB 0.283 42.464 42.059 0.203 0.000 1.119 127 L HN 0.684 nan 8.230 nan 0.000 0.464 128 R N 4.346 124.931 120.500 0.141 0.000 2.607 128 R HA 0.547 4.887 4.340 0.001 0.000 0.278 128 R C -0.614 175.750 176.300 0.105 0.000 1.637 128 R CA 0.183 56.345 56.100 0.103 0.000 1.325 128 R CB 0.387 30.728 30.300 0.068 0.000 1.211 128 R HN 1.055 nan 8.270 nan 0.000 0.565 129 G N 2.765 111.647 108.800 0.137 0.000 2.705 129 G HA2 -0.201 3.759 3.960 0.001 0.000 0.686 129 G HA3 -0.201 3.759 3.960 0.001 0.000 0.686 129 G C -1.453 173.552 174.900 0.176 0.000 1.285 129 G CA -0.241 44.905 45.100 0.076 0.000 0.800 129 G HN 0.741 nan 8.290 nan 0.000 0.611 130 Y N -2.518 117.812 120.300 0.051 0.000 2.702 130 Y HA 0.885 5.435 4.550 0.001 0.000 0.336 130 Y C -0.344 175.583 175.900 0.045 0.000 1.203 130 Y CA -1.002 57.073 58.100 -0.043 0.000 1.072 130 Y CB 0.814 39.310 38.460 0.061 0.000 1.327 130 Y HN 2.311 nan 8.280 nan 0.000 0.456 131 A N 1.911 124.829 122.820 0.164 0.000 2.491 131 A HA 0.705 5.025 4.320 0.001 0.000 0.293 131 A C -2.172 175.686 177.584 0.457 0.000 1.047 131 A CA -0.602 51.648 52.037 0.356 0.000 0.735 131 A CB 0.568 19.796 19.000 0.380 0.000 1.281 131 A HN 0.613 nan 8.150 nan 0.000 0.398 132 F N 1.819 122.027 119.950 0.431 0.000 2.377 132 F HA 0.510 5.038 4.527 0.001 0.000 0.328 132 F C 1.526 177.215 175.800 -0.185 0.000 1.094 132 F CA 0.442 58.570 58.000 0.213 0.000 1.093 132 F CB 1.781 40.869 39.000 0.146 0.000 1.214 132 F HN 0.684 nan 8.300 nan 0.000 0.518 133 S N 0.665 116.073 115.700 -0.487 0.000 2.589 133 S HA 0.034 4.505 4.470 0.001 0.000 0.265 133 S C 1.124 175.618 174.600 -0.177 0.000 1.342 133 S CA -0.487 57.243 58.200 -0.783 0.000 1.005 133 S CB 1.031 63.706 63.200 -0.875 0.000 0.909 133 S HN 0.725 nan 8.310 nan 0.000 0.555 134 E N 1.339 121.465 120.200 -0.123 0.000 2.097 134 E HA -0.234 4.116 4.350 0.001 0.000 0.196 134 E C 1.223 177.766 176.600 -0.096 0.000 1.000 134 E CA 2.108 58.409 56.400 -0.165 0.000 0.804 134 E CB -0.480 28.953 29.700 -0.444 0.000 0.740 134 E HN 0.877 nan 8.360 nan 0.000 0.454 135 D N -1.388 118.976 120.400 -0.060 0.000 2.349 135 D HA 0.068 4.708 4.640 0.001 0.000 0.224 135 D C 1.317 177.611 176.300 -0.010 0.000 1.029 135 D CA 0.806 54.793 54.000 -0.021 0.000 0.879 135 D CB -0.353 40.455 40.800 0.013 0.000 0.906 135 D HN 0.325 nan 8.370 nan 0.000 0.528 136 G N 0.493 109.292 108.800 -0.002 0.000 2.166 136 G HA2 -0.339 3.621 3.960 0.001 0.000 0.260 136 G HA3 -0.339 3.621 3.960 0.001 0.000 0.260 136 G C 0.917 175.872 174.900 0.090 0.000 0.986 136 G CA 0.511 45.636 45.100 0.041 0.000 0.683 136 G HN 0.395 nan 8.290 nan 0.000 0.527 137 E N -1.270 118.959 120.200 0.049 0.000 2.385 137 E HA 0.178 4.529 4.350 0.001 0.000 0.194 137 E C 0.259 176.723 176.600 -0.227 0.000 1.013 137 E CA 0.524 56.900 56.400 -0.040 0.000 0.866 137 E CB 0.269 29.957 29.700 -0.019 0.000 0.832 137 E HN 0.644 nan 8.360 nan 0.000 0.500 138 Y N -0.708 119.594 120.300 0.003 0.000 2.536 138 Y HA 0.440 4.990 4.550 0.001 0.000 0.347 138 Y C -0.737 175.235 175.900 0.120 0.000 1.000 138 Y CA -1.250 56.870 58.100 0.034 0.000 1.051 138 Y CB 1.659 40.025 38.460 -0.157 0.000 1.259 138 Y HN -0.212 nan 8.280 nan 0.000 0.468 139 F N 1.885 122.004 119.950 0.281 0.000 2.561 139 F HA 0.841 5.368 4.527 0.001 0.000 0.313 139 F C -1.240 174.755 175.800 0.324 0.000 1.126 139 F CA -0.950 57.112 58.000 0.103 0.000 0.918 139 F CB 1.174 40.122 39.000 -0.087 0.000 1.199 139 F HN 0.513 nan 8.300 nan 0.000 0.444 140 A N 5.412 128.026 122.820 -0.343 0.000 2.342 140 A HA 0.791 5.112 4.320 0.001 0.000 0.323 140 A C -2.080 174.973 177.584 -0.884 0.000 1.125 140 A CA -0.493 51.091 52.037 -0.754 0.000 0.785 140 A CB 0.743 19.351 19.000 -0.653 0.000 1.221 140 A HN 0.974 nan 8.150 nan 0.000 0.463 141 Y N -0.468 119.326 120.300 -0.844 0.000 2.513 141 Y HA 0.749 5.299 4.550 0.001 0.000 0.340 141 Y C 0.052 175.780 175.900 -0.286 0.000 1.055 141 Y CA -1.070 56.724 58.100 -0.510 0.000 1.020 141 Y CB 0.860 39.064 38.460 -0.427 0.000 1.301 141 Y HN 0.840 nan 8.280 nan 0.000 0.453 142 G N 3.060 111.820 108.800 -0.067 0.000 2.389 142 G HA2 0.631 4.592 3.960 0.001 0.000 0.317 142 G HA3 0.631 4.592 3.960 0.001 0.000 0.317 142 G C -1.566 173.366 174.900 0.054 0.000 1.137 142 G CA -1.049 44.003 45.100 -0.081 0.000 0.870 142 G HN 0.744 nan 8.290 nan 0.000 0.496 143 L N 1.190 122.420 121.223 0.012 0.000 2.362 143 L HA 0.503 4.844 4.340 0.001 0.000 0.275 143 L C -0.115 176.787 176.870 0.052 0.000 0.998 143 L CA -0.658 54.225 54.840 0.070 0.000 0.820 143 L CB 2.336 44.438 42.059 0.072 0.000 1.270 143 L HN 0.416 nan 8.230 nan 0.000 0.415 144 S N 1.628 117.367 115.700 0.064 0.000 2.482 144 S HA 0.780 5.251 4.470 0.001 0.000 0.303 144 S C -0.364 174.264 174.600 0.047 0.000 1.091 144 S CA -0.592 57.647 58.200 0.065 0.000 1.057 144 S CB 2.008 65.246 63.200 0.065 0.000 1.031 144 S HN 0.659 nan 8.310 nan 0.000 0.485 145 A N 1.529 124.373 122.820 0.040 0.000 2.317 145 A HA 0.735 5.055 4.320 0.001 0.000 0.327 145 A C 0.649 178.195 177.584 -0.063 0.000 1.178 145 A CA -0.578 51.455 52.037 -0.006 0.000 0.817 145 A CB 0.224 19.218 19.000 -0.010 0.000 1.189 145 A HN 1.200 nan 8.150 nan 0.000 0.489 146 S N 0.629 116.256 115.700 -0.122 0.000 3.521 146 S HA -0.174 4.296 4.470 0.001 0.000 0.328 146 S C 1.390 175.921 174.600 -0.115 0.000 1.165 146 S CA 1.849 59.903 58.200 -0.244 0.000 0.941 146 S CB -1.607 61.153 63.200 -0.734 0.000 0.951 146 S HN 2.802 nan 8.310 nan 0.000 0.539 147 G N -0.069 108.726 108.800 -0.009 0.000 2.179 147 G HA2 -0.319 3.641 3.960 0.001 0.000 0.260 147 G HA3 -0.319 3.641 3.960 0.001 0.000 0.260 147 G C 0.156 175.116 174.900 0.101 0.000 0.977 147 G CA 0.810 45.945 45.100 0.058 0.000 0.641 147 G HN 1.502 nan 8.290 nan 0.000 0.533 148 S N -0.282 115.485 115.700 0.112 0.000 2.579 148 S HA 0.375 4.845 4.470 0.001 0.000 0.275 148 S C 1.328 175.963 174.600 0.058 0.000 1.345 148 S CA 0.442 58.727 58.200 0.143 0.000 1.031 148 S CB 0.656 64.010 63.200 0.256 0.000 0.892 148 S HN 0.189 nan 8.310 nan 0.000 0.529 149 D N 2.117 122.478 120.400 -0.065 0.000 2.269 149 D HA 0.002 4.642 4.640 0.001 0.000 0.208 149 D C -0.060 176.079 176.300 -0.269 0.000 0.963 149 D CA 0.349 54.214 54.000 -0.226 0.000 0.864 149 D CB -0.011 40.521 40.800 -0.446 0.000 0.936 149 D HN 0.609 nan 8.370 nan 0.000 0.505 150 W N 0.845 122.080 121.300 -0.108 0.000 2.257 150 W HA 0.138 4.798 4.660 0.001 0.000 0.337 150 W C 0.277 176.762 176.519 -0.057 0.000 1.321 150 W CA -0.304 56.989 57.345 -0.085 0.000 1.267 150 W CB 0.635 30.072 29.460 -0.039 0.000 1.187 150 W HN -0.367 nan 8.180 nan 0.000 0.565 151 V N 2.912 122.982 119.914 0.260 0.000 2.823 151 V HA 0.472 4.593 4.120 0.001 0.000 0.312 151 V C -0.215 175.928 176.094 0.081 0.000 1.072 151 V CA -0.924 61.448 62.300 0.120 0.000 0.937 151 V CB 2.361 34.221 31.823 0.060 0.000 1.013 151 V HN 0.403 nan 8.190 nan 0.000 0.430 152 T N 4.995 119.546 114.554 -0.005 0.000 2.786 152 T HA 0.608 4.958 4.350 0.001 0.000 0.283 152 T C -0.351 174.239 174.700 -0.183 0.000 0.992 152 T CA -0.132 61.922 62.100 -0.078 0.000 0.954 152 T CB 0.763 69.586 68.868 -0.076 0.000 0.934 152 T HN 0.375 nan 8.240 nan 0.000 0.440 153 I N 3.852 124.266 120.570 -0.260 0.000 2.342 153 I HA 0.403 4.574 4.170 0.001 0.000 0.291 153 I C 0.454 176.263 176.117 -0.514 0.000 1.010 153 I CA -0.526 60.507 61.300 -0.445 0.000 1.308 153 I CB 0.961 38.672 38.000 -0.482 0.000 1.400 153 I HN 0.348 nan 8.210 nan 0.000 0.488 154 K N 5.225 125.127 120.400 -0.830 0.000 2.352 154 K HA 0.716 5.037 4.320 0.001 0.000 0.240 154 K C -1.393 174.725 176.600 -0.803 0.000 1.017 154 K CA -0.698 55.194 56.287 -0.657 0.000 0.851 154 K CB 2.251 34.358 32.500 -0.655 0.000 1.261 154 K HN 0.206 nan 8.250 nan 0.000 0.451 155 F N 0.601 120.447 119.950 -0.173 0.000 2.603 155 F HA 0.580 5.107 4.527 0.001 0.000 0.317 155 F C -0.220 175.749 175.800 0.281 0.000 1.066 155 F CA -0.805 57.259 58.000 0.107 0.000 0.941 155 F CB 1.825 40.922 39.000 0.161 0.000 1.291 155 F HN 0.168 nan 8.300 nan 0.000 0.472 156 M N 1.305 121.260 119.600 0.592 0.000 2.520 156 M HA 0.336 4.816 4.480 0.001 0.000 0.283 156 M C -1.165 175.377 176.300 0.402 0.000 1.237 156 M CA -0.820 54.741 55.300 0.434 0.000 0.885 156 M CB 3.086 35.893 32.600 0.346 0.000 1.727 156 M HN 0.477 nan 8.290 nan 0.000 0.468 157 K N 1.303 121.823 120.400 0.199 0.000 2.211 157 K HA 0.413 4.733 4.320 0.001 0.000 0.275 157 K C 0.254 176.870 176.600 0.027 0.000 1.024 157 K CA -0.358 55.857 56.287 -0.120 0.000 0.887 157 K CB 1.383 33.794 32.500 -0.148 0.000 1.084 157 K HN 0.603 nan 8.250 nan 0.000 0.463 158 V N 2.506 122.442 119.914 0.036 0.000 2.255 158 V HA -0.228 3.893 4.120 0.001 0.000 0.247 158 V C 0.723 176.922 176.094 0.176 0.000 1.051 158 V CA 1.705 64.161 62.300 0.260 0.000 1.018 158 V CB -0.536 31.395 31.823 0.181 0.000 0.641 158 V HN 0.895 nan 8.190 nan 0.000 0.445 159 D N 0.068 120.482 120.400 0.024 0.000 2.368 159 D HA 0.335 4.975 4.640 0.001 0.000 0.268 159 D C 1.081 177.400 176.300 0.032 0.000 1.298 159 D CA 1.164 55.172 54.000 0.012 0.000 0.938 159 D CB 0.031 40.816 40.800 -0.024 0.000 1.101 159 D HN 0.482 nan 8.370 nan 0.000 0.509 160 G N 3.179 112.009 108.800 0.050 0.000 2.176 160 G HA2 -0.139 3.822 3.960 0.001 0.000 0.253 160 G HA3 -0.139 3.822 3.960 0.001 0.000 0.253 160 G C 0.783 175.707 174.900 0.041 0.000 0.979 160 G CA 0.415 45.538 45.100 0.037 0.000 0.641 160 G HN 1.710 nan 8.290 nan 0.000 0.530 161 A N -1.240 121.636 122.820 0.093 0.000 2.560 161 A HA -0.113 4.207 4.320 0.001 0.000 0.299 161 A C 0.807 178.365 177.584 -0.043 0.000 1.484 161 A CA 2.084 54.116 52.037 -0.009 0.000 0.749 161 A CB -1.109 17.810 19.000 -0.134 0.000 1.072 161 A HN 0.914 nan 8.150 nan 0.000 0.426 162 K N 1.379 121.793 120.400 0.023 0.000 2.297 162 K HA 0.262 4.583 4.320 0.001 0.000 0.286 162 K C 0.311 176.959 176.600 0.080 0.000 1.053 162 K CA -0.220 56.092 56.287 0.042 0.000 0.940 162 K CB 0.657 33.192 32.500 0.058 0.000 1.019 162 K HN 0.558 nan 8.250 nan 0.000 0.475 163 E N 3.353 123.595 120.200 0.069 0.000 2.344 163 E HA 0.136 4.487 4.350 0.001 0.000 0.270 163 E C 0.301 176.982 176.600 0.135 0.000 1.021 163 E CA -0.123 56.343 56.400 0.111 0.000 0.887 163 E CB 0.775 30.521 29.700 0.077 0.000 0.997 163 E HN 0.343 nan 8.360 nan 0.000 0.429 164 L N 4.186 125.522 121.223 0.188 0.000 2.358 164 L HA 0.323 4.664 4.340 0.001 0.000 0.268 164 L C -1.015 175.928 176.870 0.121 0.000 1.032 164 L CA -1.765 53.178 54.840 0.172 0.000 0.805 164 L CB 1.079 43.284 42.059 0.244 0.000 1.253 164 L HN 0.334 nan 8.230 nan 0.000 0.452 165 P HA -0.009 nan 4.420 nan 0.000 0.231 165 P C -0.433 176.878 177.300 0.017 0.000 1.168 165 P CA 0.181 63.303 63.100 0.037 0.000 0.779 165 P CB -0.017 31.694 31.700 0.018 0.000 0.844 166 D N 0.505 120.912 120.400 0.011 0.000 2.487 166 D HA 0.197 4.838 4.640 0.001 0.000 0.243 166 D C -0.124 176.187 176.300 0.018 0.000 1.154 166 D CA 0.584 54.553 54.000 -0.051 0.000 0.876 166 D CB 0.536 41.166 40.800 -0.282 0.000 1.161 166 D HN -0.099 nan 8.370 nan 0.000 0.478 167 V N 3.300 123.152 119.914 -0.104 0.000 2.733 167 V HA 0.347 4.467 4.120 0.001 0.000 0.306 167 V C -0.488 175.467 176.094 -0.233 0.000 1.084 167 V CA -0.848 61.377 62.300 -0.125 0.000 0.905 167 V CB 1.654 33.418 31.823 -0.097 0.000 1.010 167 V HN 0.377 nan 8.190 nan 0.000 0.424 168 L N 4.229 125.289 121.223 -0.272 0.000 2.325 168 L HA 0.691 5.031 4.340 0.001 0.000 0.281 168 L C -0.153 176.603 176.870 -0.190 0.000 1.004 168 L CA -0.502 54.135 54.840 -0.337 0.000 0.823 168 L CB 1.896 43.582 42.059 -0.622 0.000 1.236 168 L HN 0.542 nan 8.230 nan 0.000 0.415 169 E N 2.918 123.049 120.200 -0.115 0.000 2.259 169 E HA 0.482 4.832 4.350 0.001 0.000 0.257 169 E C -0.035 176.587 176.600 0.037 0.000 0.998 169 E CA -0.752 55.615 56.400 -0.055 0.000 0.866 169 E CB 1.277 30.925 29.700 -0.087 0.000 1.220 169 E HN 0.368 nan 8.360 nan 0.000 0.415 170 R N -1.557 118.969 120.500 0.043 0.000 3.878 170 R HA -0.121 4.219 4.340 0.001 0.000 0.330 170 R C -0.433 176.156 176.300 0.483 0.000 1.186 170 R CA 0.234 56.443 56.100 0.182 0.000 0.885 170 R CB -2.780 27.609 30.300 0.148 0.000 1.377 170 R HN 0.229 nan 8.270 nan 0.000 0.523 171 V N 1.252 121.410 119.914 0.407 0.000 2.498 171 V HA 0.475 4.596 4.120 0.001 0.000 0.279 171 V C 0.610 176.915 176.094 0.351 0.000 1.048 171 V CA -0.016 62.509 62.300 0.375 0.000 0.967 171 V CB 1.916 33.877 31.823 0.230 0.000 0.988 171 V HN 0.168 nan 8.190 nan 0.000 0.473 172 K N 3.709 124.249 120.400 0.233 0.000 2.569 172 K HA 0.408 4.728 4.320 0.001 0.000 0.259 172 K C -1.103 175.490 176.600 -0.011 0.000 0.932 172 K CA -0.791 55.410 56.287 -0.143 0.000 0.833 172 K CB 1.118 33.286 32.500 -0.554 0.000 1.340 172 K HN 0.324 nan 8.250 nan 0.000 0.429 173 F N -0.184 119.831 119.950 0.109 0.000 2.943 173 F HA -0.228 4.300 4.527 0.001 0.000 0.258 173 F C 0.165 176.026 175.800 0.102 0.000 0.995 173 F CA 0.890 58.946 58.000 0.094 0.000 0.896 173 F CB -1.889 37.179 39.000 0.114 0.000 0.821 173 F HN 0.321 nan 8.300 nan 0.000 0.828 174 S N -0.308 115.516 115.700 0.207 0.000 2.593 174 S HA 0.753 5.224 4.470 0.001 0.000 0.297 174 S C 0.335 175.029 174.600 0.156 0.000 1.112 174 S CA -0.294 58.016 58.200 0.182 0.000 1.043 174 S CB 1.111 64.431 63.200 0.199 0.000 1.054 174 S HN 0.634 nan 8.310 nan 0.000 0.516 175 C N 3.565 122.963 119.300 0.163 0.000 2.403 175 C HA 0.802 5.262 4.460 0.001 0.000 0.361 175 C C -0.144 174.960 174.990 0.191 0.000 1.274 175 C CA -0.822 58.291 59.018 0.159 0.000 2.433 175 C CB -0.470 27.365 27.740 0.159 0.000 2.323 175 C HN 0.831 nan 8.230 nan 0.000 0.614 176 M N 2.234 121.944 119.600 0.184 0.000 2.215 176 M HA 0.507 4.988 4.480 0.001 0.000 0.251 176 M C -0.756 175.693 176.300 0.248 0.000 0.987 176 M CA 0.019 55.425 55.300 0.176 0.000 1.025 176 M CB 1.792 34.441 32.600 0.081 0.000 2.064 176 M HN 1.037 nan 8.290 nan 0.000 0.473 177 A N 3.004 126.020 122.820 0.326 0.000 2.414 177 A HA 0.722 5.043 4.320 0.001 0.000 0.286 177 A C -1.967 175.931 177.584 0.523 0.000 1.073 177 A CA -0.429 51.880 52.037 0.454 0.000 0.727 177 A CB 0.774 20.051 19.000 0.463 0.000 1.215 177 A HN 0.845 nan 8.150 nan 0.000 0.430 178 W N 2.142 123.674 121.300 0.387 0.000 2.261 178 W HA 0.451 5.112 4.660 0.001 0.000 0.323 178 W C 1.051 177.832 176.519 0.437 0.000 1.243 178 W CA 0.444 58.004 57.345 0.359 0.000 1.210 178 W CB 1.202 30.839 29.460 0.295 0.000 1.149 178 W HN 0.731 nan 8.180 nan 0.000 0.562 179 T N -1.094 113.852 114.554 0.653 0.000 2.913 179 T HA 0.077 4.428 4.350 0.001 0.000 0.297 179 T C 0.794 175.835 174.700 0.568 0.000 1.029 179 T CA -0.343 62.088 62.100 0.553 0.000 1.104 179 T CB 0.657 69.761 68.868 0.393 0.000 0.964 179 T HN 0.570 nan 8.240 nan 0.000 0.532 180 H N 0.786 120.021 119.070 0.276 0.000 2.543 180 H HA -0.071 4.485 4.556 0.001 0.000 0.286 180 H C 1.399 176.829 175.328 0.170 0.000 1.037 180 H CA 0.874 57.048 56.048 0.211 0.000 1.250 180 H CB 0.222 30.087 29.762 0.171 0.000 1.373 180 H HN 0.767 nan 8.280 nan 0.000 0.580 181 D N -0.345 120.228 120.400 0.288 0.000 2.349 181 D HA -0.006 4.634 4.640 0.001 0.000 0.224 181 D C 1.738 178.146 176.300 0.179 0.000 1.029 181 D CA 0.718 54.833 54.000 0.192 0.000 0.879 181 D CB -0.310 40.581 40.800 0.152 0.000 0.906 181 D HN 0.352 nan 8.370 nan 0.000 0.528 182 G N 1.137 110.080 108.800 0.239 0.000 2.166 182 G HA2 -0.441 3.519 3.960 0.001 0.000 0.260 182 G HA3 -0.441 3.519 3.960 0.001 0.000 0.260 182 G C 0.930 175.959 174.900 0.215 0.000 0.986 182 G CA 0.762 45.994 45.100 0.220 0.000 0.683 182 G HN 0.549 nan 8.290 nan 0.000 0.527 183 K N -0.173 120.355 120.400 0.213 0.000 2.116 183 K HA 0.369 4.689 4.320 0.001 0.000 0.203 183 K C 1.463 178.065 176.600 0.003 0.000 1.052 183 K CA 1.592 57.946 56.287 0.112 0.000 0.952 183 K CB -0.061 32.523 32.500 0.141 0.000 0.729 183 K HN 0.850 nan 8.250 nan 0.000 0.446 184 G N -0.289 108.527 108.800 0.027 0.000 2.619 184 G HA2 0.415 4.375 3.960 0.001 0.000 0.305 184 G HA3 0.415 4.375 3.960 0.001 0.000 0.305 184 G C -1.913 172.679 174.900 -0.512 0.000 1.330 184 G CA -0.730 44.050 45.100 -0.533 0.000 0.789 184 G HN 0.099 nan 8.290 nan 0.000 0.487 185 M N 0.007 119.095 119.600 -0.854 0.000 2.433 185 M HA 0.668 5.149 4.480 0.001 0.000 0.290 185 M C -1.637 174.559 176.300 -0.173 0.000 1.173 185 M CA -0.701 54.292 55.300 -0.512 0.000 0.905 185 M CB 2.008 34.038 32.600 -0.950 0.000 1.692 185 M HN 0.360 nan 8.290 nan 0.000 0.462 186 F N 4.049 124.157 119.950 0.264 0.000 2.389 186 F HA 0.553 5.081 4.527 0.001 0.000 0.337 186 F C -0.195 175.812 175.800 0.344 0.000 1.112 186 F CA 0.384 58.602 58.000 0.363 0.000 1.192 186 F CB 0.717 39.916 39.000 0.332 0.000 1.185 186 F HN 0.529 nan 8.300 nan 0.000 0.552 187 Y N -0.728 119.786 120.300 0.357 0.000 2.713 187 Y HA 0.542 5.092 4.550 0.001 0.000 0.335 187 Y C -2.017 174.033 175.900 0.249 0.000 1.222 187 Y CA -2.094 56.140 58.100 0.224 0.000 1.061 187 Y CB 0.732 39.262 38.460 0.118 0.000 1.314 187 Y HN 0.536 nan 8.280 nan 0.000 0.453 188 N N 0.617 119.369 118.700 0.086 0.000 2.370 188 N HA 0.864 5.604 4.740 0.001 0.000 0.303 188 N C -1.475 174.096 175.510 0.101 0.000 1.103 188 N CA -0.579 52.470 53.050 -0.002 0.000 0.848 188 N CB 2.200 40.714 38.487 0.046 0.000 1.235 188 N HN 0.966 nan 8.380 nan 0.000 0.496 189 A N 1.010 123.873 122.820 0.072 0.000 2.572 189 A HA 0.604 4.925 4.320 0.001 0.000 0.295 189 A C -1.927 175.726 177.584 0.115 0.000 1.072 189 A CA -0.522 51.641 52.037 0.210 0.000 0.691 189 A CB 0.701 19.865 19.000 0.273 0.000 1.291 189 A HN 0.608 nan 8.150 nan 0.000 0.404 190 Y N 1.441 121.937 120.300 0.326 0.000 2.419 190 Y HA 0.544 5.094 4.550 0.001 0.000 0.328 190 Y C -1.689 174.366 175.900 0.258 0.000 1.162 190 Y CA -1.818 56.471 58.100 0.315 0.000 1.174 190 Y CB 1.274 39.966 38.460 0.386 0.000 1.228 190 Y HN 0.517 nan 8.280 nan 0.000 0.473 191 P HA -0.003 nan 4.420 nan 0.000 0.272 191 P C -0.933 176.487 177.300 0.201 0.000 1.240 191 P CA -0.389 62.855 63.100 0.239 0.000 0.791 191 P CB 0.759 32.571 31.700 0.187 0.000 0.978 192 Q N 0.711 120.580 119.800 0.115 0.000 2.386 192 Q HA 0.015 4.356 4.340 0.001 0.000 0.282 192 Q C 0.457 176.501 176.000 0.073 0.000 1.050 192 Q CA 0.820 56.661 55.803 0.064 0.000 0.918 192 Q CB 0.288 29.042 28.738 0.028 0.000 1.266 192 Q HN 0.537 nan 8.270 nan 0.000 0.423 193 Q N 0.401 120.231 119.800 0.050 0.000 2.421 193 Q HA 0.473 4.813 4.340 0.001 0.000 0.280 193 Q C -1.201 174.814 176.000 0.025 0.000 1.085 193 Q CA -0.981 54.857 55.803 0.058 0.000 0.807 193 Q CB 1.592 30.389 28.738 0.098 0.000 1.405 193 Q HN 0.282 nan 8.270 nan 0.000 0.419 194 D N 0.513 120.930 120.400 0.028 0.000 2.357 194 D HA 0.465 5.105 4.640 0.001 0.000 0.242 194 D C 0.825 177.134 176.300 0.015 0.000 1.153 194 D CA 1.630 55.639 54.000 0.015 0.000 0.918 194 D CB 0.871 41.681 40.800 0.018 0.000 1.181 194 D HN 0.932 nan 8.370 nan 0.000 0.435 195 G N 0.705 109.507 108.800 0.004 0.000 2.632 195 G HA2 -0.225 3.735 3.960 0.001 0.000 0.224 195 G HA3 -0.225 3.735 3.960 0.001 0.000 0.224 195 G C -0.443 174.449 174.900 -0.013 0.000 1.341 195 G CA -0.505 44.597 45.100 0.004 0.000 0.880 195 G HN 0.516 nan 8.290 nan 0.000 0.566 196 K N -0.458 119.938 120.400 -0.006 0.000 2.098 196 K HA 0.628 4.948 4.320 0.001 0.000 0.257 196 K C -0.029 176.548 176.600 -0.037 0.000 0.999 196 K CA 0.074 56.344 56.287 -0.028 0.000 0.924 196 K CB 1.155 33.651 32.500 -0.006 0.000 1.028 196 K HN 0.371 nan 8.250 nan 0.000 0.466 197 S N 1.595 117.203 115.700 -0.152 0.000 2.472 197 S HA 0.035 4.505 4.470 0.001 0.000 0.191 197 S C -0.749 173.563 174.600 -0.481 0.000 1.244 197 S CA -0.581 57.390 58.200 -0.382 0.000 1.227 197 S CB 0.013 62.709 63.200 -0.839 0.000 1.381 197 S HN 0.748 nan 8.310 nan 0.000 0.394 198 D N -0.141 120.244 120.400 -0.025 0.000 2.500 198 D HA 0.286 4.927 4.640 0.001 0.000 0.217 198 D C 1.252 177.773 176.300 0.367 0.000 1.159 198 D CA 0.522 54.595 54.000 0.121 0.000 0.828 198 D CB 0.103 40.964 40.800 0.102 0.000 1.039 198 D HN 0.495 nan 8.370 nan 0.000 0.512 199 G N 0.377 109.425 108.800 0.412 0.000 2.201 199 G HA2 -0.302 3.659 3.960 0.001 0.000 0.212 199 G HA3 -0.302 3.659 3.960 0.001 0.000 0.212 199 G C 1.117 176.087 174.900 0.118 0.000 0.994 199 G CA 0.613 45.913 45.100 0.333 0.000 0.644 199 G HN 0.555 nan 8.290 nan 0.000 0.508 200 T N -0.851 113.709 114.554 0.009 0.000 3.044 200 T HA 0.367 4.718 4.350 0.001 0.000 0.250 200 T C 0.978 175.666 174.700 -0.019 0.000 1.081 200 T CA 0.984 63.017 62.100 -0.112 0.000 1.040 200 T CB 0.302 69.047 68.868 -0.205 0.000 0.962 200 T HN 0.769 nan 8.240 nan 0.000 0.506 201 E N 2.475 122.707 120.200 0.054 0.000 2.345 201 E HA 0.149 4.500 4.350 0.001 0.000 0.259 201 E C 0.430 177.075 176.600 0.074 0.000 1.117 201 E CA 0.062 56.502 56.400 0.067 0.000 0.913 201 E CB 1.104 30.868 29.700 0.106 0.000 1.057 201 E HN 0.292 nan 8.360 nan 0.000 0.432 202 T N -2.300 112.297 114.554 0.072 0.000 3.044 202 T HA 0.151 4.501 4.350 0.001 0.000 0.260 202 T C 0.144 174.954 174.700 0.184 0.000 1.019 202 T CA -0.386 61.774 62.100 0.099 0.000 0.921 202 T CB -0.171 68.705 68.868 0.013 0.000 1.053 202 T HN 0.290 nan 8.240 nan 0.000 0.533 203 S N 2.902 118.689 115.700 0.144 0.000 2.593 203 S HA 0.165 4.636 4.470 0.001 0.000 0.300 203 S C 0.541 175.205 174.600 0.107 0.000 1.267 203 S CA -0.084 58.193 58.200 0.128 0.000 1.065 203 S CB 0.567 63.842 63.200 0.125 0.000 0.807 203 S HN 0.581 nan 8.310 nan 0.000 0.499 204 T N 2.900 117.501 114.554 0.078 0.000 2.930 204 T HA 0.099 4.449 4.350 0.001 0.000 0.306 204 T C -0.066 174.672 174.700 0.063 0.000 1.045 204 T CA -0.392 61.745 62.100 0.062 0.000 1.134 204 T CB -0.305 68.581 68.868 0.030 0.000 0.961 204 T HN 0.623 nan 8.240 nan 0.000 0.545 205 N N 4.502 123.233 118.700 0.052 0.000 2.457 205 N HA 0.551 5.291 4.740 0.001 0.000 0.250 205 N C -0.878 174.757 175.510 0.209 0.000 0.982 205 N CA -0.459 52.552 53.050 -0.065 0.000 0.941 205 N CB 0.971 39.206 38.487 -0.420 0.000 1.120 205 N HN 0.445 nan 8.380 nan 0.000 0.505 206 L N 0.973 122.363 121.223 0.279 0.000 2.303 206 L HA 0.485 4.825 4.340 0.001 0.000 0.256 206 L C 0.006 177.121 176.870 0.409 0.000 1.034 206 L CA -0.990 53.987 54.840 0.228 0.000 0.832 206 L CB 1.468 43.523 42.059 -0.008 0.000 1.403 206 L HN 0.651 nan 8.230 nan 0.000 0.419 207 H N -0.139 119.075 119.070 0.240 0.000 2.826 207 H HA -0.167 4.389 4.556 0.001 0.000 0.306 207 H C 0.143 175.533 175.328 0.103 0.000 1.235 207 H CA 0.530 56.679 56.048 0.169 0.000 1.150 207 H CB -0.815 29.028 29.762 0.135 0.000 1.409 207 H HN 0.598 nan 8.280 nan 0.000 0.420 208 Q N 1.166 121.008 119.800 0.070 0.000 2.337 208 Q HA 0.224 4.564 4.340 0.001 0.000 0.270 208 Q C -0.137 175.805 176.000 -0.098 0.000 1.002 208 Q CA 0.442 56.040 55.803 -0.342 0.000 0.888 208 Q CB 0.718 29.165 28.738 -0.486 0.000 1.222 208 Q HN 0.359 nan 8.270 nan 0.000 0.400 209 K N 2.549 122.859 120.400 -0.151 0.000 2.350 209 K HA 0.500 4.821 4.320 0.001 0.000 0.241 209 K C -1.326 175.117 176.600 -0.262 0.000 0.994 209 K CA -0.949 55.196 56.287 -0.236 0.000 0.839 209 K CB 1.323 33.616 32.500 -0.344 0.000 1.244 209 K HN 0.422 nan 8.250 nan 0.000 0.443 210 L N 1.991 123.009 121.223 -0.343 0.000 2.287 210 L HA 0.432 4.772 4.340 0.001 0.000 0.287 210 L C -1.683 175.015 176.870 -0.285 0.000 1.022 210 L CA -0.061 54.664 54.840 -0.191 0.000 0.814 210 L CB 0.318 42.349 42.059 -0.047 0.000 1.217 210 L HN 0.472 nan 8.230 nan 0.000 0.420 211 Y N 3.776 123.988 120.300 -0.147 0.000 2.587 211 Y HA 0.498 5.048 4.550 0.001 0.000 0.337 211 Y C -1.196 174.802 175.900 0.163 0.000 1.065 211 Y CA -0.330 57.717 58.100 -0.088 0.000 1.126 211 Y CB 1.774 40.010 38.460 -0.373 0.000 1.279 211 Y HN 0.503 nan 8.280 nan 0.000 0.489 212 Y N 1.337 121.805 120.300 0.280 0.000 2.338 212 Y HA 0.382 4.933 4.550 0.001 0.000 0.333 212 Y C -1.260 174.745 175.900 0.176 0.000 0.968 212 Y CA -1.148 56.996 58.100 0.074 0.000 1.123 212 Y CB 0.604 38.959 38.460 -0.176 0.000 1.165 212 Y HN 0.695 nan 8.280 nan 0.000 0.452 213 H N 4.977 123.830 119.070 -0.361 0.000 2.556 213 H HA 0.563 5.119 4.556 0.001 0.000 0.310 213 H C -1.400 173.503 175.328 -0.708 0.000 1.057 213 H CA -0.570 55.251 56.048 -0.378 0.000 1.264 213 H CB 0.902 30.482 29.762 -0.303 0.000 1.404 213 H HN 0.507 nan 8.280 nan 0.000 0.462 214 V N 7.156 126.486 119.914 -0.974 0.000 2.455 214 V HA 0.015 4.136 4.120 0.001 0.000 0.273 214 V C 0.295 175.783 176.094 -1.010 0.000 1.045 214 V CA -0.669 61.159 62.300 -0.785 0.000 0.976 214 V CB 0.510 32.106 31.823 -0.377 0.000 0.993 214 V HN 0.672 nan 8.190 nan 0.000 0.475 215 L N 5.443 126.219 121.223 -0.744 0.000 2.540 215 L HA 0.474 4.815 4.340 0.001 0.000 0.276 215 L C 1.188 177.821 176.870 -0.395 0.000 1.212 215 L CA 1.927 56.407 54.840 -0.600 0.000 0.893 215 L CB 0.311 42.155 42.059 -0.359 0.000 1.138 215 L HN 0.975 nan 8.230 nan 0.000 0.491 216 G N 1.646 110.264 108.800 -0.303 0.000 2.157 216 G HA2 -0.220 3.740 3.960 0.001 0.000 0.239 216 G HA3 -0.220 3.740 3.960 0.001 0.000 0.239 216 G C 0.214 175.029 174.900 -0.142 0.000 0.982 216 G CA 0.296 45.294 45.100 -0.169 0.000 0.650 216 G HN 1.070 nan 8.290 nan 0.000 0.527 217 T N -2.118 112.326 114.554 -0.182 0.000 2.907 217 T HA 0.660 5.010 4.350 0.001 0.000 0.290 217 T C -0.841 173.872 174.700 0.023 0.000 1.066 217 T CA -0.478 61.563 62.100 -0.099 0.000 1.012 217 T CB 2.601 71.381 68.868 -0.147 0.000 1.184 217 T HN -0.054 nan 8.240 nan 0.000 0.522 218 D N 0.895 121.303 120.400 0.014 0.000 2.313 218 D HA 0.160 4.801 4.640 0.001 0.000 0.247 218 D C 1.201 177.528 176.300 0.044 0.000 1.094 218 D CA -0.331 53.680 54.000 0.018 0.000 0.925 218 D CB 1.389 42.183 40.800 -0.010 0.000 1.188 218 D HN 0.791 nan 8.370 nan 0.000 0.430 219 Q N 1.059 120.845 119.800 -0.022 0.000 2.234 219 Q HA -0.191 4.150 4.340 0.001 0.000 0.206 219 Q C 1.457 177.441 176.000 -0.026 0.000 0.980 219 Q CA 1.564 57.335 55.803 -0.053 0.000 0.869 219 Q CB 0.105 28.751 28.738 -0.154 0.000 0.912 219 Q HN 0.527 nan 8.270 nan 0.000 0.436 220 S N -0.338 115.347 115.700 -0.026 0.000 2.442 220 S HA -0.155 4.315 4.470 0.001 0.000 0.236 220 S C 1.236 175.841 174.600 0.007 0.000 1.007 220 S CA 1.263 59.451 58.200 -0.020 0.000 0.965 220 S CB -0.121 63.070 63.200 -0.016 0.000 0.773 220 S HN 0.475 nan 8.310 nan 0.000 0.504 221 E N 1.078 121.291 120.200 0.022 0.000 2.478 221 E HA 0.081 4.431 4.350 0.001 0.000 0.194 221 E C -0.516 176.126 176.600 0.070 0.000 1.045 221 E CA -0.112 56.309 56.400 0.035 0.000 0.868 221 E CB -0.016 29.690 29.700 0.011 0.000 0.885 221 E HN 0.520 nan 8.360 nan 0.000 0.505 222 D N 1.037 121.495 120.400 0.097 0.000 2.506 222 D HA -0.042 4.599 4.640 0.001 0.000 0.234 222 D C 0.055 176.510 176.300 0.258 0.000 1.143 222 D CA 0.504 54.611 54.000 0.179 0.000 0.871 222 D CB 0.638 41.558 40.800 0.199 0.000 1.190 222 D HN -0.057 nan 8.370 nan 0.000 0.459 223 I N 2.171 122.930 120.570 0.315 0.000 2.395 223 I HA 0.089 4.260 4.170 0.001 0.000 0.289 223 I C 0.331 176.654 176.117 0.342 0.000 1.023 223 I CA -0.805 60.671 61.300 0.293 0.000 1.350 223 I CB 0.554 38.700 38.000 0.244 0.000 1.409 223 I HN 0.220 nan 8.210 nan 0.000 0.507 224 L N 7.187 128.535 121.223 0.208 0.000 2.325 224 L HA 0.238 4.578 4.340 0.001 0.000 0.284 224 L C 0.470 177.338 176.870 -0.004 0.000 1.089 224 L CA 0.452 55.247 54.840 -0.076 0.000 0.836 224 L CB 0.733 42.727 42.059 -0.108 0.000 1.184 224 L HN 0.733 nan 8.230 nan 0.000 0.444 225 C N 3.897 123.216 119.300 0.031 0.000 2.865 225 C HA 0.744 5.204 4.460 0.001 0.000 0.280 225 C C 0.868 176.031 174.990 0.289 0.000 1.255 225 C CA 0.108 59.247 59.018 0.201 0.000 1.705 225 C CB -1.028 26.948 27.740 0.394 0.000 2.080 225 C HN 0.909 nan 8.230 nan 0.000 0.591 226 A N 1.104 123.940 122.820 0.027 0.000 2.555 226 A HA 0.660 4.981 4.320 0.001 0.000 0.297 226 A C -1.135 176.128 177.584 -0.535 0.000 1.060 226 A CA -0.398 51.555 52.037 -0.141 0.000 0.710 226 A CB 0.959 19.865 19.000 -0.156 0.000 1.282 226 A HN 0.487 nan 8.150 nan 0.000 0.399 227 E N 0.264 120.002 120.200 -0.770 0.000 2.412 227 E HA 0.729 5.080 4.350 0.001 0.000 0.279 227 E C -1.846 174.175 176.600 -0.965 0.000 0.984 227 E CA -0.878 55.021 56.400 -0.834 0.000 0.788 227 E CB 1.407 30.896 29.700 -0.352 0.000 1.277 227 E HN 0.477 nan 8.360 nan 0.000 0.455 228 F N 0.548 120.515 119.950 0.029 0.000 2.584 228 F HA 0.369 4.896 4.527 0.001 0.000 0.328 228 F C -2.238 173.531 175.800 -0.052 0.000 1.407 228 F CA -2.133 55.841 58.000 -0.044 0.000 1.145 228 F CB 1.342 40.303 39.000 -0.066 0.000 1.440 228 F HN 0.340 nan 8.300 nan 0.000 0.580 229 P HA -0.157 nan 4.420 nan 0.000 0.217 229 P C 0.908 178.272 177.300 0.106 0.000 1.148 229 P CA 1.532 64.719 63.100 0.145 0.000 0.828 229 P CB 0.327 32.049 31.700 0.037 0.000 0.783 230 D N -1.197 119.189 120.400 -0.023 0.000 2.349 230 D HA -0.003 4.637 4.640 0.001 0.000 0.215 230 D C 0.310 176.477 176.300 -0.222 0.000 1.016 230 D CA 0.837 54.781 54.000 -0.093 0.000 0.870 230 D CB 0.102 40.839 40.800 -0.104 0.000 0.917 230 D HN 0.222 nan 8.370 nan 0.000 0.524 231 E N 0.389 120.384 120.200 -0.342 0.000 3.108 231 E HA 0.172 4.522 4.350 0.001 0.000 0.228 231 E C -2.007 174.370 176.600 -0.371 0.000 1.176 231 E CA -1.600 54.452 56.400 -0.579 0.000 0.881 231 E CB 1.860 30.602 29.700 -1.597 0.000 1.354 231 E HN -0.030 nan 8.360 nan 0.000 0.400 232 P HA -0.140 nan 4.420 nan 0.000 0.220 232 P C 0.844 177.970 177.300 -0.289 0.000 1.144 232 P CA 1.238 64.005 63.100 -0.556 0.000 0.800 232 P CB 0.352 31.676 31.700 -0.626 0.000 0.772 233 K N -3.157 117.149 120.400 -0.157 0.000 2.367 233 K HA 0.020 4.340 4.320 0.001 0.000 0.194 233 K C 0.128 176.858 176.600 0.216 0.000 1.027 233 K CA -0.155 56.105 56.287 -0.046 0.000 1.075 233 K CB 0.057 32.496 32.500 -0.102 0.000 0.845 233 K HN 0.128 nan 8.250 nan 0.000 0.529 234 W N 1.815 123.063 121.300 -0.085 0.000 2.181 234 W HA 0.200 4.861 4.660 0.001 0.000 0.335 234 W C 0.147 176.616 176.519 -0.083 0.000 1.310 234 W CA -0.238 56.999 57.345 -0.179 0.000 1.226 234 W CB 0.056 29.243 29.460 -0.454 0.000 1.155 234 W HN -0.092 nan 8.180 nan 0.000 0.565 235 M N 3.249 122.876 119.600 0.045 0.000 2.151 235 M HA 0.405 4.885 4.480 0.001 0.000 0.290 235 M C 0.298 176.581 176.300 -0.028 0.000 0.965 235 M CA -0.410 54.936 55.300 0.078 0.000 0.930 235 M CB 1.948 34.589 32.600 0.069 0.000 1.560 235 M HN 0.498 nan 8.290 nan 0.000 0.438 236 G N 1.685 110.541 108.800 0.094 0.000 2.437 236 G HA2 0.663 4.623 3.960 0.001 0.000 0.315 236 G HA3 0.663 4.623 3.960 0.001 0.000 0.315 236 G C -0.374 174.518 174.900 -0.012 0.000 1.210 236 G CA -0.542 44.546 45.100 -0.020 0.000 0.943 236 G HN 0.819 nan 8.290 nan 0.000 0.471 237 G N 0.355 109.131 108.800 -0.041 0.000 2.371 237 G HA2 0.723 4.684 3.960 0.001 0.000 0.326 237 G HA3 0.723 4.684 3.960 0.001 0.000 0.326 237 G C -0.178 174.715 174.900 -0.010 0.000 1.127 237 G CA -0.036 45.070 45.100 0.009 0.000 0.885 237 G HN 1.000 nan 8.290 nan 0.000 0.477 238 A N 1.773 124.603 122.820 0.016 0.000 2.320 238 A HA 0.897 5.217 4.320 0.001 0.000 0.334 238 A C -0.128 177.505 177.584 0.081 0.000 1.147 238 A CA -0.709 51.313 52.037 -0.025 0.000 0.820 238 A CB 1.221 20.062 19.000 -0.265 0.000 1.218 238 A HN 0.905 nan 8.150 nan 0.000 0.482 239 E N 1.546 121.802 120.200 0.094 0.000 2.372 239 E HA 0.531 4.881 4.350 0.001 0.000 0.279 239 E C -1.781 174.918 176.600 0.164 0.000 0.946 239 E CA -0.913 55.592 56.400 0.175 0.000 0.769 239 E CB 1.090 30.896 29.700 0.177 0.000 1.230 239 E HN 0.351 nan 8.360 nan 0.000 0.442 240 L N 2.516 123.882 121.223 0.239 0.000 2.334 240 L HA 0.316 4.656 4.340 0.001 0.000 0.277 240 L C 0.671 177.605 176.870 0.107 0.000 1.075 240 L CA -0.286 54.669 54.840 0.192 0.000 0.804 240 L CB 1.356 43.569 42.059 0.256 0.000 1.174 240 L HN 0.884 nan 8.230 nan 0.000 0.438 241 S N 1.084 116.799 115.700 0.026 0.000 2.580 241 S HA 0.041 4.511 4.470 0.001 0.000 0.266 241 S C 0.776 175.472 174.600 0.160 0.000 1.354 241 S CA -0.622 57.565 58.200 -0.021 0.000 1.008 241 S CB 0.756 64.041 63.200 0.141 0.000 0.898 241 S HN 0.550 nan 8.310 nan 0.000 0.555 242 D N 1.314 121.897 120.400 0.305 0.000 2.182 242 D HA -0.115 4.525 4.640 0.001 0.000 0.201 242 D C 1.211 177.668 176.300 0.262 0.000 0.986 242 D CA 1.698 55.876 54.000 0.297 0.000 0.847 242 D CB -0.433 40.495 40.800 0.214 0.000 0.942 242 D HN 0.878 nan 8.370 nan 0.000 0.467 243 D N -1.309 119.176 120.400 0.142 0.000 2.339 243 D HA 0.135 4.775 4.640 0.001 0.000 0.217 243 D C 1.526 177.829 176.300 0.005 0.000 1.050 243 D CA 0.656 54.723 54.000 0.111 0.000 0.856 243 D CB -0.278 40.566 40.800 0.074 0.000 0.922 243 D HN 0.159 nan 8.370 nan 0.000 0.518 244 G N 1.155 109.776 108.800 -0.298 0.000 2.166 244 G HA2 -0.444 3.517 3.960 0.001 0.000 0.260 244 G HA3 -0.444 3.517 3.960 0.001 0.000 0.260 244 G C 1.088 175.852 174.900 -0.227 0.000 0.986 244 G CA 0.539 45.194 45.100 -0.740 0.000 0.683 244 G HN 0.527 nan 8.290 nan 0.000 0.527 245 R N -1.074 119.369 120.500 -0.096 0.000 2.140 245 R HA 0.252 4.592 4.340 0.001 0.000 0.213 245 R C 0.119 176.270 176.300 -0.248 0.000 1.059 245 R CA 0.619 56.608 56.100 -0.184 0.000 1.000 245 R CB 0.108 30.244 30.300 -0.274 0.000 0.910 245 R HN 0.424 nan 8.270 nan 0.000 0.455 246 Y N -0.447 119.914 120.300 0.101 0.000 2.409 246 Y HA 0.377 4.927 4.550 0.001 0.000 0.343 246 Y C -0.480 175.499 175.900 0.131 0.000 0.973 246 Y CA -1.131 57.066 58.100 0.161 0.000 1.064 246 Y CB 2.180 40.800 38.460 0.267 0.000 1.207 246 Y HN -0.340 nan 8.280 nan 0.000 0.452 247 V N 5.089 125.184 119.914 0.302 0.000 2.383 247 V HA 0.312 4.432 4.120 0.001 0.000 0.275 247 V C -0.230 176.067 176.094 0.339 0.000 1.036 247 V CA -0.716 61.714 62.300 0.217 0.000 0.889 247 V CB 0.865 32.731 31.823 0.071 0.000 0.985 247 V HN 0.559 nan 8.190 nan 0.000 0.459 248 L N 5.925 127.289 121.223 0.235 0.000 2.287 248 L HA 0.535 4.876 4.340 0.001 0.000 0.287 248 L C -0.593 176.368 176.870 0.152 0.000 1.022 248 L CA -0.573 54.411 54.840 0.239 0.000 0.814 248 L CB 1.557 43.706 42.059 0.150 0.000 1.217 248 L HN 0.454 nan 8.230 nan 0.000 0.420 249 L N 2.999 124.280 121.223 0.098 0.000 2.280 249 L HA 0.407 4.747 4.340 0.001 0.000 0.287 249 L C -0.200 176.543 176.870 -0.213 0.000 1.023 249 L CA 0.347 55.087 54.840 -0.167 0.000 0.819 249 L CB 1.536 43.235 42.059 -0.600 0.000 1.212 249 L HN 0.478 nan 8.230 nan 0.000 0.420 250 S N 6.440 122.045 115.700 -0.158 0.000 2.420 250 S HA 0.572 5.043 4.470 0.001 0.000 0.313 250 S C -0.144 174.299 174.600 -0.263 0.000 1.079 250 S CA -0.365 57.742 58.200 -0.156 0.000 1.104 250 S CB 0.295 63.483 63.200 -0.021 0.000 0.969 250 S HN 0.458 nan 8.310 nan 0.000 0.471 251 I N 3.784 124.100 120.570 -0.423 0.000 2.336 251 I HA 0.458 4.629 4.170 0.001 0.000 0.292 251 I C 0.185 176.123 176.117 -0.299 0.000 0.991 251 I CA -0.604 60.382 61.300 -0.523 0.000 1.227 251 I CB 1.117 38.510 38.000 -1.011 0.000 1.366 251 I HN 0.318 nan 8.210 nan 0.000 0.466 252 R N 4.052 124.369 120.500 -0.305 0.000 2.778 252 R HA 0.540 4.881 4.340 0.001 0.000 0.277 252 R C -0.889 175.112 176.300 -0.498 0.000 0.977 252 R CA -0.763 55.129 56.100 -0.348 0.000 0.950 252 R CB 1.776 31.952 30.300 -0.207 0.000 1.165 252 R HN 0.557 nan 8.270 nan 0.000 0.474 253 E N 1.208 120.963 120.200 -0.741 0.000 2.432 253 E HA 0.464 4.814 4.350 0.001 0.000 0.272 253 E C -0.707 175.671 176.600 -0.369 0.000 0.937 253 E CA -0.117 55.972 56.400 -0.518 0.000 0.812 253 E CB 0.812 30.113 29.700 -0.665 0.000 1.377 253 E HN 0.787 nan 8.360 nan 0.000 0.399 254 G N 1.600 110.317 108.800 -0.140 0.000 2.582 254 G HA2 -0.231 3.729 3.960 0.001 0.000 0.222 254 G HA3 -0.231 3.729 3.960 0.001 0.000 0.222 254 G C 0.273 175.154 174.900 -0.032 0.000 1.311 254 G CA -0.321 44.751 45.100 -0.047 0.000 0.915 254 G HN 0.577 nan 8.290 nan 0.000 0.528 255 C N 0.770 120.111 119.300 0.069 0.000 2.974 255 C HA 0.375 4.835 4.460 0.001 0.000 0.282 255 C C 0.632 175.676 174.990 0.090 0.000 1.292 255 C CA -0.503 58.591 59.018 0.127 0.000 1.710 255 C CB -1.158 26.806 27.740 0.373 0.000 2.036 255 C HN 0.609 nan 8.230 nan 0.000 0.629 256 D N 3.056 123.480 120.400 0.040 0.000 2.382 256 D HA 0.120 4.760 4.640 0.001 0.000 0.240 256 D C -1.937 174.380 176.300 0.029 0.000 1.146 256 D CA -0.964 53.077 54.000 0.069 0.000 0.897 256 D CB 0.579 41.404 40.800 0.042 0.000 1.197 256 D HN 0.168 nan 8.370 nan 0.000 0.432 257 P HA 0.056 nan 4.420 nan 0.000 0.225 257 P C -0.709 176.617 177.300 0.042 0.000 1.813 257 P CA -0.164 62.973 63.100 0.062 0.000 1.013 257 P CB -0.137 31.644 31.700 0.136 0.000 1.961 258 V N -0.072 119.851 119.914 0.014 0.000 3.087 258 V HA 0.788 4.908 4.120 0.001 0.000 0.306 258 V C -1.193 174.932 176.094 0.052 0.000 1.187 258 V CA -1.016 61.302 62.300 0.030 0.000 0.999 258 V CB 2.852 34.709 31.823 0.055 0.000 1.049 258 V HN 0.500 nan 8.190 nan 0.000 0.431 259 N N 1.024 119.804 118.700 0.133 0.000 2.745 259 N HA 0.387 5.127 4.740 0.001 0.000 0.256 259 N C -1.378 174.177 175.510 0.076 0.000 1.268 259 N CA -0.890 52.235 53.050 0.124 0.000 0.887 259 N CB 2.259 40.762 38.487 0.026 0.000 1.575 259 N HN 0.817 nan 8.380 nan 0.000 0.496 260 R N 0.121 120.532 120.500 -0.148 0.000 2.531 260 R HA 0.441 4.782 4.340 0.001 0.000 0.273 260 R C -0.639 175.481 176.300 -0.301 0.000 1.070 260 R CA -0.705 55.176 56.100 -0.365 0.000 1.112 260 R CB 0.766 30.604 30.300 -0.770 0.000 1.049 260 R HN 0.458 nan 8.270 nan 0.000 0.508 261 L N 3.459 124.560 121.223 -0.202 0.000 2.406 261 L HA 0.393 4.734 4.340 0.001 0.000 0.270 261 L C -1.799 175.145 176.870 0.125 0.000 0.982 261 L CA -0.341 54.432 54.840 -0.112 0.000 0.843 261 L CB 1.169 43.111 42.059 -0.196 0.000 1.225 261 L HN 0.650 nan 8.230 nan 0.000 0.412 262 W N 4.972 126.185 121.300 -0.145 0.000 2.639 262 W HA 0.591 5.251 4.660 0.001 0.000 0.347 262 W C -0.269 176.323 176.519 0.120 0.000 1.067 262 W CA -0.958 56.324 57.345 -0.105 0.000 1.218 262 W CB 1.150 30.494 29.460 -0.193 0.000 1.393 262 W HN 0.466 nan 8.180 nan 0.000 0.557 263 Y N -0.589 119.900 120.300 0.314 0.000 2.576 263 Y HA 0.713 5.263 4.550 0.001 0.000 0.346 263 Y C -1.036 175.053 175.900 0.316 0.000 1.018 263 Y CA -2.162 56.108 58.100 0.284 0.000 1.050 263 Y CB 1.531 39.943 38.460 -0.080 0.000 1.280 263 Y HN 0.491 nan 8.280 nan 0.000 0.474 264 C N 3.317 122.901 119.300 0.473 0.000 2.432 264 C HA 0.416 4.877 4.460 0.001 0.000 0.334 264 C C -1.076 174.070 174.990 0.259 0.000 1.155 264 C CA -0.590 58.492 59.018 0.106 0.000 1.335 264 C CB -0.020 27.439 27.740 -0.468 0.000 1.964 264 C HN 0.919 nan 8.230 nan 0.000 0.444 265 D N 4.591 125.142 120.400 0.252 0.000 2.352 265 D HA 0.157 4.797 4.640 0.001 0.000 0.245 265 D C 1.201 177.452 176.300 -0.082 0.000 1.224 265 D CA -0.003 54.002 54.000 0.007 0.000 0.879 265 D CB 0.655 41.495 40.800 0.066 0.000 1.057 265 D HN 0.715 nan 8.370 nan 0.000 0.491 266 L N 3.065 124.219 121.223 -0.114 0.000 2.187 266 L HA -0.196 4.144 4.340 0.001 0.000 0.213 266 L C 2.405 179.224 176.870 -0.086 0.000 1.100 266 L CA 0.951 55.737 54.840 -0.090 0.000 0.765 266 L CB -0.302 41.724 42.059 -0.055 0.000 0.904 266 L HN 0.571 nan 8.230 nan 0.000 0.437 267 Q N -0.102 119.637 119.800 -0.101 0.000 2.226 267 Q HA -0.223 4.117 4.340 0.001 0.000 0.204 267 Q C 1.754 177.723 176.000 -0.051 0.000 0.975 267 Q CA 1.151 56.912 55.803 -0.070 0.000 0.866 267 Q CB 0.124 28.816 28.738 -0.076 0.000 0.915 267 Q HN 0.500 nan 8.270 nan 0.000 0.440 268 Q N 0.488 120.257 119.800 -0.052 0.000 2.403 268 Q HA 0.076 4.416 4.340 0.001 0.000 0.203 268 Q C -0.326 175.638 176.000 -0.060 0.000 0.932 268 Q CA 0.278 56.057 55.803 -0.040 0.000 0.945 268 Q CB 0.510 29.236 28.738 -0.019 0.000 1.045 268 Q HN 0.330 nan 8.270 nan 0.000 0.511 269 E N 0.529 120.684 120.200 -0.075 0.000 2.344 269 E HA 0.063 4.413 4.350 0.001 0.000 0.270 269 E C 0.810 177.373 176.600 -0.061 0.000 1.021 269 E CA -0.001 56.347 56.400 -0.086 0.000 0.887 269 E CB 1.209 30.848 29.700 -0.103 0.000 0.997 269 E HN 0.005 nan 8.360 nan 0.000 0.429 270 S N 2.904 118.570 115.700 -0.057 0.000 2.402 270 S HA -0.226 4.244 4.470 0.001 0.000 0.233 270 S C 1.043 175.623 174.600 -0.033 0.000 1.030 270 S CA 1.600 59.776 58.200 -0.040 0.000 1.003 270 S CB -0.047 63.130 63.200 -0.038 0.000 0.813 270 S HN 0.513 nan 8.310 nan 0.000 0.477 271 N N -0.513 118.165 118.700 -0.038 0.000 2.658 271 N HA 0.334 5.075 4.740 0.001 0.000 0.238 271 N C -0.111 175.378 175.510 -0.035 0.000 1.495 271 N CA 0.747 53.780 53.050 -0.029 0.000 0.883 271 N CB 0.017 38.491 38.487 -0.021 0.000 1.463 271 N HN 0.321 nan 8.380 nan 0.000 0.531 272 G N 0.829 109.601 108.800 -0.046 0.000 2.698 272 G HA2 -0.257 3.703 3.960 0.001 0.000 0.233 272 G HA3 -0.257 3.703 3.960 0.001 0.000 0.233 272 G C -0.327 174.517 174.900 -0.092 0.000 1.352 272 G CA -0.207 44.856 45.100 -0.062 0.000 0.879 272 G HN 0.344 nan 8.290 nan 0.000 0.567 273 I N 2.004 122.491 120.570 -0.138 0.000 2.294 273 I HA 0.328 4.498 4.170 0.001 0.000 0.295 273 I C 1.585 177.660 176.117 -0.071 0.000 1.098 273 I CA 0.663 61.855 61.300 -0.179 0.000 1.277 273 I CB 0.775 38.490 38.000 -0.474 0.000 1.434 273 I HN 0.774 nan 8.210 nan 0.000 0.498 274 T N 0.423 114.953 114.554 -0.040 0.000 3.004 274 T HA 0.518 4.869 4.350 0.001 0.000 0.266 274 T C 0.558 175.267 174.700 0.016 0.000 0.986 274 T CA 0.109 62.209 62.100 0.000 0.000 0.902 274 T CB 0.810 69.673 68.868 -0.008 0.000 1.118 274 T HN 0.663 nan 8.240 nan 0.000 0.522 275 G N 1.337 110.142 108.800 0.007 0.000 2.474 275 G HA2 0.427 4.388 3.960 0.001 0.000 0.234 275 G HA3 0.427 4.388 3.960 0.001 0.000 0.234 275 G C -1.673 173.238 174.900 0.018 0.000 1.204 275 G CA -0.923 44.190 45.100 0.023 0.000 0.939 275 G HN 0.187 nan 8.290 nan 0.000 0.491 276 I N 2.590 123.174 120.570 0.024 0.000 2.664 276 I HA 0.148 4.319 4.170 0.001 0.000 0.284 276 I C 0.998 177.082 176.117 -0.056 0.000 1.154 276 I CA 0.236 61.571 61.300 0.058 0.000 1.402 276 I CB -0.401 37.648 38.000 0.082 0.000 1.395 276 I HN 0.245 nan 8.210 nan 0.000 0.545 277 L N 7.024 128.121 121.223 -0.210 0.000 2.476 277 L HA 0.098 4.438 4.340 0.001 0.000 0.264 277 L C 1.072 177.574 176.870 -0.614 0.000 1.224 277 L CA -0.376 54.122 54.840 -0.570 0.000 0.821 277 L CB -0.001 41.417 42.059 -1.068 0.000 1.101 277 L HN 0.476 nan 8.230 nan 0.000 0.488 278 K N 2.082 122.199 120.400 -0.471 0.000 2.243 278 K HA 0.076 4.396 4.320 0.001 0.000 0.232 278 K C -1.000 175.403 176.600 -0.329 0.000 1.237 278 K CA -0.055 56.052 56.287 -0.300 0.000 1.161 278 K CB -0.261 32.119 32.500 -0.199 0.000 1.505 278 K HN 0.306 nan 8.250 nan 0.000 0.271 279 W N 1.423 122.641 121.300 -0.137 0.000 2.264 279 W HA 0.046 4.707 4.660 0.001 0.000 0.331 279 W C 0.234 176.492 176.519 -0.435 0.000 1.364 279 W CA -0.771 56.445 57.345 -0.214 0.000 1.253 279 W CB 0.476 29.860 29.460 -0.125 0.000 1.215 279 W HN 0.025 nan 8.180 nan 0.000 0.561 280 V N 4.725 124.420 119.914 -0.364 0.000 2.347 280 V HA 0.157 4.277 4.120 0.001 0.000 0.280 280 V C 0.195 175.893 176.094 -0.660 0.000 1.021 280 V CA -1.448 60.457 62.300 -0.659 0.000 0.847 280 V CB 1.032 32.160 31.823 -1.159 0.000 0.990 280 V HN 0.414 nan 8.190 nan 0.000 0.444 281 K N 4.532 124.556 120.400 -0.627 0.000 2.278 281 K HA 0.125 4.445 4.320 0.001 0.000 0.237 281 K C 1.030 177.465 176.600 -0.275 0.000 1.229 281 K CA -0.266 55.640 56.287 -0.635 0.000 1.155 281 K CB 0.290 32.299 32.500 -0.818 0.000 1.590 281 K HN 0.538 nan 8.250 nan 0.000 0.290 282 L N 1.666 122.767 121.223 -0.203 0.000 1.978 282 L HA -0.153 4.188 4.340 0.001 0.000 0.218 282 L C 0.547 177.357 176.870 -0.099 0.000 1.075 282 L CA 1.917 56.679 54.840 -0.129 0.000 0.767 282 L CB 0.128 42.106 42.059 -0.136 0.000 0.890 282 L HN 0.384 nan 8.230 nan 0.000 0.434 283 I N 0.619 121.123 120.570 -0.111 0.000 2.390 283 I HA 0.202 4.373 4.170 0.001 0.000 0.283 283 I C -0.652 175.440 176.117 -0.043 0.000 1.016 283 I CA -0.227 60.977 61.300 -0.160 0.000 1.151 283 I CB 0.727 38.465 38.000 -0.438 0.000 1.293 283 I HN 0.132 nan 8.210 nan 0.000 0.458 284 D N 5.657 126.037 120.400 -0.034 0.000 3.123 284 D HA 0.241 4.882 4.640 0.001 0.000 0.305 284 D C -0.377 175.838 176.300 -0.141 0.000 1.373 284 D CA -0.094 53.909 54.000 0.006 0.000 0.889 284 D CB 0.219 41.038 40.800 0.032 0.000 1.070 284 D HN 0.709 nan 8.370 nan 0.000 0.494 285 N N -2.120 116.421 118.700 -0.264 0.000 3.020 285 N HA 0.270 5.010 4.740 0.001 0.000 0.248 285 N C -1.179 174.101 175.510 -0.384 0.000 1.480 285 N CA -0.777 52.078 53.050 -0.324 0.000 0.874 285 N CB 0.257 38.684 38.487 -0.100 0.000 1.433 285 N HN -0.221 nan 8.380 nan 0.000 0.530 286 F N -0.109 119.800 119.950 -0.069 0.000 2.925 286 F HA 0.415 4.942 4.527 0.001 0.000 0.302 286 F C 0.994 176.781 175.800 -0.022 0.000 1.189 286 F CA -0.510 57.439 58.000 -0.084 0.000 1.346 286 F CB -0.009 38.917 39.000 -0.124 0.000 0.954 286 F HN 0.610 nan 8.300 nan 0.000 0.506 287 E N 0.044 120.330 120.200 0.143 0.000 2.371 287 E HA 0.235 4.585 4.350 0.001 0.000 0.194 287 E C 1.261 177.897 176.600 0.060 0.000 1.012 287 E CA 0.260 56.718 56.400 0.097 0.000 0.860 287 E CB 0.392 30.135 29.700 0.071 0.000 0.811 287 E HN 0.413 nan 8.360 nan 0.000 0.502 288 G N 0.616 109.474 108.800 0.095 0.000 2.646 288 G HA2 0.184 4.144 3.960 0.001 0.000 0.291 288 G HA3 0.184 4.144 3.960 0.001 0.000 0.291 288 G C -1.775 173.002 174.900 -0.205 0.000 1.445 288 G CA -0.739 44.305 45.100 -0.093 0.000 0.814 288 G HN -0.013 nan 8.290 nan 0.000 0.495 289 E N -0.356 119.623 120.200 -0.368 0.000 2.283 289 E HA 0.485 4.835 4.350 0.001 0.000 0.278 289 E C -1.390 174.822 176.600 -0.646 0.000 1.027 289 E CA -0.558 55.680 56.400 -0.270 0.000 0.843 289 E CB 0.957 30.636 29.700 -0.034 0.000 1.062 289 E HN 0.379 nan 8.360 nan 0.000 0.401 290 Y N 2.762 123.057 120.300 -0.008 0.000 2.488 290 Y HA 0.184 4.734 4.550 0.001 0.000 0.330 290 Y C -0.744 175.258 175.900 0.170 0.000 1.013 290 Y CA -1.086 56.968 58.100 -0.076 0.000 1.304 290 Y CB 1.331 39.514 38.460 -0.462 0.000 1.098 290 Y HN 0.474 nan 8.280 nan 0.000 0.498 291 D N 2.349 122.977 120.400 0.380 0.000 2.427 291 D HA 0.095 4.735 4.640 0.001 0.000 0.226 291 D C -0.780 175.819 176.300 0.499 0.000 1.076 291 D CA -0.558 53.670 54.000 0.380 0.000 0.849 291 D CB 0.389 41.312 40.800 0.204 0.000 1.052 291 D HN 0.375 nan 8.370 nan 0.000 0.515 292 Y N 3.934 124.479 120.300 0.408 0.000 2.721 292 Y HA 0.101 4.652 4.550 0.001 0.000 0.329 292 Y C 0.309 176.217 175.900 0.013 0.000 1.211 292 Y CA 0.367 58.531 58.100 0.106 0.000 1.512 292 Y CB 0.672 39.234 38.460 0.171 0.000 1.249 292 Y HN 0.300 nan 8.280 nan 0.000 0.549 293 V N 3.879 123.331 119.914 -0.770 0.000 2.743 293 V HA 0.181 4.302 4.120 0.001 0.000 0.237 293 V C 0.568 176.074 176.094 -0.979 0.000 1.113 293 V CA 1.224 63.156 62.300 -0.614 0.000 1.141 293 V CB 0.426 32.057 31.823 -0.321 0.000 0.873 293 V HN 0.856 nan 8.190 nan 0.000 0.486 294 T N 0.189 114.043 114.554 -1.166 0.000 2.663 294 T HA 0.351 4.702 4.350 0.001 0.000 0.305 294 T C -2.324 171.993 174.700 -0.638 0.000 1.660 294 T CA -0.446 61.156 62.100 -0.831 0.000 0.976 294 T CB 1.619 70.267 68.868 -0.367 0.000 1.705 294 T HN 0.540 nan 8.240 nan 0.000 0.494 295 N N 1.101 119.517 118.700 -0.474 0.000 2.396 295 N HA 0.423 5.163 4.740 0.001 0.000 0.275 295 N C -1.887 173.370 175.510 -0.421 0.000 1.218 295 N CA -0.713 51.901 53.050 -0.728 0.000 0.812 295 N CB 2.247 39.691 38.487 -1.737 0.000 1.592 295 N HN 0.493 nan 8.380 nan 0.000 0.480 296 E N 0.666 120.650 120.200 -0.360 0.000 2.325 296 E HA 0.397 4.748 4.350 0.001 0.000 0.248 296 E C 0.706 177.213 176.600 -0.154 0.000 0.912 296 E CA -0.114 56.174 56.400 -0.188 0.000 0.782 296 E CB 1.032 30.655 29.700 -0.129 0.000 1.264 296 E HN 0.996 nan 8.360 nan 0.000 0.417 297 G N 3.151 111.893 108.800 -0.097 0.000 2.561 297 G HA2 -0.411 3.549 3.960 0.001 0.000 0.289 297 G HA3 -0.411 3.549 3.960 0.001 0.000 0.289 297 G C 0.930 175.823 174.900 -0.011 0.000 1.169 297 G CA 0.737 45.834 45.100 -0.005 0.000 0.980 297 G HN 0.550 nan 8.290 nan 0.000 0.550 298 T N -1.372 113.191 114.554 0.016 0.000 3.107 298 T HA 0.457 4.807 4.350 0.001 0.000 0.249 298 T C 0.833 175.477 174.700 -0.092 0.000 1.096 298 T CA 0.954 63.045 62.100 -0.015 0.000 1.012 298 T CB 0.260 69.178 68.868 0.084 0.000 0.977 298 T HN 1.019 nan 8.240 nan 0.000 0.527 299 V N 2.827 122.673 119.914 -0.113 0.000 2.353 299 V HA 0.405 4.525 4.120 0.001 0.000 0.264 299 V C -0.627 175.319 176.094 -0.246 0.000 1.049 299 V CA -0.830 61.412 62.300 -0.096 0.000 0.896 299 V CB -0.630 31.154 31.823 -0.065 0.000 1.025 299 V HN 0.319 nan 8.190 nan 0.000 0.475 300 F N 2.467 122.187 119.950 -0.384 0.000 2.420 300 F HA 0.461 4.989 4.527 0.001 0.000 0.342 300 F C 0.922 176.491 175.800 -0.386 0.000 1.113 300 F CA -0.405 57.329 58.000 -0.444 0.000 1.059 300 F CB 1.754 40.414 39.000 -0.565 0.000 1.128 300 F HN 0.310 nan 8.300 nan 0.000 0.475 301 T N 4.996 119.315 114.554 -0.391 0.000 2.744 301 T HA 0.528 4.878 4.350 0.001 0.000 0.291 301 T C -0.817 173.629 174.700 -0.423 0.000 0.957 301 T CA -0.185 61.744 62.100 -0.285 0.000 1.002 301 T CB 0.023 68.743 68.868 -0.246 0.000 0.919 301 T HN 0.162 nan 8.240 nan 0.000 0.468 302 F N 1.743 121.709 119.950 0.027 0.000 2.563 302 F HA 0.509 5.036 4.527 0.001 0.000 0.316 302 F C 0.396 176.214 175.800 0.030 0.000 1.076 302 F CA -1.265 56.776 58.000 0.069 0.000 0.921 302 F CB 1.867 40.957 39.000 0.151 0.000 1.209 302 F HN 0.280 nan 8.300 nan 0.000 0.462 303 K N 1.403 121.941 120.400 0.230 0.000 2.234 303 K HA 0.567 4.888 4.320 0.001 0.000 0.282 303 K C -0.687 176.003 176.600 0.151 0.000 1.039 303 K CA -0.038 56.334 56.287 0.141 0.000 0.928 303 K CB 1.253 33.804 32.500 0.085 0.000 1.039 303 K HN 0.771 nan 8.250 nan 0.000 0.470 304 T N 1.600 116.217 114.554 0.106 0.000 2.864 304 T HA 0.274 4.624 4.350 0.001 0.000 0.299 304 T C -0.498 174.140 174.700 -0.102 0.000 1.166 304 T CA -0.811 61.245 62.100 -0.074 0.000 1.007 304 T CB 0.848 69.586 68.868 -0.217 0.000 1.219 304 T HN 0.799 nan 8.240 nan 0.000 0.506 305 N N 0.922 119.427 118.700 -0.326 0.000 2.177 305 N HA 0.157 4.898 4.740 0.001 0.000 0.218 305 N C 0.180 175.507 175.510 -0.305 0.000 1.182 305 N CA -0.498 52.236 53.050 -0.527 0.000 0.882 305 N CB -0.062 37.874 38.487 -0.918 0.000 1.052 305 N HN 0.331 nan 8.380 nan 0.000 0.519 306 R N 1.688 122.031 120.500 -0.262 0.000 2.446 306 R HA -0.007 4.333 4.340 0.001 0.000 0.325 306 R C -0.234 175.977 176.300 -0.148 0.000 0.997 306 R CA 0.468 56.423 56.100 -0.241 0.000 1.010 306 R CB -1.088 29.150 30.300 -0.104 0.000 0.946 306 R HN 0.273 nan 8.270 nan 0.000 0.422 307 H N 0.725 119.797 119.070 0.002 0.000 3.047 307 H HA -0.184 4.373 4.556 0.001 0.000 0.263 307 H C -0.884 174.439 175.328 -0.009 0.000 1.168 307 H CA 1.351 57.403 56.048 0.007 0.000 1.152 307 H CB -1.965 27.818 29.762 0.036 0.000 1.278 307 H HN 0.603 nan 8.280 nan 0.000 0.339 308 S N -2.310 113.403 115.700 0.021 0.000 2.385 308 S HA 0.418 4.888 4.470 0.001 0.000 0.191 308 S C -2.150 172.363 174.600 -0.145 0.000 1.196 308 S CA -1.026 57.162 58.200 -0.019 0.000 1.178 308 S CB 2.904 66.110 63.200 0.011 0.000 1.258 308 S HN -0.204 nan 8.310 nan 0.000 0.430 309 P HA -0.086 nan 4.420 nan 0.000 0.217 309 P C 0.775 178.023 177.300 -0.086 0.000 1.148 309 P CA 1.173 64.208 63.100 -0.108 0.000 0.828 309 P CB 0.026 31.734 31.700 0.013 0.000 0.783 310 N N -2.733 115.991 118.700 0.040 0.000 2.336 310 N HA 0.050 4.791 4.740 0.001 0.000 0.189 310 N C -0.407 175.317 175.510 0.357 0.000 1.113 310 N CA 0.126 53.310 53.050 0.223 0.000 0.858 310 N CB -0.334 38.288 38.487 0.225 0.000 0.970 310 N HN 0.143 nan 8.380 nan 0.000 0.471 311 Y N -0.389 119.942 120.300 0.052 0.000 2.517 311 Y HA -0.320 4.230 4.550 0.001 0.000 0.021 311 Y C 0.622 176.541 175.900 0.031 0.000 1.713 311 Y CA -0.044 58.065 58.100 0.016 0.000 1.412 311 Y CB -0.505 37.938 38.460 -0.028 0.000 2.058 311 Y HN 0.222 nan 8.280 nan 0.000 0.255 312 R N 0.404 121.002 120.500 0.165 0.000 2.762 312 R HA 0.908 5.248 4.340 0.001 0.000 0.271 312 R C -2.265 174.087 176.300 0.088 0.000 1.038 312 R CA -1.343 54.825 56.100 0.114 0.000 0.906 312 R CB 1.498 31.866 30.300 0.114 0.000 1.259 312 R HN 0.520 nan 8.270 nan 0.000 0.457 313 L N 2.128 123.392 121.223 0.068 0.000 2.322 313 L HA 0.637 4.977 4.340 0.001 0.000 0.281 313 L C -0.305 176.621 176.870 0.094 0.000 1.014 313 L CA -0.962 53.914 54.840 0.060 0.000 0.815 313 L CB 1.789 43.850 42.059 0.002 0.000 1.247 313 L HN 0.586 nan 8.230 nan 0.000 0.421 314 I N 0.016 120.658 120.570 0.121 0.000 2.892 314 I HA 0.543 4.714 4.170 0.001 0.000 0.306 314 I C -1.031 175.155 176.117 0.116 0.000 1.078 314 I CA -0.745 60.639 61.300 0.140 0.000 1.032 314 I CB 2.360 40.464 38.000 0.175 0.000 1.229 314 I HN 0.492 nan 8.210 nan 0.000 0.435 315 N N 4.088 122.850 118.700 0.103 0.000 2.372 315 N HA 0.624 5.364 4.740 0.001 0.000 0.285 315 N C -1.345 174.201 175.510 0.061 0.000 1.008 315 N CA -0.635 52.460 53.050 0.074 0.000 0.880 315 N CB 2.313 40.836 38.487 0.060 0.000 1.239 315 N HN 0.460 nan 8.380 nan 0.000 0.484 316 I N 1.195 121.802 120.570 0.062 0.000 2.389 316 I HA 0.174 4.344 4.170 0.001 0.000 0.288 316 I C -0.680 175.534 176.117 0.162 0.000 0.999 316 I CA -0.704 60.597 61.300 0.002 0.000 1.129 316 I CB 1.618 39.527 38.000 -0.152 0.000 1.288 316 I HN 0.396 nan 8.210 nan 0.000 0.444 317 D N 5.931 126.449 120.400 0.197 0.000 2.313 317 D HA 0.166 4.806 4.640 0.001 0.000 0.239 317 D C 0.815 177.297 176.300 0.303 0.000 1.142 317 D CA -0.257 53.851 54.000 0.179 0.000 0.847 317 D CB 0.873 41.768 40.800 0.158 0.000 1.082 317 D HN 0.229 nan 8.370 nan 0.000 0.480 318 F N 1.561 121.518 119.950 0.011 0.000 2.307 318 F HA -0.146 4.381 4.527 0.001 0.000 0.301 318 F C 2.545 178.386 175.800 0.068 0.000 1.076 318 F CA 1.256 59.224 58.000 -0.053 0.000 1.383 318 F CB -1.288 37.514 39.000 -0.329 0.000 1.055 318 F HN 0.447 nan 8.300 nan 0.000 0.526 319 T N -3.922 110.793 114.554 0.267 0.000 3.088 319 T HA -0.011 4.339 4.350 0.001 0.000 0.259 319 T C 0.497 175.296 174.700 0.166 0.000 1.122 319 T CA 0.693 62.910 62.100 0.195 0.000 1.095 319 T CB 0.025 68.987 68.868 0.157 0.000 0.930 319 T HN 0.010 nan 8.240 nan 0.000 0.508 320 D N 1.506 122.020 120.400 0.190 0.000 2.846 320 D HA 0.275 4.915 4.640 0.001 0.000 0.279 320 D C -1.855 174.587 176.300 0.236 0.000 1.222 320 D CA -1.886 52.218 54.000 0.174 0.000 0.769 320 D CB 1.325 42.217 40.800 0.152 0.000 1.299 320 D HN 0.040 nan 8.370 nan 0.000 0.537 321 P HA -0.109 nan 4.420 nan 0.000 0.222 321 P C -0.007 177.517 177.300 0.374 0.000 1.147 321 P CA 0.383 63.674 63.100 0.317 0.000 0.790 321 P CB 0.456 32.282 31.700 0.209 0.000 0.780 322 E N 0.745 121.052 120.200 0.179 0.000 2.502 322 E HA -0.122 4.228 4.350 0.001 0.000 0.261 322 E C 1.305 177.761 176.600 -0.239 0.000 0.974 322 E CA 0.062 56.469 56.400 0.011 0.000 0.936 322 E CB 0.395 30.083 29.700 -0.019 0.000 0.926 322 E HN 0.270 nan 8.360 nan 0.000 0.459 323 E N 2.177 121.983 120.200 -0.657 0.000 2.130 323 E HA -0.253 4.097 4.350 0.001 0.000 0.196 323 E C 1.605 177.683 176.600 -0.869 0.000 0.998 323 E CA 1.606 57.044 56.400 -1.605 0.000 0.806 323 E CB 0.082 29.047 29.700 -1.226 0.000 0.738 323 E HN 0.561 nan 8.360 nan 0.000 0.459 324 S N -0.099 115.366 115.700 -0.391 0.000 2.469 324 S HA -0.074 4.397 4.470 0.001 0.000 0.238 324 S C 1.495 176.057 174.600 -0.063 0.000 0.998 324 S CA 0.660 58.756 58.200 -0.174 0.000 0.957 324 S CB 0.010 63.148 63.200 -0.104 0.000 0.764 324 S HN 0.145 nan 8.310 nan 0.000 0.514 325 K N -0.223 120.159 120.400 -0.029 0.000 2.361 325 K HA 0.158 4.479 4.320 0.001 0.000 0.194 325 K C -0.184 176.594 176.600 0.297 0.000 1.032 325 K CA -0.214 56.150 56.287 0.129 0.000 1.048 325 K CB -0.111 32.483 32.500 0.156 0.000 0.842 325 K HN 0.428 nan 8.250 nan 0.000 0.526 326 W N 2.873 124.233 121.300 0.099 0.000 2.170 326 W HA 0.046 4.707 4.660 0.001 0.000 0.342 326 W C 0.693 177.277 176.519 0.108 0.000 1.294 326 W CA -0.533 56.885 57.345 0.121 0.000 1.246 326 W CB 0.096 29.642 29.460 0.142 0.000 1.156 326 W HN -0.283 nan 8.180 nan 0.000 0.572 327 K N 2.080 122.675 120.400 0.326 0.000 2.206 327 K HA 0.409 4.729 4.320 0.001 0.000 0.264 327 K C -0.848 175.868 176.600 0.195 0.000 0.967 327 K CA -1.132 55.282 56.287 0.211 0.000 0.844 327 K CB 1.880 34.469 32.500 0.149 0.000 1.099 327 K HN 0.110 nan 8.250 nan 0.000 0.441 328 V N 5.059 125.073 119.914 0.168 0.000 2.389 328 V HA 0.030 4.151 4.120 0.001 0.000 0.264 328 V C 1.441 177.601 176.094 0.110 0.000 1.049 328 V CA -0.245 62.143 62.300 0.147 0.000 0.932 328 V CB 0.680 32.586 31.823 0.137 0.000 1.011 328 V HN 0.627 nan 8.190 nan 0.000 0.475 329 L N 6.452 127.732 121.223 0.096 0.000 2.102 329 L HA 0.215 4.555 4.340 0.001 0.000 0.202 329 L C 0.766 177.680 176.870 0.073 0.000 1.076 329 L CA 1.816 56.700 54.840 0.073 0.000 0.761 329 L CB 0.480 42.569 42.059 0.051 0.000 0.921 329 L HN 0.440 nan 8.230 nan 0.000 0.444 330 V N 1.266 121.221 119.914 0.068 0.000 2.357 330 V HA 0.379 4.499 4.120 0.001 0.000 0.281 330 V C -2.296 173.855 176.094 0.094 0.000 1.015 330 V CA -1.547 60.796 62.300 0.072 0.000 0.827 330 V CB 0.995 32.822 31.823 0.007 0.000 1.018 330 V HN 0.093 nan 8.190 nan 0.000 0.432 331 P HA 0.051 nan 4.420 nan 0.000 0.269 331 P C 0.040 177.417 177.300 0.129 0.000 1.217 331 P CA -0.063 63.098 63.100 0.102 0.000 0.783 331 P CB 0.643 32.389 31.700 0.077 0.000 0.898 332 E N 1.659 121.931 120.200 0.121 0.000 2.414 332 E HA -0.067 4.283 4.350 0.001 0.000 0.263 332 E C -0.186 176.504 176.600 0.151 0.000 1.000 332 E CA -0.104 56.387 56.400 0.151 0.000 0.914 332 E CB 0.279 30.046 29.700 0.112 0.000 0.948 332 E HN 0.454 nan 8.360 nan 0.000 0.444 333 H N 3.442 122.594 119.070 0.138 0.000 2.562 333 H HA -0.013 4.543 4.556 0.001 0.000 0.352 333 H C 0.756 176.130 175.328 0.078 0.000 1.125 333 H CA 0.306 56.405 56.048 0.086 0.000 1.379 333 H CB 1.471 31.273 29.762 0.068 0.000 1.464 333 H HN 0.827 nan 8.280 nan 0.000 0.563 334 E N 3.012 123.068 120.200 -0.240 0.000 2.160 334 E HA -0.195 4.156 4.350 0.001 0.000 0.195 334 E C 1.238 177.907 176.600 0.115 0.000 0.991 334 E CA 1.516 57.877 56.400 -0.065 0.000 0.810 334 E CB 0.347 29.951 29.700 -0.160 0.000 0.742 334 E HN 0.624 nan 8.360 nan 0.000 0.466 335 K N -0.721 119.877 120.400 0.330 0.000 2.631 335 K HA 0.040 4.360 4.320 0.001 0.000 0.200 335 K C -0.609 176.176 176.600 0.309 0.000 1.481 335 K CA -0.041 56.423 56.287 0.295 0.000 1.087 335 K CB 0.659 33.297 32.500 0.229 0.000 1.502 335 K HN -0.082 nan 8.250 nan 0.000 0.560 336 D N 1.930 122.518 120.400 0.313 0.000 2.389 336 D HA 0.082 4.722 4.640 0.001 0.000 0.247 336 D C -0.544 175.906 176.300 0.250 0.000 1.128 336 D CA -0.011 54.065 54.000 0.127 0.000 0.884 336 D CB 1.729 42.391 40.800 -0.229 0.000 1.194 336 D HN -0.125 nan 8.370 nan 0.000 0.441 337 V N 2.986 123.007 119.914 0.179 0.000 2.461 337 V HA 0.045 4.166 4.120 0.001 0.000 0.275 337 V C 0.281 176.404 176.094 0.049 0.000 1.047 337 V CA -0.770 61.622 62.300 0.153 0.000 0.955 337 V CB 1.259 33.113 31.823 0.050 0.000 0.988 337 V HN 0.329 nan 8.190 nan 0.000 0.471 338 L N 5.524 126.711 121.223 -0.061 0.000 2.363 338 L HA 0.294 4.635 4.340 0.001 0.000 0.286 338 L C 1.175 177.781 176.870 -0.440 0.000 1.106 338 L CA 0.704 55.235 54.840 -0.515 0.000 0.859 338 L CB 0.061 41.847 42.059 -0.456 0.000 1.223 338 L HN 0.713 nan 8.230 nan 0.000 0.446 339 E N 5.204 125.140 120.200 -0.441 0.000 2.028 339 E HA -0.033 4.318 4.350 0.001 0.000 0.191 339 E C -0.506 175.995 176.600 -0.166 0.000 0.988 339 E CA 1.461 57.680 56.400 -0.300 0.000 0.799 339 E CB 0.150 29.757 29.700 -0.155 0.000 0.755 339 E HN 0.744 nan 8.360 nan 0.000 0.447 340 W N -1.382 119.737 121.300 -0.303 0.000 3.066 340 W HA 0.585 5.245 4.660 0.001 0.000 0.330 340 W C -1.645 174.708 176.519 -0.277 0.000 1.253 340 W CA -0.819 56.374 57.345 -0.254 0.000 1.187 340 W CB 0.662 30.005 29.460 -0.195 0.000 1.434 340 W HN -0.384 nan 8.180 nan 0.000 0.572 341 V N 1.301 121.297 119.914 0.136 0.000 2.841 341 V HA 0.838 4.958 4.120 0.001 0.000 0.310 341 V C -0.387 175.777 176.094 0.118 0.000 1.090 341 V CA -0.727 61.567 62.300 -0.010 0.000 0.930 341 V CB 1.236 32.987 31.823 -0.120 0.000 1.014 341 V HN 0.899 nan 8.190 nan 0.000 0.425 342 A N 2.128 124.990 122.820 0.070 0.000 2.435 342 A HA 0.784 5.104 4.320 0.001 0.000 0.304 342 A C -0.861 176.775 177.584 0.087 0.000 1.064 342 A CA -0.481 51.607 52.037 0.085 0.000 0.727 342 A CB 1.769 20.802 19.000 0.056 0.000 1.284 342 A HN 1.080 nan 8.150 nan 0.000 0.415 343 C N 2.139 121.493 119.300 0.090 0.000 2.329 343 C HA 0.826 5.286 4.460 0.001 0.000 0.329 343 C C -0.304 174.786 174.990 0.167 0.000 1.275 343 C CA -0.105 58.966 59.018 0.088 0.000 1.726 343 C CB -0.083 27.649 27.740 -0.013 0.000 2.291 343 C HN 1.108 nan 8.230 nan 0.000 0.514 344 V N 6.839 126.880 119.914 0.212 0.000 3.049 344 V HA 0.674 4.794 4.120 0.001 0.000 0.309 344 V C 0.294 176.505 176.094 0.196 0.000 1.148 344 V CA -0.572 61.867 62.300 0.232 0.000 0.990 344 V CB 1.778 33.793 31.823 0.321 0.000 1.039 344 V HN 1.041 nan 8.190 nan 0.000 0.430 345 R N 3.477 124.053 120.500 0.126 0.000 3.333 345 R HA -0.213 4.128 4.340 0.001 0.000 0.256 345 R C 0.944 177.188 176.300 -0.093 0.000 1.010 345 R CA 0.870 56.984 56.100 0.023 0.000 0.680 345 R CB -1.449 28.875 30.300 0.041 0.000 1.102 345 R HN 1.368 nan 8.270 nan 0.000 0.440 346 S N -1.898 113.781 115.700 -0.035 0.000 1.694 346 S HA -0.357 4.113 4.470 0.001 0.000 0.236 346 S C 0.608 175.165 174.600 -0.072 0.000 0.821 346 S CA 2.127 60.292 58.200 -0.058 0.000 1.530 346 S CB -0.953 62.197 63.200 -0.083 0.000 1.703 346 S HN 0.919 nan 8.310 nan 0.000 0.517 347 N N 0.230 118.840 118.700 -0.151 0.000 2.282 347 N HA 0.438 5.178 4.740 0.001 0.000 0.240 347 N C -0.738 174.784 175.510 0.021 0.000 1.182 347 N CA -0.369 52.619 53.050 -0.104 0.000 0.874 347 N CB 0.336 38.745 38.487 -0.130 0.000 1.126 347 N HN 0.281 nan 8.380 nan 0.000 0.516 348 F N 1.166 121.137 119.950 0.036 0.000 2.492 348 F HA 0.567 5.095 4.527 0.001 0.000 0.327 348 F C -0.025 175.810 175.800 0.058 0.000 1.079 348 F CA -1.540 56.494 58.000 0.058 0.000 0.967 348 F CB 1.505 40.555 39.000 0.084 0.000 1.169 348 F HN -0.075 nan 8.300 nan 0.000 0.472 349 L N 3.007 124.387 121.223 0.261 0.000 2.362 349 L HA 0.590 4.931 4.340 0.001 0.000 0.275 349 L C -1.022 175.900 176.870 0.085 0.000 0.998 349 L CA -1.003 53.910 54.840 0.121 0.000 0.820 349 L CB 2.137 44.225 42.059 0.047 0.000 1.270 349 L HN 0.165 nan 8.230 nan 0.000 0.415 350 V N 4.885 124.819 119.914 0.033 0.000 2.350 350 V HA 0.383 4.503 4.120 0.001 0.000 0.276 350 V C 0.073 176.011 176.094 -0.261 0.000 1.028 350 V CA -0.375 61.899 62.300 -0.043 0.000 0.860 350 V CB 1.486 33.288 31.823 -0.035 0.000 0.990 350 V HN 0.464 nan 8.190 nan 0.000 0.453 351 L N 4.719 125.761 121.223 -0.302 0.000 2.296 351 L HA 0.528 4.869 4.340 0.001 0.000 0.286 351 L C -0.295 176.180 176.870 -0.658 0.000 1.023 351 L CA -0.231 54.297 54.840 -0.519 0.000 0.812 351 L CB 1.666 43.455 42.059 -0.450 0.000 1.223 351 L HN 0.664 nan 8.230 nan 0.000 0.421 352 C N 4.167 122.814 119.300 -1.089 0.000 2.281 352 C HA 0.591 5.052 4.460 0.001 0.000 0.323 352 C C -0.244 174.304 174.990 -0.736 0.000 1.270 352 C CA -0.375 58.033 59.018 -1.016 0.000 1.559 352 C CB -0.206 26.408 27.740 -1.876 0.000 2.239 352 C HN 0.649 nan 8.230 nan 0.000 0.488 353 Y N 3.652 123.739 120.300 -0.355 0.000 2.534 353 Y HA 0.686 5.237 4.550 0.001 0.000 0.329 353 Y C -0.040 175.771 175.900 -0.149 0.000 1.154 353 Y CA -0.837 57.123 58.100 -0.232 0.000 1.192 353 Y CB 1.347 39.688 38.460 -0.199 0.000 1.275 353 Y HN 0.524 nan 8.280 nan 0.000 0.491 354 L N 2.341 123.613 121.223 0.082 0.000 2.316 354 L HA 0.349 4.690 4.340 0.001 0.000 0.280 354 L C -1.399 175.507 176.870 0.061 0.000 1.006 354 L CA -0.436 54.424 54.840 0.033 0.000 0.836 354 L CB 0.325 42.355 42.059 -0.048 0.000 1.221 354 L HN 0.646 nan 8.230 nan 0.000 0.418 355 H N 4.404 123.463 119.070 -0.018 0.000 2.638 355 H HA 0.352 4.908 4.556 0.001 0.000 0.303 355 H C -0.534 174.811 175.328 0.029 0.000 1.034 355 H CA -0.334 55.702 56.048 -0.020 0.000 1.225 355 H CB 0.445 30.186 29.762 -0.036 0.000 1.394 355 H HN 0.668 nan 8.280 nan 0.000 0.477 356 D N 4.575 124.799 120.400 -0.293 0.000 2.686 356 D HA -0.183 4.458 4.640 0.001 0.000 0.235 356 D C 0.244 176.508 176.300 -0.060 0.000 1.160 356 D CA 1.192 55.099 54.000 -0.154 0.000 0.645 356 D CB -1.149 39.568 40.800 -0.138 0.000 1.039 356 D HN 0.619 nan 8.370 nan 0.000 0.423 357 V N -2.604 117.241 119.914 -0.115 0.000 4.591 357 V HA -0.358 3.762 4.120 0.001 0.000 0.261 357 V C 0.593 176.816 176.094 0.216 0.000 0.425 357 V CA 1.892 64.212 62.300 0.032 0.000 0.826 357 V CB -1.870 29.993 31.823 0.065 0.000 0.812 357 V HN 0.498 nan 8.190 nan 0.000 1.340 358 K N 0.161 120.659 120.400 0.163 0.000 2.422 358 K HA 0.614 4.934 4.320 0.001 0.000 0.251 358 K C -0.245 176.444 176.600 0.149 0.000 0.933 358 K CA -0.716 55.683 56.287 0.186 0.000 0.798 358 K CB 2.092 34.739 32.500 0.244 0.000 1.238 358 K HN 0.345 nan 8.250 nan 0.000 0.428 359 N N 0.544 119.330 118.700 0.143 0.000 2.515 359 N HA 0.292 5.032 4.740 0.001 0.000 0.279 359 N C -0.860 174.723 175.510 0.123 0.000 1.164 359 N CA -0.165 52.958 53.050 0.122 0.000 0.982 359 N CB 1.080 39.648 38.487 0.135 0.000 1.170 359 N HN 0.585 nan 8.380 nan 0.000 0.474 360 T N -0.806 113.786 114.554 0.063 0.000 2.906 360 T HA 0.533 4.883 4.350 0.001 0.000 0.295 360 T C -1.143 173.544 174.700 -0.022 0.000 1.061 360 T CA -0.879 61.236 62.100 0.026 0.000 1.000 360 T CB 1.314 70.175 68.868 -0.012 0.000 1.103 360 T HN 0.160 nan 8.240 nan 0.000 0.486 361 L N 2.710 123.915 121.223 -0.030 0.000 2.436 361 L HA 0.606 4.947 4.340 0.001 0.000 0.268 361 L C -1.088 175.809 176.870 0.044 0.000 0.974 361 L CA -0.449 54.353 54.840 -0.063 0.000 0.826 361 L CB 1.777 43.749 42.059 -0.144 0.000 1.291 361 L HN 1.169 nan 8.230 nan 0.000 0.406 362 Q N 3.344 123.168 119.800 0.040 0.000 2.534 362 Q HA 0.561 4.901 4.340 0.001 0.000 0.290 362 Q C -1.996 174.026 176.000 0.037 0.000 0.991 362 Q CA -1.003 54.770 55.803 -0.050 0.000 0.783 362 Q CB 3.125 31.842 28.738 -0.035 0.000 1.470 362 Q HN 0.457 nan 8.270 nan 0.000 0.406 363 L N 1.327 122.447 121.223 -0.171 0.000 2.307 363 L HA 0.535 4.875 4.340 0.001 0.000 0.284 363 L C -1.108 175.690 176.870 -0.120 0.000 1.023 363 L CA -0.094 54.677 54.840 -0.114 0.000 0.810 363 L CB 1.358 43.200 42.059 -0.362 0.000 1.231 363 L HN 0.694 nan 8.230 nan 0.000 0.423 364 H N 1.467 120.467 119.070 -0.116 0.000 2.834 364 H HA 0.270 4.827 4.556 0.001 0.000 0.369 364 H C -1.376 173.984 175.328 0.054 0.000 1.174 364 H CA -0.932 55.089 56.048 -0.045 0.000 1.165 364 H CB 2.248 32.003 29.762 -0.013 0.000 1.820 364 H HN 0.543 nan 8.280 nan 0.000 0.558 365 D N 1.240 121.752 120.400 0.186 0.000 2.308 365 D HA -0.006 4.634 4.640 0.001 0.000 0.251 365 D C 0.896 177.291 176.300 0.157 0.000 1.127 365 D CA -0.433 53.688 54.000 0.202 0.000 0.876 365 D CB 1.119 41.996 40.800 0.128 0.000 1.176 365 D HN 0.281 nan 8.370 nan 0.000 0.446 366 L N 4.955 126.259 121.223 0.136 0.000 2.046 366 L HA 0.008 4.348 4.340 0.001 0.000 0.208 366 L C 1.957 178.849 176.870 0.037 0.000 1.077 366 L CA 2.306 57.184 54.840 0.064 0.000 0.747 366 L CB -0.850 41.224 42.059 0.026 0.000 0.896 366 L HN 0.589 nan 8.230 nan 0.000 0.432 367 A N -1.409 121.432 122.820 0.035 0.000 1.933 367 A HA -0.180 4.141 4.320 0.001 0.000 0.218 367 A C 2.235 179.841 177.584 0.036 0.000 1.175 367 A CA 2.362 54.413 52.037 0.024 0.000 0.628 367 A CB -1.002 18.008 19.000 0.018 0.000 0.814 367 A HN 0.620 nan 8.150 nan 0.000 0.444 368 T N -6.318 108.267 114.554 0.051 0.000 2.971 368 T HA 0.435 4.785 4.350 0.001 0.000 0.252 368 T C 1.432 176.177 174.700 0.075 0.000 1.022 368 T CA 1.068 63.201 62.100 0.055 0.000 0.980 368 T CB 0.415 69.311 68.868 0.046 0.000 1.044 368 T HN 1.725 nan 8.240 nan 0.000 0.501 369 G N 1.749 110.609 108.800 0.099 0.000 2.179 369 G HA2 -0.064 3.897 3.960 0.001 0.000 0.260 369 G HA3 -0.064 3.897 3.960 0.001 0.000 0.260 369 G C 0.367 175.409 174.900 0.237 0.000 0.977 369 G CA 0.004 45.195 45.100 0.150 0.000 0.641 369 G HN 1.246 nan 8.290 nan 0.000 0.533 370 A N -0.098 122.795 122.820 0.121 0.000 2.462 370 A HA 0.635 4.956 4.320 0.001 0.000 0.243 370 A C 0.606 178.101 177.584 -0.149 0.000 1.076 370 A CA 0.300 52.354 52.037 0.028 0.000 0.773 370 A CB 0.560 19.557 19.000 -0.006 0.000 1.010 370 A HN 1.653 nan 8.150 nan 0.000 0.493 371 L N 2.409 123.412 121.223 -0.367 0.000 2.455 371 L HA 0.283 4.624 4.340 0.001 0.000 0.272 371 L C 0.458 177.077 176.870 -0.417 0.000 1.174 371 L CA 0.593 54.980 54.840 -0.755 0.000 0.869 371 L CB 0.167 41.905 42.059 -0.536 0.000 1.130 371 L HN 0.726 nan 8.230 nan 0.000 0.474 372 L N 2.791 123.757 121.223 -0.427 0.000 2.624 372 L HA 0.375 4.715 4.340 0.001 0.000 0.222 372 L C 0.125 176.787 176.870 -0.346 0.000 1.046 372 L CA -0.098 54.561 54.840 -0.302 0.000 0.872 372 L CB 0.041 41.941 42.059 -0.266 0.000 1.190 372 L HN 0.617 nan 8.230 nan 0.000 0.487 373 K N 0.516 120.639 120.400 -0.461 0.000 2.542 373 K HA 0.512 4.832 4.320 0.001 0.000 0.259 373 K C -1.660 174.533 176.600 -0.678 0.000 0.932 373 K CA -0.251 55.702 56.287 -0.556 0.000 0.820 373 K CB 1.846 33.935 32.500 -0.684 0.000 1.345 373 K HN -0.050 nan 8.250 nan 0.000 0.432 374 I N 4.709 124.945 120.570 -0.556 0.000 2.339 374 I HA 0.373 4.544 4.170 0.001 0.000 0.290 374 I C -0.743 175.086 176.117 -0.479 0.000 0.994 374 I CA -0.852 60.176 61.300 -0.453 0.000 1.191 374 I CB 0.784 38.626 38.000 -0.264 0.000 1.343 374 I HN 0.495 nan 8.210 nan 0.000 0.458 375 F N 7.686 127.529 119.950 -0.178 0.000 2.390 375 F HA 0.324 4.851 4.527 0.001 0.000 0.361 375 F C -1.712 173.976 175.800 -0.185 0.000 1.124 375 F CA -2.654 55.233 58.000 -0.188 0.000 1.149 375 F CB 0.191 39.024 39.000 -0.277 0.000 1.160 375 F HN 0.252 nan 8.300 nan 0.000 0.501 376 P HA 0.216 nan 4.420 nan 0.000 0.267 376 P C -0.872 176.338 177.300 -0.150 0.000 1.205 376 P CA 0.174 63.226 63.100 -0.080 0.000 0.765 376 P CB 1.304 32.960 31.700 -0.074 0.000 0.828 377 L N 1.809 122.946 121.223 -0.143 0.000 2.393 377 L HA 0.409 4.750 4.340 0.001 0.000 0.260 377 L C 0.741 177.487 176.870 -0.207 0.000 1.002 377 L CA -1.097 53.581 54.840 -0.270 0.000 0.818 377 L CB 2.238 44.218 42.059 -0.132 0.000 1.369 377 L HN 0.267 nan 8.230 nan 0.000 0.412 378 E N 0.776 120.747 120.200 -0.383 0.000 2.622 378 E HA 0.225 4.575 4.350 0.001 0.000 0.255 378 E C -0.522 176.207 176.600 0.216 0.000 1.313 378 E CA -0.511 55.851 56.400 -0.062 0.000 1.011 378 E CB 1.275 30.966 29.700 -0.014 0.000 1.173 378 E HN 0.370 nan 8.360 nan 0.000 0.601 379 V N -1.538 118.545 119.914 0.282 0.000 2.446 379 V HA 0.606 4.726 4.120 0.001 0.000 0.276 379 V C 0.510 176.806 176.094 0.337 0.000 1.030 379 V CA 0.708 63.184 62.300 0.294 0.000 1.033 379 V CB -0.141 31.817 31.823 0.226 0.000 0.993 379 V HN 0.771 nan 8.190 nan 0.000 0.477 380 G N 3.674 112.628 108.800 0.257 0.000 2.392 380 G HA2 0.523 4.483 3.960 0.001 0.000 0.260 380 G HA3 0.523 4.483 3.960 0.001 0.000 0.260 380 G C -0.913 173.911 174.900 -0.128 0.000 1.226 380 G CA -0.124 44.889 45.100 -0.146 0.000 0.913 380 G HN 0.952 nan 8.290 nan 0.000 0.483 381 S N -1.326 114.155 115.700 -0.365 0.000 2.570 381 S HA 0.686 5.156 4.470 0.001 0.000 0.286 381 S C -0.705 173.892 174.600 -0.006 0.000 1.099 381 S CA -0.492 57.636 58.200 -0.119 0.000 0.913 381 S CB 2.042 65.153 63.200 -0.149 0.000 1.085 381 S HN 0.804 nan 8.310 nan 0.000 0.480 382 V N 3.050 123.078 119.914 0.190 0.000 2.364 382 V HA 0.259 4.379 4.120 0.001 0.000 0.272 382 V C 0.771 177.020 176.094 0.258 0.000 1.036 382 V CA -0.287 62.212 62.300 0.332 0.000 0.880 382 V CB 1.066 33.158 31.823 0.450 0.000 0.991 382 V HN 0.857 nan 8.190 nan 0.000 0.460 383 V N 1.817 121.855 119.914 0.206 0.000 3.477 383 V HA 0.705 4.826 4.120 0.001 0.000 0.297 383 V C 0.612 176.789 176.094 0.137 0.000 1.433 383 V CA 0.493 62.871 62.300 0.131 0.000 1.052 383 V CB 0.281 32.150 31.823 0.078 0.000 0.895 383 V HN 0.802 nan 8.190 nan 0.000 0.438 384 G N -0.569 108.363 108.800 0.220 0.000 2.733 384 G HA2 0.622 4.583 3.960 0.001 0.000 0.297 384 G HA3 0.622 4.583 3.960 0.001 0.000 0.297 384 G C -2.259 172.841 174.900 0.332 0.000 1.422 384 G CA -0.767 44.462 45.100 0.214 0.000 0.942 384 G HN 0.406 nan 8.290 nan 0.000 0.510 385 Y N 0.944 121.303 120.300 0.099 0.000 2.558 385 Y HA 0.675 5.225 4.550 0.001 0.000 0.333 385 Y C -0.789 175.194 175.900 0.139 0.000 1.125 385 Y CA -0.684 57.506 58.100 0.149 0.000 1.039 385 Y CB 2.099 40.539 38.460 -0.034 0.000 1.331 385 Y HN 1.135 nan 8.280 nan 0.000 0.456 386 S N 3.117 118.316 115.700 -0.836 0.000 2.536 386 S HA 0.895 5.366 4.470 0.001 0.000 0.271 386 S C -0.672 173.513 174.600 -0.692 0.000 1.134 386 S CA -0.274 57.615 58.200 -0.518 0.000 0.897 386 S CB 1.540 64.765 63.200 0.041 0.000 1.094 386 S HN 1.992 nan 8.310 nan 0.000 0.473 387 G N 2.833 111.473 108.800 -0.267 0.000 2.145 387 G HA2 0.293 4.253 3.960 0.001 0.000 0.174 387 G HA3 0.293 4.253 3.960 0.001 0.000 0.174 387 G C -0.962 174.063 174.900 0.208 0.000 1.726 387 G CA -0.394 44.719 45.100 0.022 0.000 1.080 387 G HN 1.048 nan 8.290 nan 0.000 0.606 388 Q N 1.587 121.487 119.800 0.167 0.000 2.185 388 Q HA 0.547 4.888 4.340 0.001 0.000 0.225 388 Q C 1.458 177.548 176.000 0.150 0.000 0.983 388 Q CA -0.672 55.234 55.803 0.172 0.000 0.950 388 Q CB 1.723 30.549 28.738 0.145 0.000 1.176 388 Q HN 0.287 nan 8.270 nan 0.000 0.510 389 K N 0.380 120.858 120.400 0.129 0.000 2.089 389 K HA -0.234 4.086 4.320 0.001 0.000 0.210 389 K C 1.774 178.421 176.600 0.078 0.000 1.048 389 K CA 2.357 58.701 56.287 0.096 0.000 0.926 389 K CB -0.038 32.508 32.500 0.078 0.000 0.714 389 K HN 0.693 nan 8.250 nan 0.000 0.448 390 K N -0.239 120.207 120.400 0.078 0.000 2.418 390 K HA 0.021 4.342 4.320 0.001 0.000 0.195 390 K C -0.176 176.456 176.600 0.054 0.000 1.035 390 K CA 0.304 56.624 56.287 0.055 0.000 1.003 390 K CB 0.140 32.668 32.500 0.048 0.000 0.793 390 K HN -0.010 nan 8.250 nan 0.000 0.494 391 D N 2.432 122.878 120.400 0.076 0.000 2.362 391 D HA -0.022 4.618 4.640 0.001 0.000 0.242 391 D C 0.597 176.953 176.300 0.093 0.000 1.132 391 D CA 0.466 54.517 54.000 0.084 0.000 0.907 391 D CB 1.643 42.509 40.800 0.111 0.000 1.195 391 D HN 0.301 nan 8.370 nan 0.000 0.429 392 T N -2.312 112.298 114.554 0.093 0.000 3.228 392 T HA 0.249 4.599 4.350 0.001 0.000 0.278 392 T C 0.170 174.927 174.700 0.096 0.000 1.014 392 T CA -0.550 61.605 62.100 0.092 0.000 0.904 392 T CB -0.086 68.822 68.868 0.067 0.000 1.110 392 T HN 0.582 nan 8.240 nan 0.000 0.541 393 E N 0.909 121.166 120.200 0.095 0.000 2.407 393 E HA 0.629 4.980 4.350 0.001 0.000 0.279 393 E C -1.279 175.327 176.600 0.010 0.000 1.012 393 E CA -1.431 54.969 56.400 -0.000 0.000 0.800 393 E CB 1.683 31.388 29.700 0.008 0.000 1.276 393 E HN 0.408 nan 8.360 nan 0.000 0.452 394 I N -1.740 118.752 120.570 -0.130 0.000 2.785 394 I HA 0.736 4.906 4.170 0.001 0.000 0.302 394 I C -1.473 174.541 176.117 -0.172 0.000 1.069 394 I CA -1.197 60.074 61.300 -0.047 0.000 1.045 394 I CB 1.666 39.728 38.000 0.104 0.000 1.236 394 I HN 0.457 nan 8.210 nan 0.000 0.429 395 F N 3.476 123.421 119.950 -0.008 0.000 2.565 395 F HA 0.696 5.224 4.527 0.001 0.000 0.313 395 F C -0.911 174.991 175.800 0.170 0.000 1.091 395 F CA -0.510 57.495 58.000 0.009 0.000 0.915 395 F CB 2.252 41.224 39.000 -0.047 0.000 1.208 395 F HN 0.548 nan 8.300 nan 0.000 0.453 396 Y N -0.010 120.479 120.300 0.315 0.000 2.519 396 Y HA 0.565 5.116 4.550 0.001 0.000 0.336 396 Y C -1.360 174.777 175.900 0.396 0.000 1.089 396 Y CA -1.331 56.985 58.100 0.360 0.000 1.025 396 Y CB 1.201 39.888 38.460 0.379 0.000 1.318 396 Y HN 0.630 nan 8.280 nan 0.000 0.452 397 Q N 3.420 123.507 119.800 0.478 0.000 2.293 397 Q HA 0.554 4.894 4.340 0.001 0.000 0.261 397 Q C -2.079 174.200 176.000 0.466 0.000 0.960 397 Q CA -0.883 55.149 55.803 0.382 0.000 0.882 397 Q CB 1.695 30.600 28.738 0.278 0.000 1.275 397 Q HN 0.780 nan 8.270 nan 0.000 0.445 398 F N 2.218 122.343 119.950 0.293 0.000 2.508 398 F HA 0.650 5.178 4.527 0.001 0.000 0.325 398 F C -0.805 175.086 175.800 0.150 0.000 1.090 398 F CA -0.208 57.954 58.000 0.271 0.000 0.945 398 F CB 2.231 41.468 39.000 0.395 0.000 1.156 398 F HN 0.505 nan 8.300 nan 0.000 0.463 399 T N 2.945 117.046 114.554 -0.756 0.000 2.865 399 T HA 0.765 5.115 4.350 0.001 0.000 0.294 399 T C -1.218 172.971 174.700 -0.851 0.000 1.119 399 T CA -0.068 61.700 62.100 -0.552 0.000 1.007 399 T CB 1.316 70.065 68.868 -0.200 0.000 1.225 399 T HN 1.020 nan 8.240 nan 0.000 0.515 400 S N 0.716 116.158 115.700 -0.429 0.000 2.688 400 S HA 0.563 5.033 4.470 0.001 0.000 0.275 400 S C 0.091 174.607 174.600 -0.140 0.000 1.175 400 S CA -0.701 57.276 58.200 -0.371 0.000 0.818 400 S CB 0.387 63.497 63.200 -0.150 0.000 1.157 400 S HN 0.441 nan 8.310 nan 0.000 0.482 401 F N 0.475 120.399 119.950 -0.043 0.000 2.216 401 F HA 0.226 4.754 4.527 0.001 0.000 0.300 401 F C 1.826 177.695 175.800 0.116 0.000 1.085 401 F CA 1.149 59.145 58.000 -0.008 0.000 1.326 401 F CB -0.435 38.515 39.000 -0.083 0.000 1.027 401 F HN 0.381 nan 8.300 nan 0.000 0.497 402 L N -2.289 119.127 121.223 0.323 0.000 2.590 402 L HA 0.194 4.535 4.340 0.001 0.000 0.227 402 L C 0.600 177.624 176.870 0.256 0.000 1.099 402 L CA 0.119 55.136 54.840 0.295 0.000 0.872 402 L CB 0.104 42.294 42.059 0.217 0.000 1.088 402 L HN -0.088 nan 8.230 nan 0.000 0.479 403 S N -0.954 114.791 115.700 0.075 0.000 2.538 403 S HA 0.420 4.890 4.470 0.001 0.000 0.288 403 S C -2.087 172.062 174.600 -0.753 0.000 1.108 403 S CA -1.305 56.715 58.200 -0.300 0.000 0.971 403 S CB 1.860 65.013 63.200 -0.079 0.000 1.041 403 S HN -0.232 nan 8.310 nan 0.000 0.483 404 P HA 0.136 nan 4.420 nan 0.000 0.216 404 P C 0.670 177.803 177.300 -0.279 0.000 1.153 404 P CA 1.674 64.207 63.100 -0.946 0.000 0.858 404 P CB -0.124 31.163 31.700 -0.689 0.000 0.789 405 G N -2.006 106.691 108.800 -0.172 0.000 2.347 405 G HA2 0.149 4.110 3.960 0.001 0.000 0.477 405 G HA3 0.149 4.110 3.960 0.001 0.000 0.477 405 G C -1.729 173.190 174.900 0.031 0.000 1.349 405 G CA -0.846 44.260 45.100 0.011 0.000 1.000 405 G HN 0.046 nan 8.290 nan 0.000 0.605 406 I N -0.017 120.599 120.570 0.077 0.000 2.686 406 I HA 0.517 4.687 4.170 0.001 0.000 0.295 406 I C -0.221 175.799 176.117 -0.161 0.000 1.114 406 I CA -0.936 60.277 61.300 -0.145 0.000 1.038 406 I CB 2.358 40.105 38.000 -0.420 0.000 1.238 406 I HN 0.426 nan 8.210 nan 0.000 0.420 407 I N 5.205 125.666 120.570 -0.183 0.000 2.339 407 I HA 0.335 4.506 4.170 0.001 0.000 0.290 407 I C -0.948 175.040 176.117 -0.215 0.000 0.994 407 I CA -0.459 60.812 61.300 -0.049 0.000 1.191 407 I CB 0.971 39.052 38.000 0.135 0.000 1.343 407 I HN 0.386 nan 8.210 nan 0.000 0.458 408 Y N 4.679 124.820 120.300 -0.265 0.000 2.453 408 Y HA 0.457 5.008 4.550 0.001 0.000 0.326 408 Y C 0.231 175.889 175.900 -0.405 0.000 1.186 408 Y CA -0.448 57.385 58.100 -0.444 0.000 1.200 408 Y CB 1.165 39.022 38.460 -1.005 0.000 1.247 408 Y HN 0.460 nan 8.280 nan 0.000 0.482 409 H N 0.882 119.795 119.070 -0.261 0.000 2.806 409 H HA 0.537 5.094 4.556 0.001 0.000 0.367 409 H C -1.800 173.340 175.328 -0.314 0.000 1.136 409 H CA -0.754 54.966 56.048 -0.547 0.000 1.178 409 H CB 2.126 31.469 29.762 -0.698 0.000 1.718 409 H HN 0.807 nan 8.280 nan 0.000 0.540 410 C N 5.259 123.980 119.300 -0.966 0.000 2.505 410 C HA 0.164 4.624 4.460 0.001 0.000 0.342 410 C C -0.736 173.882 174.990 -0.619 0.000 1.121 410 C CA -0.705 57.965 59.018 -0.580 0.000 1.306 410 C CB 0.361 27.980 27.740 -0.202 0.000 1.897 410 C HN 0.889 nan 8.230 nan 0.000 0.446 411 D N 4.282 124.400 120.400 -0.470 0.000 2.338 411 D HA 0.181 4.821 4.640 0.001 0.000 0.255 411 D C 0.858 177.131 176.300 -0.045 0.000 1.237 411 D CA 0.018 53.892 54.000 -0.209 0.000 0.883 411 D CB 0.711 41.469 40.800 -0.070 0.000 1.087 411 D HN 0.695 nan 8.370 nan 0.000 0.485 412 L N 3.102 124.344 121.223 0.032 0.000 2.627 412 L HA 0.007 4.348 4.340 0.001 0.000 0.233 412 L C 2.021 179.001 176.870 0.183 0.000 1.144 412 L CA 0.494 55.438 54.840 0.174 0.000 0.892 412 L CB -0.348 41.898 42.059 0.312 0.000 1.039 412 L HN 0.463 nan 8.230 nan 0.000 0.442 413 T N -4.597 110.015 114.554 0.098 0.000 3.081 413 T HA 0.074 4.425 4.350 0.001 0.000 0.255 413 T C 0.954 175.695 174.700 0.067 0.000 1.113 413 T CA -0.161 61.983 62.100 0.074 0.000 1.082 413 T CB 0.123 69.020 68.868 0.049 0.000 0.939 413 T HN -0.075 nan 8.240 nan 0.000 0.506 414 K N 2.036 122.476 120.400 0.066 0.000 2.218 414 K HA 0.281 4.601 4.320 0.001 0.000 0.276 414 K C 1.046 177.683 176.600 0.061 0.000 1.022 414 K CA -0.385 55.932 56.287 0.050 0.000 0.946 414 K CB 1.177 33.697 32.500 0.034 0.000 1.000 414 K HN 0.105 nan 8.250 nan 0.000 0.468 415 E N 1.341 121.567 120.200 0.044 0.000 2.051 415 E HA -0.143 4.207 4.350 0.001 0.000 0.192 415 E C -0.120 176.497 176.600 0.029 0.000 0.991 415 E CA 1.313 57.737 56.400 0.041 0.000 0.799 415 E CB 0.262 29.977 29.700 0.025 0.000 0.748 415 E HN 0.390 nan 8.360 nan 0.000 0.449 416 E N 1.128 121.339 120.200 0.019 0.000 2.044 416 E HA 0.175 4.525 4.350 0.001 0.000 0.282 416 E C -0.256 176.352 176.600 0.014 0.000 1.031 416 E CA -0.232 56.172 56.400 0.006 0.000 0.824 416 E CB 0.427 30.127 29.700 0.001 0.000 1.076 416 E HN 0.148 nan 8.360 nan 0.000 0.395 417 L N 3.809 125.037 121.223 0.008 0.000 2.536 417 L HA 0.063 4.404 4.340 0.001 0.000 0.282 417 L C 0.507 177.409 176.870 0.052 0.000 1.147 417 L CA 0.436 55.298 54.840 0.037 0.000 0.936 417 L CB -0.169 41.904 42.059 0.024 0.000 1.279 417 L HN 0.210 nan 8.230 nan 0.000 0.461 418 E N 5.762 125.989 120.200 0.044 0.000 2.103 418 E HA 0.246 4.596 4.350 0.001 0.000 0.254 418 E C -2.192 174.440 176.600 0.054 0.000 0.940 418 E CA -1.868 54.559 56.400 0.045 0.000 0.771 418 E CB 0.883 30.598 29.700 0.025 0.000 1.153 418 E HN 0.351 nan 8.360 nan 0.000 0.428 419 P HA 0.093 nan 4.420 nan 0.000 0.271 419 P C -0.588 176.772 177.300 0.101 0.000 1.216 419 P CA -0.056 63.097 63.100 0.089 0.000 0.771 419 P CB 1.027 32.831 31.700 0.174 0.000 0.864 420 R N 1.195 121.759 120.500 0.107 0.000 2.744 420 R HA 0.467 4.807 4.340 0.001 0.000 0.279 420 R C -0.685 175.707 176.300 0.153 0.000 0.977 420 R CA -1.291 54.889 56.100 0.133 0.000 0.906 420 R CB 1.830 32.182 30.300 0.088 0.000 1.197 420 R HN 0.181 nan 8.270 nan 0.000 0.463 421 V N 3.277 123.236 119.914 0.075 0.000 2.493 421 V HA -0.060 4.060 4.120 0.001 0.000 0.292 421 V C 0.431 176.499 176.094 -0.044 0.000 1.016 421 V CA 0.841 63.078 62.300 -0.105 0.000 1.097 421 V CB 0.157 31.887 31.823 -0.153 0.000 0.947 421 V HN 0.685 nan 8.190 nan 0.000 0.479 422 F N 4.833 124.652 119.950 -0.219 0.000 2.453 422 F HA 0.410 4.937 4.527 0.001 0.000 0.284 422 F C 1.184 176.819 175.800 -0.275 0.000 1.065 422 F CA 0.217 58.094 58.000 -0.204 0.000 1.411 422 F CB 0.436 39.372 39.000 -0.106 0.000 1.131 422 F HN 0.369 nan 8.300 nan 0.000 0.582 423 R N 0.593 120.963 120.500 -0.217 0.000 2.548 423 R HA 0.323 4.663 4.340 0.001 0.000 0.280 423 R C -1.728 174.443 176.300 -0.215 0.000 1.061 423 R CA -0.493 55.410 56.100 -0.328 0.000 0.915 423 R CB 1.583 31.670 30.300 -0.355 0.000 1.210 423 R HN 0.146 nan 8.270 nan 0.000 0.442 424 E N 3.627 123.712 120.200 -0.193 0.000 2.302 424 E HA 0.337 4.688 4.350 0.001 0.000 0.263 424 E C -1.445 175.105 176.600 -0.083 0.000 0.897 424 E CA -0.808 55.513 56.400 -0.133 0.000 0.809 424 E CB 1.641 31.252 29.700 -0.149 0.000 1.270 424 E HN 0.392 nan 8.360 nan 0.000 0.410 425 V N 1.220 121.113 119.914 -0.035 0.000 2.581 425 V HA 0.771 4.891 4.120 0.001 0.000 0.303 425 V C -0.367 175.672 176.094 -0.092 0.000 1.041 425 V CA -0.275 62.022 62.300 -0.005 0.000 0.907 425 V CB 1.748 33.652 31.823 0.135 0.000 0.994 425 V HN 0.580 nan 8.190 nan 0.000 0.442 426 T N 3.384 117.884 114.554 -0.090 0.000 2.861 426 T HA 0.552 4.903 4.350 0.001 0.000 0.287 426 T C -0.532 174.088 174.700 -0.133 0.000 1.003 426 T CA -0.356 61.664 62.100 -0.133 0.000 0.977 426 T CB 1.726 70.548 68.868 -0.077 0.000 0.996 426 T HN 0.723 nan 8.240 nan 0.000 0.448 427 V N 4.646 124.449 119.914 -0.184 0.000 2.339 427 V HA 0.256 4.376 4.120 0.001 0.000 0.261 427 V C 0.489 176.573 176.094 -0.018 0.000 1.058 427 V CA -0.634 61.593 62.300 -0.122 0.000 0.897 427 V CB 0.235 31.969 31.823 -0.148 0.000 1.052 427 V HN 0.699 nan 8.190 nan 0.000 0.480 428 K N 3.673 124.079 120.400 0.010 0.000 2.412 428 K HA 0.467 4.787 4.320 0.001 0.000 0.284 428 K C 1.133 177.762 176.600 0.048 0.000 1.046 428 K CA 0.781 57.084 56.287 0.027 0.000 0.999 428 K CB 0.688 33.205 32.500 0.028 0.000 0.941 428 K HN 0.988 nan 8.250 nan 0.000 0.474 429 G N 2.949 111.782 108.800 0.054 0.000 3.006 429 G HA2 -0.117 3.844 3.960 0.001 0.000 0.195 429 G HA3 -0.117 3.844 3.960 0.001 0.000 0.195 429 G C -0.293 174.658 174.900 0.086 0.000 1.034 429 G CA -0.696 44.449 45.100 0.075 0.000 0.807 429 G HN 0.434 nan 8.290 nan 0.000 0.469 430 I N 2.244 122.868 120.570 0.090 0.000 2.389 430 I HA 0.427 4.597 4.170 0.001 0.000 0.288 430 I C -1.305 174.896 176.117 0.141 0.000 0.999 430 I CA -0.875 60.505 61.300 0.134 0.000 1.129 430 I CB 1.450 39.527 38.000 0.127 0.000 1.288 430 I HN 0.109 nan 8.210 nan 0.000 0.444 431 D N 5.166 125.660 120.400 0.157 0.000 2.428 431 D HA 0.450 5.090 4.640 0.001 0.000 0.221 431 D C 1.075 177.463 176.300 0.147 0.000 1.123 431 D CA -0.233 53.818 54.000 0.085 0.000 0.869 431 D CB 1.574 42.370 40.800 -0.007 0.000 1.032 431 D HN 0.626 nan 8.370 nan 0.000 0.506 432 A N 2.692 125.614 122.820 0.169 0.000 2.032 432 A HA -0.182 4.139 4.320 0.001 0.000 0.221 432 A C 2.067 179.733 177.584 0.136 0.000 1.165 432 A CA 1.612 53.785 52.037 0.226 0.000 0.645 432 A CB -0.317 18.772 19.000 0.148 0.000 0.807 432 A HN 0.545 nan 8.150 nan 0.000 0.453 433 S N 0.301 116.022 115.700 0.035 0.000 2.469 433 S HA -0.100 4.370 4.470 0.001 0.000 0.238 433 S C 0.979 175.513 174.600 -0.111 0.000 0.998 433 S CA 1.156 59.344 58.200 -0.020 0.000 0.957 433 S CB -0.244 62.941 63.200 -0.025 0.000 0.764 433 S HN 0.615 nan 8.310 nan 0.000 0.514 434 D N -0.078 120.162 120.400 -0.267 0.000 2.348 434 D HA 0.135 4.775 4.640 0.001 0.000 0.211 434 D C -0.146 175.750 176.300 -0.672 0.000 0.998 434 D CA 0.569 54.252 54.000 -0.529 0.000 0.873 434 D CB 0.165 40.497 40.800 -0.781 0.000 0.925 434 D HN 0.414 nan 8.370 nan 0.000 0.524 435 Y N 0.377 120.657 120.300 -0.032 0.000 2.621 435 Y HA 0.438 4.989 4.550 0.001 0.000 0.334 435 Y C 0.441 176.295 175.900 -0.077 0.000 1.074 435 Y CA -1.211 56.853 58.100 -0.060 0.000 1.149 435 Y CB 1.151 39.581 38.460 -0.050 0.000 1.302 435 Y HN -0.280 nan 8.280 nan 0.000 0.501 436 Q N -0.754 119.043 119.800 -0.006 0.000 2.418 436 Q HA 0.729 5.070 4.340 0.001 0.000 0.282 436 Q C -1.765 174.156 176.000 -0.132 0.000 1.044 436 Q CA -1.068 54.694 55.803 -0.068 0.000 0.813 436 Q CB 2.317 30.992 28.738 -0.105 0.000 1.428 436 Q HN 0.578 nan 8.270 nan 0.000 0.402 437 T N 1.578 116.129 114.554 -0.006 0.000 2.807 437 T HA 0.605 4.955 4.350 0.001 0.000 0.279 437 T C -0.558 174.214 174.700 0.121 0.000 0.993 437 T CA -0.571 61.553 62.100 0.040 0.000 0.970 437 T CB 1.393 70.347 68.868 0.143 0.000 0.950 437 T HN 0.605 nan 8.240 nan 0.000 0.441 438 V N 1.644 121.650 119.914 0.153 0.000 2.823 438 V HA 0.742 4.862 4.120 0.001 0.000 0.312 438 V C -0.916 175.300 176.094 0.203 0.000 1.072 438 V CA -1.076 61.338 62.300 0.191 0.000 0.937 438 V CB 2.005 33.952 31.823 0.206 0.000 1.013 438 V HN 0.869 nan 8.190 nan 0.000 0.430 439 Q N 2.762 122.642 119.800 0.134 0.000 2.331 439 Q HA 0.749 5.089 4.340 0.001 0.000 0.267 439 Q C -1.208 174.677 176.000 -0.192 0.000 1.006 439 Q CA -0.750 54.986 55.803 -0.111 0.000 0.818 439 Q CB 1.931 30.560 28.738 -0.182 0.000 1.276 439 Q HN 0.975 nan 8.270 nan 0.000 0.450 440 I N -0.508 119.846 120.570 -0.359 0.000 3.108 440 I HA 0.678 4.849 4.170 0.001 0.000 0.312 440 I C -1.458 174.301 176.117 -0.597 0.000 1.095 440 I CA -0.874 60.271 61.300 -0.259 0.000 1.000 440 I CB 1.590 39.541 38.000 -0.081 0.000 1.229 440 I HN 0.415 nan 8.210 nan 0.000 0.454 441 F N 2.990 122.898 119.950 -0.070 0.000 2.499 441 F HA 0.573 5.100 4.527 0.001 0.000 0.333 441 F C -0.807 174.949 175.800 -0.075 0.000 1.138 441 F CA -0.524 57.409 58.000 -0.112 0.000 0.945 441 F CB 1.502 40.440 39.000 -0.103 0.000 1.181 441 F HN 0.522 nan 8.300 nan 0.000 0.435 442 Y N 2.379 122.652 120.300 -0.044 0.000 2.420 442 Y HA 0.816 5.367 4.550 0.001 0.000 0.334 442 Y C -3.075 172.868 175.900 0.071 0.000 1.094 442 Y CA -3.873 54.216 58.100 -0.017 0.000 1.126 442 Y CB 1.001 39.354 38.460 -0.178 0.000 1.217 442 Y HN 0.255 nan 8.280 nan 0.000 0.462 443 P HA 0.101 nan 4.420 nan 0.000 0.280 443 P C -0.319 177.078 177.300 0.161 0.000 1.244 443 P CA -0.118 63.037 63.100 0.092 0.000 0.784 443 P CB 2.026 33.790 31.700 0.108 0.000 0.913 444 S N 1.935 117.672 115.700 0.063 0.000 2.652 444 S HA 0.116 4.586 4.470 0.001 0.000 0.267 444 S C 1.557 176.205 174.600 0.079 0.000 1.201 444 S CA -0.492 57.772 58.200 0.106 0.000 0.996 444 S CB 0.280 63.493 63.200 0.022 0.000 1.054 444 S HN 0.483 nan 8.310 nan 0.000 0.561 445 K N 0.316 120.755 120.400 0.065 0.000 2.074 445 K HA -0.183 4.138 4.320 0.001 0.000 0.209 445 K C 1.002 177.614 176.600 0.019 0.000 1.048 445 K CA 2.208 58.520 56.287 0.043 0.000 0.926 445 K CB -0.495 32.025 32.500 0.033 0.000 0.713 445 K HN 0.756 nan 8.250 nan 0.000 0.444 446 D N -1.822 118.576 120.400 -0.003 0.000 2.340 446 D HA 0.045 4.685 4.640 0.001 0.000 0.220 446 D C 1.033 177.325 176.300 -0.013 0.000 1.039 446 D CA 0.830 54.820 54.000 -0.017 0.000 0.866 446 D CB 0.387 41.161 40.800 -0.043 0.000 0.913 446 D HN 0.459 nan 8.370 nan 0.000 0.523 447 G N -0.566 108.235 108.800 0.001 0.000 2.213 447 G HA2 -0.262 3.698 3.960 0.001 0.000 0.236 447 G HA3 -0.262 3.698 3.960 0.001 0.000 0.236 447 G C 0.453 175.348 174.900 -0.008 0.000 0.991 447 G CA 0.170 45.272 45.100 0.004 0.000 0.629 447 G HN 0.446 nan 8.290 nan 0.000 0.517 448 T N 3.401 117.939 114.554 -0.026 0.000 2.902 448 T HA 0.400 4.751 4.350 0.001 0.000 0.301 448 T C 0.407 175.090 174.700 -0.029 0.000 1.012 448 T CA 0.214 62.297 62.100 -0.027 0.000 1.151 448 T CB 1.002 69.832 68.868 -0.063 0.000 0.946 448 T HN 0.169 nan 8.240 nan 0.000 0.542 449 K N 3.897 124.291 120.400 -0.011 0.000 2.312 449 K HA 0.305 4.626 4.320 0.001 0.000 0.287 449 K C -0.089 176.527 176.600 0.027 0.000 1.062 449 K CA -0.382 55.888 56.287 -0.028 0.000 0.934 449 K CB 0.578 33.061 32.500 -0.029 0.000 1.027 449 K HN 0.439 nan 8.250 nan 0.000 0.478 450 I N 5.341 125.775 120.570 -0.227 0.000 2.404 450 I HA 0.320 4.491 4.170 0.001 0.000 0.293 450 I C -2.310 173.655 176.117 -0.253 0.000 0.992 450 I CA -3.097 58.086 61.300 -0.195 0.000 1.149 450 I CB 1.346 38.975 38.000 -0.618 0.000 1.315 450 I HN 0.163 nan 8.210 nan 0.000 0.446 451 P HA 0.456 nan 4.420 nan 0.000 0.278 451 P C -0.765 176.368 177.300 -0.279 0.000 1.238 451 P CA -0.565 62.279 63.100 -0.425 0.000 0.794 451 P CB 1.017 32.526 31.700 -0.319 0.000 0.955 452 M N 2.591 121.932 119.600 -0.431 0.000 2.322 452 M HA 0.466 4.946 4.480 0.001 0.000 0.285 452 M C -1.920 174.203 176.300 -0.295 0.000 1.119 452 M CA -0.554 54.627 55.300 -0.199 0.000 0.953 452 M CB 1.136 33.727 32.600 -0.016 0.000 1.701 452 M HN 0.004 nan 8.290 nan 0.000 0.479 453 F N 5.066 125.008 119.950 -0.014 0.000 2.404 453 F HA 0.648 5.175 4.527 0.001 0.000 0.339 453 F C -0.244 175.485 175.800 -0.119 0.000 1.105 453 F CA -0.318 57.664 58.000 -0.031 0.000 1.087 453 F CB 1.248 40.300 39.000 0.086 0.000 1.143 453 F HN 0.376 nan 8.300 nan 0.000 0.491 454 I N 3.579 124.194 120.570 0.075 0.000 2.499 454 I HA 0.421 4.591 4.170 0.001 0.000 0.288 454 I C -1.247 174.858 176.117 -0.019 0.000 1.048 454 I CA -0.861 60.428 61.300 -0.018 0.000 1.062 454 I CB 1.958 39.899 38.000 -0.099 0.000 1.238 454 I HN 0.122 nan 8.210 nan 0.000 0.426 455 V N 5.820 125.685 119.914 -0.083 0.000 2.448 455 V HA 0.593 4.714 4.120 0.001 0.000 0.295 455 V C -0.732 175.389 176.094 0.046 0.000 1.025 455 V CA -0.447 61.777 62.300 -0.127 0.000 0.859 455 V CB 1.431 33.085 31.823 -0.282 0.000 0.988 455 V HN 0.965 nan 8.190 nan 0.000 0.431 456 H N 1.567 120.678 119.070 0.070 0.000 2.967 456 H HA 0.559 5.116 4.556 0.001 0.000 0.318 456 H C -0.761 174.676 175.328 0.181 0.000 1.375 456 H CA -1.157 54.950 56.048 0.099 0.000 1.132 456 H CB 1.179 30.992 29.762 0.086 0.000 1.848 456 H HN 0.484 nan 8.280 nan 0.000 0.524 457 K N 1.388 121.994 120.400 0.344 0.000 2.382 457 K HA 0.127 4.447 4.320 0.001 0.000 0.275 457 K C -0.549 176.161 176.600 0.184 0.000 1.009 457 K CA -0.488 55.916 56.287 0.195 0.000 0.970 457 K CB 0.494 33.040 32.500 0.076 0.000 0.934 457 K HN 0.621 nan 8.250 nan 0.000 0.479 458 K N 1.574 121.986 120.400 0.021 0.000 2.401 458 K HA 0.049 4.369 4.320 0.001 0.000 0.278 458 K C 0.660 177.289 176.600 0.049 0.000 1.018 458 K CA 0.858 57.173 56.287 0.047 0.000 0.981 458 K CB 0.548 33.032 32.500 -0.025 0.000 0.933 458 K HN 0.942 nan 8.250 nan 0.000 0.477 459 G N 2.439 111.287 108.800 0.081 0.000 2.143 459 G HA2 -0.260 3.700 3.960 0.001 0.000 0.249 459 G HA3 -0.260 3.700 3.960 0.001 0.000 0.249 459 G C 0.235 175.142 174.900 0.012 0.000 0.981 459 G CA 0.294 45.416 45.100 0.036 0.000 0.665 459 G HN 0.734 nan 8.290 nan 0.000 0.528 460 I N -1.799 118.768 120.570 -0.005 0.000 2.634 460 I HA 0.549 4.720 4.170 0.001 0.000 0.284 460 I C 0.467 176.554 176.117 -0.050 0.000 1.124 460 I CA -0.491 60.766 61.300 -0.072 0.000 1.417 460 I CB 0.591 38.410 38.000 -0.301 0.000 1.396 460 I HN -0.052 nan 8.210 nan 0.000 0.571 461 K N 6.203 126.629 120.400 0.043 0.000 2.297 461 K HA 0.372 4.692 4.320 0.001 0.000 0.286 461 K C -0.514 176.122 176.600 0.059 0.000 1.053 461 K CA -0.461 55.840 56.287 0.023 0.000 0.940 461 K CB 1.215 33.726 32.500 0.018 0.000 1.019 461 K HN 0.617 nan 8.250 nan 0.000 0.475 462 L N 4.930 126.104 121.223 -0.082 0.000 2.376 462 L HA 0.010 4.351 4.340 0.001 0.000 0.250 462 L C 0.270 177.070 176.870 -0.117 0.000 1.335 462 L CA 0.008 54.749 54.840 -0.165 0.000 1.214 462 L CB -0.625 41.228 42.059 -0.343 0.000 1.395 462 L HN 0.695 nan 8.230 nan 0.000 0.424 463 D N -0.862 119.487 120.400 -0.085 0.000 2.395 463 D HA 0.103 4.743 4.640 0.001 0.000 0.213 463 D C 1.316 177.536 176.300 -0.132 0.000 1.110 463 D CA 0.226 54.160 54.000 -0.111 0.000 0.835 463 D CB 0.626 41.361 40.800 -0.108 0.000 0.965 463 D HN 0.356 nan 8.370 nan 0.000 0.505 464 G N 0.719 109.445 108.800 -0.124 0.000 2.155 464 G HA2 -0.351 3.610 3.960 0.001 0.000 0.257 464 G HA3 -0.351 3.610 3.960 0.001 0.000 0.257 464 G C 1.038 175.852 174.900 -0.144 0.000 0.983 464 G CA 0.805 45.851 45.100 -0.090 0.000 0.676 464 G HN 0.694 nan 8.290 nan 0.000 0.528 465 S N -0.430 115.067 115.700 -0.338 0.000 2.548 465 S HA 0.213 4.683 4.470 0.001 0.000 0.215 465 S C 0.788 175.184 174.600 -0.340 0.000 0.976 465 S CA 0.049 58.044 58.200 -0.341 0.000 0.908 465 S CB 0.060 63.040 63.200 -0.366 0.000 0.781 465 S HN 0.619 nan 8.310 nan 0.000 0.519 466 H N 3.196 122.279 119.070 0.022 0.000 2.487 466 H HA 0.428 4.985 4.556 0.001 0.000 0.333 466 H C -2.750 172.632 175.328 0.090 0.000 1.114 466 H CA -2.154 53.916 56.048 0.038 0.000 1.310 466 H CB 0.449 30.236 29.762 0.041 0.000 1.462 466 H HN 0.250 nan 8.280 nan 0.000 0.516 467 P HA 0.290 nan 4.420 nan 0.000 0.279 467 P C -0.885 176.669 177.300 0.423 0.000 1.239 467 P CA -0.393 62.876 63.100 0.281 0.000 0.789 467 P CB 1.225 33.078 31.700 0.254 0.000 0.933 468 A N 2.964 126.081 122.820 0.494 0.000 2.413 468 A HA 0.709 5.029 4.320 0.001 0.000 0.307 468 A C -1.696 176.200 177.584 0.520 0.000 1.087 468 A CA -0.624 51.728 52.037 0.525 0.000 0.750 468 A CB 1.189 20.379 19.000 0.316 0.000 1.296 468 A HN 0.486 nan 8.150 nan 0.000 0.423 469 F N 2.231 122.336 119.950 0.258 0.000 2.513 469 F HA 0.559 5.087 4.527 0.001 0.000 0.358 469 F C -1.035 174.829 175.800 0.105 0.000 1.118 469 F CA -0.814 57.194 58.000 0.013 0.000 1.037 469 F CB 1.394 40.183 39.000 -0.353 0.000 1.276 469 F HN 0.473 nan 8.300 nan 0.000 0.446 470 L N 8.017 129.188 121.223 -0.087 0.000 2.272 470 L HA 0.442 4.782 4.340 0.001 0.000 0.289 470 L C -1.788 175.125 176.870 0.073 0.000 1.032 470 L CA -0.559 54.285 54.840 0.006 0.000 0.810 470 L CB 0.651 42.645 42.059 -0.108 0.000 1.205 470 L HN 0.599 nan 8.230 nan 0.000 0.422 471 Y N 4.330 124.712 120.300 0.136 0.000 2.446 471 Y HA 0.829 5.380 4.550 0.001 0.000 0.338 471 Y C 0.112 176.208 175.900 0.327 0.000 1.055 471 Y CA -0.040 58.170 58.100 0.183 0.000 1.101 471 Y CB 1.964 40.543 38.460 0.200 0.000 1.221 471 Y HN 0.736 nan 8.280 nan 0.000 0.460 472 G N 2.982 111.404 108.800 -0.630 0.000 2.677 472 G HA2 0.306 4.266 3.960 0.001 0.000 0.291 472 G HA3 0.306 4.266 3.960 0.001 0.000 0.291 472 G C -2.076 172.407 174.900 -0.695 0.000 1.435 472 G CA -0.414 44.366 45.100 -0.533 0.000 0.826 472 G HN 0.651 nan 8.290 nan 0.000 0.491 473 Y N 0.135 120.164 120.300 -0.452 0.000 3.274 473 Y HA 0.471 5.021 4.550 0.001 0.000 0.174 473 Y C 1.474 177.238 175.900 -0.226 0.000 0.880 473 Y CA 1.554 59.470 58.100 -0.307 0.000 1.793 473 Y CB 0.493 38.882 38.460 -0.118 0.000 1.409 473 Y HN 1.766 nan 8.280 nan 0.000 0.368 474 G N 1.196 109.991 108.800 -0.007 0.000 2.531 474 G HA2 0.351 4.312 3.960 0.001 0.000 0.283 474 G HA3 0.351 4.312 3.960 0.001 0.000 0.283 474 G C 0.001 174.772 174.900 -0.216 0.000 1.068 474 G CA 0.500 45.531 45.100 -0.116 0.000 1.273 474 G HN 1.402 nan 8.290 nan 0.000 0.532 475 G N -1.005 107.792 108.800 -0.005 0.000 2.325 475 G HA2 0.614 4.574 3.960 0.001 0.000 0.297 475 G HA3 0.614 4.574 3.960 0.001 0.000 0.297 475 G C 0.009 175.031 174.900 0.204 0.000 1.448 475 G CA 0.154 45.203 45.100 -0.084 0.000 0.838 475 G HN 1.497 nan 8.290 nan 0.000 0.579 476 F N -0.331 119.613 119.950 -0.009 0.000 3.100 476 F HA -0.251 4.277 4.527 0.001 0.000 0.284 476 F C 1.324 176.938 175.800 -0.312 0.000 0.875 476 F CA 1.388 59.318 58.000 -0.116 0.000 1.039 476 F CB -1.469 37.513 39.000 -0.030 0.000 1.111 476 F HN 1.163 nan 8.300 nan 0.000 0.575 477 N N -0.530 117.915 118.700 -0.425 0.000 2.741 477 N HA -0.206 4.534 4.740 0.001 0.000 0.251 477 N C -0.540 174.952 175.510 -0.029 0.000 1.112 477 N CA 1.010 53.874 53.050 -0.310 0.000 0.750 477 N CB -0.633 37.583 38.487 -0.452 0.000 1.119 477 N HN 0.360 nan 8.380 nan 0.000 0.561 478 I N 0.779 121.398 120.570 0.082 0.000 2.342 478 I HA 0.192 4.362 4.170 0.001 0.000 0.291 478 I C 0.489 176.657 176.117 0.085 0.000 1.010 478 I CA -0.202 61.131 61.300 0.054 0.000 1.308 478 I CB 1.163 39.148 38.000 -0.026 0.000 1.400 478 I HN 0.054 nan 8.210 nan 0.000 0.488 479 S N 6.840 122.564 115.700 0.040 0.000 2.475 479 S HA 0.462 4.933 4.470 0.001 0.000 0.281 479 S C 0.196 174.835 174.600 0.065 0.000 1.198 479 S CA -0.539 57.694 58.200 0.055 0.000 1.063 479 S CB 0.994 64.195 63.200 0.002 0.000 0.972 479 S HN 0.252 nan 8.310 nan 0.000 0.486 480 I N 4.888 125.537 120.570 0.132 0.000 2.256 480 I HA 0.163 4.333 4.170 0.001 0.000 0.294 480 I C 1.121 177.356 176.117 0.196 0.000 1.127 480 I CA -0.208 61.198 61.300 0.178 0.000 1.247 480 I CB -0.906 37.274 38.000 0.299 0.000 1.460 480 I HN 0.571 nan 8.210 nan 0.000 0.511 481 T N 4.115 118.724 114.554 0.091 0.000 2.927 481 T HA 0.567 4.918 4.350 0.001 0.000 0.281 481 T C -2.587 171.990 174.700 -0.204 0.000 0.998 481 T CA -2.155 59.958 62.100 0.022 0.000 1.019 481 T CB 1.285 70.145 68.868 -0.013 0.000 1.061 481 T HN 0.164 nan 8.240 nan 0.000 0.518 482 P HA 0.271 nan 4.420 nan 0.000 0.262 482 P C -0.673 176.167 177.300 -0.767 0.000 1.182 482 P CA 0.126 62.445 63.100 -1.301 0.000 0.761 482 P CB 0.225 31.108 31.700 -1.362 0.000 0.795 483 N N 1.849 120.139 118.700 -0.684 0.000 2.396 483 N HA 0.234 4.975 4.740 0.001 0.000 0.275 483 N C -1.966 173.498 175.510 -0.075 0.000 1.218 483 N CA -0.760 52.135 53.050 -0.257 0.000 0.812 483 N CB 0.849 39.264 38.487 -0.120 0.000 1.592 483 N HN 0.158 nan 8.380 nan 0.000 0.480 484 Y N 1.557 121.802 120.300 -0.092 0.000 2.393 484 Y HA 0.437 4.987 4.550 0.001 0.000 0.338 484 Y C -0.250 175.691 175.900 0.068 0.000 1.029 484 Y CA 0.101 58.202 58.100 0.002 0.000 1.239 484 Y CB 0.536 39.002 38.460 0.010 0.000 1.170 484 Y HN 0.366 nan 8.280 nan 0.000 0.515 485 S N 5.675 121.132 115.700 -0.405 0.000 2.733 485 S HA 0.340 4.810 4.470 0.001 0.000 0.307 485 S C 0.297 174.620 174.600 -0.462 0.000 1.127 485 S CA -0.736 57.281 58.200 -0.304 0.000 1.097 485 S CB 0.620 63.743 63.200 -0.129 0.000 1.003 485 S HN 0.632 nan 8.310 nan 0.000 0.477 486 V N 4.926 124.617 119.914 -0.372 0.000 2.407 486 V HA -0.140 3.981 4.120 0.001 0.000 0.248 486 V C 2.697 178.688 176.094 -0.171 0.000 1.055 486 V CA 2.451 64.609 62.300 -0.235 0.000 1.049 486 V CB -0.936 30.949 31.823 0.104 0.000 0.662 486 V HN 0.978 nan 8.190 nan 0.000 0.455 487 S N 0.697 116.325 115.700 -0.122 0.000 2.368 487 S HA -0.258 4.213 4.470 0.001 0.000 0.225 487 S C 2.054 176.504 174.600 -0.250 0.000 1.030 487 S CA 1.478 59.634 58.200 -0.073 0.000 0.999 487 S CB -0.506 62.741 63.200 0.078 0.000 0.844 487 S HN 0.588 nan 8.310 nan 0.000 0.459 488 R N 0.851 121.218 120.500 -0.221 0.000 2.092 488 R HA 0.213 4.554 4.340 0.001 0.000 0.231 488 R C 2.348 178.531 176.300 -0.194 0.000 1.119 488 R CA 1.225 57.180 56.100 -0.241 0.000 0.970 488 R CB -0.575 29.633 30.300 -0.153 0.000 0.864 488 R HN 0.408 nan 8.270 nan 0.000 0.440 489 L N 0.359 121.437 121.223 -0.243 0.000 2.201 489 L HA -0.120 4.220 4.340 0.001 0.000 0.212 489 L C 2.185 178.906 176.870 -0.248 0.000 1.105 489 L CA 0.999 55.663 54.840 -0.294 0.000 0.775 489 L CB -0.246 41.613 42.059 -0.333 0.000 0.913 489 L HN 0.192 nan 8.230 nan 0.000 0.440 490 I N -1.020 119.433 120.570 -0.194 0.000 2.394 490 I HA -0.298 3.873 4.170 0.001 0.000 0.251 490 I C 2.413 178.467 176.117 -0.105 0.000 1.136 490 I CA 1.107 62.334 61.300 -0.121 0.000 1.425 490 I CB -0.208 37.640 38.000 -0.253 0.000 1.079 490 I HN 0.171 nan 8.210 nan 0.000 0.425 491 F N 1.307 121.058 119.950 -0.331 0.000 2.134 491 F HA -0.181 4.346 4.527 0.001 0.000 0.299 491 F C 2.219 177.936 175.800 -0.139 0.000 1.097 491 F CA 1.534 59.377 58.000 -0.262 0.000 1.264 491 F CB -0.357 38.402 39.000 -0.402 0.000 1.001 491 F HN -0.228 nan 8.300 nan 0.000 0.479 492 V N 0.766 120.553 119.914 -0.212 0.000 2.270 492 V HA -0.242 3.878 4.120 0.001 0.000 0.245 492 V C 2.519 178.459 176.094 -0.256 0.000 1.043 492 V CA 2.212 64.355 62.300 -0.262 0.000 1.014 492 V CB -0.783 30.899 31.823 -0.235 0.000 0.645 492 V HN 0.265 nan 8.190 nan 0.000 0.447 493 R N -0.102 120.228 120.500 -0.283 0.000 2.062 493 R HA -0.103 4.238 4.340 0.001 0.000 0.231 493 R C 2.166 178.119 176.300 -0.577 0.000 1.136 493 R CA 1.832 57.729 56.100 -0.338 0.000 0.948 493 R CB -0.665 29.400 30.300 -0.390 0.000 0.845 493 R HN 0.628 nan 8.270 nan 0.000 0.430 494 H N -1.205 117.594 119.070 -0.451 0.000 2.553 494 H HA 0.236 4.792 4.556 0.001 0.000 0.265 494 H C 0.832 175.730 175.328 -0.717 0.000 0.964 494 H CA 0.809 56.360 56.048 -0.828 0.000 1.156 494 H CB 0.482 29.349 29.762 -1.491 0.000 1.411 494 H HN 0.259 nan 8.280 nan 0.000 0.558 495 M N -1.079 118.307 119.600 -0.357 0.000 2.289 495 M HA 0.218 4.699 4.480 0.001 0.000 0.335 495 M C 0.935 177.046 176.300 -0.315 0.000 0.961 495 M CA 0.086 55.239 55.300 -0.246 0.000 1.018 495 M CB 1.640 34.171 32.600 -0.114 0.000 1.678 495 M HN 0.215 nan 8.290 nan 0.000 0.589 496 G N 1.451 110.063 108.800 -0.313 0.000 2.258 496 G HA2 -0.212 3.748 3.960 0.001 0.000 0.274 496 G HA3 -0.212 3.748 3.960 0.001 0.000 0.274 496 G C 0.272 175.015 174.900 -0.262 0.000 1.021 496 G CA 0.131 45.103 45.100 -0.214 0.000 0.798 496 G HN 0.604 nan 8.290 nan 0.000 0.507 497 G N -1.822 106.623 108.800 -0.592 0.000 2.528 497 G HA2 0.647 4.608 3.960 0.001 0.000 0.289 497 G HA3 0.647 4.608 3.960 0.001 0.000 0.289 497 G C -0.323 174.512 174.900 -0.108 0.000 1.192 497 G CA -0.103 44.604 45.100 -0.655 0.000 0.921 497 G HN 0.889 nan 8.290 nan 0.000 0.512 498 V N 0.818 120.860 119.914 0.215 0.000 2.495 498 V HA 0.406 4.526 4.120 0.001 0.000 0.298 498 V C -0.324 176.007 176.094 0.395 0.000 1.031 498 V CA -0.678 61.782 62.300 0.267 0.000 0.871 498 V CB 1.379 33.352 31.823 0.250 0.000 0.988 498 V HN 0.677 nan 8.190 nan 0.000 0.432 499 L N 4.864 126.247 121.223 0.267 0.000 2.322 499 L HA 0.955 5.295 4.340 0.001 0.000 0.279 499 L C -0.026 176.912 176.870 0.113 0.000 1.036 499 L CA 0.084 55.064 54.840 0.233 0.000 0.807 499 L CB 1.420 43.536 42.059 0.095 0.000 1.226 499 L HN 0.798 nan 8.230 nan 0.000 0.433 500 A N 4.230 127.143 122.820 0.156 0.000 2.488 500 A HA 0.769 5.089 4.320 0.001 0.000 0.298 500 A C -1.774 175.932 177.584 0.203 0.000 1.044 500 A CA -0.527 51.569 52.037 0.099 0.000 0.693 500 A CB 1.771 20.796 19.000 0.042 0.000 1.272 500 A HN 0.528 nan 8.150 nan 0.000 0.402 501 V N 1.584 121.641 119.914 0.239 0.000 2.443 501 V HA 0.678 4.799 4.120 0.001 0.000 0.293 501 V C 0.310 176.610 176.094 0.342 0.000 1.021 501 V CA -0.257 62.277 62.300 0.391 0.000 0.848 501 V CB 1.477 33.604 31.823 0.507 0.000 0.998 501 V HN 1.387 nan 8.190 nan 0.000 0.424 502 A N 3.529 126.570 122.820 0.369 0.000 2.260 502 A HA 0.579 4.900 4.320 0.001 0.000 0.308 502 A C 0.164 177.957 177.584 0.347 0.000 1.254 502 A CA -0.519 51.730 52.037 0.353 0.000 0.874 502 A CB -0.012 19.244 19.000 0.428 0.000 1.153 502 A HN 0.885 nan 8.150 nan 0.000 0.527 503 N N 2.449 121.320 118.700 0.285 0.000 3.303 503 N HA 0.241 4.982 4.740 0.001 0.000 0.304 503 N C 0.368 176.156 175.510 0.464 0.000 1.302 503 N CA -0.203 53.035 53.050 0.312 0.000 1.213 503 N CB -0.123 38.472 38.487 0.181 0.000 1.481 503 N HN 0.795 nan 8.380 nan 0.000 0.546 504 I N -2.407 118.372 120.570 0.349 0.000 3.112 504 I HA 0.112 4.282 4.170 0.001 0.000 0.284 504 I C 0.601 176.763 176.117 0.076 0.000 1.227 504 I CA -0.662 60.767 61.300 0.216 0.000 1.369 504 I CB 0.724 38.791 38.000 0.111 0.000 1.376 504 I HN 0.112 nan 8.210 nan 0.000 0.608 505 R N 2.026 122.287 120.500 -0.399 0.000 2.784 505 R HA 0.278 4.618 4.340 0.001 0.000 0.266 505 R C 1.131 177.173 176.300 -0.430 0.000 1.044 505 R CA 1.106 56.678 56.100 -0.880 0.000 1.151 505 R CB 0.190 29.916 30.300 -0.957 0.000 1.037 505 R HN 1.082 nan 8.270 nan 0.000 0.478 506 G N 0.151 108.744 108.800 -0.344 0.000 2.279 506 G HA2 -0.221 3.740 3.960 0.001 0.000 0.223 506 G HA3 -0.221 3.740 3.960 0.001 0.000 0.223 506 G C 0.494 175.461 174.900 0.112 0.000 1.015 506 G CA -0.261 44.758 45.100 -0.137 0.000 0.621 506 G HN 0.891 nan 8.290 nan 0.000 0.506 507 G N -0.444 108.475 108.800 0.199 0.000 2.553 507 G HA2 0.561 4.522 3.960 0.001 0.000 0.278 507 G HA3 0.561 4.522 3.960 0.001 0.000 0.278 507 G C 1.033 176.161 174.900 0.380 0.000 1.349 507 G CA 0.246 45.535 45.100 0.315 0.000 1.037 507 G HN 1.323 nan 8.290 nan 0.000 0.508 508 G N -1.549 107.397 108.800 0.243 0.000 3.453 508 G HA2 0.274 4.234 3.960 0.001 0.000 0.263 508 G HA3 0.274 4.234 3.960 0.001 0.000 0.263 508 G C 0.944 175.874 174.900 0.049 0.000 1.060 508 G CA 0.158 45.364 45.100 0.177 0.000 0.793 508 G HN 0.518 nan 8.290 nan 0.000 0.532 509 E N 0.145 120.298 120.200 -0.078 0.000 2.130 509 E HA -0.148 4.202 4.350 0.001 0.000 0.196 509 E C 0.213 176.289 176.600 -0.873 0.000 0.998 509 E CA 1.168 57.257 56.400 -0.519 0.000 0.806 509 E CB -0.168 29.121 29.700 -0.685 0.000 0.738 509 E HN 0.589 nan 8.360 nan 0.000 0.459 510 Y N -0.458 119.610 120.300 -0.386 0.000 2.669 510 Y HA 0.429 4.980 4.550 0.001 0.000 0.302 510 Y C 0.789 176.746 175.900 0.095 0.000 1.000 510 Y CA -0.081 57.891 58.100 -0.213 0.000 1.222 510 Y CB 0.764 38.950 38.460 -0.457 0.000 1.209 510 Y HN 0.115 nan 8.280 nan 0.000 0.571 511 G N 0.562 109.491 108.800 0.215 0.000 2.698 511 G HA2 -0.365 3.595 3.960 0.001 0.000 0.233 511 G HA3 -0.365 3.595 3.960 0.001 0.000 0.233 511 G C 0.686 175.772 174.900 0.310 0.000 1.352 511 G CA 0.241 45.512 45.100 0.285 0.000 0.879 511 G HN 0.323 nan 8.290 nan 0.000 0.567 512 E N -0.425 119.909 120.200 0.224 0.000 2.204 512 E HA -0.073 4.278 4.350 0.001 0.000 0.195 512 E C 2.774 179.482 176.600 0.179 0.000 0.990 512 E CA 2.671 59.191 56.400 0.199 0.000 0.821 512 E CB -0.431 29.310 29.700 0.068 0.000 0.750 512 E HN 0.927 nan 8.360 nan 0.000 0.477 513 T N -2.592 112.071 114.554 0.181 0.000 2.904 513 T HA -0.148 4.203 4.350 0.001 0.000 0.267 513 T C 1.815 176.639 174.700 0.207 0.000 1.059 513 T CA 0.827 63.015 62.100 0.146 0.000 1.137 513 T CB -0.742 68.212 68.868 0.143 0.000 0.879 513 T HN 0.393 nan 8.240 nan 0.000 0.467 514 W N 1.636 122.994 121.300 0.097 0.000 2.381 514 W HA -0.119 4.541 4.660 0.001 0.000 0.301 514 W C 2.322 178.890 176.519 0.082 0.000 1.205 514 W CA 1.329 58.737 57.345 0.106 0.000 1.285 514 W CB -0.437 29.137 29.460 0.189 0.000 1.133 514 W HN 0.504 nan 8.180 nan 0.000 0.521 515 H N 0.685 119.846 119.070 0.152 0.000 2.293 515 H HA -0.163 4.394 4.556 0.001 0.000 0.300 515 H C 2.110 177.356 175.328 -0.135 0.000 1.082 515 H CA 1.826 57.871 56.048 -0.006 0.000 1.308 515 H CB -0.075 29.707 29.762 0.035 0.000 1.375 515 H HN 0.038 nan 8.280 nan 0.000 0.495 516 K N -0.092 120.166 120.400 -0.236 0.000 2.280 516 K HA -0.066 4.254 4.320 0.001 0.000 0.202 516 K C 2.150 178.557 176.600 -0.321 0.000 1.047 516 K CA 0.730 56.809 56.287 -0.348 0.000 0.942 516 K CB -0.055 32.318 32.500 -0.212 0.000 0.739 516 K HN 0.364 nan 8.250 nan 0.000 0.457 517 G N 0.460 109.087 108.800 -0.288 0.000 2.776 517 G HA2 -0.086 3.874 3.960 0.001 0.000 0.209 517 G HA3 -0.086 3.874 3.960 0.001 0.000 0.209 517 G C 0.781 175.427 174.900 -0.425 0.000 1.145 517 G CA 0.577 45.468 45.100 -0.350 0.000 0.791 517 G HN 0.369 nan 8.290 nan 0.000 0.530 518 G N 0.165 108.707 108.800 -0.430 0.000 4.683 518 G HA2 0.502 4.463 3.960 0.001 0.000 0.273 518 G HA3 0.502 4.463 3.960 0.001 0.000 0.273 518 G C -0.094 174.527 174.900 -0.464 0.000 1.065 518 G CA -0.251 44.574 45.100 -0.459 0.000 0.837 518 G HN 0.510 nan 8.290 nan 0.000 0.526 519 I N -3.506 116.782 120.570 -0.469 0.000 3.074 519 I HA 0.725 4.896 4.170 0.001 0.000 0.310 519 I C 0.857 176.693 176.117 -0.468 0.000 1.153 519 I CA -1.279 59.744 61.300 -0.462 0.000 0.993 519 I CB 1.511 39.191 38.000 -0.535 0.000 1.237 519 I HN 0.083 nan 8.210 nan 0.000 0.443 520 L N 0.899 121.882 121.223 -0.401 0.000 5.531 520 L HA -0.400 3.940 4.340 0.001 0.000 0.053 520 L C 1.980 178.119 176.870 -1.219 0.000 2.831 520 L CA 1.488 55.957 54.840 -0.618 0.000 1.552 520 L CB -1.854 39.868 42.059 -0.561 0.000 2.889 520 L HN 0.967 nan 8.230 nan 0.000 0.964 521 A N -0.378 121.344 122.820 -1.830 0.000 2.070 521 A HA -0.087 4.234 4.320 0.001 0.000 0.220 521 A C 1.411 178.510 177.584 -0.808 0.000 1.159 521 A CA 2.050 53.028 52.037 -1.764 0.000 0.656 521 A CB -0.575 17.756 19.000 -1.116 0.000 0.800 521 A HN 0.686 nan 8.150 nan 0.000 0.453 522 N N -0.684 117.648 118.700 -0.615 0.000 2.268 522 N HA 0.018 4.759 4.740 0.001 0.000 0.204 522 N C 1.100 176.337 175.510 -0.455 0.000 1.124 522 N CA 0.363 53.149 53.050 -0.439 0.000 0.838 522 N CB 0.470 38.728 38.487 -0.381 0.000 0.994 522 N HN 0.387 nan 8.380 nan 0.000 0.489 523 K N 1.639 121.747 120.400 -0.487 0.000 2.152 523 K HA -0.164 4.156 4.320 0.001 0.000 0.206 523 K C 1.897 178.028 176.600 -0.781 0.000 1.048 523 K CA 1.182 57.105 56.287 -0.606 0.000 0.933 523 K CB -0.059 32.116 32.500 -0.541 0.000 0.721 523 K HN -0.034 nan 8.250 nan 0.000 0.447 524 Q N 0.679 120.203 119.800 -0.459 0.000 2.234 524 Q HA -0.112 4.228 4.340 0.001 0.000 0.206 524 Q C 1.296 177.117 176.000 -0.299 0.000 0.980 524 Q CA 1.635 57.297 55.803 -0.234 0.000 0.869 524 Q CB -0.360 28.369 28.738 -0.016 0.000 0.912 524 Q HN 0.374 nan 8.270 nan 0.000 0.436 525 N N -0.782 117.703 118.700 -0.359 0.000 2.149 525 N HA -0.151 4.589 4.740 0.001 0.000 0.188 525 N C 1.568 176.870 175.510 -0.346 0.000 1.019 525 N CA 1.462 54.330 53.050 -0.305 0.000 0.857 525 N CB -0.708 37.577 38.487 -0.336 0.000 0.997 525 N HN 0.359 nan 8.380 nan 0.000 0.426 526 C N 0.369 119.328 119.300 -0.570 0.000 2.413 526 C HA -0.092 4.369 4.460 0.001 0.000 0.276 526 C C 2.453 177.231 174.990 -0.353 0.000 1.236 526 C CA 0.264 58.944 59.018 -0.564 0.000 1.735 526 C CB -1.544 25.668 27.740 -0.880 0.000 2.031 526 C HN 0.291 nan 8.230 nan 0.000 0.474 527 F N 1.662 121.531 119.950 -0.135 0.000 2.134 527 F HA -0.092 4.435 4.527 0.001 0.000 0.299 527 F C 2.196 178.029 175.800 0.054 0.000 1.097 527 F CA 1.316 59.292 58.000 -0.039 0.000 1.264 527 F CB -1.341 37.603 39.000 -0.092 0.000 1.001 527 F HN 0.231 nan 8.300 nan 0.000 0.479 528 D N 0.332 120.815 120.400 0.139 0.000 2.097 528 D HA -0.152 4.488 4.640 0.001 0.000 0.195 528 D C 1.832 178.220 176.300 0.146 0.000 0.989 528 D CA 1.485 55.555 54.000 0.117 0.000 0.827 528 D CB -0.533 40.294 40.800 0.044 0.000 0.966 528 D HN 0.192 nan 8.370 nan 0.000 0.456 529 D N -0.099 120.369 120.400 0.113 0.000 2.104 529 D HA -0.159 4.482 4.640 0.001 0.000 0.194 529 D C 1.846 178.359 176.300 0.355 0.000 0.994 529 D CA 0.546 54.667 54.000 0.203 0.000 0.830 529 D CB -0.508 40.347 40.800 0.091 0.000 0.959 529 D HN 0.139 nan 8.370 nan 0.000 0.452 530 F N 1.387 121.411 119.950 0.122 0.000 2.146 530 F HA -0.129 4.398 4.527 0.001 0.000 0.298 530 F C 2.420 178.306 175.800 0.144 0.000 1.096 530 F CA 1.306 59.379 58.000 0.123 0.000 1.275 530 F CB -0.289 38.757 39.000 0.076 0.000 1.008 530 F HN -0.054 nan 8.300 nan 0.000 0.480 531 Q N -1.308 118.634 119.800 0.238 0.000 2.124 531 Q HA -0.217 4.123 4.340 0.001 0.000 0.202 531 Q C 2.408 178.419 176.000 0.019 0.000 0.977 531 Q CA 1.823 57.712 55.803 0.143 0.000 0.850 531 Q CB -0.560 28.283 28.738 0.175 0.000 0.901 531 Q HN 0.411 nan 8.270 nan 0.000 0.429 532 C N 0.050 119.393 119.300 0.072 0.000 2.432 532 C HA -0.027 4.433 4.460 0.001 0.000 0.280 532 C C 2.770 177.605 174.990 -0.259 0.000 1.353 532 C CA 0.537 59.581 59.018 0.044 0.000 1.766 532 C CB -1.084 26.810 27.740 0.257 0.000 1.924 532 C HN 0.609 nan 8.230 nan 0.000 0.509 533 A N 0.689 123.256 122.820 -0.423 0.000 1.898 533 A HA 0.089 4.409 4.320 0.001 0.000 0.216 533 A C 2.378 179.728 177.584 -0.390 0.000 1.181 533 A CA 1.943 53.515 52.037 -0.775 0.000 0.620 533 A CB -0.866 17.861 19.000 -0.455 0.000 0.819 533 A HN 0.536 nan 8.150 nan 0.000 0.442 534 A N -0.043 122.602 122.820 -0.291 0.000 1.877 534 A HA -0.188 4.132 4.320 0.001 0.000 0.216 534 A C 1.900 179.408 177.584 -0.127 0.000 1.186 534 A CA 1.674 53.607 52.037 -0.174 0.000 0.620 534 A CB -0.599 18.334 19.000 -0.112 0.000 0.822 534 A HN 0.632 nan 8.150 nan 0.000 0.443 535 E N -1.738 118.387 120.200 -0.125 0.000 2.110 535 E HA -0.227 4.124 4.350 0.001 0.000 0.193 535 E C 1.834 178.409 176.600 -0.041 0.000 0.988 535 E CA 1.483 57.834 56.400 -0.082 0.000 0.804 535 E CB -0.312 29.356 29.700 -0.053 0.000 0.745 535 E HN 0.819 nan 8.360 nan 0.000 0.458 536 Y N 1.427 121.618 120.300 -0.182 0.000 2.163 536 Y HA -0.184 4.366 4.550 0.001 0.000 0.288 536 Y C 1.958 177.840 175.900 -0.031 0.000 1.136 536 Y CA 1.356 59.380 58.100 -0.127 0.000 1.147 536 Y CB -0.193 38.102 38.460 -0.275 0.000 0.987 536 Y HN -0.074 nan 8.280 nan 0.000 0.509 537 L N -0.276 121.020 121.223 0.122 0.000 2.079 537 L HA -0.257 4.083 4.340 0.001 0.000 0.210 537 L C 2.354 179.284 176.870 0.100 0.000 1.081 537 L CA 1.600 56.530 54.840 0.150 0.000 0.752 537 L CB -0.580 41.530 42.059 0.085 0.000 0.896 537 L HN 0.323 nan 8.230 nan 0.000 0.433 538 I N -0.696 119.878 120.570 0.005 0.000 2.233 538 I HA -0.230 3.940 4.170 0.001 0.000 0.243 538 I C 2.742 178.823 176.117 -0.060 0.000 1.093 538 I CA 0.914 62.201 61.300 -0.022 0.000 1.380 538 I CB -0.366 37.601 38.000 -0.054 0.000 1.067 538 I HN 0.180 nan 8.210 nan 0.000 0.413 539 K N 1.155 121.495 120.400 -0.099 0.000 2.057 539 K HA -0.186 4.135 4.320 0.001 0.000 0.207 539 K C 1.687 178.190 176.600 -0.162 0.000 1.049 539 K CA 1.610 57.824 56.287 -0.122 0.000 0.931 539 K CB -0.105 32.321 32.500 -0.123 0.000 0.714 539 K HN 0.231 nan 8.250 nan 0.000 0.440 540 E N -0.514 119.539 120.200 -0.244 0.000 2.511 540 E HA -0.012 4.339 4.350 0.001 0.000 0.196 540 E C 0.922 177.381 176.600 -0.236 0.000 1.066 540 E CA 0.781 57.026 56.400 -0.258 0.000 0.871 540 E CB -0.057 29.421 29.700 -0.369 0.000 0.863 540 E HN 0.584 nan 8.360 nan 0.000 0.520 541 G N 0.704 109.415 108.800 -0.147 0.000 2.132 541 G HA2 -0.333 3.627 3.960 0.001 0.000 0.234 541 G HA3 -0.333 3.627 3.960 0.001 0.000 0.234 541 G C 0.622 175.446 174.900 -0.126 0.000 0.989 541 G CA 0.398 45.412 45.100 -0.144 0.000 0.676 541 G HN 0.317 nan 8.290 nan 0.000 0.522 542 Y N -0.044 120.257 120.300 0.001 0.000 2.337 542 Y HA 0.367 4.918 4.550 0.001 0.000 0.293 542 Y C 2.047 178.031 175.900 0.140 0.000 1.123 542 Y CA 1.984 60.127 58.100 0.072 0.000 1.201 542 Y CB 0.396 38.886 38.460 0.051 0.000 1.011 542 Y HN 0.417 nan 8.280 nan 0.000 0.545 543 T N -2.311 112.372 114.554 0.216 0.000 2.648 543 T HA 0.588 4.939 4.350 0.001 0.000 0.304 543 T C -1.283 173.454 174.700 0.062 0.000 1.312 543 T CA -0.676 61.514 62.100 0.150 0.000 1.023 543 T CB 1.112 70.093 68.868 0.187 0.000 1.612 543 T HN -0.143 nan 8.240 nan 0.000 0.487 544 S N 0.930 116.659 115.700 0.048 0.000 2.595 544 S HA 0.522 4.992 4.470 0.001 0.000 0.281 544 S C -2.128 172.479 174.600 0.012 0.000 1.117 544 S CA -1.008 57.197 58.200 0.009 0.000 0.873 544 S CB 1.980 65.176 63.200 -0.006 0.000 1.108 544 S HN 0.529 nan 8.310 nan 0.000 0.477 545 P HA -0.219 nan 4.420 nan 0.000 0.216 545 P C 1.151 178.457 177.300 0.010 0.000 1.157 545 P CA 1.599 64.670 63.100 -0.048 0.000 0.880 545 P CB 0.018 31.665 31.700 -0.088 0.000 0.791 546 K N -0.334 120.077 120.400 0.018 0.000 2.362 546 K HA -0.062 4.258 4.320 0.001 0.000 0.200 546 K C 1.542 178.187 176.600 0.075 0.000 1.046 546 K CA 1.226 57.538 56.287 0.043 0.000 0.952 546 K CB -0.307 32.211 32.500 0.029 0.000 0.753 546 K HN 0.091 nan 8.250 nan 0.000 0.466 547 R N 0.344 120.895 120.500 0.086 0.000 2.432 547 R HA 0.225 4.566 4.340 0.001 0.000 0.260 547 R C -0.465 175.945 176.300 0.184 0.000 0.935 547 R CA -0.442 55.737 56.100 0.132 0.000 1.080 547 R CB 0.225 30.596 30.300 0.119 0.000 1.155 547 R HN 0.079 nan 8.270 nan 0.000 0.531 548 L N 1.192 122.511 121.223 0.160 0.000 2.275 548 L HA 0.320 4.660 4.340 0.001 0.000 0.288 548 L C -0.686 176.303 176.870 0.200 0.000 1.046 548 L CA 0.390 55.343 54.840 0.188 0.000 0.805 548 L CB 1.725 43.876 42.059 0.153 0.000 1.193 548 L HN -0.125 nan 8.230 nan 0.000 0.426 549 T N 6.688 121.340 114.554 0.164 0.000 2.807 549 T HA 0.618 4.969 4.350 0.001 0.000 0.279 549 T C -0.268 174.359 174.700 -0.121 0.000 0.993 549 T CA -0.289 61.849 62.100 0.064 0.000 0.970 549 T CB 0.949 69.871 68.868 0.090 0.000 0.950 549 T HN 0.584 nan 8.240 nan 0.000 0.441 550 I N 1.244 121.705 120.570 -0.182 0.000 2.562 550 I HA 0.711 4.881 4.170 0.001 0.000 0.301 550 I C -0.471 175.461 176.117 -0.308 0.000 1.003 550 I CA -0.780 60.372 61.300 -0.247 0.000 1.127 550 I CB 1.957 39.816 38.000 -0.234 0.000 1.304 550 I HN 0.495 nan 8.210 nan 0.000 0.446 551 N N 3.048 121.552 118.700 -0.327 0.000 2.277 551 N HA 0.748 5.489 4.740 0.001 0.000 0.286 551 N C -1.284 174.118 175.510 -0.181 0.000 1.140 551 N CA -0.378 52.524 53.050 -0.247 0.000 0.799 551 N CB 2.823 41.097 38.487 -0.355 0.000 1.596 551 N HN 1.101 nan 8.380 nan 0.000 0.473 552 G N -0.088 108.623 108.800 -0.149 0.000 2.632 552 G HA2 0.590 4.551 3.960 0.001 0.000 0.292 552 G HA3 0.590 4.551 3.960 0.001 0.000 0.292 552 G C -1.553 173.304 174.900 -0.071 0.000 1.465 552 G CA -0.573 44.368 45.100 -0.264 0.000 0.824 552 G HN 0.596 nan 8.290 nan 0.000 0.509 553 G N -0.803 107.999 108.800 0.002 0.000 2.591 553 G HA2 0.692 4.652 3.960 0.001 0.000 0.306 553 G HA3 0.692 4.652 3.960 0.001 0.000 0.306 553 G C 0.247 175.161 174.900 0.023 0.000 1.334 553 G CA 0.974 46.080 45.100 0.010 0.000 0.981 553 G HN 1.925 nan 8.290 nan 0.000 0.491 554 S N 1.099 116.774 115.700 -0.042 0.000 4.141 554 S HA -0.374 4.097 4.470 0.001 0.000 0.622 554 S C 2.014 176.523 174.600 -0.152 0.000 1.894 554 S CA 1.949 60.135 58.200 -0.023 0.000 4.238 554 S CB -1.452 61.826 63.200 0.129 0.000 0.205 554 S HN 1.381 nan 8.310 nan 0.000 0.486 555 N N 1.358 119.921 118.700 -0.230 0.000 2.272 555 N HA 0.017 4.757 4.740 0.001 0.000 0.185 555 N C 1.556 176.807 175.510 -0.432 0.000 1.014 555 N CA 2.461 55.294 53.050 -0.361 0.000 0.870 555 N CB -0.917 37.236 38.487 -0.557 0.000 0.975 555 N HN 0.626 nan 8.380 nan 0.000 0.433 556 G N -1.196 107.380 108.800 -0.373 0.000 2.511 556 G HA2 -0.032 3.929 3.960 0.001 0.000 0.217 556 G HA3 -0.032 3.929 3.960 0.001 0.000 0.217 556 G C 1.393 176.135 174.900 -0.263 0.000 1.133 556 G CA 0.478 45.383 45.100 -0.325 0.000 0.792 556 G HN 0.424 nan 8.290 nan 0.000 0.539 557 G N 1.019 109.708 108.800 -0.184 0.000 2.403 557 G HA2 -0.071 3.889 3.960 0.001 0.000 0.216 557 G HA3 -0.071 3.889 3.960 0.001 0.000 0.216 557 G C 1.693 176.484 174.900 -0.182 0.000 1.154 557 G CA 0.947 45.956 45.100 -0.152 0.000 0.784 557 G HN 0.414 nan 8.290 nan 0.000 0.538 558 L N 0.356 121.457 121.223 -0.204 0.000 2.046 558 L HA 0.074 4.414 4.340 0.001 0.000 0.208 558 L C 2.470 179.249 176.870 -0.152 0.000 1.077 558 L CA 1.620 56.339 54.840 -0.200 0.000 0.747 558 L CB -0.637 41.314 42.059 -0.180 0.000 0.896 558 L HN 0.171 nan 8.230 nan 0.000 0.432 559 L N -0.243 120.893 121.223 -0.146 0.000 1.971 559 L HA -0.173 4.167 4.340 0.001 0.000 0.215 559 L C 2.584 179.348 176.870 -0.177 0.000 1.072 559 L CA 2.533 57.306 54.840 -0.111 0.000 0.758 559 L CB -0.952 40.867 42.059 -0.401 0.000 0.889 559 L HN 0.343 nan 8.230 nan 0.000 0.433 560 V N -2.453 117.315 119.914 -0.243 0.000 2.626 560 V HA -0.050 4.071 4.120 0.001 0.000 0.252 560 V C 2.451 178.447 176.094 -0.164 0.000 1.067 560 V CA 1.349 63.525 62.300 -0.207 0.000 1.081 560 V CB -1.794 29.907 31.823 -0.204 0.000 0.686 560 V HN 0.480 nan 8.190 nan 0.000 0.468 561 A N 0.770 123.510 122.820 -0.133 0.000 1.898 561 A HA -0.102 4.218 4.320 0.001 0.000 0.216 561 A C 2.340 179.863 177.584 -0.100 0.000 1.181 561 A CA 2.359 54.368 52.037 -0.048 0.000 0.620 561 A CB -1.201 17.683 19.000 -0.193 0.000 0.819 561 A HN 0.533 nan 8.150 nan 0.000 0.442 562 T N -0.852 113.545 114.554 -0.262 0.000 2.821 562 T HA -0.159 4.191 4.350 0.001 0.000 0.267 562 T C 1.867 176.412 174.700 -0.258 0.000 1.046 562 T CA 1.544 63.409 62.100 -0.392 0.000 1.139 562 T CB -0.594 67.674 68.868 -1.001 0.000 0.871 562 T HN 0.558 nan 8.240 nan 0.000 0.454 563 C N 1.618 120.815 119.300 -0.171 0.000 2.422 563 C HA 0.128 4.589 4.460 0.001 0.000 0.279 563 C C 3.165 178.190 174.990 0.058 0.000 1.305 563 C CA 0.223 59.241 59.018 0.001 0.000 1.757 563 C CB -1.405 26.356 27.740 0.036 0.000 1.962 563 C HN 0.649 nan 8.230 nan 0.000 0.499 564 A N 1.343 124.121 122.820 -0.070 0.000 1.902 564 A HA -0.171 4.149 4.320 0.001 0.000 0.217 564 A C 1.946 179.403 177.584 -0.212 0.000 1.181 564 A CA 1.878 53.871 52.037 -0.073 0.000 0.623 564 A CB -0.522 18.463 19.000 -0.024 0.000 0.818 564 A HN 0.630 nan 8.150 nan 0.000 0.443 565 N N -0.171 118.484 118.700 -0.075 0.000 2.142 565 N HA -0.123 4.618 4.740 0.001 0.000 0.186 565 N C 1.939 177.427 175.510 -0.037 0.000 1.023 565 N CA 1.551 54.590 53.050 -0.019 0.000 0.852 565 N CB -0.430 38.122 38.487 0.109 0.000 0.998 565 N HN 0.665 nan 8.380 nan 0.000 0.424 566 Q N -0.288 119.500 119.800 -0.021 0.000 2.123 566 Q HA 0.092 4.432 4.340 0.001 0.000 0.199 566 Q C 0.114 176.125 176.000 0.018 0.000 0.966 566 Q CA 0.865 56.673 55.803 0.008 0.000 0.845 566 Q CB 0.393 29.136 28.738 0.009 0.000 0.907 566 Q HN 0.063 nan 8.270 nan 0.000 0.439 567 R N 0.235 120.766 120.500 0.052 0.000 2.653 567 R HA 0.178 4.518 4.340 0.001 0.000 0.269 567 R C -2.210 174.081 176.300 -0.015 0.000 1.603 567 R CA -1.453 54.649 56.100 0.004 0.000 1.671 567 R CB 0.746 31.034 30.300 -0.019 0.000 1.300 567 R HN 0.129 nan 8.270 nan 0.000 0.668 568 P HA -0.168 nan 4.420 nan 0.000 0.222 568 P C 0.601 177.853 177.300 -0.080 0.000 1.147 568 P CA 1.170 64.191 63.100 -0.131 0.000 0.790 568 P CB 0.297 31.772 31.700 -0.375 0.000 0.780 569 D N -0.441 119.888 120.400 -0.118 0.000 2.312 569 D HA -0.108 4.532 4.640 0.001 0.000 0.211 569 D C 1.733 177.896 176.300 -0.229 0.000 0.964 569 D CA 0.397 54.322 54.000 -0.124 0.000 0.877 569 D CB -0.654 40.086 40.800 -0.099 0.000 0.924 569 D HN 0.156 nan 8.370 nan 0.000 0.515 570 L N -0.808 120.138 121.223 -0.461 0.000 2.529 570 L HA 0.259 4.599 4.340 0.001 0.000 0.223 570 L C -0.448 175.860 176.870 -0.937 0.000 1.113 570 L CA 0.356 54.721 54.840 -0.791 0.000 0.861 570 L CB -0.027 41.341 42.059 -1.151 0.000 1.012 570 L HN -0.181 nan 8.230 nan 0.000 0.461 571 F N -2.630 117.298 119.950 -0.035 0.000 2.588 571 F HA 0.588 5.116 4.527 0.001 0.000 0.314 571 F C 1.216 177.019 175.800 0.006 0.000 1.069 571 F CA -0.617 57.373 58.000 -0.017 0.000 0.931 571 F CB 1.177 40.165 39.000 -0.020 0.000 1.260 571 F HN -0.306 nan 8.300 nan 0.000 0.465 572 G N -0.659 108.269 108.800 0.213 0.000 2.608 572 G HA2 0.177 4.137 3.960 0.001 0.000 0.210 572 G HA3 0.177 4.137 3.960 0.001 0.000 0.210 572 G C -0.514 174.476 174.900 0.151 0.000 1.139 572 G CA 0.295 45.482 45.100 0.145 0.000 0.812 572 G HN 0.647 nan 8.290 nan 0.000 0.529 573 C N 0.121 119.525 119.300 0.173 0.000 2.880 573 C HA 0.721 5.182 4.460 0.001 0.000 0.320 573 C C -1.348 173.718 174.990 0.127 0.000 1.176 573 C CA -0.616 58.503 59.018 0.168 0.000 1.390 573 C CB 1.139 28.973 27.740 0.156 0.000 1.846 573 C HN 0.090 nan 8.230 nan 0.000 0.478 574 V N 6.482 126.480 119.914 0.141 0.000 2.525 574 V HA 0.519 4.639 4.120 0.001 0.000 0.299 574 V C -0.503 175.613 176.094 0.037 0.000 1.034 574 V CA -0.243 62.069 62.300 0.020 0.000 0.863 574 V CB 1.681 33.491 31.823 -0.021 0.000 0.999 574 V HN 0.739 nan 8.190 nan 0.000 0.423 575 I N 4.305 124.853 120.570 -0.037 0.000 2.390 575 I HA 0.662 4.833 4.170 0.001 0.000 0.283 575 I C 0.312 176.386 176.117 -0.072 0.000 1.016 575 I CA -0.458 60.803 61.300 -0.065 0.000 1.151 575 I CB 1.659 39.621 38.000 -0.063 0.000 1.293 575 I HN 0.676 nan 8.210 nan 0.000 0.458 576 A N 6.761 129.547 122.820 -0.056 0.000 2.258 576 A HA 0.588 4.909 4.320 0.001 0.000 0.316 576 A C -0.396 177.167 177.584 -0.035 0.000 1.279 576 A CA -0.469 51.541 52.037 -0.044 0.000 0.876 576 A CB 0.483 19.482 19.000 -0.002 0.000 1.170 576 A HN 0.708 nan 8.150 nan 0.000 0.520 577 Q N 1.420 121.196 119.800 -0.039 0.000 2.271 577 Q HA 0.438 4.779 4.340 0.001 0.000 0.258 577 Q C 0.517 176.488 176.000 -0.048 0.000 0.936 577 Q CA -0.444 55.337 55.803 -0.036 0.000 0.909 577 Q CB 2.151 30.871 28.738 -0.030 0.000 1.253 577 Q HN 1.473 nan 8.270 nan 0.000 0.440 578 V N -0.238 119.660 119.914 -0.025 0.000 5.176 578 V HA -0.243 3.878 4.120 0.001 0.000 0.252 578 V C 0.263 176.368 176.094 0.018 0.000 0.665 578 V CA 0.922 63.230 62.300 0.013 0.000 0.654 578 V CB -2.315 29.472 31.823 -0.060 0.000 0.440 578 V HN 0.837 nan 8.190 nan 0.000 0.806 579 G N -0.094 108.692 108.800 -0.022 0.000 2.420 579 G HA2 0.558 4.518 3.960 0.001 0.000 0.284 579 G HA3 0.558 4.518 3.960 0.001 0.000 0.284 579 G C -0.285 174.511 174.900 -0.173 0.000 1.177 579 G CA -0.283 44.758 45.100 -0.099 0.000 0.841 579 G HN 1.153 nan 8.290 nan 0.000 0.527 580 V N 3.761 123.495 119.914 -0.301 0.000 2.387 580 V HA 0.082 4.203 4.120 0.001 0.000 0.260 580 V C 0.667 176.558 176.094 -0.338 0.000 1.054 580 V CA -0.219 61.776 62.300 -0.509 0.000 0.967 580 V CB 1.048 32.592 31.823 -0.465 0.000 1.036 580 V HN 0.703 nan 8.190 nan 0.000 0.481 581 M N 1.235 120.735 119.600 -0.167 0.000 2.653 581 M HA 0.250 4.731 4.480 0.001 0.000 0.259 581 M C 0.721 177.020 176.300 -0.003 0.000 1.244 581 M CA 0.460 55.650 55.300 -0.184 0.000 1.163 581 M CB -0.244 32.190 32.600 -0.276 0.000 1.309 581 M HN 0.528 nan 8.290 nan 0.000 0.509 582 D N 1.769 122.400 120.400 0.385 0.000 2.468 582 D HA 0.180 4.821 4.640 0.001 0.000 0.218 582 D C 0.746 177.311 176.300 0.442 0.000 1.155 582 D CA -0.006 54.194 54.000 0.334 0.000 0.924 582 D CB 0.784 41.741 40.800 0.261 0.000 1.029 582 D HN -0.033 nan 8.370 nan 0.000 0.515 583 M N 2.871 122.638 119.600 0.278 0.000 2.630 583 M HA 0.008 4.489 4.480 0.001 0.000 0.254 583 M C 1.499 178.042 176.300 0.405 0.000 1.092 583 M CA 0.501 55.983 55.300 0.304 0.000 1.087 583 M CB -0.171 32.379 32.600 -0.083 0.000 1.453 583 M HN 0.452 nan 8.290 nan 0.000 0.509 584 L N -1.001 120.380 121.223 0.264 0.000 2.477 584 L HA -0.023 4.317 4.340 0.001 0.000 0.220 584 L C 1.560 178.598 176.870 0.279 0.000 1.106 584 L CA 0.577 55.505 54.840 0.147 0.000 0.851 584 L CB -0.072 41.879 42.059 -0.180 0.000 0.994 584 L HN 0.240 nan 8.230 nan 0.000 0.462 585 K N -0.465 120.095 120.400 0.265 0.000 2.438 585 K HA 0.112 4.432 4.320 0.001 0.000 0.206 585 K C 1.547 178.102 176.600 -0.075 0.000 1.081 585 K CA -0.068 56.233 56.287 0.023 0.000 1.053 585 K CB 0.458 33.032 32.500 0.123 0.000 0.908 585 K HN 0.093 nan 8.250 nan 0.000 0.556 586 F N 2.051 122.195 119.950 0.322 0.000 2.154 586 F HA -0.247 4.280 4.527 0.001 0.000 0.301 586 F C 2.151 178.020 175.800 0.116 0.000 1.087 586 F CA 1.411 59.673 58.000 0.438 0.000 1.274 586 F CB -0.931 38.406 39.000 0.562 0.000 1.009 586 F HN 0.124 nan 8.300 nan 0.000 0.485 587 H N 0.620 119.209 119.070 -0.803 0.000 2.521 587 H HA 0.061 4.618 4.556 0.001 0.000 0.286 587 H C 1.238 176.345 175.328 -0.369 0.000 1.034 587 H CA 1.206 56.919 56.048 -0.558 0.000 1.278 587 H CB -0.735 28.646 29.762 -0.635 0.000 1.386 587 H HN 0.421 nan 8.280 nan 0.000 0.567 588 K N 0.230 120.020 120.400 -1.016 0.000 2.296 588 K HA 0.025 4.346 4.320 0.001 0.000 0.200 588 K C -0.308 175.837 176.600 -0.758 0.000 1.048 588 K CA 0.462 56.175 56.287 -0.958 0.000 0.966 588 K CB 0.168 31.893 32.500 -1.292 0.000 0.754 588 K HN 0.229 nan 8.250 nan 0.000 0.466 589 Y N 0.866 121.091 120.300 -0.125 0.000 2.420 589 Y HA 0.069 4.620 4.550 0.001 0.000 0.334 589 Y C 1.545 177.396 175.900 -0.081 0.000 1.094 589 Y CA -1.014 57.049 58.100 -0.062 0.000 1.126 589 Y CB 0.928 39.381 38.460 -0.012 0.000 1.217 589 Y HN 0.174 nan 8.280 nan 0.000 0.462 590 T N -0.357 114.266 114.554 0.115 0.000 8.188 590 T HA -0.414 3.937 4.350 0.001 0.000 0.253 590 T C 0.938 175.592 174.700 -0.076 0.000 1.618 590 T CA 1.934 64.049 62.100 0.025 0.000 1.500 590 T CB -1.126 67.766 68.868 0.041 0.000 1.763 590 T HN 0.615 nan 8.240 nan 0.000 0.450 591 I N 2.622 123.081 120.570 -0.186 0.000 3.875 591 I HA 0.478 4.648 4.170 0.001 0.000 0.329 591 I C 2.218 177.749 176.117 -0.976 0.000 1.295 591 I CA 0.568 61.576 61.300 -0.487 0.000 1.129 591 I CB -0.633 37.142 38.000 -0.374 0.000 1.008 591 I HN 0.738 nan 8.210 nan 0.000 0.413 592 G N 0.371 108.596 108.800 -0.959 0.000 2.462 592 G HA2 -0.351 3.609 3.960 0.001 0.000 0.220 592 G HA3 -0.351 3.609 3.960 0.001 0.000 0.220 592 G C 1.432 175.899 174.900 -0.722 0.000 1.121 592 G CA 1.324 45.574 45.100 -1.416 0.000 0.758 592 G HN 0.707 nan 8.290 nan 0.000 0.559 593 H N -0.309 118.550 119.070 -0.352 0.000 2.489 593 H HA 0.304 4.861 4.556 0.001 0.000 0.293 593 H C 2.328 177.610 175.328 -0.078 0.000 1.066 593 H CA 1.113 57.082 56.048 -0.132 0.000 1.305 593 H CB -0.514 29.190 29.762 -0.097 0.000 1.386 593 H HN 0.271 nan 8.280 nan 0.000 0.551 594 A N 0.706 123.208 122.820 -0.529 0.000 2.066 594 A HA -0.050 4.270 4.320 0.001 0.000 0.218 594 A C 1.201 178.881 177.584 0.159 0.000 1.157 594 A CA 0.806 52.731 52.037 -0.187 0.000 0.670 594 A CB -0.737 18.064 19.000 -0.332 0.000 0.804 594 A HN 0.596 nan 8.150 nan 0.000 0.453 595 W N 0.833 122.271 121.300 0.230 0.000 3.180 595 W HA 0.048 4.708 4.660 0.001 0.000 0.254 595 W C 2.025 178.700 176.519 0.260 0.000 1.318 595 W CA 0.919 58.435 57.345 0.286 0.000 1.608 595 W CB -1.791 27.855 29.460 0.311 0.000 1.124 595 W HN 0.532 nan 8.180 nan 0.000 0.694 596 T N -2.202 112.678 114.554 0.543 0.000 2.977 596 T HA -0.189 4.161 4.350 0.001 0.000 0.271 596 T C 1.695 176.542 174.700 0.245 0.000 1.105 596 T CA 1.919 64.305 62.100 0.477 0.000 1.116 596 T CB -0.735 68.344 68.868 0.352 0.000 0.878 596 T HN 0.159 nan 8.240 nan 0.000 0.509 597 T N -1.308 113.331 114.554 0.141 0.000 2.995 597 T HA 0.011 4.361 4.350 0.001 0.000 0.269 597 T C 1.373 176.007 174.700 -0.110 0.000 1.091 597 T CA 1.158 63.276 62.100 0.031 0.000 1.128 597 T CB -0.278 68.602 68.868 0.020 0.000 0.891 597 T HN 0.337 nan 8.240 nan 0.000 0.492 598 D N -0.407 119.835 120.400 -0.263 0.000 2.323 598 D HA 0.177 4.817 4.640 0.001 0.000 0.218 598 D C 1.113 177.194 176.300 -0.365 0.000 0.973 598 D CA 0.440 54.088 54.000 -0.587 0.000 0.890 598 D CB 0.169 40.119 40.800 -1.417 0.000 1.011 598 D HN 0.416 nan 8.370 nan 0.000 0.499 599 Y N -0.149 120.142 120.300 -0.014 0.000 2.522 599 Y HA 0.433 4.984 4.550 0.001 0.000 0.277 599 Y C 1.479 177.535 175.900 0.259 0.000 1.104 599 Y CA 0.425 58.588 58.100 0.105 0.000 1.260 599 Y CB 0.125 38.620 38.460 0.059 0.000 1.151 599 Y HN -0.031 nan 8.280 nan 0.000 0.539 600 G N -0.479 108.578 108.800 0.429 0.000 2.631 600 G HA2 -0.115 3.845 3.960 0.001 0.000 0.504 600 G HA3 -0.115 3.845 3.960 0.001 0.000 0.504 600 G C -1.284 173.925 174.900 0.515 0.000 1.306 600 G CA -1.016 44.273 45.100 0.314 0.000 0.897 600 G HN 0.436 nan 8.290 nan 0.000 0.520 601 C N 0.068 119.661 119.300 0.487 0.000 2.609 601 C HA 0.756 5.217 4.460 0.001 0.000 0.313 601 C C 1.999 177.018 174.990 0.048 0.000 1.175 601 C CA 0.715 59.788 59.018 0.091 0.000 1.434 601 C CB 0.862 28.541 27.740 -0.101 0.000 2.005 601 C HN 2.051 nan 8.230 nan 0.000 0.471 602 S N 1.951 117.638 115.700 -0.021 0.000 2.469 602 S HA -0.138 4.333 4.470 0.001 0.000 0.238 602 S C 0.889 175.640 174.600 0.252 0.000 0.998 602 S CA 1.687 60.006 58.200 0.199 0.000 0.957 602 S CB -0.283 63.089 63.200 0.286 0.000 0.764 602 S HN 0.870 nan 8.310 nan 0.000 0.514 603 D N 1.810 122.229 120.400 0.032 0.000 2.264 603 D HA 0.035 4.676 4.640 0.001 0.000 0.208 603 D C 0.868 177.232 176.300 0.107 0.000 0.966 603 D CA 0.796 54.830 54.000 0.056 0.000 0.864 603 D CB -0.231 40.528 40.800 -0.068 0.000 0.933 603 D HN 0.501 nan 8.370 nan 0.000 0.499 604 S N 0.147 115.806 115.700 -0.069 0.000 2.499 604 S HA 0.133 4.603 4.470 0.001 0.000 0.279 604 S C 1.028 175.355 174.600 -0.456 0.000 1.219 604 S CA -0.745 57.261 58.200 -0.323 0.000 1.062 604 S CB 1.801 64.575 63.200 -0.710 0.000 0.978 604 S HN -0.045 nan 8.310 nan 0.000 0.489 605 K N 3.241 123.171 120.400 -0.783 0.000 2.032 605 K HA -0.189 4.132 4.320 0.001 0.000 0.209 605 K C 2.041 178.395 176.600 -0.410 0.000 1.048 605 K CA 1.717 57.457 56.287 -0.911 0.000 0.927 605 K CB -0.289 31.813 32.500 -0.664 0.000 0.712 605 K HN 0.864 nan 8.250 nan 0.000 0.441 606 Q N -0.087 119.469 119.800 -0.407 0.000 2.061 606 Q HA -0.215 4.125 4.340 0.001 0.000 0.204 606 Q C 1.862 177.367 176.000 -0.825 0.000 0.984 606 Q CA 1.813 57.352 55.803 -0.441 0.000 0.846 606 Q CB -0.135 28.411 28.738 -0.320 0.000 0.902 606 Q HN 0.618 nan 8.270 nan 0.000 0.421 607 H N -1.206 117.294 119.070 -0.951 0.000 2.357 607 H HA -0.139 4.418 4.556 0.001 0.000 0.301 607 H C 1.973 177.024 175.328 -0.461 0.000 1.082 607 H CA 0.878 56.319 56.048 -1.011 0.000 1.342 607 H CB -0.169 29.325 29.762 -0.447 0.000 1.389 607 H HN 0.322 nan 8.280 nan 0.000 0.511 608 F N 2.612 122.422 119.950 -0.233 0.000 2.120 608 F HA -0.219 4.308 4.527 0.001 0.000 0.300 608 F C 2.193 177.893 175.800 -0.167 0.000 1.095 608 F CA 1.257 59.168 58.000 -0.147 0.000 1.249 608 F CB -0.034 38.953 39.000 -0.021 0.000 0.995 608 F HN 0.017 nan 8.300 nan 0.000 0.480 609 E N -0.069 120.000 120.200 -0.218 0.000 2.160 609 E HA -0.224 4.126 4.350 0.001 0.000 0.195 609 E C 2.145 178.695 176.600 -0.084 0.000 0.991 609 E CA 1.430 57.723 56.400 -0.179 0.000 0.810 609 E CB -0.710 28.956 29.700 -0.057 0.000 0.742 609 E HN 0.570 nan 8.360 nan 0.000 0.466 610 W N 0.805 122.056 121.300 -0.080 0.000 2.444 610 W HA 0.051 4.711 4.660 0.001 0.000 0.308 610 W C 2.347 178.780 176.519 -0.143 0.000 1.183 610 W CA 0.090 57.425 57.345 -0.017 0.000 1.340 610 W CB -1.376 28.123 29.460 0.066 0.000 1.138 610 W HN 0.036 nan 8.180 nan 0.000 0.510 611 L N 0.068 121.260 121.223 -0.051 0.000 2.013 611 L HA -0.250 4.090 4.340 0.001 0.000 0.212 611 L C 2.424 178.891 176.870 -0.672 0.000 1.073 611 L CA 1.255 55.802 54.840 -0.490 0.000 0.753 611 L CB -1.183 40.704 42.059 -0.287 0.000 0.890 611 L HN -0.144 nan 8.230 nan 0.000 0.432 612 I N -0.105 120.023 120.570 -0.736 0.000 2.567 612 I HA -0.260 3.910 4.170 0.001 0.000 0.257 612 I C 2.272 178.169 176.117 -0.366 0.000 1.184 612 I CA 1.567 62.430 61.300 -0.729 0.000 1.451 612 I CB -0.342 36.953 38.000 -1.175 0.000 1.089 612 I HN 0.132 nan 8.210 nan 0.000 0.441 613 K N -0.801 119.459 120.400 -0.234 0.000 2.296 613 K HA -0.115 4.205 4.320 0.001 0.000 0.200 613 K C 1.301 177.925 176.600 0.041 0.000 1.048 613 K CA 1.589 57.856 56.287 -0.034 0.000 0.966 613 K CB -0.077 32.471 32.500 0.080 0.000 0.754 613 K HN 0.630 nan 8.250 nan 0.000 0.466 614 Y N -2.539 117.726 120.300 -0.058 0.000 2.432 614 Y HA 0.323 4.873 4.550 0.001 0.000 0.252 614 Y C 0.460 176.258 175.900 -0.170 0.000 1.097 614 Y CA -0.821 57.200 58.100 -0.131 0.000 1.250 614 Y CB -0.047 38.349 38.460 -0.106 0.000 1.245 614 Y HN -0.260 nan 8.280 nan 0.000 0.522 615 S N 3.968 119.449 115.700 -0.364 0.000 2.737 615 S HA 0.026 4.496 4.470 0.001 0.000 0.315 615 S C -1.417 173.116 174.600 -0.112 0.000 1.236 615 S CA -0.668 57.407 58.200 -0.209 0.000 1.093 615 S CB 0.488 63.665 63.200 -0.039 0.000 0.832 615 S HN 0.237 nan 8.310 nan 0.000 0.507 616 P HA -0.152 nan 4.420 nan 0.000 0.216 616 P C 1.574 178.748 177.300 -0.209 0.000 1.157 616 P CA 0.623 63.512 63.100 -0.351 0.000 0.880 616 P CB 0.045 31.236 31.700 -0.849 0.000 0.791 617 L N -1.246 119.802 121.223 -0.291 0.000 2.187 617 L HA -0.168 4.172 4.340 0.001 0.000 0.213 617 L C 1.320 177.988 176.870 -0.337 0.000 1.100 617 L CA 2.064 56.770 54.840 -0.224 0.000 0.765 617 L CB -1.210 40.602 42.059 -0.413 0.000 0.904 617 L HN 0.122 nan 8.230 nan 0.000 0.437 618 H N -1.878 117.206 119.070 0.024 0.000 2.520 618 H HA 0.326 4.882 4.556 0.001 0.000 0.284 618 H C 0.515 175.864 175.328 0.035 0.000 1.037 618 H CA 0.105 56.164 56.048 0.019 0.000 1.168 618 H CB 0.035 29.759 29.762 -0.063 0.000 1.497 618 H HN 0.276 nan 8.280 nan 0.000 0.547 619 N N 0.585 119.357 118.700 0.121 0.000 2.377 619 N HA 0.086 4.826 4.740 0.001 0.000 0.259 619 N C -0.788 174.830 175.510 0.180 0.000 1.332 619 N CA 0.115 53.241 53.050 0.126 0.000 0.877 619 N CB 1.858 40.393 38.487 0.079 0.000 1.299 619 N HN -0.006 nan 8.380 nan 0.000 0.501 620 V N 1.657 121.686 119.914 0.191 0.000 2.470 620 V HA 0.195 4.315 4.120 0.001 0.000 0.276 620 V C 0.388 176.558 176.094 0.126 0.000 1.040 620 V CA 0.256 62.669 62.300 0.189 0.000 1.008 620 V CB 0.817 32.696 31.823 0.093 0.000 0.990 620 V HN 0.099 nan 8.190 nan 0.000 0.477 621 K N 4.966 125.468 120.400 0.170 0.000 2.550 621 K HA 0.455 4.776 4.320 0.001 0.000 0.252 621 K C -1.085 175.608 176.600 0.155 0.000 0.943 621 K CA -0.859 55.503 56.287 0.125 0.000 0.806 621 K CB 1.704 34.288 32.500 0.139 0.000 1.289 621 K HN 0.532 nan 8.250 nan 0.000 0.435 622 L N 4.924 126.183 121.223 0.060 0.000 2.540 622 L HA 0.111 4.452 4.340 0.001 0.000 0.276 622 L C -1.974 174.976 176.870 0.134 0.000 1.212 622 L CA -1.446 53.436 54.840 0.070 0.000 0.893 622 L CB 0.141 42.208 42.059 0.013 0.000 1.138 622 L HN 0.481 nan 8.230 nan 0.000 0.491 623 P HA 0.028 nan 4.420 nan 0.000 0.268 623 P C 0.191 177.539 177.300 0.079 0.000 1.205 623 P CA -0.120 63.059 63.100 0.131 0.000 0.771 623 P CB 0.625 32.403 31.700 0.130 0.000 0.858 624 E N 1.795 122.031 120.200 0.060 0.000 2.077 624 E HA -0.096 4.255 4.350 0.001 0.000 0.193 624 E C 0.637 177.258 176.600 0.034 0.000 0.989 624 E CA 0.707 57.133 56.400 0.043 0.000 0.800 624 E CB -0.130 29.592 29.700 0.037 0.000 0.746 624 E HN 0.530 nan 8.360 nan 0.000 0.452 625 A N 1.834 124.673 122.820 0.032 0.000 2.440 625 A HA -0.000 4.320 4.320 0.001 0.000 0.251 625 A C 0.348 177.948 177.584 0.027 0.000 1.089 625 A CA -0.349 51.703 52.037 0.024 0.000 0.779 625 A CB 0.356 19.367 19.000 0.018 0.000 1.022 625 A HN 0.002 nan 8.150 nan 0.000 0.492 626 D N 1.216 121.628 120.400 0.021 0.000 2.264 626 D HA -0.138 4.503 4.640 0.001 0.000 0.208 626 D C 0.997 177.309 176.300 0.020 0.000 0.966 626 D CA 1.579 55.590 54.000 0.020 0.000 0.864 626 D CB 0.043 40.851 40.800 0.014 0.000 0.933 626 D HN 0.796 nan 8.370 nan 0.000 0.499 627 D N 0.078 120.488 120.400 0.018 0.000 2.340 627 D HA -0.043 4.597 4.640 0.001 0.000 0.220 627 D C 0.566 176.878 176.300 0.020 0.000 1.039 627 D CA -0.041 53.968 54.000 0.015 0.000 0.866 627 D CB 0.285 41.090 40.800 0.008 0.000 0.913 627 D HN 0.198 nan 8.370 nan 0.000 0.523 628 I N 1.319 121.906 120.570 0.029 0.000 2.465 628 I HA 0.240 4.411 4.170 0.001 0.000 0.291 628 I C -0.059 176.101 176.117 0.071 0.000 1.014 628 I CA -0.853 60.470 61.300 0.038 0.000 1.093 628 I CB 1.880 39.896 38.000 0.027 0.000 1.267 628 I HN -0.035 nan 8.210 nan 0.000 0.431 629 Q N 4.449 124.303 119.800 0.090 0.000 2.552 629 Q HA 0.505 4.845 4.340 0.001 0.000 0.289 629 Q C -1.510 174.619 176.000 0.215 0.000 1.097 629 Q CA -0.933 54.959 55.803 0.149 0.000 0.812 629 Q CB 1.654 30.459 28.738 0.112 0.000 1.460 629 Q HN 0.364 nan 8.270 nan 0.000 0.452 630 Y N 1.519 121.845 120.300 0.043 0.000 2.326 630 Y HA 0.263 4.814 4.550 0.001 0.000 0.333 630 Y C -1.917 174.030 175.900 0.077 0.000 1.240 630 Y CA -1.746 56.390 58.100 0.060 0.000 1.365 630 Y CB 0.464 38.947 38.460 0.038 0.000 1.289 630 Y HN 0.530 nan 8.280 nan 0.000 0.548 631 P HA 0.050 nan 4.420 nan 0.000 0.274 631 P C -0.711 176.706 177.300 0.195 0.000 1.256 631 P CA -0.349 62.851 63.100 0.167 0.000 0.795 631 P CB 0.684 32.490 31.700 0.176 0.000 1.038 632 S N 0.489 116.293 115.700 0.174 0.000 2.549 632 S HA 0.254 4.725 4.470 0.001 0.000 0.283 632 S C 0.431 175.228 174.600 0.328 0.000 1.320 632 S CA 0.130 58.458 58.200 0.213 0.000 1.058 632 S CB -0.489 62.750 63.200 0.065 0.000 0.882 632 S HN 0.321 nan 8.310 nan 0.000 0.498 633 M N 3.150 122.963 119.600 0.355 0.000 2.393 633 M HA 0.515 4.995 4.480 0.001 0.000 0.299 633 M C -1.416 174.890 176.300 0.010 0.000 1.103 633 M CA -0.749 54.678 55.300 0.212 0.000 0.910 633 M CB 1.962 34.621 32.600 0.098 0.000 1.659 633 M HN 0.436 nan 8.290 nan 0.000 0.445 634 L N 4.488 125.570 121.223 -0.234 0.000 2.404 634 L HA 0.635 4.975 4.340 0.001 0.000 0.272 634 L C -1.889 174.827 176.870 -0.256 0.000 0.980 634 L CA -0.237 54.277 54.840 -0.544 0.000 0.836 634 L CB 1.488 42.813 42.059 -1.222 0.000 1.238 634 L HN 0.670 nan 8.230 nan 0.000 0.408 635 L N 6.089 127.211 121.223 -0.167 0.000 2.282 635 L HA 0.548 4.889 4.340 0.001 0.000 0.288 635 L C -0.782 176.057 176.870 -0.052 0.000 1.033 635 L CA -0.606 54.198 54.840 -0.060 0.000 0.807 635 L CB 1.462 43.528 42.059 0.011 0.000 1.209 635 L HN 0.516 nan 8.230 nan 0.000 0.423 636 L N 2.958 124.164 121.223 -0.027 0.000 2.313 636 L HA 0.712 5.052 4.340 0.001 0.000 0.283 636 L C -0.013 176.875 176.870 0.030 0.000 1.013 636 L CA -0.103 54.744 54.840 0.012 0.000 0.816 636 L CB 2.010 44.065 42.059 -0.006 0.000 1.236 636 L HN 0.622 nan 8.230 nan 0.000 0.419 637 T N 1.575 116.158 114.554 0.048 0.000 2.671 637 T HA 0.879 5.229 4.350 0.001 0.000 0.300 637 T C -1.862 172.869 174.700 0.051 0.000 1.238 637 T CA -0.187 61.945 62.100 0.053 0.000 1.020 637 T CB 2.045 70.950 68.868 0.062 0.000 1.503 637 T HN 0.733 nan 8.240 nan 0.000 0.497 638 A N 0.779 123.639 122.820 0.067 0.000 2.572 638 A HA 0.613 4.934 4.320 0.001 0.000 0.295 638 A C 0.190 177.821 177.584 0.079 0.000 1.072 638 A CA -0.063 52.016 52.037 0.071 0.000 0.691 638 A CB 1.355 20.418 19.000 0.104 0.000 1.291 638 A HN 0.876 nan 8.150 nan 0.000 0.404 639 D N -0.354 120.089 120.400 0.073 0.000 2.350 639 D HA -0.097 4.543 4.640 0.001 0.000 0.216 639 D C 0.538 176.794 176.300 -0.073 0.000 0.968 639 D CA 1.680 55.683 54.000 0.005 0.000 0.894 639 D CB -0.282 40.502 40.800 -0.028 0.000 0.909 639 D HN 0.636 nan 8.370 nan 0.000 0.520 640 H N -0.830 118.279 119.070 0.064 0.000 2.528 640 H HA 0.203 4.759 4.556 0.001 0.000 0.282 640 H C -0.478 174.909 175.328 0.097 0.000 1.097 640 H CA -0.511 55.586 56.048 0.081 0.000 1.121 640 H CB 0.231 30.042 29.762 0.081 0.000 1.590 640 H HN -0.028 nan 8.280 nan 0.000 0.553 641 D N 1.670 122.177 120.400 0.179 0.000 2.455 641 D HA -0.050 4.590 4.640 0.001 0.000 0.234 641 D C 0.312 176.703 176.300 0.151 0.000 1.224 641 D CA -0.066 54.047 54.000 0.190 0.000 0.999 641 D CB 0.153 41.083 40.800 0.217 0.000 1.072 641 D HN 0.428 nan 8.370 nan 0.000 0.514 642 D N 1.872 122.349 120.400 0.128 0.000 2.340 642 D HA -0.068 4.573 4.640 0.001 0.000 0.220 642 D C 1.574 177.928 176.300 0.089 0.000 1.039 642 D CA -0.049 54.006 54.000 0.091 0.000 0.866 642 D CB 0.207 41.039 40.800 0.054 0.000 0.913 642 D HN 0.190 nan 8.370 nan 0.000 0.523 643 R N 0.539 121.080 120.500 0.069 0.000 2.052 643 R HA 0.148 4.489 4.340 0.001 0.000 0.224 643 R C 0.076 176.499 176.300 0.205 0.000 1.149 643 R CA 0.874 56.989 56.100 0.025 0.000 0.962 643 R CB -0.144 29.900 30.300 -0.426 0.000 0.856 643 R HN 0.031 nan 8.270 nan 0.000 0.433 644 V N 3.352 123.349 119.914 0.137 0.000 2.284 644 V HA 0.249 4.370 4.120 0.001 0.000 0.274 644 V C -0.541 175.742 176.094 0.316 0.000 1.023 644 V CA -1.020 61.473 62.300 0.323 0.000 0.808 644 V CB 1.069 32.998 31.823 0.177 0.000 1.035 644 V HN 0.263 nan 8.190 nan 0.000 0.445 645 V N 4.162 124.274 119.914 0.330 0.000 2.681 645 V HA 0.084 4.204 4.120 0.001 0.000 0.306 645 V C -1.139 175.044 176.094 0.149 0.000 1.077 645 V CA -0.481 61.915 62.300 0.161 0.000 1.224 645 V CB 0.126 31.936 31.823 -0.022 0.000 0.879 645 V HN 0.596 nan 8.190 nan 0.000 0.494 646 P HA -0.183 nan 4.420 nan 0.000 0.218 646 P C 1.625 178.918 177.300 -0.012 0.000 1.146 646 P CA 1.693 64.821 63.100 0.047 0.000 0.820 646 P CB -0.172 31.537 31.700 0.014 0.000 0.778 647 L N -3.326 117.818 121.223 -0.131 0.000 2.189 647 L HA -0.208 4.132 4.340 0.001 0.000 0.214 647 L C 2.251 179.005 176.870 -0.193 0.000 1.097 647 L CA 1.990 56.684 54.840 -0.243 0.000 0.764 647 L CB -2.071 39.742 42.059 -0.410 0.000 0.900 647 L HN 0.077 nan 8.230 nan 0.000 0.436 648 H N 0.311 119.352 119.070 -0.047 0.000 2.290 648 H HA -0.081 4.475 4.556 0.001 0.000 0.298 648 H C 2.397 177.738 175.328 0.022 0.000 1.087 648 H CA 1.945 57.995 56.048 0.004 0.000 1.291 648 H CB -0.162 29.628 29.762 0.048 0.000 1.369 648 H HN 0.495 nan 8.280 nan 0.000 0.492 649 S N 0.495 116.296 115.700 0.167 0.000 2.387 649 S HA -0.018 4.452 4.470 0.001 0.000 0.226 649 S C 2.504 177.164 174.600 0.099 0.000 1.026 649 S CA 0.296 58.590 58.200 0.157 0.000 0.972 649 S CB -0.068 63.203 63.200 0.120 0.000 0.814 649 S HN 0.221 nan 8.310 nan 0.000 0.477 650 L N 1.267 122.498 121.223 0.013 0.000 2.017 650 L HA -0.125 4.215 4.340 0.001 0.000 0.208 650 L C 2.442 179.166 176.870 -0.244 0.000 1.073 650 L CA 1.285 56.082 54.840 -0.071 0.000 0.745 650 L CB -0.565 41.344 42.059 -0.250 0.000 0.894 650 L HN 0.241 nan 8.230 nan 0.000 0.432 651 K N -0.585 119.675 120.400 -0.234 0.000 2.097 651 K HA -0.172 4.149 4.320 0.001 0.000 0.205 651 K C 2.146 178.702 176.600 -0.074 0.000 1.050 651 K CA 1.246 57.397 56.287 -0.227 0.000 0.938 651 K CB -0.259 32.154 32.500 -0.145 0.000 0.718 651 K HN 0.082 nan 8.250 nan 0.000 0.442 652 F N 1.885 121.751 119.950 -0.140 0.000 2.134 652 F HA -0.161 4.366 4.527 0.001 0.000 0.299 652 F C 2.061 177.793 175.800 -0.114 0.000 1.097 652 F CA 0.728 58.668 58.000 -0.101 0.000 1.264 652 F CB -0.360 38.608 39.000 -0.053 0.000 1.001 652 F HN -0.136 nan 8.300 nan 0.000 0.479 653 I N 0.432 120.908 120.570 -0.157 0.000 2.315 653 I HA -0.111 4.059 4.170 0.001 0.000 0.248 653 I C 2.414 178.366 176.117 -0.275 0.000 1.117 653 I CA 1.474 62.615 61.300 -0.265 0.000 1.404 653 I CB -1.019 36.907 38.000 -0.122 0.000 1.071 653 I HN 0.126 nan 8.210 nan 0.000 0.419 654 A N -0.824 121.831 122.820 -0.275 0.000 1.902 654 A HA -0.215 4.105 4.320 0.001 0.000 0.217 654 A C 2.343 179.628 177.584 -0.499 0.000 1.181 654 A CA 2.480 54.203 52.037 -0.524 0.000 0.623 654 A CB -1.339 16.920 19.000 -1.235 0.000 0.818 654 A HN 0.450 nan 8.150 nan 0.000 0.443 655 T N 0.495 114.850 114.554 -0.331 0.000 2.737 655 T HA -0.076 4.275 4.350 0.001 0.000 0.265 655 T C 1.846 176.478 174.700 -0.112 0.000 1.038 655 T CA 1.434 63.529 62.100 -0.009 0.000 1.144 655 T CB -0.410 68.508 68.868 0.084 0.000 0.866 655 T HN 0.353 nan 8.240 nan 0.000 0.434 656 L N 0.785 121.811 121.223 -0.327 0.000 2.012 656 L HA -0.190 4.151 4.340 0.001 0.000 0.210 656 L C 2.959 179.612 176.870 -0.362 0.000 1.073 656 L CA 1.549 56.137 54.840 -0.420 0.000 0.748 656 L CB -0.622 41.089 42.059 -0.581 0.000 0.891 656 L HN 0.317 nan 8.230 nan 0.000 0.431 657 Q N -1.464 118.100 119.800 -0.393 0.000 2.124 657 Q HA -0.250 4.090 4.340 0.001 0.000 0.202 657 Q C 2.025 177.909 176.000 -0.193 0.000 0.977 657 Q CA 1.850 57.357 55.803 -0.494 0.000 0.850 657 Q CB -0.218 28.120 28.738 -0.667 0.000 0.901 657 Q HN 0.476 nan 8.270 nan 0.000 0.429 658 Y N 0.888 121.089 120.300 -0.164 0.000 2.153 658 Y HA -0.172 4.378 4.550 0.001 0.000 0.289 658 Y C 1.942 177.816 175.900 -0.044 0.000 1.119 658 Y CA 1.103 59.185 58.100 -0.031 0.000 1.116 658 Y CB -0.021 38.498 38.460 0.098 0.000 1.004 658 Y HN -0.024 nan 8.280 nan 0.000 0.501 659 I N -0.741 119.789 120.570 -0.067 0.000 2.202 659 I HA -0.194 3.977 4.170 0.001 0.000 0.242 659 I C 2.164 178.143 176.117 -0.229 0.000 1.091 659 I CA 1.305 62.507 61.300 -0.165 0.000 1.368 659 I CB -1.295 36.679 38.000 -0.044 0.000 1.058 659 I HN 0.192 nan 8.210 nan 0.000 0.410 660 V N 0.454 120.202 119.914 -0.276 0.000 2.672 660 V HA 0.139 4.259 4.120 0.001 0.000 0.242 660 V C 2.574 178.555 176.094 -0.190 0.000 1.059 660 V CA 1.248 63.363 62.300 -0.307 0.000 1.081 660 V CB -0.905 30.559 31.823 -0.599 0.000 0.752 660 V HN 0.410 nan 8.190 nan 0.000 0.472 661 G N 0.257 108.944 108.800 -0.187 0.000 2.462 661 G HA2 -0.239 3.721 3.960 0.001 0.000 0.220 661 G HA3 -0.239 3.721 3.960 0.001 0.000 0.220 661 G C 1.702 176.638 174.900 0.060 0.000 1.121 661 G CA 0.599 45.677 45.100 -0.037 0.000 0.758 661 G HN 0.407 nan 8.290 nan 0.000 0.559 662 R N 0.664 121.137 120.500 -0.045 0.000 2.236 662 R HA 0.055 4.395 4.340 0.001 0.000 0.208 662 R C 1.398 177.668 176.300 -0.051 0.000 1.036 662 R CA 0.540 56.613 56.100 -0.046 0.000 1.001 662 R CB -0.077 30.129 30.300 -0.157 0.000 0.896 662 R HN 0.452 nan 8.270 nan 0.000 0.464 663 S N 0.301 115.964 115.700 -0.062 0.000 2.562 663 S HA 0.091 4.561 4.470 0.001 0.000 0.281 663 S C 0.881 175.470 174.600 -0.019 0.000 1.333 663 S CA -0.528 57.645 58.200 -0.044 0.000 1.052 663 S CB 1.643 64.816 63.200 -0.045 0.000 0.884 663 S HN 0.165 nan 8.310 nan 0.000 0.506 664 R N 1.961 122.451 120.500 -0.017 0.000 2.096 664 R HA -0.114 4.226 4.340 0.001 0.000 0.235 664 R C 2.206 178.503 176.300 -0.004 0.000 1.127 664 R CA 1.830 57.923 56.100 -0.012 0.000 0.968 664 R CB -0.317 29.977 30.300 -0.011 0.000 0.861 664 R HN 0.918 nan 8.270 nan 0.000 0.440 665 K N 0.325 120.727 120.400 0.002 0.000 2.439 665 K HA -0.107 4.213 4.320 0.001 0.000 0.197 665 K C 0.685 177.299 176.600 0.023 0.000 1.041 665 K CA 0.628 56.923 56.287 0.013 0.000 0.970 665 K CB 0.110 32.622 32.500 0.020 0.000 0.773 665 K HN -0.110 nan 8.250 nan 0.000 0.479 666 Q N 1.907 121.720 119.800 0.022 0.000 2.369 666 Q HA 0.119 4.459 4.340 0.001 0.000 0.247 666 Q C -0.319 175.701 176.000 0.032 0.000 1.083 666 Q CA 0.051 55.877 55.803 0.039 0.000 0.905 666 Q CB 0.631 29.388 28.738 0.033 0.000 1.305 666 Q HN 0.244 nan 8.270 nan 0.000 0.465 667 N N 2.664 121.385 118.700 0.036 0.000 2.294 667 N HA 0.060 4.801 4.740 0.001 0.000 0.186 667 N C -0.624 174.910 175.510 0.040 0.000 1.107 667 N CA 0.006 53.065 53.050 0.016 0.000 0.884 667 N CB 0.478 38.972 38.487 0.011 0.000 1.030 667 N HN 0.428 nan 8.380 nan 0.000 0.482 668 N N 3.007 121.752 118.700 0.076 0.000 2.520 668 N HA 0.174 4.914 4.740 0.001 0.000 0.273 668 N C -2.358 173.235 175.510 0.138 0.000 1.155 668 N CA -0.934 52.177 53.050 0.102 0.000 0.967 668 N CB 0.733 39.290 38.487 0.118 0.000 1.092 668 N HN 0.160 nan 8.380 nan 0.000 0.457 669 P HA 0.164 nan 4.420 nan 0.000 0.275 669 P C -0.738 176.711 177.300 0.249 0.000 1.228 669 P CA -0.088 63.147 63.100 0.226 0.000 0.786 669 P CB 0.929 32.638 31.700 0.016 0.000 0.927 670 L N 3.461 124.842 121.223 0.262 0.000 2.401 670 L HA 0.458 4.799 4.340 0.001 0.000 0.263 670 L C 0.008 176.871 176.870 -0.011 0.000 1.004 670 L CA -0.342 54.528 54.840 0.050 0.000 0.881 670 L CB 0.776 42.755 42.059 -0.132 0.000 1.219 670 L HN 0.231 nan 8.230 nan 0.000 0.441 671 L N 3.353 124.535 121.223 -0.069 0.000 2.301 671 L HA 0.686 5.027 4.340 0.001 0.000 0.264 671 L C -0.741 176.020 176.870 -0.181 0.000 1.016 671 L CA -0.759 53.993 54.840 -0.146 0.000 0.821 671 L CB 3.069 45.000 42.059 -0.214 0.000 1.346 671 L HN 0.428 nan 8.230 nan 0.000 0.429 672 I N -0.063 120.418 120.570 -0.149 0.000 2.769 672 I HA 0.415 4.586 4.170 0.001 0.000 0.298 672 I C -1.488 174.602 176.117 -0.045 0.000 1.128 672 I CA -0.338 60.904 61.300 -0.097 0.000 1.031 672 I CB 2.212 40.171 38.000 -0.068 0.000 1.235 672 I HN 0.650 nan 8.210 nan 0.000 0.423 673 H N 6.910 125.914 119.070 -0.111 0.000 2.658 673 H HA 0.490 5.047 4.556 0.001 0.000 0.337 673 H C -1.949 173.354 175.328 -0.040 0.000 1.009 673 H CA -0.522 55.477 56.048 -0.082 0.000 1.231 673 H CB 2.040 31.750 29.762 -0.087 0.000 1.508 673 H HN 0.360 nan 8.280 nan 0.000 0.517 674 V N 5.739 125.376 119.914 -0.462 0.000 2.334 674 V HA 0.063 4.183 4.120 0.001 0.000 0.281 674 V C 0.321 176.167 176.094 -0.413 0.000 1.016 674 V CA -0.698 61.433 62.300 -0.282 0.000 0.832 674 V CB 1.115 32.857 31.823 -0.136 0.000 0.999 674 V HN 0.730 nan 8.190 nan 0.000 0.439 675 D N 3.420 123.696 120.400 -0.207 0.000 2.354 675 D HA 0.483 5.123 4.640 0.001 0.000 0.247 675 D C 0.388 176.693 176.300 0.008 0.000 1.138 675 D CA 0.092 54.053 54.000 -0.065 0.000 0.958 675 D CB 1.580 42.444 40.800 0.108 0.000 1.144 675 D HN 0.672 nan 8.370 nan 0.000 0.458 676 T N -1.292 113.290 114.554 0.046 0.000 2.945 676 T HA 0.398 4.749 4.350 0.001 0.000 0.286 676 T C 0.008 174.767 174.700 0.099 0.000 1.025 676 T CA -0.925 61.230 62.100 0.091 0.000 1.039 676 T CB 1.135 70.044 68.868 0.068 0.000 1.068 676 T HN 0.496 nan 8.240 nan 0.000 0.497 677 K N -0.437 120.037 120.400 0.125 0.000 3.035 677 K HA -0.101 4.219 4.320 0.001 0.000 0.262 677 K C -0.011 176.565 176.600 -0.041 0.000 1.024 677 K CA 0.647 56.897 56.287 -0.063 0.000 0.748 677 K CB -2.090 30.381 32.500 -0.049 0.000 1.247 677 K HN 1.014 nan 8.250 nan 0.000 0.482 678 A N -0.726 122.132 122.820 0.064 0.000 2.556 678 A HA 0.848 5.169 4.320 0.001 0.000 0.294 678 A C 0.299 177.970 177.584 0.144 0.000 1.091 678 A CA -0.075 52.007 52.037 0.076 0.000 0.704 678 A CB 2.026 21.073 19.000 0.078 0.000 1.300 678 A HN 0.238 nan 8.150 nan 0.000 0.406 679 G N -1.165 107.713 108.800 0.131 0.000 3.302 679 G HA2 0.400 4.360 3.960 0.001 0.000 0.170 679 G HA3 0.400 4.360 3.960 0.001 0.000 0.170 679 G C 0.553 175.561 174.900 0.179 0.000 1.119 679 G CA 0.433 45.639 45.100 0.177 0.000 0.826 679 G HN 0.835 nan 8.290 nan 0.000 0.646 680 H N -0.570 118.549 119.070 0.082 0.000 2.421 680 H HA 0.139 4.696 4.556 0.001 0.000 0.298 680 H C 1.939 177.298 175.328 0.051 0.000 1.087 680 H CA 2.745 58.832 56.048 0.066 0.000 1.330 680 H CB 0.282 30.084 29.762 0.067 0.000 1.388 680 H HN 0.773 nan 8.280 nan 0.000 0.526 681 G N -2.081 106.766 108.800 0.079 0.000 3.611 681 G HA2 -0.053 3.908 3.960 0.001 0.000 0.217 681 G HA3 -0.053 3.908 3.960 0.001 0.000 0.217 681 G C 0.246 175.172 174.900 0.042 0.000 1.023 681 G CA -0.097 45.011 45.100 0.013 0.000 0.887 681 G HN 0.584 nan 8.290 nan 0.000 0.420 682 A N 0.710 123.574 122.820 0.073 0.000 2.520 682 A HA 0.563 4.884 4.320 0.001 0.000 0.245 682 A C 1.922 179.539 177.584 0.054 0.000 1.072 682 A CA 1.769 53.843 52.037 0.061 0.000 0.761 682 A CB -0.271 18.774 19.000 0.076 0.000 1.004 682 A HN 2.387 nan 8.150 nan 0.000 0.499 683 G N 1.204 110.028 108.800 0.041 0.000 2.184 683 G HA2 -0.299 3.661 3.960 0.001 0.000 0.264 683 G HA3 -0.299 3.661 3.960 0.001 0.000 0.264 683 G C 0.419 175.340 174.900 0.035 0.000 0.975 683 G CA 0.784 45.907 45.100 0.038 0.000 0.642 683 G HN 1.121 nan 8.290 nan 0.000 0.536 684 K N 2.029 122.451 120.400 0.036 0.000 2.484 684 K HA 0.291 4.611 4.320 0.001 0.000 0.280 684 K C -1.490 175.130 176.600 0.033 0.000 1.013 684 K CA -0.838 55.468 56.287 0.032 0.000 1.029 684 K CB 0.624 33.142 32.500 0.029 0.000 0.902 684 K HN 0.191 nan 8.250 nan 0.000 0.481 685 P HA -0.016 nan 4.420 nan 0.000 0.272 685 P C 0.140 177.465 177.300 0.043 0.000 1.223 685 P CA -0.200 62.920 63.100 0.034 0.000 0.784 685 P CB 0.875 32.590 31.700 0.025 0.000 0.923 686 T N 1.902 116.495 114.554 0.064 0.000 2.685 686 T HA -0.233 4.118 4.350 0.001 0.000 0.268 686 T C 1.883 176.619 174.700 0.061 0.000 1.034 686 T CA 2.368 64.529 62.100 0.100 0.000 1.149 686 T CB -0.738 68.224 68.868 0.157 0.000 0.860 686 T HN 0.561 nan 8.240 nan 0.000 0.449 687 A N 1.623 124.471 122.820 0.048 0.000 1.883 687 A HA -0.184 4.137 4.320 0.001 0.000 0.217 687 A C 2.294 179.894 177.584 0.028 0.000 1.186 687 A CA 1.815 53.874 52.037 0.037 0.000 0.624 687 A CB -0.469 18.549 19.000 0.031 0.000 0.822 687 A HN 0.481 nan 8.150 nan 0.000 0.444 688 K N -0.626 119.790 120.400 0.027 0.000 2.097 688 K HA -0.023 4.297 4.320 0.001 0.000 0.205 688 K C 1.882 178.488 176.600 0.010 0.000 1.050 688 K CA 1.208 57.511 56.287 0.025 0.000 0.938 688 K CB -0.327 32.192 32.500 0.032 0.000 0.718 688 K HN 0.300 nan 8.250 nan 0.000 0.442 689 V N 1.978 121.890 119.914 -0.003 0.000 2.332 689 V HA -0.265 3.855 4.120 0.001 0.000 0.248 689 V C 2.147 178.209 176.094 -0.055 0.000 1.055 689 V CA 1.683 63.959 62.300 -0.040 0.000 1.038 689 V CB -0.400 31.377 31.823 -0.077 0.000 0.651 689 V HN 0.287 nan 8.190 nan 0.000 0.450 690 I N -0.536 120.006 120.570 -0.046 0.000 2.252 690 I HA -0.152 4.018 4.170 0.001 0.000 0.245 690 I C 2.625 178.764 176.117 0.037 0.000 1.102 690 I CA 1.141 62.433 61.300 -0.012 0.000 1.385 690 I CB -0.439 37.568 38.000 0.011 0.000 1.064 690 I HN 0.294 nan 8.210 nan 0.000 0.414 691 E N 0.723 120.934 120.200 0.020 0.000 2.077 691 E HA -0.268 4.082 4.350 0.001 0.000 0.193 691 E C 1.930 178.520 176.600 -0.017 0.000 0.989 691 E CA 1.205 57.610 56.400 0.009 0.000 0.800 691 E CB -0.258 29.444 29.700 0.004 0.000 0.746 691 E HN 0.550 nan 8.360 nan 0.000 0.452 692 E N 0.685 120.876 120.200 -0.016 0.000 2.031 692 E HA -0.158 4.192 4.350 0.001 0.000 0.193 692 E C 2.201 178.783 176.600 -0.031 0.000 0.994 692 E CA 1.939 58.318 56.400 -0.036 0.000 0.800 692 E CB 0.095 29.784 29.700 -0.017 0.000 0.752 692 E HN 0.155 nan 8.360 nan 0.000 0.447 693 V N -1.064 118.865 119.914 0.026 0.000 2.490 693 V HA -0.165 3.956 4.120 0.001 0.000 0.250 693 V C 2.188 178.285 176.094 0.007 0.000 1.061 693 V CA 1.889 64.247 62.300 0.097 0.000 1.064 693 V CB -0.502 31.471 31.823 0.251 0.000 0.670 693 V HN 0.108 nan 8.190 nan 0.000 0.461 694 S N 0.604 116.321 115.700 0.029 0.000 2.368 694 S HA -0.168 4.302 4.470 0.001 0.000 0.224 694 S C 1.717 176.266 174.600 -0.085 0.000 1.029 694 S CA 1.642 59.826 58.200 -0.028 0.000 0.988 694 S CB -0.516 62.754 63.200 0.116 0.000 0.838 694 S HN 0.690 nan 8.310 nan 0.000 0.462 695 D N 1.515 121.871 120.400 -0.073 0.000 2.084 695 D HA -0.052 4.588 4.640 0.001 0.000 0.194 695 D C 1.952 178.216 176.300 -0.060 0.000 0.990 695 D CA 1.073 55.026 54.000 -0.079 0.000 0.826 695 D CB -0.336 40.365 40.800 -0.166 0.000 0.971 695 D HN 0.350 nan 8.370 nan 0.000 0.453 696 M N -0.421 119.093 119.600 -0.144 0.000 2.073 696 M HA -0.178 4.302 4.480 0.001 0.000 0.258 696 M C 2.122 178.254 176.300 -0.280 0.000 1.070 696 M CA 1.494 56.650 55.300 -0.241 0.000 1.103 696 M CB -0.433 31.919 32.600 -0.413 0.000 1.321 696 M HN -0.034 nan 8.290 nan 0.000 0.405 697 F N -0.102 119.736 119.950 -0.186 0.000 2.407 697 F HA 0.016 4.543 4.527 0.001 0.000 0.299 697 F C 2.526 178.314 175.800 -0.019 0.000 1.097 697 F CA 0.939 58.838 58.000 -0.168 0.000 1.422 697 F CB -0.815 37.877 39.000 -0.514 0.000 1.067 697 F HN 0.108 nan 8.300 nan 0.000 0.539 698 A N -0.333 122.538 122.820 0.085 0.000 1.929 698 A HA -0.163 4.158 4.320 0.001 0.000 0.216 698 A C 2.045 179.736 177.584 0.179 0.000 1.176 698 A CA 1.005 53.112 52.037 0.118 0.000 0.628 698 A CB -1.194 17.847 19.000 0.068 0.000 0.816 698 A HN 0.353 nan 8.150 nan 0.000 0.444 699 F N 0.845 120.834 119.950 0.064 0.000 2.102 699 F HA -0.160 4.368 4.527 0.001 0.000 0.298 699 F C 1.963 177.860 175.800 0.162 0.000 1.105 699 F CA 1.669 59.757 58.000 0.147 0.000 1.239 699 F CB -0.271 38.785 39.000 0.092 0.000 0.991 699 F HN 0.181 nan 8.300 nan 0.000 0.474 700 I N 0.085 120.767 120.570 0.185 0.000 2.179 700 I HA -0.337 3.834 4.170 0.001 0.000 0.242 700 I C 2.705 178.908 176.117 0.143 0.000 1.088 700 I CA 1.296 62.685 61.300 0.149 0.000 1.357 700 I CB -1.040 37.116 38.000 0.260 0.000 1.051 700 I HN 0.223 nan 8.210 nan 0.000 0.409 701 A N 0.717 123.657 122.820 0.200 0.000 1.883 701 A HA -0.275 4.045 4.320 0.001 0.000 0.217 701 A C 2.450 180.084 177.584 0.085 0.000 1.186 701 A CA 2.097 54.245 52.037 0.185 0.000 0.624 701 A CB -0.694 18.442 19.000 0.226 0.000 0.822 701 A HN 0.374 nan 8.150 nan 0.000 0.444 702 R N -0.907 119.603 120.500 0.018 0.000 2.066 702 R HA -0.120 4.221 4.340 0.001 0.000 0.232 702 R C 2.194 178.470 176.300 -0.040 0.000 1.131 702 R CA 1.816 57.884 56.100 -0.054 0.000 0.955 702 R CB -0.647 29.541 30.300 -0.186 0.000 0.851 702 R HN 0.557 nan 8.270 nan 0.000 0.432 703 C N 0.486 119.732 119.300 -0.090 0.000 2.425 703 C HA -0.023 4.438 4.460 0.001 0.000 0.277 703 C C 2.179 177.165 174.990 -0.006 0.000 1.280 703 C CA 0.525 59.493 59.018 -0.083 0.000 1.744 703 C CB -0.659 26.907 27.740 -0.288 0.000 1.989 703 C HN 0.502 nan 8.230 nan 0.000 0.491 704 L N 0.338 121.577 121.223 0.026 0.000 2.607 704 L HA 0.178 4.518 4.340 0.001 0.000 0.228 704 L C 0.525 177.434 176.870 0.066 0.000 1.123 704 L CA 0.109 54.988 54.840 0.065 0.000 0.890 704 L CB -0.648 41.479 42.059 0.114 0.000 1.103 704 L HN 0.302 nan 8.230 nan 0.000 0.468 705 N N 1.881 120.614 118.700 0.055 0.000 2.696 705 N HA -0.204 4.537 4.740 0.001 0.000 0.256 705 N C -0.566 174.990 175.510 0.075 0.000 1.031 705 N CA 0.493 53.574 53.050 0.053 0.000 0.730 705 N CB -1.134 37.376 38.487 0.037 0.000 0.894 705 N HN 0.336 nan 8.380 nan 0.000 0.544 706 I N 0.585 121.219 120.570 0.108 0.000 2.331 706 I HA 0.177 4.348 4.170 0.001 0.000 0.292 706 I C 0.479 176.684 176.117 0.147 0.000 0.998 706 I CA -0.744 60.632 61.300 0.127 0.000 1.267 706 I CB 0.863 38.966 38.000 0.171 0.000 1.386 706 I HN 0.067 nan 8.210 nan 0.000 0.476 707 D N 5.749 126.224 120.400 0.125 0.000 2.345 707 D HA 0.030 4.671 4.640 0.001 0.000 0.247 707 D C -0.489 175.941 176.300 0.216 0.000 1.108 707 D CA -0.158 53.935 54.000 0.155 0.000 0.894 707 D CB 1.261 42.124 40.800 0.106 0.000 1.203 707 D HN 0.425 nan 8.370 nan 0.000 0.430 708 W N 3.582 124.922 121.300 0.067 0.000 2.238 708 W HA 0.264 4.924 4.660 0.001 0.000 0.321 708 W C -0.880 175.687 176.519 0.081 0.000 1.293 708 W CA -0.414 56.982 57.345 0.085 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