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 1h2z_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 NGGANGGLLV 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 0.000 176.241 176.300 -0.099 0.000 1.140 1 M CA 0.000 55.259 55.300 -0.068 0.000 0.988 1 M CB 0.000 32.555 32.600 -0.075 0.000 1.302 2 L N 1.610 122.734 121.223 -0.166 0.000 2.472 2 L HA 0.299 4.639 4.340 0.001 0.000 0.260 2 L C 1.128 177.859 176.870 -0.231 0.000 1.209 2 L CA 0.371 55.047 54.840 -0.274 0.000 0.817 2 L CB 0.328 42.086 42.059 -0.502 0.000 1.106 2 L HN 0.868 nan 8.230 nan 0.000 0.479 3 S N -0.341 115.221 115.700 -0.230 0.000 2.501 3 S HA 0.113 4.583 4.470 0.001 0.000 0.220 3 S C 0.030 174.658 174.600 0.047 0.000 0.997 3 S CA -0.248 57.934 58.200 -0.030 0.000 0.919 3 S CB -0.212 63.065 63.200 0.127 0.000 0.778 3 S HN 0.486 nan 8.310 nan 0.000 0.523 4 F N -0.288 119.627 119.950 -0.059 0.000 2.664 4 F HA 0.745 5.272 4.527 0.001 0.000 0.317 4 F C -0.853 174.826 175.800 -0.202 0.000 1.108 4 F CA -1.424 56.517 58.000 -0.098 0.000 0.957 4 F CB 1.341 40.294 39.000 -0.078 0.000 1.365 4 F HN -0.024 nan 8.300 nan 0.000 0.475 5 Q N 1.383 121.228 119.800 0.076 0.000 2.337 5 Q HA 0.405 4.746 4.340 0.001 0.000 0.266 5 Q C -1.817 174.218 176.000 0.058 0.000 1.023 5 Q CA -0.872 54.907 55.803 -0.040 0.000 0.829 5 Q CB 1.556 30.300 28.738 0.011 0.000 1.306 5 Q HN 0.741 nan 8.270 nan 0.000 0.449 6 Y N 3.037 123.432 120.300 0.159 0.000 2.411 6 Y HA 0.208 4.758 4.550 0.001 0.000 0.333 6 Y C -1.757 174.185 175.900 0.071 0.000 1.186 6 Y CA -1.553 56.618 58.100 0.119 0.000 1.381 6 Y CB -0.046 38.465 38.460 0.087 0.000 1.273 6 Y HN 0.578 nan 8.280 nan 0.000 0.546 7 P HA -0.011 nan 4.420 nan 0.000 0.268 7 P C -0.904 176.490 177.300 0.156 0.000 1.208 7 P CA -0.085 63.082 63.100 0.111 0.000 0.777 7 P CB 0.567 32.260 31.700 -0.013 0.000 0.875 8 D N 0.893 121.386 120.400 0.155 0.000 2.348 8 D HA 0.184 4.824 4.640 0.001 0.000 0.253 8 D C -0.464 175.995 176.300 0.264 0.000 1.161 8 D CA 0.380 54.496 54.000 0.192 0.000 0.876 8 D CB 0.526 41.420 40.800 0.158 0.000 1.160 8 D HN -0.058 nan 8.370 nan 0.000 0.459 9 V N 3.634 123.745 119.914 0.328 0.000 2.488 9 V HA 0.056 4.177 4.120 0.001 0.000 0.293 9 V C -0.437 175.980 176.094 0.538 0.000 1.027 9 V CA -1.084 61.521 62.300 0.508 0.000 0.862 9 V CB 1.155 33.268 31.823 0.483 0.000 1.008 9 V HN 0.421 nan 8.190 nan 0.000 0.428 10 Y N 5.412 125.956 120.300 0.408 0.000 2.712 10 Y HA 0.242 4.792 4.550 0.001 0.000 0.333 10 Y C 0.737 176.861 175.900 0.373 0.000 1.225 10 Y CA 0.281 58.517 58.100 0.227 0.000 1.499 10 Y CB 0.449 38.852 38.460 -0.095 0.000 1.288 10 Y HN 0.554 nan 8.280 nan 0.000 0.575 11 R N 4.688 124.786 120.500 -0.671 0.000 2.288 11 R HA 0.121 4.461 4.340 0.001 0.000 0.326 11 R C -1.215 174.575 176.300 -0.851 0.000 0.959 11 R CA -0.829 54.872 56.100 -0.664 0.000 0.834 11 R CB 0.654 30.561 30.300 -0.655 0.000 1.157 11 R HN 0.604 nan 8.270 nan 0.000 0.470 12 D N 3.105 123.276 120.400 -0.381 0.000 2.435 12 D HA -0.001 4.640 4.640 0.001 0.000 0.230 12 D C 0.466 176.676 176.300 -0.150 0.000 1.215 12 D CA 0.000 53.925 54.000 -0.126 0.000 0.947 12 D CB 0.770 41.681 40.800 0.185 0.000 1.048 12 D HN 0.392 nan 8.370 nan 0.000 0.512 13 E N 1.496 121.586 120.200 -0.184 0.000 2.516 13 E HA -0.084 4.267 4.350 0.001 0.000 0.199 13 E C 1.483 178.049 176.600 -0.056 0.000 1.069 13 E CA 0.532 56.856 56.400 -0.128 0.000 0.876 13 E CB -0.072 29.555 29.700 -0.121 0.000 0.843 13 E HN 0.600 nan 8.360 nan 0.000 0.530 14 T N -2.361 112.178 114.554 -0.024 0.000 3.081 14 T HA 0.269 4.619 4.350 0.001 0.000 0.250 14 T C 1.161 175.863 174.700 0.004 0.000 1.100 14 T CA 0.179 62.278 62.100 -0.002 0.000 1.038 14 T CB 0.179 69.056 68.868 0.015 0.000 0.962 14 T HN 0.058 nan 8.240 nan 0.000 0.516 15 A N 2.002 124.825 122.820 0.005 0.000 2.906 15 A HA 0.588 4.909 4.320 0.001 0.000 0.289 15 A C -0.007 177.589 177.584 0.021 0.000 1.675 15 A CA -0.459 51.589 52.037 0.020 0.000 1.372 15 A CB -1.111 17.908 19.000 0.032 0.000 1.091 15 A HN 0.677 nan 8.150 nan 0.000 0.579 16 I N 1.136 121.716 120.570 0.017 0.000 2.465 16 I HA 0.383 4.554 4.170 0.001 0.000 0.291 16 I C -0.008 176.116 176.117 0.010 0.000 1.014 16 I CA -0.356 60.959 61.300 0.025 0.000 1.093 16 I CB 1.976 39.980 38.000 0.007 0.000 1.267 16 I HN 0.650 nan 8.210 nan 0.000 0.431 17 Q N 4.232 124.053 119.800 0.035 0.000 2.375 17 Q HA 0.339 4.680 4.340 0.001 0.000 0.271 17 Q C -1.616 174.340 176.000 -0.072 0.000 1.074 17 Q CA -0.791 54.977 55.803 -0.059 0.000 0.808 17 Q CB 2.713 31.396 28.738 -0.092 0.000 1.327 17 Q HN 0.664 nan 8.270 nan 0.000 0.441 18 D N 1.953 122.227 120.400 -0.210 0.000 2.317 18 D HA 0.209 4.850 4.640 0.001 0.000 0.234 18 D C -1.613 174.424 176.300 -0.438 0.000 1.112 18 D CA -0.121 53.758 54.000 -0.202 0.000 0.840 18 D CB 0.489 41.184 40.800 -0.175 0.000 1.078 18 D HN 0.361 nan 8.370 nan 0.000 0.486 19 Y N 4.180 124.237 120.300 -0.406 0.000 2.593 19 Y HA 0.226 4.777 4.550 0.001 0.000 0.331 19 Y C 0.117 175.552 175.900 -0.775 0.000 0.986 19 Y CA -0.655 56.950 58.100 -0.824 0.000 1.262 19 Y CB 0.282 37.995 38.460 -1.246 0.000 1.098 19 Y HN 0.555 nan 8.280 nan 0.000 0.506 20 H N 1.742 120.657 119.070 -0.258 0.000 2.741 20 H HA -0.233 4.323 4.556 0.001 0.000 0.305 20 H C 1.422 176.690 175.328 -0.099 0.000 1.169 20 H CA 1.071 57.015 56.048 -0.174 0.000 1.144 20 H CB -1.459 28.195 29.762 -0.179 0.000 1.397 20 H HN 1.055 nan 8.280 nan 0.000 0.409 21 G N -0.688 108.087 108.800 -0.042 0.000 2.259 21 G HA2 -0.293 3.667 3.960 0.001 0.000 0.217 21 G HA3 -0.293 3.667 3.960 0.001 0.000 0.217 21 G C 0.029 174.952 174.900 0.038 0.000 1.001 21 G CA 0.372 45.475 45.100 0.005 0.000 0.627 21 G HN 0.833 nan 8.290 nan 0.000 0.501 22 H N 2.241 121.283 119.070 -0.047 0.000 2.652 22 H HA 0.592 5.148 4.556 0.001 0.000 0.298 22 H C 0.164 175.511 175.328 0.033 0.000 1.076 22 H CA -0.547 55.517 56.048 0.027 0.000 1.360 22 H CB 0.489 30.328 29.762 0.129 0.000 1.421 22 H HN -0.064 nan 8.280 nan 0.000 0.464 23 K N 4.867 125.218 120.400 -0.082 0.000 2.339 23 K HA 0.185 4.506 4.320 0.001 0.000 0.286 23 K C -0.857 175.818 176.600 0.124 0.000 1.050 23 K CA -0.404 55.890 56.287 0.011 0.000 0.956 23 K CB 1.425 33.895 32.500 -0.050 0.000 0.990 23 K HN 0.309 nan 8.250 nan 0.000 0.475 24 V N 3.839 123.908 119.914 0.259 0.000 2.487 24 V HA 0.185 4.305 4.120 0.001 0.000 0.298 24 V C -0.197 176.023 176.094 0.209 0.000 1.028 24 V CA -0.925 61.555 62.300 0.301 0.000 0.860 24 V CB 1.675 33.722 31.823 0.373 0.000 0.991 24 V HN 0.802 nan 8.190 nan 0.000 0.427 25 C N 3.353 122.750 119.300 0.162 0.000 2.369 25 C HA 0.514 4.974 4.460 0.001 0.000 0.358 25 C C 0.399 175.449 174.990 0.100 0.000 1.274 25 C CA -0.425 58.648 59.018 0.093 0.000 1.935 25 C CB 0.485 28.250 27.740 0.041 0.000 2.431 25 C HN 0.900 nan 8.230 nan 0.000 0.545 26 D N 2.879 123.312 120.400 0.055 0.000 2.502 26 D HA 0.271 4.912 4.640 0.001 0.000 0.301 26 D C -1.136 175.110 176.300 -0.090 0.000 1.202 26 D CA -1.372 52.645 54.000 0.028 0.000 0.878 26 D CB 0.801 41.659 40.800 0.097 0.000 1.062 26 D HN 0.306 nan 8.370 nan 0.000 0.499 27 P HA -0.147 nan 4.420 nan 0.000 0.221 27 P C 0.203 177.176 177.300 -0.547 0.000 1.145 27 P CA 0.847 63.660 63.100 -0.478 0.000 0.795 27 P CB 0.072 31.306 31.700 -0.776 0.000 0.775 28 Y N -1.138 119.039 120.300 -0.205 0.000 2.720 28 Y HA 0.526 5.077 4.550 0.001 0.000 0.277 28 Y C 2.201 177.741 175.900 -0.601 0.000 1.144 28 Y CA -0.478 57.263 58.100 -0.597 0.000 1.221 28 Y CB -0.816 37.276 38.460 -0.614 0.000 1.163 28 Y HN -0.071 nan 8.280 nan 0.000 0.537 29 A N 1.160 123.886 122.820 -0.157 0.000 1.978 29 A HA -0.177 4.144 4.320 0.001 0.000 0.220 29 A C 1.894 179.458 177.584 -0.034 0.000 1.170 29 A CA 1.585 53.588 52.037 -0.055 0.000 0.636 29 A CB -0.984 18.045 19.000 0.049 0.000 0.810 29 A HN 0.827 nan 8.150 nan 0.000 0.448 30 W N -0.441 120.866 121.300 0.010 0.000 2.468 30 W HA -0.051 4.609 4.660 0.001 0.000 0.262 30 W C 0.946 177.436 176.519 -0.048 0.000 1.241 30 W CA 0.587 57.931 57.345 -0.000 0.000 1.232 30 W CB -1.029 28.452 29.460 0.034 0.000 1.124 30 W HN 0.241 nan 8.180 nan 0.000 0.597 31 L N 1.212 122.135 121.223 -0.501 0.000 2.551 31 L HA -0.081 4.260 4.340 0.001 0.000 0.228 31 L C 2.214 178.916 176.870 -0.281 0.000 1.153 31 L CA 1.031 55.554 54.840 -0.529 0.000 0.851 31 L CB -0.493 41.010 42.059 -0.926 0.000 0.959 31 L HN -0.008 nan 8.230 nan 0.000 0.451 32 E N -0.582 119.500 120.200 -0.196 0.000 2.338 32 E HA -0.150 4.200 4.350 0.001 0.000 0.197 32 E C 0.414 176.943 176.600 -0.119 0.000 1.007 32 E CA 0.342 56.623 56.400 -0.197 0.000 0.849 32 E CB 0.055 29.682 29.700 -0.122 0.000 0.774 32 E HN 0.237 nan 8.360 nan 0.000 0.506 33 D N 0.599 120.981 120.400 -0.030 0.000 2.396 33 D HA 0.036 4.677 4.640 0.001 0.000 0.225 33 D C -1.635 174.667 176.300 0.002 0.000 1.121 33 D CA -2.580 51.425 54.000 0.007 0.000 0.853 33 D CB 1.208 42.044 40.800 0.061 0.000 1.043 33 D HN -0.116 nan 8.370 nan 0.000 0.500 34 P HA -0.007 nan 4.420 nan 0.000 0.229 34 P C 0.187 177.490 177.300 0.006 0.000 1.160 34 P CA 0.484 63.571 63.100 -0.020 0.000 0.777 34 P CB 0.665 32.337 31.700 -0.048 0.000 0.814 35 D N -0.188 120.221 120.400 0.014 0.000 2.350 35 D HA 0.002 4.643 4.640 0.001 0.000 0.213 35 D C 1.039 177.357 176.300 0.031 0.000 1.031 35 D CA 0.424 54.434 54.000 0.018 0.000 0.861 35 D CB 0.124 40.931 40.800 0.013 0.000 0.926 35 D HN 0.266 nan 8.370 nan 0.000 0.520 36 S N 0.561 116.290 115.700 0.050 0.000 2.603 36 S HA 0.105 4.575 4.470 0.001 0.000 0.268 36 S C 1.258 175.894 174.600 0.061 0.000 1.317 36 S CA -0.518 57.714 58.200 0.054 0.000 1.012 36 S CB 2.094 65.340 63.200 0.076 0.000 0.926 36 S HN -0.171 nan 8.310 nan 0.000 0.539 37 E N 1.641 121.863 120.200 0.036 0.000 2.110 37 E HA -0.154 4.196 4.350 0.001 0.000 0.193 37 E C 2.037 178.674 176.600 0.062 0.000 0.988 37 E CA 1.396 57.817 56.400 0.035 0.000 0.804 37 E CB -0.505 29.198 29.700 0.005 0.000 0.745 37 E HN 0.789 nan 8.360 nan 0.000 0.458 38 Q N -0.116 119.714 119.800 0.050 0.000 2.050 38 Q HA -0.088 4.253 4.340 0.001 0.000 0.202 38 Q C 2.246 178.445 176.000 0.332 0.000 0.980 38 Q CA 2.059 57.905 55.803 0.072 0.000 0.840 38 Q CB -0.552 28.096 28.738 -0.151 0.000 0.898 38 Q HN 0.192 nan 8.270 nan 0.000 0.424 39 T N 0.670 115.423 114.554 0.332 0.000 2.777 39 T HA -0.086 4.264 4.350 0.001 0.000 0.266 39 T C 1.529 176.381 174.700 0.254 0.000 1.040 39 T CA 1.140 63.426 62.100 0.310 0.000 1.141 39 T CB -0.102 68.864 68.868 0.163 0.000 0.868 39 T HN 0.202 nan 8.240 nan 0.000 0.444 40 K N 1.272 121.771 120.400 0.166 0.000 2.032 40 K HA -0.024 4.296 4.320 0.001 0.000 0.209 40 K C 2.685 179.368 176.600 0.138 0.000 1.048 40 K CA 1.300 57.660 56.287 0.121 0.000 0.927 40 K CB -0.333 32.212 32.500 0.075 0.000 0.712 40 K HN 0.283 nan 8.250 nan 0.000 0.441 41 A N 1.119 124.031 122.820 0.153 0.000 1.933 41 A HA -0.188 4.132 4.320 0.001 0.000 0.218 41 A C 1.997 179.687 177.584 0.176 0.000 1.175 41 A CA 1.227 53.345 52.037 0.136 0.000 0.628 41 A CB -0.700 18.372 19.000 0.121 0.000 0.814 41 A HN 0.374 nan 8.150 nan 0.000 0.444 42 F N 0.719 120.747 119.950 0.129 0.000 2.069 42 F HA -0.181 4.346 4.527 0.001 0.000 0.298 42 F C 2.244 178.070 175.800 0.045 0.000 1.113 42 F CA 2.161 60.235 58.000 0.123 0.000 1.214 42 F CB -0.359 38.742 39.000 0.168 0.000 0.978 42 F HN 0.033 nan 8.300 nan 0.000 0.474 43 V N 0.669 120.723 119.914 0.233 0.000 2.287 43 V HA -0.281 3.839 4.120 0.001 0.000 0.248 43 V C 2.467 178.529 176.094 -0.053 0.000 1.053 43 V CA 2.181 64.523 62.300 0.070 0.000 1.027 43 V CB -0.713 31.173 31.823 0.104 0.000 0.646 43 V HN 0.312 nan 8.190 nan 0.000 0.447 44 E N 0.338 120.533 120.200 -0.008 0.000 2.085 44 E HA -0.210 4.140 4.350 0.001 0.000 0.194 44 E C 2.347 178.912 176.600 -0.058 0.000 0.994 44 E CA 1.647 58.034 56.400 -0.022 0.000 0.801 44 E CB -0.616 29.090 29.700 0.009 0.000 0.743 44 E HN 0.588 nan 8.360 nan 0.000 0.453 45 A N 1.348 124.116 122.820 -0.086 0.000 1.898 45 A HA -0.189 4.132 4.320 0.001 0.000 0.216 45 A C 2.132 179.618 177.584 -0.163 0.000 1.181 45 A CA 1.202 53.176 52.037 -0.105 0.000 0.620 45 A CB -0.275 18.668 19.000 -0.094 0.000 0.819 45 A HN 0.111 nan 8.150 nan 0.000 0.442 46 Q N 0.074 119.701 119.800 -0.287 0.000 2.046 46 Q HA -0.132 4.208 4.340 0.001 0.000 0.200 46 Q C 1.731 177.639 176.000 -0.154 0.000 0.975 46 Q CA 1.418 57.054 55.803 -0.277 0.000 0.836 46 Q CB -0.582 27.906 28.738 -0.417 0.000 0.896 46 Q HN 0.627 nan 8.270 nan 0.000 0.428 47 N N 1.124 119.753 118.700 -0.119 0.000 2.223 47 N HA -0.143 4.598 4.740 0.001 0.000 0.185 47 N C 1.568 177.065 175.510 -0.022 0.000 1.016 47 N CA 0.892 53.916 53.050 -0.044 0.000 0.863 47 N CB -0.170 38.284 38.487 -0.055 0.000 0.983 47 N HN 0.252 nan 8.380 nan 0.000 0.429 48 K N 0.888 121.261 120.400 -0.046 0.000 2.147 48 K HA -0.069 4.251 4.320 0.001 0.000 0.205 48 K C 1.878 178.449 176.600 -0.048 0.000 1.049 48 K CA 0.969 57.237 56.287 -0.031 0.000 0.936 48 K CB 0.037 32.522 32.500 -0.025 0.000 0.722 48 K HN 0.355 nan 8.250 nan 0.000 0.446 49 I N -3.776 116.733 120.570 -0.102 0.000 3.081 49 I HA 0.018 4.188 4.170 0.001 0.000 0.274 49 I C 1.630 177.596 176.117 -0.252 0.000 1.178 49 I CA 0.373 61.548 61.300 -0.207 0.000 1.460 49 I CB -0.275 37.537 38.000 -0.314 0.000 1.137 49 I HN -0.155 nan 8.210 nan 0.000 0.443 50 T N 1.836 116.292 114.554 -0.164 0.000 2.737 50 T HA -0.076 4.274 4.350 0.001 0.000 0.265 50 T C 2.121 176.837 174.700 0.027 0.000 1.038 50 T CA 1.824 63.871 62.100 -0.087 0.000 1.144 50 T CB -0.321 68.529 68.868 -0.031 0.000 0.866 50 T HN 0.191 nan 8.240 nan 0.000 0.434 51 V N 2.384 122.320 119.914 0.037 0.000 2.255 51 V HA -0.138 3.983 4.120 0.001 0.000 0.247 51 V C -0.444 175.673 176.094 0.038 0.000 1.051 51 V CA 1.902 64.224 62.300 0.037 0.000 1.018 51 V CB -1.603 30.251 31.823 0.051 0.000 0.641 51 V HN 0.372 nan 8.190 nan 0.000 0.445 52 P HA -0.183 nan 4.420 nan 0.000 0.216 52 P C 1.704 179.040 177.300 0.060 0.000 1.150 52 P CA 1.449 64.570 63.100 0.036 0.000 0.837 52 P CB -0.129 31.591 31.700 0.034 0.000 0.786 53 F N 0.166 120.083 119.950 -0.055 0.000 2.102 53 F HA -0.164 4.363 4.527 0.001 0.000 0.298 53 F C 1.908 177.732 175.800 0.040 0.000 1.105 53 F CA 1.527 59.522 58.000 -0.008 0.000 1.239 53 F CB -0.715 38.244 39.000 -0.068 0.000 0.991 53 F HN -0.255 nan 8.300 nan 0.000 0.474 54 L N -0.251 121.095 121.223 0.205 0.000 2.156 54 L HA -0.141 4.200 4.340 0.001 0.000 0.208 54 L C 1.949 178.817 176.870 -0.004 0.000 1.095 54 L CA 1.388 56.301 54.840 0.122 0.000 0.770 54 L CB -0.640 41.482 42.059 0.104 0.000 0.914 54 L HN 0.170 nan 8.230 nan 0.000 0.439 55 E N -0.596 119.595 120.200 -0.016 0.000 2.478 55 E HA -0.136 4.215 4.350 0.001 0.000 0.194 55 E C 1.835 178.404 176.600 -0.052 0.000 1.045 55 E CA -0.056 56.325 56.400 -0.031 0.000 0.868 55 E CB 0.209 29.898 29.700 -0.018 0.000 0.885 55 E HN 0.451 nan 8.360 nan 0.000 0.505 56 Q N 0.544 120.294 119.800 -0.083 0.000 2.002 56 Q HA -0.132 4.208 4.340 0.001 0.000 0.204 56 Q C 0.387 176.336 176.000 -0.086 0.000 0.988 56 Q CA 1.089 56.839 55.803 -0.089 0.000 0.843 56 Q CB 0.083 28.742 28.738 -0.132 0.000 0.908 56 Q HN 0.239 nan 8.270 nan 0.000 0.420 57 C N 2.963 122.196 119.300 -0.111 0.000 2.629 57 C HA 0.135 4.596 4.460 0.001 0.000 0.410 57 C C -0.999 173.954 174.990 -0.061 0.000 1.339 57 C CA -1.237 57.734 59.018 -0.078 0.000 1.810 57 C CB 0.536 28.228 27.740 -0.080 0.000 2.549 57 C HN 0.535 nan 8.230 nan 0.000 0.589 58 P HA -0.138 nan 4.420 nan 0.000 0.226 58 P C 1.421 178.650 177.300 -0.118 0.000 1.146 58 P CA 1.067 64.121 63.100 -0.077 0.000 0.773 58 P CB -0.040 31.619 31.700 -0.068 0.000 0.772 59 I N 0.281 120.800 120.570 -0.085 0.000 2.454 59 I HA -0.197 3.973 4.170 0.001 0.000 0.254 59 I C 2.429 178.477 176.117 -0.115 0.000 1.156 59 I CA 1.187 62.423 61.300 -0.107 0.000 1.433 59 I CB -0.377 37.661 38.000 0.064 0.000 1.082 59 I HN -0.053 nan 8.210 nan 0.000 0.432 60 R N 0.515 120.984 120.500 -0.051 0.000 2.073 60 R HA -0.139 4.201 4.340 0.001 0.000 0.234 60 R C 2.318 178.591 176.300 -0.045 0.000 1.134 60 R CA 1.698 57.791 56.100 -0.011 0.000 0.952 60 R CB -0.598 29.695 30.300 -0.012 0.000 0.850 60 R HN 0.423 nan 8.270 nan 0.000 0.433 61 G N 1.044 109.785 108.800 -0.098 0.000 2.422 61 G HA2 -0.235 3.726 3.960 0.001 0.000 0.218 61 G HA3 -0.235 3.726 3.960 0.001 0.000 0.218 61 G C 1.485 176.258 174.900 -0.212 0.000 1.146 61 G CA 0.610 45.641 45.100 -0.116 0.000 0.769 61 G HN 0.233 nan 8.290 nan 0.000 0.547 62 L N -1.178 119.812 121.223 -0.390 0.000 2.017 62 L HA -0.081 4.259 4.340 0.001 0.000 0.208 62 L C 2.577 178.971 176.870 -0.793 0.000 1.073 62 L CA 1.312 55.707 54.840 -0.740 0.000 0.745 62 L CB -0.437 40.826 42.059 -1.327 0.000 0.894 62 L HN 0.292 nan 8.230 nan 0.000 0.432 63 Y N 0.913 120.790 120.300 -0.704 0.000 2.163 63 Y HA -0.295 4.255 4.550 0.001 0.000 0.288 63 Y C 2.722 178.558 175.900 -0.107 0.000 1.136 63 Y CA 1.855 59.789 58.100 -0.276 0.000 1.147 63 Y CB -0.124 38.340 38.460 0.007 0.000 0.987 63 Y HN 0.011 nan 8.280 nan 0.000 0.509 64 K N 0.350 120.819 120.400 0.116 0.000 2.063 64 K HA -0.274 4.047 4.320 0.001 0.000 0.208 64 K C 2.226 178.814 176.600 -0.019 0.000 1.048 64 K CA 1.927 58.268 56.287 0.090 0.000 0.928 64 K CB -0.305 32.227 32.500 0.054 0.000 0.713 64 K HN 0.518 nan 8.250 nan 0.000 0.442 65 E N 0.121 120.272 120.200 -0.082 0.000 2.051 65 E HA -0.244 4.106 4.350 0.001 0.000 0.192 65 E C 2.145 178.700 176.600 -0.074 0.000 0.991 65 E CA 1.038 57.392 56.400 -0.075 0.000 0.799 65 E CB 0.001 29.639 29.700 -0.103 0.000 0.748 65 E HN 0.094 nan 8.360 nan 0.000 0.449 66 R N 0.235 120.655 120.500 -0.133 0.000 2.096 66 R HA -0.120 4.221 4.340 0.001 0.000 0.235 66 R C 2.181 178.416 176.300 -0.108 0.000 1.127 66 R CA 1.626 57.657 56.100 -0.115 0.000 0.968 66 R CB -0.440 29.781 30.300 -0.132 0.000 0.861 66 R HN 0.263 nan 8.270 nan 0.000 0.440 67 M N -0.588 118.908 119.600 -0.173 0.000 2.132 67 M HA -0.060 4.420 4.480 0.001 0.000 0.263 67 M C 1.644 177.974 176.300 0.049 0.000 1.065 67 M CA 1.948 57.190 55.300 -0.096 0.000 1.122 67 M CB -0.468 32.087 32.600 -0.075 0.000 1.365 67 M HN 0.103 nan 8.290 nan 0.000 0.411 68 T N 0.447 115.025 114.554 0.040 0.000 2.833 68 T HA -0.121 4.229 4.350 0.001 0.000 0.269 68 T C 1.600 176.357 174.700 0.095 0.000 1.054 68 T CA 1.729 63.877 62.100 0.079 0.000 1.135 68 T CB -0.244 68.651 68.868 0.044 0.000 0.869 68 T HN 0.536 nan 8.240 nan 0.000 0.466 69 E N 0.733 120.975 120.200 0.068 0.000 2.016 69 E HA 0.035 4.385 4.350 0.001 0.000 0.190 69 E C 2.238 178.916 176.600 0.129 0.000 0.985 69 E CA 0.788 57.235 56.400 0.079 0.000 0.802 69 E CB -0.202 29.529 29.700 0.053 0.000 0.762 69 E HN 0.367 nan 8.360 nan 0.000 0.448 70 L N -0.008 121.299 121.223 0.140 0.000 2.141 70 L HA -0.153 4.187 4.340 0.001 0.000 0.209 70 L C 2.376 179.469 176.870 0.372 0.000 1.094 70 L CA 0.756 55.714 54.840 0.197 0.000 0.763 70 L CB -0.258 41.883 42.059 0.137 0.000 0.908 70 L HN 0.199 nan 8.230 nan 0.000 0.437 71 Y N 0.416 120.839 120.300 0.206 0.000 2.561 71 Y HA -0.085 4.465 4.550 0.001 0.000 0.291 71 Y C 1.054 177.043 175.900 0.148 0.000 1.141 71 Y CA 0.161 58.420 58.100 0.266 0.000 1.303 71 Y CB -0.187 38.338 38.460 0.108 0.000 1.015 71 Y HN 0.075 nan 8.280 nan 0.000 0.547 72 D N 1.119 121.629 120.400 0.184 0.000 2.551 72 D HA 0.055 4.696 4.640 0.001 0.000 0.223 72 D C -1.297 175.071 176.300 0.114 0.000 1.144 72 D CA 0.130 54.155 54.000 0.041 0.000 1.025 72 D CB -1.165 39.676 40.800 0.070 0.000 1.085 72 D HN 0.331 nan 8.370 nan 0.000 0.506 73 Y N -0.651 119.607 120.300 -0.069 0.000 2.524 73 Y HA 0.683 5.233 4.550 0.001 0.000 0.347 73 Y C -2.922 172.960 175.900 -0.031 0.000 1.005 73 Y CA -3.328 54.759 58.100 -0.021 0.000 1.025 73 Y CB 0.560 39.025 38.460 0.009 0.000 1.275 73 Y HN -0.089 nan 8.280 nan 0.000 0.460 74 P HA 0.137 nan 4.420 nan 0.000 0.264 74 P C -1.340 176.033 177.300 0.121 0.000 1.193 74 P CA 0.036 63.231 63.100 0.159 0.000 0.763 74 P CB 0.443 32.351 31.700 0.347 0.000 0.810 75 K N 3.404 123.768 120.400 -0.061 0.000 2.483 75 K HA 0.417 4.737 4.320 0.001 0.000 0.256 75 K C -0.872 175.766 176.600 0.065 0.000 0.961 75 K CA -0.367 55.919 56.287 -0.002 0.000 0.873 75 K CB 0.909 33.302 32.500 -0.178 0.000 1.107 75 K HN 0.364 nan 8.250 nan 0.000 0.432 76 Y N 0.102 120.558 120.300 0.259 0.000 2.528 76 Y HA 0.423 4.973 4.550 0.001 0.000 0.335 76 Y C 0.809 176.865 175.900 0.261 0.000 1.093 76 Y CA -0.688 57.579 58.100 0.278 0.000 1.134 76 Y CB 1.989 40.522 38.460 0.121 0.000 1.253 76 Y HN 0.569 nan 8.280 nan 0.000 0.478 77 S N -0.212 115.793 115.700 0.508 0.000 2.704 77 S HA 0.546 5.017 4.470 0.001 0.000 0.305 77 S C -0.568 174.256 174.600 0.374 0.000 1.107 77 S CA -0.894 57.561 58.200 0.425 0.000 0.993 77 S CB 0.914 64.439 63.200 0.541 0.000 1.110 77 S HN 0.705 nan 8.310 nan 0.000 0.534 78 C N 2.089 121.570 119.300 0.302 0.000 2.679 78 C HA 0.319 4.780 4.460 0.001 0.000 0.417 78 C C 0.828 175.883 174.990 0.107 0.000 1.302 78 C CA 0.072 59.188 59.018 0.162 0.000 1.973 78 C CB -1.423 26.420 27.740 0.171 0.000 2.715 78 C HN 0.882 nan 8.230 nan 0.000 0.628 79 H N 1.138 119.862 119.070 -0.578 0.000 2.690 79 H HA 0.503 5.059 4.556 0.001 0.000 0.365 79 H C -0.186 174.945 175.328 -0.329 0.000 1.142 79 H CA 0.626 56.324 56.048 -0.583 0.000 1.417 79 H CB 0.339 29.383 29.762 -1.197 0.000 1.446 79 H HN 0.566 nan 8.280 nan 0.000 0.599 80 F N -1.059 118.885 119.950 -0.011 0.000 2.608 80 F HA 0.472 4.999 4.527 0.001 0.000 0.309 80 F C -0.888 174.922 175.800 0.018 0.000 1.103 80 F CA -1.288 56.729 58.000 0.029 0.000 0.954 80 F CB 1.241 40.271 39.000 0.051 0.000 1.267 80 F HN 0.246 nan 8.300 nan 0.000 0.444 81 K N 2.736 123.153 120.400 0.027 0.000 2.156 81 K HA 0.495 4.816 4.320 0.001 0.000 0.271 81 K C -1.146 175.377 176.600 -0.128 0.000 0.995 81 K CA -0.776 55.331 56.287 -0.301 0.000 0.890 81 K CB 0.923 33.097 32.500 -0.543 0.000 1.073 81 K HN 0.626 nan 8.250 nan 0.000 0.454 82 K N 2.653 122.937 120.400 -0.193 0.000 2.579 82 K HA 0.292 4.613 4.320 0.001 0.000 0.250 82 K C 0.045 176.555 176.600 -0.150 0.000 0.952 82 K CA -0.144 56.007 56.287 -0.227 0.000 0.857 82 K CB 1.446 33.525 32.500 -0.701 0.000 1.123 82 K HN 0.966 nan 8.250 nan 0.000 0.433 83 G N 3.550 112.285 108.800 -0.109 0.000 2.556 83 G HA2 -0.375 3.585 3.960 0.001 0.000 0.283 83 G HA3 -0.375 3.585 3.960 0.001 0.000 0.283 83 G C 0.197 175.028 174.900 -0.114 0.000 1.177 83 G CA 0.118 45.171 45.100 -0.078 0.000 0.978 83 G HN 0.576 nan 8.290 nan 0.000 0.554 84 K N 1.193 121.535 120.400 -0.098 0.000 2.437 84 K HA 0.261 4.581 4.320 0.001 0.000 0.198 84 K C 0.985 177.490 176.600 -0.158 0.000 1.024 84 K CA 0.305 56.527 56.287 -0.108 0.000 1.148 84 K CB 0.313 32.776 32.500 -0.061 0.000 0.860 84 K HN 0.422 nan 8.250 nan 0.000 0.515 85 R N -0.292 120.067 120.500 -0.234 0.000 2.837 85 R HA 0.382 4.722 4.340 0.001 0.000 0.271 85 R C -1.183 174.810 176.300 -0.511 0.000 0.993 85 R CA -0.908 54.987 56.100 -0.341 0.000 0.931 85 R CB 1.121 31.143 30.300 -0.464 0.000 1.206 85 R HN -0.086 nan 8.270 nan 0.000 0.474 86 Y N 0.349 120.345 120.300 -0.506 0.000 2.420 86 Y HA 0.498 5.049 4.550 0.001 0.000 0.334 86 Y C -0.384 174.943 175.900 -0.955 0.000 1.094 86 Y CA -0.314 57.499 58.100 -0.479 0.000 1.126 86 Y CB 1.241 39.593 38.460 -0.180 0.000 1.217 86 Y HN 0.343 nan 8.280 nan 0.000 0.462 87 F N 1.457 120.982 119.950 -0.709 0.000 2.603 87 F HA 0.639 5.166 4.527 0.001 0.000 0.317 87 F C -1.021 174.226 175.800 -0.921 0.000 1.066 87 F CA -1.388 56.020 58.000 -0.986 0.000 0.941 87 F CB 1.946 40.064 39.000 -1.470 0.000 1.291 87 F HN 0.406 nan 8.300 nan 0.000 0.472 88 Y N -1.101 118.860 120.300 -0.565 0.000 2.620 88 Y HA 0.648 5.198 4.550 0.001 0.000 0.331 88 Y C -2.225 173.619 175.900 -0.093 0.000 1.173 88 Y CA -2.257 55.669 58.100 -0.290 0.000 1.076 88 Y CB 0.460 38.642 38.460 -0.462 0.000 1.336 88 Y HN 0.387 nan 8.280 nan 0.000 0.459 89 F N 3.123 123.283 119.950 0.350 0.000 2.399 89 F HA 0.610 5.138 4.527 0.001 0.000 0.334 89 F C -0.508 175.539 175.800 0.411 0.000 1.097 89 F CA -0.386 57.792 58.000 0.296 0.000 1.076 89 F CB 1.393 40.547 39.000 0.256 0.000 1.162 89 F HN 0.607 nan 8.300 nan 0.000 0.495 90 Y N 3.343 123.840 120.300 0.329 0.000 2.482 90 Y HA 0.393 4.944 4.550 0.001 0.000 0.334 90 Y C -1.844 174.070 175.900 0.023 0.000 1.091 90 Y CA -1.752 56.367 58.100 0.032 0.000 1.027 90 Y CB 1.448 39.815 38.460 -0.154 0.000 1.306 90 Y HN 0.591 nan 8.280 nan 0.000 0.446 91 N N 2.807 121.202 118.700 -0.509 0.000 2.399 91 N HA 0.176 4.916 4.740 0.001 0.000 0.284 91 N C 0.480 175.440 175.510 -0.917 0.000 1.025 91 N CA 0.311 53.019 53.050 -0.571 0.000 0.885 91 N CB 2.083 40.395 38.487 -0.291 0.000 1.339 91 N HN 0.862 nan 8.380 nan 0.000 0.487 92 T N 0.315 114.327 114.554 -0.903 0.000 2.897 92 T HA 0.107 4.458 4.350 0.001 0.000 0.271 92 T C 1.156 175.689 174.700 -0.279 0.000 1.084 92 T CA 1.544 63.288 62.100 -0.592 0.000 1.123 92 T CB 0.063 68.746 68.868 -0.308 0.000 0.865 92 T HN 0.672 nan 8.240 nan 0.000 0.496 93 G N 0.785 109.399 108.800 -0.311 0.000 4.455 93 G HA2 0.026 3.987 3.960 0.001 0.000 0.182 93 G HA3 0.026 3.987 3.960 0.001 0.000 0.182 93 G C 0.559 175.301 174.900 -0.264 0.000 1.631 93 G CA -0.061 44.867 45.100 -0.287 0.000 0.878 93 G HN 0.419 nan 8.290 nan 0.000 0.295 94 L N 1.781 122.918 121.223 -0.142 0.000 2.959 94 L HA 0.381 4.722 4.340 0.001 0.000 0.259 94 L C 0.807 177.649 176.870 -0.047 0.000 1.185 94 L CA -0.113 54.693 54.840 -0.057 0.000 0.998 94 L CB 0.709 42.766 42.059 -0.003 0.000 1.337 94 L HN 0.251 nan 8.230 nan 0.000 0.555 95 Q N 0.369 120.113 119.800 -0.094 0.000 2.395 95 Q HA -0.009 4.332 4.340 0.001 0.000 0.271 95 Q C 0.615 176.594 176.000 -0.035 0.000 1.026 95 Q CA -0.181 55.579 55.803 -0.071 0.000 0.900 95 Q CB 0.832 29.505 28.738 -0.109 0.000 1.266 95 Q HN 0.171 nan 8.270 nan 0.000 0.430 96 N N 0.780 119.471 118.700 -0.015 0.000 2.120 96 N HA -0.111 4.629 4.740 0.001 0.000 0.188 96 N C -0.192 175.324 175.510 0.009 0.000 1.024 96 N CA 1.286 54.340 53.050 0.007 0.000 0.852 96 N CB 0.341 38.832 38.487 0.007 0.000 1.003 96 N HN 0.472 nan 8.380 nan 0.000 0.424 97 Q N 0.379 120.177 119.800 -0.004 0.000 2.375 97 Q HA 0.247 4.587 4.340 0.001 0.000 0.271 97 Q C -0.350 175.652 176.000 0.002 0.000 1.074 97 Q CA -0.579 55.229 55.803 0.008 0.000 0.808 97 Q CB 2.712 31.461 28.738 0.018 0.000 1.327 97 Q HN 0.343 nan 8.270 nan 0.000 0.441 98 R N -0.322 120.196 120.500 0.030 0.000 2.594 98 R HA 0.505 4.846 4.340 0.001 0.000 0.272 98 R C -0.455 175.933 176.300 0.147 0.000 1.074 98 R CA -0.413 55.729 56.100 0.069 0.000 1.105 98 R CB 0.256 30.625 30.300 0.116 0.000 1.008 98 R HN 0.198 nan 8.270 nan 0.000 0.472 99 V N 3.221 123.214 119.914 0.132 0.000 2.612 99 V HA 0.231 4.351 4.120 0.001 0.000 0.301 99 V C -0.245 175.863 176.094 0.023 0.000 1.046 99 V CA -1.092 61.219 62.300 0.018 0.000 0.946 99 V CB 1.448 33.169 31.823 -0.170 0.000 1.003 99 V HN 0.609 nan 8.190 nan 0.000 0.459 100 L N 4.994 126.086 121.223 -0.218 0.000 2.264 100 L HA 0.544 4.884 4.340 0.001 0.000 0.289 100 L C -0.986 175.602 176.870 -0.470 0.000 1.044 100 L CA 0.143 54.709 54.840 -0.456 0.000 0.807 100 L CB 0.404 42.156 42.059 -0.511 0.000 1.192 100 L HN 0.521 nan 8.230 nan 0.000 0.425 101 Y N 3.567 123.519 120.300 -0.580 0.000 2.496 101 Y HA 0.718 5.268 4.550 0.001 0.000 0.331 101 Y C -0.131 175.370 175.900 -0.666 0.000 1.140 101 Y CA -0.566 57.166 58.100 -0.614 0.000 1.166 101 Y CB 2.035 39.886 38.460 -1.016 0.000 1.249 101 Y HN 0.421 nan 8.280 nan 0.000 0.479 102 V N 2.861 122.542 119.914 -0.390 0.000 2.876 102 V HA 0.619 4.739 4.120 0.001 0.000 0.312 102 V C -1.700 174.155 176.094 -0.398 0.000 1.085 102 V CA -0.448 61.423 62.300 -0.715 0.000 0.945 102 V CB 1.948 33.250 31.823 -0.868 0.000 1.017 102 V HN 0.901 nan 8.190 nan 0.000 0.428 103 Q N 3.108 122.663 119.800 -0.409 0.000 2.377 103 Q HA 0.511 4.851 4.340 0.001 0.000 0.279 103 Q C -1.176 174.725 176.000 -0.165 0.000 1.049 103 Q CA -0.875 54.823 55.803 -0.176 0.000 0.825 103 Q CB 2.224 30.942 28.738 -0.034 0.000 1.401 103 Q HN 0.582 nan 8.270 nan 0.000 0.404 104 D N 1.088 121.430 120.400 -0.097 0.000 2.349 104 D HA 0.032 4.672 4.640 0.001 0.000 0.224 104 D C 0.026 176.344 176.300 0.031 0.000 1.029 104 D CA 1.037 55.000 54.000 -0.062 0.000 0.879 104 D CB 0.505 41.270 40.800 -0.058 0.000 0.906 104 D HN 0.617 nan 8.370 nan 0.000 0.528 105 S N -1.171 114.568 115.700 0.066 0.000 2.578 105 S HA 0.170 4.640 4.470 0.001 0.000 0.272 105 S C 0.241 174.803 174.600 -0.064 0.000 1.145 105 S CA -0.756 57.498 58.200 0.089 0.000 0.835 105 S CB 1.187 64.404 63.200 0.028 0.000 1.104 105 S HN -0.136 nan 8.310 nan 0.000 0.458 106 L N 1.242 122.320 121.223 -0.241 0.000 2.191 106 L HA 0.151 4.491 4.340 0.001 0.000 0.212 106 L C 2.047 178.795 176.870 -0.203 0.000 1.103 106 L CA 1.953 56.555 54.840 -0.396 0.000 0.769 106 L CB -0.851 40.933 42.059 -0.458 0.000 0.908 106 L HN 0.890 nan 8.230 nan 0.000 0.438 107 E N -1.438 118.684 120.200 -0.130 0.000 2.474 107 E HA 0.170 4.520 4.350 0.001 0.000 0.195 107 E C 0.988 177.541 176.600 -0.078 0.000 1.039 107 E CA 0.199 56.536 56.400 -0.106 0.000 0.881 107 E CB 0.113 29.764 29.700 -0.082 0.000 0.970 107 E HN 0.448 nan 8.360 nan 0.000 0.486 108 G N 2.195 110.957 108.800 -0.062 0.000 2.572 108 G HA2 0.093 4.053 3.960 0.001 0.000 0.261 108 G HA3 0.093 4.053 3.960 0.001 0.000 0.261 108 G C -0.258 174.622 174.900 -0.033 0.000 1.197 108 G CA -0.579 44.496 45.100 -0.041 0.000 0.870 108 G HN 0.137 nan 8.290 nan 0.000 0.548 109 E N -0.080 120.106 120.200 -0.024 0.000 2.344 109 E HA 0.479 4.830 4.350 0.001 0.000 0.270 109 E C 0.186 176.792 176.600 0.009 0.000 1.021 109 E CA -0.529 55.865 56.400 -0.009 0.000 0.887 109 E CB 1.050 30.746 29.700 -0.006 0.000 0.997 109 E HN 0.455 nan 8.360 nan 0.000 0.429 110 A N 4.145 126.992 122.820 0.045 0.000 2.316 110 A HA 0.477 4.797 4.320 0.001 0.000 0.284 110 A C -0.041 177.611 177.584 0.113 0.000 1.115 110 A CA -0.765 51.322 52.037 0.083 0.000 0.812 110 A CB 0.517 19.620 19.000 0.171 0.000 1.064 110 A HN 0.841 nan 8.150 nan 0.000 0.489 111 R N 0.511 121.066 120.500 0.093 0.000 2.837 111 R HA 0.670 5.011 4.340 0.001 0.000 0.271 111 R C -1.602 174.697 176.300 -0.002 0.000 0.993 111 R CA -0.849 55.295 56.100 0.073 0.000 0.931 111 R CB 1.102 31.407 30.300 0.008 0.000 1.206 111 R HN 0.287 nan 8.270 nan 0.000 0.474 112 V N 2.838 122.675 119.914 -0.129 0.000 2.529 112 V HA 0.008 4.129 4.120 0.001 0.000 0.292 112 V C 0.293 176.257 176.094 -0.217 0.000 1.028 112 V CA 0.331 62.392 62.300 -0.399 0.000 1.074 112 V CB 0.300 31.910 31.823 -0.356 0.000 0.958 112 V HN 0.732 nan 8.190 nan 0.000 0.481 113 F N 5.507 125.204 119.950 -0.422 0.000 2.419 113 F HA 0.467 4.995 4.527 0.001 0.000 0.283 113 F C 0.320 175.933 175.800 -0.313 0.000 1.044 113 F CA 0.325 58.140 58.000 -0.308 0.000 1.376 113 F CB 0.618 39.457 39.000 -0.269 0.000 1.131 113 F HN 0.354 nan 8.300 nan 0.000 0.585 114 L N 1.199 122.191 121.223 -0.385 0.000 2.541 114 L HA 0.349 4.689 4.340 0.001 0.000 0.266 114 L C -1.853 174.851 176.870 -0.278 0.000 0.966 114 L CA -0.395 54.202 54.840 -0.407 0.000 0.871 114 L CB 1.170 42.971 42.059 -0.431 0.000 1.232 114 L HN -0.040 nan 8.230 nan 0.000 0.408 115 D N 6.242 126.497 120.400 -0.241 0.000 2.460 115 D HA 0.476 5.117 4.640 0.001 0.000 0.232 115 D C -2.037 174.198 176.300 -0.107 0.000 1.079 115 D CA -2.075 51.820 54.000 -0.174 0.000 0.864 115 D CB 2.056 42.750 40.800 -0.177 0.000 1.048 115 D HN 0.303 nan 8.370 nan 0.000 0.523 116 P HA -0.004 nan 4.420 nan 0.000 0.226 116 P C 1.030 178.317 177.300 -0.021 0.000 1.153 116 P CA 0.387 63.473 63.100 -0.023 0.000 0.777 116 P CB 0.347 32.059 31.700 0.019 0.000 0.794 117 N N 0.433 119.112 118.700 -0.034 0.000 2.223 117 N HA -0.112 4.629 4.740 0.001 0.000 0.185 117 N C 1.626 177.120 175.510 -0.028 0.000 1.016 117 N CA 1.203 54.236 53.050 -0.029 0.000 0.863 117 N CB -0.436 38.029 38.487 -0.038 0.000 0.983 117 N HN 0.342 nan 8.380 nan 0.000 0.429 118 I N -1.771 118.776 120.570 -0.038 0.000 3.444 118 I HA 0.030 4.201 4.170 0.001 0.000 0.287 118 I C 1.219 177.323 176.117 -0.022 0.000 1.302 118 I CA 0.512 61.793 61.300 -0.033 0.000 1.368 118 I CB -0.259 37.715 38.000 -0.045 0.000 1.048 118 I HN -0.066 nan 8.210 nan 0.000 0.487 119 L N 1.262 122.476 121.223 -0.015 0.000 2.558 119 L HA 0.228 4.569 4.340 0.001 0.000 0.225 119 L C 0.500 177.369 176.870 -0.001 0.000 1.128 119 L CA 0.120 54.958 54.840 -0.003 0.000 0.868 119 L CB -0.313 41.753 42.059 0.011 0.000 1.006 119 L HN 0.559 nan 8.230 nan 0.000 0.454 120 S N -3.791 111.906 115.700 -0.005 0.000 2.556 120 S HA 0.202 4.673 4.470 0.001 0.000 0.280 120 S C -0.249 174.347 174.600 -0.005 0.000 1.141 120 S CA -0.844 57.353 58.200 -0.005 0.000 0.883 120 S CB 1.498 64.695 63.200 -0.004 0.000 1.103 120 S HN -0.107 nan 8.310 nan 0.000 0.453 121 D N 1.442 121.839 120.400 -0.004 0.000 2.144 121 D HA -0.052 4.589 4.640 0.001 0.000 0.199 121 D C 1.194 177.493 176.300 -0.001 0.000 0.984 121 D CA 2.194 56.192 54.000 -0.003 0.000 0.834 121 D CB -0.078 40.722 40.800 -0.001 0.000 0.955 121 D HN 0.830 nan 8.370 nan 0.000 0.465 122 D N -1.814 118.586 120.400 0.000 0.000 2.369 122 D HA 0.177 4.817 4.640 0.001 0.000 0.211 122 D C 1.297 177.600 176.300 0.005 0.000 1.077 122 D CA 0.520 54.522 54.000 0.004 0.000 0.842 122 D CB -0.170 40.633 40.800 0.006 0.000 0.947 122 D HN 0.133 nan 8.370 nan 0.000 0.509 123 G N 0.804 109.605 108.800 0.002 0.000 2.176 123 G HA2 -0.321 3.640 3.960 0.001 0.000 0.252 123 G HA3 -0.321 3.640 3.960 0.001 0.000 0.252 123 G C 0.905 175.809 174.900 0.007 0.000 1.024 123 G CA 0.881 45.984 45.100 0.005 0.000 0.755 123 G HN 0.599 nan 8.290 nan 0.000 0.507 124 T N -2.957 111.597 114.554 -0.000 0.000 3.169 124 T HA 0.491 4.841 4.350 0.001 0.000 0.250 124 T C 0.626 175.322 174.700 -0.006 0.000 1.111 124 T CA 0.433 62.528 62.100 -0.008 0.000 1.010 124 T CB 0.958 69.810 68.868 -0.028 0.000 0.984 124 T HN 0.579 nan 8.240 nan 0.000 0.537 125 V N 1.821 121.738 119.914 0.006 0.000 2.384 125 V HA 0.801 4.921 4.120 0.001 0.000 0.287 125 V C 0.064 176.179 176.094 0.036 0.000 1.020 125 V CA -0.823 61.488 62.300 0.019 0.000 0.850 125 V CB 0.793 32.629 31.823 0.021 0.000 0.987 125 V HN 0.673 nan 8.190 nan 0.000 0.436 126 A N 4.545 127.394 122.820 0.050 0.000 2.469 126 A HA 0.865 5.185 4.320 0.001 0.000 0.299 126 A C -1.018 176.623 177.584 0.095 0.000 1.098 126 A CA -0.780 51.295 52.037 0.064 0.000 0.737 126 A CB 1.549 20.580 19.000 0.051 0.000 1.312 126 A HN 0.815 nan 8.150 nan 0.000 0.414 127 L N 0.936 122.230 121.223 0.118 0.000 2.453 127 L HA 0.492 4.832 4.340 0.001 0.000 0.272 127 L C 0.554 177.511 176.870 0.145 0.000 1.182 127 L CA 0.781 55.727 54.840 0.176 0.000 0.858 127 L CB 0.249 42.441 42.059 0.221 0.000 1.120 127 L HN 0.681 nan 8.230 nan 0.000 0.474 128 R N 4.369 124.960 120.500 0.152 0.000 2.721 128 R HA 0.539 4.880 4.340 0.001 0.000 0.272 128 R C -0.635 175.733 176.300 0.113 0.000 1.721 128 R CA 0.189 56.356 56.100 0.111 0.000 1.325 128 R CB 0.359 30.703 30.300 0.072 0.000 1.271 128 R HN 1.070 nan 8.270 nan 0.000 0.556 129 G N 2.786 111.676 108.800 0.151 0.000 2.705 129 G HA2 -0.201 3.760 3.960 0.001 0.000 0.686 129 G HA3 -0.201 3.760 3.960 0.001 0.000 0.686 129 G C -1.463 173.555 174.900 0.196 0.000 1.285 129 G CA -0.256 44.899 45.100 0.092 0.000 0.800 129 G HN 0.726 nan 8.290 nan 0.000 0.611 130 Y N -2.421 117.918 120.300 0.065 0.000 2.677 130 Y HA 0.888 5.438 4.550 0.001 0.000 0.334 130 Y C -0.312 175.620 175.900 0.053 0.000 1.196 130 Y CA -1.040 57.047 58.100 -0.021 0.000 1.059 130 Y CB 0.915 39.439 38.460 0.106 0.000 1.315 130 Y HN 2.257 nan 8.280 nan 0.000 0.455 131 A N 1.994 124.913 122.820 0.165 0.000 2.465 131 A HA 0.707 5.028 4.320 0.001 0.000 0.292 131 A C -2.171 175.695 177.584 0.470 0.000 1.041 131 A CA -0.585 51.669 52.037 0.360 0.000 0.718 131 A CB 0.554 19.786 19.000 0.387 0.000 1.266 131 A HN 0.606 nan 8.150 nan 0.000 0.403 132 F N 1.882 122.087 119.950 0.426 0.000 2.379 132 F HA 0.498 5.026 4.527 0.001 0.000 0.332 132 F C 1.515 177.182 175.800 -0.221 0.000 1.096 132 F CA 0.398 58.517 58.000 0.199 0.000 1.105 132 F CB 1.798 40.879 39.000 0.135 0.000 1.189 132 F HN 0.677 nan 8.300 nan 0.000 0.515 133 S N 0.772 116.128 115.700 -0.574 0.000 2.584 133 S HA 0.024 4.494 4.470 0.001 0.000 0.270 133 S C 1.130 175.617 174.600 -0.187 0.000 1.346 133 S CA -0.489 57.210 58.200 -0.835 0.000 1.018 133 S CB 1.019 63.677 63.200 -0.903 0.000 0.899 133 S HN 0.734 nan 8.310 nan 0.000 0.542 134 E N 1.315 121.442 120.200 -0.123 0.000 2.130 134 E HA -0.236 4.115 4.350 0.001 0.000 0.196 134 E C 1.239 177.779 176.600 -0.100 0.000 0.998 134 E CA 2.087 58.386 56.400 -0.168 0.000 0.806 134 E CB -0.428 28.991 29.700 -0.470 0.000 0.738 134 E HN 0.875 nan 8.360 nan 0.000 0.459 135 D N -1.482 118.883 120.400 -0.058 0.000 2.349 135 D HA 0.066 4.707 4.640 0.001 0.000 0.224 135 D C 1.344 177.642 176.300 -0.004 0.000 1.029 135 D CA 0.821 54.810 54.000 -0.017 0.000 0.879 135 D CB -0.284 40.528 40.800 0.020 0.000 0.906 135 D HN 0.319 nan 8.370 nan 0.000 0.528 136 G N 0.491 109.293 108.800 0.005 0.000 2.155 136 G HA2 -0.319 3.641 3.960 0.001 0.000 0.257 136 G HA3 -0.319 3.641 3.960 0.001 0.000 0.257 136 G C 0.883 175.847 174.900 0.107 0.000 0.983 136 G CA 0.444 45.576 45.100 0.053 0.000 0.676 136 G HN 0.384 nan 8.290 nan 0.000 0.528 137 E N -1.237 119.003 120.200 0.067 0.000 2.400 137 E HA 0.190 4.541 4.350 0.001 0.000 0.195 137 E C 0.317 176.789 176.600 -0.214 0.000 1.012 137 E CA 0.524 56.912 56.400 -0.019 0.000 0.875 137 E CB 0.290 29.995 29.700 0.008 0.000 0.859 137 E HN 0.645 nan 8.360 nan 0.000 0.498 138 Y N -0.657 119.644 120.300 0.002 0.000 2.570 138 Y HA 0.459 5.010 4.550 0.001 0.000 0.345 138 Y C -0.759 175.199 175.900 0.097 0.000 1.014 138 Y CA -1.301 56.818 58.100 0.031 0.000 1.063 138 Y CB 1.742 40.100 38.460 -0.170 0.000 1.272 138 Y HN -0.196 nan 8.280 nan 0.000 0.477 139 F N 1.574 121.687 119.950 0.271 0.000 2.588 139 F HA 0.829 5.356 4.527 0.001 0.000 0.314 139 F C -1.413 174.597 175.800 0.349 0.000 1.134 139 F CA -0.859 57.188 58.000 0.077 0.000 0.961 139 F CB 1.065 39.932 39.000 -0.222 0.000 1.239 139 F HN 0.525 nan 8.300 nan 0.000 0.448 140 A N 5.127 127.757 122.820 -0.318 0.000 2.337 140 A HA 0.830 5.151 4.320 0.001 0.000 0.329 140 A C -2.053 175.001 177.584 -0.883 0.000 1.146 140 A CA -0.489 51.105 52.037 -0.737 0.000 0.800 140 A CB 0.847 19.464 19.000 -0.637 0.000 1.220 140 A HN 1.101 nan 8.150 nan 0.000 0.472 141 Y N -0.836 118.962 120.300 -0.837 0.000 2.552 141 Y HA 0.716 5.267 4.550 0.001 0.000 0.337 141 Y C -0.016 175.711 175.900 -0.289 0.000 1.094 141 Y CA -0.971 56.830 58.100 -0.497 0.000 1.028 141 Y CB 0.743 38.956 38.460 -0.410 0.000 1.321 141 Y HN 0.878 nan 8.280 nan 0.000 0.456 142 G N 2.976 111.738 108.800 -0.064 0.000 2.389 142 G HA2 0.643 4.603 3.960 0.001 0.000 0.317 142 G HA3 0.643 4.603 3.960 0.001 0.000 0.317 142 G C -1.589 173.346 174.900 0.059 0.000 1.137 142 G CA -1.059 43.992 45.100 -0.082 0.000 0.870 142 G HN 0.743 nan 8.290 nan 0.000 0.496 143 L N 1.086 122.317 121.223 0.013 0.000 2.385 143 L HA 0.515 4.856 4.340 0.001 0.000 0.273 143 L C -0.140 176.761 176.870 0.051 0.000 0.990 143 L CA -0.674 54.210 54.840 0.073 0.000 0.821 143 L CB 2.406 44.510 42.059 0.075 0.000 1.279 143 L HN 0.421 nan 8.230 nan 0.000 0.412 144 S N 1.549 117.287 115.700 0.064 0.000 2.500 144 S HA 0.787 5.257 4.470 0.001 0.000 0.301 144 S C -0.399 174.229 174.600 0.046 0.000 1.092 144 S CA -0.591 57.648 58.200 0.065 0.000 1.030 144 S CB 2.015 65.254 63.200 0.066 0.000 1.031 144 S HN 0.658 nan 8.310 nan 0.000 0.483 145 A N 1.526 124.368 122.820 0.036 0.000 2.317 145 A HA 0.740 5.060 4.320 0.001 0.000 0.327 145 A C 0.640 178.187 177.584 -0.062 0.000 1.178 145 A CA -0.571 51.460 52.037 -0.010 0.000 0.817 145 A CB 0.233 19.222 19.000 -0.019 0.000 1.189 145 A HN 1.209 nan 8.150 nan 0.000 0.489 146 S N 0.591 116.224 115.700 -0.111 0.000 3.521 146 S HA -0.171 4.300 4.470 0.001 0.000 0.328 146 S C 1.404 175.951 174.600 -0.088 0.000 1.165 146 S CA 1.834 59.908 58.200 -0.210 0.000 0.941 146 S CB -1.596 61.224 63.200 -0.634 0.000 0.951 146 S HN 2.804 nan 8.310 nan 0.000 0.539 147 G N -0.089 108.713 108.800 0.003 0.000 2.179 147 G HA2 -0.325 3.636 3.960 0.001 0.000 0.260 147 G HA3 -0.325 3.636 3.960 0.001 0.000 0.260 147 G C 0.183 175.145 174.900 0.103 0.000 0.977 147 G CA 0.807 45.946 45.100 0.064 0.000 0.641 147 G HN 1.524 nan 8.290 nan 0.000 0.533 148 S N -0.164 115.605 115.700 0.116 0.000 2.579 148 S HA 0.352 4.823 4.470 0.001 0.000 0.275 148 S C 1.316 175.952 174.600 0.061 0.000 1.345 148 S CA 0.504 58.791 58.200 0.145 0.000 1.031 148 S CB 0.632 63.986 63.200 0.256 0.000 0.892 148 S HN 0.192 nan 8.310 nan 0.000 0.529 149 D N 2.189 122.552 120.400 -0.062 0.000 2.312 149 D HA 0.019 4.660 4.640 0.001 0.000 0.211 149 D C -0.033 176.106 176.300 -0.268 0.000 0.964 149 D CA 0.337 54.196 54.000 -0.234 0.000 0.877 149 D CB 0.008 40.520 40.800 -0.479 0.000 0.924 149 D HN 0.598 nan 8.370 nan 0.000 0.515 150 W N 0.605 121.837 121.300 -0.112 0.000 2.193 150 W HA 0.188 4.849 4.660 0.001 0.000 0.338 150 W C 0.259 176.740 176.519 -0.063 0.000 1.310 150 W CA -0.344 56.946 57.345 -0.090 0.000 1.243 150 W CB 0.712 30.146 29.460 -0.043 0.000 1.165 150 W HN -0.381 nan 8.180 nan 0.000 0.566 151 V N 2.439 122.519 119.914 0.276 0.000 2.876 151 V HA 0.435 4.556 4.120 0.001 0.000 0.312 151 V C -0.299 175.835 176.094 0.067 0.000 1.085 151 V CA -0.952 61.420 62.300 0.119 0.000 0.945 151 V CB 2.384 34.241 31.823 0.057 0.000 1.017 151 V HN 0.413 nan 8.190 nan 0.000 0.428 152 T N 5.072 119.615 114.554 -0.018 0.000 2.770 152 T HA 0.611 4.962 4.350 0.001 0.000 0.283 152 T C -0.278 174.300 174.700 -0.203 0.000 0.988 152 T CA -0.122 61.921 62.100 -0.095 0.000 0.957 152 T CB 0.717 69.530 68.868 -0.092 0.000 0.930 152 T HN 0.378 nan 8.240 nan 0.000 0.443 153 I N 3.876 124.276 120.570 -0.283 0.000 2.342 153 I HA 0.376 4.547 4.170 0.001 0.000 0.291 153 I C 0.524 176.299 176.117 -0.570 0.000 1.010 153 I CA -0.479 60.534 61.300 -0.480 0.000 1.308 153 I CB 0.825 38.513 38.000 -0.521 0.000 1.400 153 I HN 0.357 nan 8.210 nan 0.000 0.488 154 K N 5.295 125.157 120.400 -0.897 0.000 2.352 154 K HA 0.724 5.045 4.320 0.001 0.000 0.240 154 K C -1.361 174.723 176.600 -0.860 0.000 1.017 154 K CA -0.716 55.143 56.287 -0.714 0.000 0.851 154 K CB 2.176 34.273 32.500 -0.670 0.000 1.261 154 K HN 0.209 nan 8.250 nan 0.000 0.451 155 F N 0.556 120.408 119.950 -0.162 0.000 2.603 155 F HA 0.565 5.092 4.527 0.001 0.000 0.317 155 F C -0.273 175.708 175.800 0.301 0.000 1.066 155 F CA -0.827 57.246 58.000 0.122 0.000 0.941 155 F CB 1.849 40.946 39.000 0.162 0.000 1.291 155 F HN 0.166 nan 8.300 nan 0.000 0.472 156 M N 1.378 121.345 119.600 0.611 0.000 2.531 156 M HA 0.348 4.828 4.480 0.001 0.000 0.286 156 M C -1.099 175.432 176.300 0.384 0.000 1.232 156 M CA -0.831 54.733 55.300 0.440 0.000 0.877 156 M CB 2.999 35.807 32.600 0.346 0.000 1.726 156 M HN 0.479 nan 8.290 nan 0.000 0.463 157 K N 1.311 121.820 120.400 0.181 0.000 2.227 157 K HA 0.397 4.718 4.320 0.001 0.000 0.280 157 K C 0.236 176.849 176.600 0.022 0.000 1.041 157 K CA -0.364 55.842 56.287 -0.136 0.000 0.905 157 K CB 1.319 33.723 32.500 -0.160 0.000 1.068 157 K HN 0.611 nan 8.250 nan 0.000 0.470 158 V N 2.315 122.248 119.914 0.030 0.000 2.287 158 V HA -0.194 3.927 4.120 0.001 0.000 0.248 158 V C 0.832 177.042 176.094 0.192 0.000 1.053 158 V CA 1.532 63.991 62.300 0.264 0.000 1.027 158 V CB -0.461 31.479 31.823 0.195 0.000 0.646 158 V HN 0.878 nan 8.190 nan 0.000 0.447 159 D N 0.035 120.457 120.400 0.036 0.000 2.363 159 D HA 0.323 4.963 4.640 0.001 0.000 0.263 159 D C 1.131 177.453 176.300 0.037 0.000 1.258 159 D CA 1.165 55.180 54.000 0.024 0.000 0.907 159 D CB 0.356 41.149 40.800 -0.013 0.000 1.107 159 D HN 0.445 nan 8.370 nan 0.000 0.495 160 G N 3.275 112.108 108.800 0.055 0.000 2.175 160 G HA2 -0.179 3.782 3.960 0.001 0.000 0.244 160 G HA3 -0.179 3.782 3.960 0.001 0.000 0.244 160 G C 0.735 175.654 174.900 0.032 0.000 0.982 160 G CA 0.370 45.491 45.100 0.035 0.000 0.641 160 G HN 1.644 nan 8.290 nan 0.000 0.527 161 A N -1.087 121.782 122.820 0.081 0.000 2.610 161 A HA -0.078 4.242 4.320 0.001 0.000 0.299 161 A C 0.711 178.255 177.584 -0.066 0.000 1.487 161 A CA 2.083 54.094 52.037 -0.044 0.000 0.743 161 A CB -1.224 17.662 19.000 -0.190 0.000 1.070 161 A HN 0.933 nan 8.150 nan 0.000 0.439 162 K N 0.825 121.230 120.400 0.009 0.000 2.276 162 K HA 0.262 4.582 4.320 0.001 0.000 0.283 162 K C 0.455 177.097 176.600 0.070 0.000 1.044 162 K CA -0.225 56.080 56.287 0.030 0.000 0.944 162 K CB 0.965 33.495 32.500 0.050 0.000 1.012 162 K HN 0.784 nan 8.250 nan 0.000 0.472 163 E N 3.735 123.973 120.200 0.063 0.000 2.338 163 E HA 0.142 4.492 4.350 0.001 0.000 0.272 163 E C -0.660 176.020 176.600 0.134 0.000 1.029 163 E CA -0.293 56.172 56.400 0.108 0.000 0.872 163 E CB 0.602 30.347 29.700 0.076 0.000 1.015 163 E HN 0.350 nan 8.360 nan 0.000 0.417 164 L N 4.968 126.303 121.223 0.187 0.000 2.332 164 L HA 0.342 4.682 4.340 0.001 0.000 0.269 164 L C -1.721 175.223 176.870 0.124 0.000 1.016 164 L CA -2.106 52.838 54.840 0.173 0.000 0.809 164 L CB 1.378 43.586 42.059 0.248 0.000 1.280 164 L HN 0.547 nan 8.230 nan 0.000 0.447 165 P HA -0.039 nan 4.420 nan 0.000 0.222 165 P C -0.655 176.659 177.300 0.023 0.000 1.153 165 P CA 0.531 63.654 63.100 0.039 0.000 0.798 165 P CB 0.049 31.760 31.700 0.019 0.000 0.796 166 D N -0.222 120.188 120.400 0.016 0.000 2.487 166 D HA 0.164 4.804 4.640 0.001 0.000 0.243 166 D C -0.297 176.022 176.300 0.033 0.000 1.154 166 D CA 0.674 54.652 54.000 -0.036 0.000 0.876 166 D CB 0.233 40.868 40.800 -0.276 0.000 1.161 166 D HN -0.122 nan 8.370 nan 0.000 0.478 167 V N 3.474 123.334 119.914 -0.090 0.000 2.668 167 V HA 0.327 4.448 4.120 0.001 0.000 0.304 167 V C -0.432 175.525 176.094 -0.229 0.000 1.071 167 V CA -0.847 61.380 62.300 -0.121 0.000 0.894 167 V CB 1.610 33.376 31.823 -0.096 0.000 1.008 167 V HN 0.378 nan 8.190 nan 0.000 0.425 168 L N 4.364 125.418 121.223 -0.283 0.000 2.333 168 L HA 0.702 5.042 4.340 0.001 0.000 0.280 168 L C -0.156 176.587 176.870 -0.210 0.000 1.004 168 L CA -0.513 54.113 54.840 -0.356 0.000 0.820 168 L CB 1.824 43.486 42.059 -0.661 0.000 1.247 168 L HN 0.541 nan 8.230 nan 0.000 0.416 169 E N 2.295 122.416 120.200 -0.132 0.000 2.264 169 E HA 0.485 4.835 4.350 0.001 0.000 0.260 169 E C -0.206 176.406 176.600 0.021 0.000 0.961 169 E CA -0.883 55.475 56.400 -0.070 0.000 0.834 169 E CB 1.751 31.392 29.700 -0.098 0.000 1.230 169 E HN 0.394 nan 8.360 nan 0.000 0.412 170 R N -1.134 119.385 120.500 0.031 0.000 3.776 170 R HA -0.123 4.217 4.340 0.001 0.000 0.312 170 R C -0.539 176.049 176.300 0.481 0.000 1.181 170 R CA 0.189 56.393 56.100 0.174 0.000 0.836 170 R CB -1.951 28.434 30.300 0.141 0.000 1.324 170 R HN 0.178 nan 8.270 nan 0.000 0.501 171 V N 1.123 121.279 119.914 0.403 0.000 2.465 171 V HA 0.417 4.538 4.120 0.001 0.000 0.279 171 V C 0.425 176.739 176.094 0.366 0.000 1.045 171 V CA 0.065 62.592 62.300 0.378 0.000 0.938 171 V CB 1.619 33.571 31.823 0.215 0.000 0.986 171 V HN 0.164 nan 8.190 nan 0.000 0.467 172 K N 3.994 124.548 120.400 0.255 0.000 2.569 172 K HA 0.411 4.731 4.320 0.001 0.000 0.259 172 K C -1.037 175.566 176.600 0.005 0.000 0.932 172 K CA -0.742 55.467 56.287 -0.130 0.000 0.833 172 K CB 1.061 33.223 32.500 -0.563 0.000 1.340 172 K HN 0.315 nan 8.250 nan 0.000 0.429 173 F N -0.203 119.813 119.950 0.111 0.000 3.027 173 F HA -0.226 4.302 4.527 0.001 0.000 0.276 173 F C 0.200 176.063 175.800 0.104 0.000 0.967 173 F CA 0.918 58.975 58.000 0.095 0.000 0.929 173 F CB -2.008 37.057 39.000 0.108 0.000 0.873 173 F HN 0.357 nan 8.300 nan 0.000 0.787 174 S N -0.371 115.460 115.700 0.219 0.000 2.617 174 S HA 0.724 5.195 4.470 0.001 0.000 0.283 174 S C 0.369 175.065 174.600 0.160 0.000 1.189 174 S CA -0.226 58.088 58.200 0.190 0.000 1.036 174 S CB 0.981 64.305 63.200 0.206 0.000 1.014 174 S HN 0.593 nan 8.310 nan 0.000 0.522 175 C N 3.447 122.845 119.300 0.164 0.000 2.347 175 C HA 0.809 5.269 4.460 0.001 0.000 0.366 175 C C -0.208 174.894 174.990 0.186 0.000 1.241 175 C CA -0.905 58.206 59.018 0.155 0.000 2.360 175 C CB -0.339 27.492 27.740 0.151 0.000 2.290 175 C HN 0.816 nan 8.230 nan 0.000 0.587 176 M N 2.294 121.999 119.600 0.175 0.000 2.164 176 M HA 0.533 5.013 4.480 0.001 0.000 0.260 176 M C -0.706 175.738 176.300 0.239 0.000 0.974 176 M CA 0.016 55.417 55.300 0.168 0.000 1.020 176 M CB 1.826 34.470 32.600 0.074 0.000 1.903 176 M HN 1.039 nan 8.290 nan 0.000 0.469 177 A N 2.998 126.008 122.820 0.316 0.000 2.414 177 A HA 0.734 5.055 4.320 0.001 0.000 0.286 177 A C -2.010 175.883 177.584 0.515 0.000 1.073 177 A CA -0.473 51.830 52.037 0.443 0.000 0.727 177 A CB 0.824 20.088 19.000 0.440 0.000 1.215 177 A HN 0.839 nan 8.150 nan 0.000 0.430 178 W N 2.093 123.624 121.300 0.385 0.000 2.261 178 W HA 0.462 5.123 4.660 0.001 0.000 0.323 178 W C 1.069 177.855 176.519 0.445 0.000 1.243 178 W CA 0.411 57.974 57.345 0.363 0.000 1.210 178 W CB 1.088 30.728 29.460 0.301 0.000 1.149 178 W HN 0.741 nan 8.180 nan 0.000 0.562 179 T N -1.284 113.659 114.554 0.649 0.000 2.898 179 T HA 0.068 4.419 4.350 0.001 0.000 0.301 179 T C 0.736 175.780 174.700 0.574 0.000 1.049 179 T CA -0.311 62.117 62.100 0.547 0.000 1.095 179 T CB 0.641 69.747 68.868 0.396 0.000 0.976 179 T HN 0.571 nan 8.240 nan 0.000 0.539 180 H N 0.459 119.697 119.070 0.280 0.000 2.559 180 H HA -0.050 4.506 4.556 0.001 0.000 0.273 180 H C 1.392 176.824 175.328 0.174 0.000 1.000 180 H CA 0.722 56.900 56.048 0.217 0.000 1.195 180 H CB 0.236 30.104 29.762 0.177 0.000 1.368 180 H HN 0.758 nan 8.280 nan 0.000 0.592 181 D N -0.308 120.266 120.400 0.291 0.000 2.355 181 D HA -0.011 4.629 4.640 0.001 0.000 0.218 181 D C 1.736 178.145 176.300 0.182 0.000 1.004 181 D CA 0.726 54.842 54.000 0.194 0.000 0.880 181 D CB -0.286 40.605 40.800 0.150 0.000 0.911 181 D HN 0.346 nan 8.370 nan 0.000 0.528 182 G N 1.206 110.153 108.800 0.245 0.000 2.155 182 G HA2 -0.435 3.526 3.960 0.001 0.000 0.257 182 G HA3 -0.435 3.526 3.960 0.001 0.000 0.257 182 G C 0.916 175.942 174.900 0.211 0.000 0.983 182 G CA 0.746 45.980 45.100 0.222 0.000 0.676 182 G HN 0.562 nan 8.290 nan 0.000 0.528 183 K N -0.128 120.401 120.400 0.214 0.000 2.186 183 K HA 0.407 4.727 4.320 0.001 0.000 0.202 183 K C 1.370 177.981 176.600 0.019 0.000 1.052 183 K CA 1.503 57.859 56.287 0.117 0.000 0.965 183 K CB -0.020 32.564 32.500 0.140 0.000 0.746 183 K HN 0.963 nan 8.250 nan 0.000 0.457 184 G N -0.111 108.718 108.800 0.049 0.000 2.488 184 G HA2 0.373 4.334 3.960 0.001 0.000 0.301 184 G HA3 0.373 4.334 3.960 0.001 0.000 0.301 184 G C -1.989 172.600 174.900 -0.519 0.000 1.339 184 G CA -0.777 44.028 45.100 -0.491 0.000 0.803 184 G HN 0.088 nan 8.290 nan 0.000 0.482 185 M N 0.075 119.155 119.600 -0.866 0.000 2.386 185 M HA 0.697 5.177 4.480 0.001 0.000 0.293 185 M C -1.567 174.589 176.300 -0.240 0.000 1.120 185 M CA -0.731 54.234 55.300 -0.558 0.000 0.909 185 M CB 1.939 34.003 32.600 -0.895 0.000 1.661 185 M HN 0.358 nan 8.290 nan 0.000 0.452 186 F N 4.193 124.263 119.950 0.200 0.000 2.389 186 F HA 0.528 5.055 4.527 0.001 0.000 0.337 186 F C -0.244 175.738 175.800 0.303 0.000 1.112 186 F CA 0.376 58.564 58.000 0.314 0.000 1.192 186 F CB 0.699 39.887 39.000 0.314 0.000 1.185 186 F HN 0.520 nan 8.300 nan 0.000 0.552 187 Y N -0.512 119.996 120.300 0.346 0.000 2.713 187 Y HA 0.551 5.102 4.550 0.001 0.000 0.335 187 Y C -1.959 174.090 175.900 0.250 0.000 1.222 187 Y CA -1.966 56.265 58.100 0.218 0.000 1.061 187 Y CB 0.769 39.296 38.460 0.112 0.000 1.314 187 Y HN 0.533 nan 8.280 nan 0.000 0.453 188 N N 0.691 119.471 118.700 0.134 0.000 2.370 188 N HA 0.867 5.608 4.740 0.001 0.000 0.303 188 N C -1.445 174.170 175.510 0.175 0.000 1.103 188 N CA -0.554 52.519 53.050 0.038 0.000 0.848 188 N CB 2.178 40.701 38.487 0.061 0.000 1.235 188 N HN 0.968 nan 8.380 nan 0.000 0.496 189 A N 0.863 123.774 122.820 0.152 0.000 2.572 189 A HA 0.607 4.928 4.320 0.001 0.000 0.295 189 A C -1.902 175.775 177.584 0.155 0.000 1.072 189 A CA -0.520 51.686 52.037 0.281 0.000 0.691 189 A CB 0.672 19.889 19.000 0.362 0.000 1.291 189 A HN 0.599 nan 8.150 nan 0.000 0.404 190 Y N 1.185 121.695 120.300 0.348 0.000 2.453 190 Y HA 0.554 5.105 4.550 0.001 0.000 0.326 190 Y C -1.760 174.302 175.900 0.270 0.000 1.186 190 Y CA -1.905 56.391 58.100 0.327 0.000 1.200 190 Y CB 1.296 39.993 38.460 0.395 0.000 1.247 190 Y HN 0.491 nan 8.280 nan 0.000 0.482 191 P HA 0.013 nan 4.420 nan 0.000 0.274 191 P C -1.040 176.380 177.300 0.201 0.000 1.237 191 P CA -0.438 62.810 63.100 0.246 0.000 0.793 191 P CB 0.781 32.597 31.700 0.193 0.000 0.977 192 Q N 1.109 120.977 119.800 0.114 0.000 2.349 192 Q HA -0.016 4.325 4.340 0.001 0.000 0.287 192 Q C 0.498 176.541 176.000 0.071 0.000 1.044 192 Q CA 0.939 56.780 55.803 0.062 0.000 0.918 192 Q CB 0.169 28.923 28.738 0.026 0.000 1.242 192 Q HN 0.546 nan 8.270 nan 0.000 0.405 193 Q N 0.569 120.399 119.800 0.050 0.000 2.421 193 Q HA 0.470 4.811 4.340 0.001 0.000 0.280 193 Q C -1.180 174.836 176.000 0.027 0.000 1.085 193 Q CA -0.984 54.855 55.803 0.059 0.000 0.807 193 Q CB 1.646 30.445 28.738 0.102 0.000 1.405 193 Q HN 0.284 nan 8.270 nan 0.000 0.419 194 D N 0.627 121.045 120.400 0.030 0.000 2.362 194 D HA 0.461 5.101 4.640 0.001 0.000 0.242 194 D C 0.785 177.096 176.300 0.018 0.000 1.132 194 D CA 1.709 55.719 54.000 0.017 0.000 0.907 194 D CB 0.999 41.811 40.800 0.019 0.000 1.195 194 D HN 0.930 nan 8.370 nan 0.000 0.429 195 G N 1.035 109.839 108.800 0.007 0.000 2.615 195 G HA2 -0.206 3.754 3.960 0.001 0.000 0.218 195 G HA3 -0.206 3.754 3.960 0.001 0.000 0.218 195 G C -0.495 174.399 174.900 -0.009 0.000 1.339 195 G CA -0.603 44.501 45.100 0.007 0.000 0.884 195 G HN 0.509 nan 8.290 nan 0.000 0.559 196 K N -0.531 119.867 120.400 -0.002 0.000 2.090 196 K HA 0.654 4.974 4.320 0.001 0.000 0.250 196 K C -0.039 176.542 176.600 -0.032 0.000 1.004 196 K CA 0.001 56.273 56.287 -0.024 0.000 0.919 196 K CB 1.194 33.692 32.500 -0.003 0.000 1.045 196 K HN 0.382 nan 8.250 nan 0.000 0.471 197 S N 1.477 117.094 115.700 -0.139 0.000 2.598 197 S HA 0.034 4.505 4.470 0.001 0.000 0.209 197 S C -0.798 173.536 174.600 -0.444 0.000 1.029 197 S CA -0.570 57.418 58.200 -0.352 0.000 1.172 197 S CB 0.002 62.734 63.200 -0.779 0.000 1.427 197 S HN 0.749 nan 8.310 nan 0.000 0.418 198 D N -0.151 120.238 120.400 -0.019 0.000 2.469 198 D HA 0.307 4.947 4.640 0.001 0.000 0.213 198 D C 1.282 177.798 176.300 0.361 0.000 1.135 198 D CA 0.536 54.605 54.000 0.114 0.000 0.834 198 D CB 0.114 40.976 40.800 0.103 0.000 1.009 198 D HN 0.492 nan 8.370 nan 0.000 0.507 199 G N 0.351 109.397 108.800 0.410 0.000 2.218 199 G HA2 -0.310 3.650 3.960 0.001 0.000 0.216 199 G HA3 -0.310 3.650 3.960 0.001 0.000 0.216 199 G C 1.179 176.151 174.900 0.119 0.000 0.994 199 G CA 0.608 45.910 45.100 0.335 0.000 0.637 199 G HN 0.559 nan 8.290 nan 0.000 0.505 200 T N -0.558 114.004 114.554 0.013 0.000 3.057 200 T HA 0.339 4.689 4.350 0.001 0.000 0.254 200 T C 1.032 175.720 174.700 -0.019 0.000 1.094 200 T CA 1.082 63.113 62.100 -0.115 0.000 1.088 200 T CB 0.174 68.917 68.868 -0.209 0.000 0.934 200 T HN 0.791 nan 8.240 nan 0.000 0.497 201 E N 2.447 122.680 120.200 0.055 0.000 2.371 201 E HA 0.127 4.477 4.350 0.001 0.000 0.257 201 E C 0.447 177.093 176.600 0.076 0.000 1.134 201 E CA 0.156 56.598 56.400 0.070 0.000 0.919 201 E CB 1.044 30.810 29.700 0.110 0.000 1.025 201 E HN 0.320 nan 8.360 nan 0.000 0.438 202 T N -2.331 112.270 114.554 0.079 0.000 3.044 202 T HA 0.142 4.492 4.350 0.001 0.000 0.260 202 T C 0.180 174.992 174.700 0.186 0.000 1.019 202 T CA -0.389 61.777 62.100 0.110 0.000 0.921 202 T CB -0.147 68.748 68.868 0.046 0.000 1.053 202 T HN 0.287 nan 8.240 nan 0.000 0.533 203 S N 3.042 118.829 115.700 0.145 0.000 2.626 203 S HA 0.152 4.622 4.470 0.001 0.000 0.303 203 S C 0.562 175.224 174.600 0.104 0.000 1.256 203 S CA -0.051 58.225 58.200 0.127 0.000 1.069 203 S CB 0.468 63.743 63.200 0.125 0.000 0.807 203 S HN 0.583 nan 8.310 nan 0.000 0.500 204 T N 3.283 117.886 114.554 0.082 0.000 2.928 204 T HA 0.053 4.403 4.350 0.001 0.000 0.305 204 T C 0.011 174.758 174.700 0.078 0.000 1.035 204 T CA -0.268 61.876 62.100 0.073 0.000 1.145 204 T CB -0.322 68.582 68.868 0.061 0.000 0.963 204 T HN 0.629 nan 8.240 nan 0.000 0.545 205 N N 4.683 123.419 118.700 0.060 0.000 2.439 205 N HA 0.543 5.284 4.740 0.001 0.000 0.249 205 N C -0.824 174.849 175.510 0.271 0.000 1.003 205 N CA -0.464 52.553 53.050 -0.055 0.000 0.942 205 N CB 0.915 39.142 38.487 -0.433 0.000 1.115 205 N HN 0.445 nan 8.380 nan 0.000 0.505 206 L N 0.944 122.376 121.223 0.349 0.000 2.341 206 L HA 0.471 4.811 4.340 0.001 0.000 0.254 206 L C 0.025 177.182 176.870 0.478 0.000 1.040 206 L CA -0.991 54.038 54.840 0.315 0.000 0.837 206 L CB 1.529 43.663 42.059 0.125 0.000 1.425 206 L HN 0.665 nan 8.230 nan 0.000 0.414 207 H N -0.071 119.143 119.070 0.239 0.000 2.770 207 H HA -0.171 4.385 4.556 0.001 0.000 0.309 207 H C 0.171 175.550 175.328 0.086 0.000 1.206 207 H CA 0.548 56.692 56.048 0.159 0.000 1.147 207 H CB -0.745 29.093 29.762 0.128 0.000 1.422 207 H HN 0.585 nan 8.280 nan 0.000 0.420 208 Q N 1.175 120.992 119.800 0.029 0.000 2.337 208 Q HA 0.215 4.556 4.340 0.001 0.000 0.270 208 Q C -0.088 175.835 176.000 -0.128 0.000 1.002 208 Q CA 0.407 55.967 55.803 -0.405 0.000 0.888 208 Q CB 0.743 29.154 28.738 -0.545 0.000 1.222 208 Q HN 0.367 nan 8.270 nan 0.000 0.400 209 K N 2.482 122.775 120.400 -0.177 0.000 2.352 209 K HA 0.488 4.808 4.320 0.001 0.000 0.240 209 K C -1.325 175.070 176.600 -0.342 0.000 1.017 209 K CA -1.009 55.107 56.287 -0.285 0.000 0.851 209 K CB 1.236 33.479 32.500 -0.429 0.000 1.261 209 K HN 0.419 nan 8.250 nan 0.000 0.451 210 L N 1.927 122.898 121.223 -0.419 0.000 2.287 210 L HA 0.414 4.755 4.340 0.001 0.000 0.287 210 L C -1.669 174.970 176.870 -0.385 0.000 1.022 210 L CA -0.059 54.630 54.840 -0.253 0.000 0.814 210 L CB 0.284 42.309 42.059 -0.057 0.000 1.217 210 L HN 0.448 nan 8.230 nan 0.000 0.420 211 Y N 3.815 124.012 120.300 -0.171 0.000 2.587 211 Y HA 0.486 5.037 4.550 0.001 0.000 0.337 211 Y C -1.169 174.788 175.900 0.096 0.000 1.065 211 Y CA -0.395 57.625 58.100 -0.133 0.000 1.126 211 Y CB 1.675 39.876 38.460 -0.432 0.000 1.279 211 Y HN 0.496 nan 8.280 nan 0.000 0.489 212 Y N 1.374 121.808 120.300 0.224 0.000 2.326 212 Y HA 0.377 4.928 4.550 0.001 0.000 0.331 212 Y C -1.165 174.829 175.900 0.157 0.000 0.962 212 Y CA -1.139 56.977 58.100 0.027 0.000 1.167 212 Y CB 0.527 38.867 38.460 -0.200 0.000 1.148 212 Y HN 0.706 nan 8.280 nan 0.000 0.463 213 H N 4.826 123.665 119.070 -0.386 0.000 2.519 213 H HA 0.570 5.126 4.556 0.001 0.000 0.316 213 H C -1.379 173.540 175.328 -0.682 0.000 1.065 213 H CA -0.539 55.291 56.048 -0.363 0.000 1.264 213 H CB 0.948 30.551 29.762 -0.264 0.000 1.413 213 H HN 0.500 nan 8.280 nan 0.000 0.465 214 V N 7.179 126.530 119.914 -0.939 0.000 2.432 214 V HA 0.024 4.144 4.120 0.001 0.000 0.271 214 V C 0.231 175.744 176.094 -0.968 0.000 1.046 214 V CA -0.689 61.167 62.300 -0.739 0.000 0.945 214 V CB 0.574 32.190 31.823 -0.346 0.000 0.992 214 V HN 0.674 nan 8.190 nan 0.000 0.471 215 L N 5.459 126.270 121.223 -0.687 0.000 2.540 215 L HA 0.491 4.831 4.340 0.001 0.000 0.276 215 L C 1.151 177.796 176.870 -0.376 0.000 1.212 215 L CA 1.915 56.419 54.840 -0.560 0.000 0.893 215 L CB 0.319 42.175 42.059 -0.337 0.000 1.138 215 L HN 0.969 nan 8.230 nan 0.000 0.491 216 G N 1.612 110.235 108.800 -0.296 0.000 2.144 216 G HA2 -0.210 3.751 3.960 0.001 0.000 0.218 216 G HA3 -0.210 3.751 3.960 0.001 0.000 0.218 216 G C 0.190 175.002 174.900 -0.146 0.000 0.988 216 G CA 0.252 45.252 45.100 -0.166 0.000 0.659 216 G HN 1.058 nan 8.290 nan 0.000 0.522 217 T N -2.419 112.017 114.554 -0.196 0.000 2.888 217 T HA 0.669 5.019 4.350 0.001 0.000 0.288 217 T C -0.772 173.940 174.700 0.019 0.000 1.063 217 T CA -0.202 61.830 62.100 -0.113 0.000 1.010 217 T CB 2.643 71.408 68.868 -0.172 0.000 1.214 217 T HN -0.022 nan 8.240 nan 0.000 0.533 218 D N 0.262 120.673 120.400 0.017 0.000 2.264 218 D HA 0.246 4.887 4.640 0.001 0.000 0.249 218 D C 1.243 177.579 176.300 0.060 0.000 1.070 218 D CA -0.363 53.655 54.000 0.031 0.000 0.912 218 D CB 1.458 42.255 40.800 -0.004 0.000 1.193 218 D HN 0.719 nan 8.370 nan 0.000 0.427 219 Q N 1.031 120.832 119.800 0.002 0.000 2.234 219 Q HA -0.198 4.142 4.340 0.001 0.000 0.206 219 Q C 1.420 177.413 176.000 -0.011 0.000 0.980 219 Q CA 1.508 57.298 55.803 -0.022 0.000 0.869 219 Q CB 0.064 28.726 28.738 -0.127 0.000 0.912 219 Q HN 0.573 nan 8.270 nan 0.000 0.436 220 S N -0.554 115.136 115.700 -0.017 0.000 2.469 220 S HA -0.134 4.336 4.470 0.001 0.000 0.238 220 S C 1.213 175.817 174.600 0.007 0.000 0.998 220 S CA 1.149 59.340 58.200 -0.016 0.000 0.957 220 S CB -0.058 63.133 63.200 -0.015 0.000 0.764 220 S HN 0.464 nan 8.310 nan 0.000 0.514 221 E N 0.970 121.183 120.200 0.022 0.000 2.474 221 E HA 0.085 4.435 4.350 0.001 0.000 0.194 221 E C -0.565 176.073 176.600 0.063 0.000 1.041 221 E CA -0.149 56.269 56.400 0.030 0.000 0.874 221 E CB 0.010 29.714 29.700 0.006 0.000 0.914 221 E HN 0.520 nan 8.360 nan 0.000 0.498 222 D N 1.115 121.571 120.400 0.093 0.000 2.506 222 D HA -0.042 4.598 4.640 0.001 0.000 0.234 222 D C 0.053 176.489 176.300 0.226 0.000 1.143 222 D CA 0.521 54.623 54.000 0.170 0.000 0.871 222 D CB 0.627 41.551 40.800 0.205 0.000 1.190 222 D HN -0.052 nan 8.370 nan 0.000 0.459 223 I N 2.220 122.958 120.570 0.280 0.000 2.395 223 I HA 0.089 4.260 4.170 0.001 0.000 0.289 223 I C 0.345 176.662 176.117 0.333 0.000 1.023 223 I CA -0.787 60.672 61.300 0.265 0.000 1.350 223 I CB 0.570 38.703 38.000 0.221 0.000 1.409 223 I HN 0.224 nan 8.210 nan 0.000 0.507 224 L N 7.108 128.472 121.223 0.235 0.000 2.278 224 L HA 0.264 4.605 4.340 0.001 0.000 0.287 224 L C 0.424 177.317 176.870 0.037 0.000 1.072 224 L CA 0.395 55.260 54.840 0.041 0.000 0.819 224 L CB 0.815 42.881 42.059 0.011 0.000 1.176 224 L HN 0.733 nan 8.230 nan 0.000 0.435 225 C N 3.820 123.153 119.300 0.055 0.000 2.791 225 C HA 0.747 5.207 4.460 0.001 0.000 0.288 225 C C 0.884 176.052 174.990 0.297 0.000 1.271 225 C CA 0.109 59.248 59.018 0.203 0.000 1.726 225 C CB -0.947 27.027 27.740 0.391 0.000 2.145 225 C HN 0.908 nan 8.230 nan 0.000 0.572 226 A N 1.131 123.980 122.820 0.049 0.000 2.555 226 A HA 0.661 4.981 4.320 0.001 0.000 0.297 226 A C -1.145 176.112 177.584 -0.544 0.000 1.060 226 A CA -0.387 51.581 52.037 -0.114 0.000 0.710 226 A CB 0.948 19.891 19.000 -0.096 0.000 1.282 226 A HN 0.498 nan 8.150 nan 0.000 0.399 227 E N 0.299 120.026 120.200 -0.788 0.000 2.392 227 E HA 0.736 5.087 4.350 0.001 0.000 0.279 227 E C -1.820 174.173 176.600 -1.011 0.000 0.964 227 E CA -0.872 55.008 56.400 -0.865 0.000 0.777 227 E CB 1.451 30.936 29.700 -0.358 0.000 1.249 227 E HN 0.453 nan 8.360 nan 0.000 0.449 228 F N 1.084 121.035 119.950 0.002 0.000 2.622 228 F HA 0.343 4.870 4.527 0.001 0.000 0.338 228 F C -1.922 173.817 175.800 -0.102 0.000 1.334 228 F CA -2.054 55.895 58.000 -0.086 0.000 1.179 228 F CB 1.360 40.270 39.000 -0.151 0.000 1.471 228 F HN 0.349 nan 8.300 nan 0.000 0.576 229 P HA -0.157 nan 4.420 nan 0.000 0.219 229 P C 0.569 177.919 177.300 0.083 0.000 1.146 229 P CA 1.453 64.638 63.100 0.142 0.000 0.808 229 P CB 0.504 32.240 31.700 0.061 0.000 0.779 230 D N -0.442 119.932 120.400 -0.044 0.000 2.349 230 D HA 0.009 4.650 4.640 0.001 0.000 0.215 230 D C 0.441 176.594 176.300 -0.244 0.000 1.016 230 D CA 0.782 54.717 54.000 -0.107 0.000 0.870 230 D CB 0.238 40.974 40.800 -0.107 0.000 0.917 230 D HN 0.230 nan 8.370 nan 0.000 0.524 231 E N 0.364 120.329 120.200 -0.392 0.000 3.374 231 E HA 0.168 4.519 4.350 0.001 0.000 0.223 231 E C -1.983 174.337 176.600 -0.467 0.000 1.210 231 E CA -1.573 54.438 56.400 -0.647 0.000 0.987 231 E CB 1.769 30.449 29.700 -1.701 0.000 1.322 231 E HN -0.025 nan 8.360 nan 0.000 0.404 232 P HA -0.178 nan 4.420 nan 0.000 0.218 232 P C 0.943 178.053 177.300 -0.318 0.000 1.146 232 P CA 1.370 64.101 63.100 -0.614 0.000 0.820 232 P CB 0.345 31.703 31.700 -0.570 0.000 0.778 233 K N -3.245 117.039 120.400 -0.193 0.000 2.379 233 K HA -0.004 4.317 4.320 0.001 0.000 0.194 233 K C 0.245 176.963 176.600 0.197 0.000 1.031 233 K CA -0.058 56.188 56.287 -0.068 0.000 1.037 233 K CB 0.003 32.432 32.500 -0.119 0.000 0.824 233 K HN 0.148 nan 8.250 nan 0.000 0.516 234 W N 1.635 122.875 121.300 -0.101 0.000 2.158 234 W HA 0.208 4.868 4.660 0.001 0.000 0.339 234 W C 0.172 176.635 176.519 -0.094 0.000 1.294 234 W CA -0.286 56.950 57.345 -0.183 0.000 1.231 234 W CB 0.044 29.235 29.460 -0.449 0.000 1.143 234 W HN -0.104 nan 8.180 nan 0.000 0.571 235 M N 2.737 122.370 119.600 0.054 0.000 2.165 235 M HA 0.387 4.868 4.480 0.001 0.000 0.283 235 M C 0.230 176.510 176.300 -0.034 0.000 0.978 235 M CA -0.424 54.921 55.300 0.074 0.000 0.948 235 M CB 2.040 34.681 32.600 0.068 0.000 1.599 235 M HN 0.503 nan 8.290 nan 0.000 0.450 236 G N 1.669 110.520 108.800 0.086 0.000 2.415 236 G HA2 0.648 4.608 3.960 0.001 0.000 0.317 236 G HA3 0.648 4.608 3.960 0.001 0.000 0.317 236 G C -0.293 174.595 174.900 -0.020 0.000 1.152 236 G CA -0.522 44.562 45.100 -0.027 0.000 0.956 236 G HN 0.826 nan 8.290 nan 0.000 0.458 237 G N 0.454 109.224 108.800 -0.050 0.000 2.348 237 G HA2 0.706 4.666 3.960 0.001 0.000 0.312 237 G HA3 0.706 4.666 3.960 0.001 0.000 0.312 237 G C -0.129 174.759 174.900 -0.020 0.000 1.126 237 G CA -0.002 45.099 45.100 0.001 0.000 0.865 237 G HN 0.985 nan 8.290 nan 0.000 0.474 238 A N 1.937 124.760 122.820 0.005 0.000 2.320 238 A HA 0.905 5.226 4.320 0.001 0.000 0.334 238 A C -0.095 177.528 177.584 0.064 0.000 1.147 238 A CA -0.699 51.315 52.037 -0.040 0.000 0.820 238 A CB 1.220 20.054 19.000 -0.278 0.000 1.218 238 A HN 0.913 nan 8.150 nan 0.000 0.482 239 E N 1.375 121.620 120.200 0.076 0.000 2.392 239 E HA 0.537 4.887 4.350 0.001 0.000 0.279 239 E C -1.833 174.853 176.600 0.143 0.000 0.964 239 E CA -0.912 55.581 56.400 0.155 0.000 0.777 239 E CB 1.052 30.844 29.700 0.153 0.000 1.249 239 E HN 0.357 nan 8.360 nan 0.000 0.449 240 L N 2.392 123.743 121.223 0.214 0.000 2.325 240 L HA 0.344 4.685 4.340 0.001 0.000 0.279 240 L C 0.660 177.581 176.870 0.086 0.000 1.054 240 L CA -0.386 54.557 54.840 0.171 0.000 0.804 240 L CB 1.472 43.666 42.059 0.225 0.000 1.200 240 L HN 0.894 nan 8.230 nan 0.000 0.436 241 S N 0.944 116.661 115.700 0.028 0.000 2.580 241 S HA 0.045 4.516 4.470 0.001 0.000 0.266 241 S C 0.742 175.441 174.600 0.165 0.000 1.354 241 S CA -0.603 57.593 58.200 -0.006 0.000 1.008 241 S CB 0.775 64.083 63.200 0.181 0.000 0.898 241 S HN 0.550 nan 8.310 nan 0.000 0.555 242 D N 1.259 121.838 120.400 0.298 0.000 2.182 242 D HA -0.106 4.534 4.640 0.001 0.000 0.201 242 D C 1.268 177.730 176.300 0.270 0.000 0.986 242 D CA 1.679 55.856 54.000 0.296 0.000 0.847 242 D CB -0.457 40.471 40.800 0.214 0.000 0.942 242 D HN 0.875 nan 8.370 nan 0.000 0.467 243 D N -1.222 119.274 120.400 0.160 0.000 2.340 243 D HA 0.115 4.756 4.640 0.001 0.000 0.220 243 D C 1.566 177.892 176.300 0.043 0.000 1.039 243 D CA 0.730 54.809 54.000 0.131 0.000 0.866 243 D CB -0.285 40.573 40.800 0.096 0.000 0.913 243 D HN 0.170 nan 8.370 nan 0.000 0.523 244 G N 1.104 109.778 108.800 -0.210 0.000 2.175 244 G HA2 -0.456 3.504 3.960 0.001 0.000 0.265 244 G HA3 -0.456 3.504 3.960 0.001 0.000 0.265 244 G C 1.129 175.925 174.900 -0.174 0.000 0.979 244 G CA 0.539 45.271 45.100 -0.613 0.000 0.663 244 G HN 0.526 nan 8.290 nan 0.000 0.533 245 R N -1.013 119.464 120.500 -0.039 0.000 2.119 245 R HA 0.213 4.553 4.340 0.001 0.000 0.222 245 R C 0.163 176.339 176.300 -0.207 0.000 1.088 245 R CA 0.798 56.819 56.100 -0.132 0.000 0.984 245 R CB 0.038 30.218 30.300 -0.199 0.000 0.884 245 R HN 0.430 nan 8.270 nan 0.000 0.447 246 Y N -0.652 119.717 120.300 0.115 0.000 2.446 246 Y HA 0.369 4.920 4.550 0.001 0.000 0.345 246 Y C -0.493 175.490 175.900 0.138 0.000 0.984 246 Y CA -1.146 57.056 58.100 0.169 0.000 1.058 246 Y CB 2.151 40.772 38.460 0.269 0.000 1.220 246 Y HN -0.344 nan 8.280 nan 0.000 0.455 247 V N 5.022 125.120 119.914 0.307 0.000 2.383 247 V HA 0.314 4.435 4.120 0.001 0.000 0.275 247 V C -0.248 176.055 176.094 0.348 0.000 1.036 247 V CA -0.721 61.713 62.300 0.223 0.000 0.889 247 V CB 0.765 32.633 31.823 0.076 0.000 0.985 247 V HN 0.548 nan 8.190 nan 0.000 0.459 248 L N 5.972 127.334 121.223 0.233 0.000 2.287 248 L HA 0.534 4.874 4.340 0.001 0.000 0.287 248 L C -0.570 176.381 176.870 0.135 0.000 1.022 248 L CA -0.565 54.413 54.840 0.230 0.000 0.814 248 L CB 1.508 43.647 42.059 0.133 0.000 1.217 248 L HN 0.448 nan 8.230 nan 0.000 0.420 249 L N 2.976 124.239 121.223 0.067 0.000 2.287 249 L HA 0.433 4.774 4.340 0.001 0.000 0.287 249 L C -0.202 176.529 176.870 -0.232 0.000 1.022 249 L CA 0.369 55.090 54.840 -0.198 0.000 0.814 249 L CB 1.589 43.255 42.059 -0.656 0.000 1.217 249 L HN 0.480 nan 8.230 nan 0.000 0.420 250 S N 6.431 122.024 115.700 -0.179 0.000 2.448 250 S HA 0.598 5.068 4.470 0.001 0.000 0.320 250 S C -0.224 174.214 174.600 -0.270 0.000 1.071 250 S CA -0.369 57.731 58.200 -0.167 0.000 1.113 250 S CB 0.356 63.539 63.200 -0.029 0.000 0.972 250 S HN 0.472 nan 8.310 nan 0.000 0.465 251 I N 4.018 124.331 120.570 -0.427 0.000 2.336 251 I HA 0.467 4.638 4.170 0.001 0.000 0.292 251 I C 0.375 176.319 176.117 -0.289 0.000 0.991 251 I CA -0.510 60.482 61.300 -0.514 0.000 1.227 251 I CB 1.044 38.453 38.000 -0.985 0.000 1.366 251 I HN 0.327 nan 8.210 nan 0.000 0.466 252 R N 4.563 124.899 120.500 -0.272 0.000 2.803 252 R HA 0.583 4.923 4.340 0.001 0.000 0.276 252 R C -0.889 175.161 176.300 -0.417 0.000 0.978 252 R CA -0.914 55.016 56.100 -0.283 0.000 0.939 252 R CB 2.667 32.863 30.300 -0.174 0.000 1.179 252 R HN 0.560 nan 8.270 nan 0.000 0.472 253 E N 1.189 120.998 120.200 -0.651 0.000 2.343 253 E HA 0.389 4.739 4.350 0.001 0.000 0.260 253 E C -0.626 175.769 176.600 -0.341 0.000 0.908 253 E CA -0.216 55.897 56.400 -0.477 0.000 0.814 253 E CB 1.218 30.512 29.700 -0.676 0.000 1.302 253 E HN 0.846 nan 8.360 nan 0.000 0.408 254 G N 1.677 110.405 108.800 -0.120 0.000 2.582 254 G HA2 -0.232 3.729 3.960 0.001 0.000 0.222 254 G HA3 -0.232 3.729 3.960 0.001 0.000 0.222 254 G C 0.265 175.148 174.900 -0.029 0.000 1.311 254 G CA -0.316 44.761 45.100 -0.038 0.000 0.915 254 G HN 0.586 nan 8.290 nan 0.000 0.528 255 C N 0.698 120.039 119.300 0.068 0.000 2.974 255 C HA 0.375 4.836 4.460 0.001 0.000 0.282 255 C C 0.623 175.665 174.990 0.088 0.000 1.292 255 C CA -0.526 58.559 59.018 0.112 0.000 1.710 255 C CB -1.116 26.816 27.740 0.320 0.000 2.036 255 C HN 0.612 nan 8.230 nan 0.000 0.629 256 D N 3.102 123.527 120.400 0.043 0.000 2.399 256 D HA 0.119 4.759 4.640 0.001 0.000 0.241 256 D C -1.984 174.330 176.300 0.024 0.000 1.133 256 D CA -0.974 53.064 54.000 0.064 0.000 0.890 256 D CB 0.636 41.459 40.800 0.039 0.000 1.201 256 D HN 0.166 nan 8.370 nan 0.000 0.432 257 P HA 0.047 nan 4.420 nan 0.000 0.237 257 P C -0.637 176.684 177.300 0.034 0.000 1.788 257 P CA -0.139 62.994 63.100 0.055 0.000 1.061 257 P CB -0.127 31.650 31.700 0.127 0.000 1.967 258 V N -0.020 119.901 119.914 0.012 0.000 3.114 258 V HA 0.796 4.916 4.120 0.001 0.000 0.308 258 V C -1.160 174.969 176.094 0.059 0.000 1.168 258 V CA -1.056 61.261 62.300 0.027 0.000 1.015 258 V CB 2.927 34.782 31.823 0.053 0.000 1.050 258 V HN 0.504 nan 8.190 nan 0.000 0.433 259 N N 0.725 119.501 118.700 0.127 0.000 2.815 259 N HA 0.346 5.086 4.740 0.001 0.000 0.253 259 N C -1.339 174.196 175.510 0.041 0.000 1.202 259 N CA -0.880 52.235 53.050 0.109 0.000 0.925 259 N CB 2.122 40.623 38.487 0.024 0.000 1.622 259 N HN 0.827 nan 8.380 nan 0.000 0.497 260 R N 0.263 120.644 120.500 -0.199 0.000 2.615 260 R HA 0.411 4.751 4.340 0.001 0.000 0.270 260 R C -0.583 175.537 176.300 -0.300 0.000 1.081 260 R CA -0.617 55.252 56.100 -0.385 0.000 1.154 260 R CB 0.662 30.498 30.300 -0.773 0.000 1.063 260 R HN 0.475 nan 8.270 nan 0.000 0.519 261 L N 3.279 124.385 121.223 -0.194 0.000 2.446 261 L HA 0.384 4.725 4.340 0.001 0.000 0.268 261 L C -1.816 175.125 176.870 0.119 0.000 0.975 261 L CA -0.349 54.426 54.840 -0.108 0.000 0.848 261 L CB 1.177 43.138 42.059 -0.163 0.000 1.225 261 L HN 0.644 nan 8.230 nan 0.000 0.410 262 W N 4.856 126.058 121.300 -0.164 0.000 2.647 262 W HA 0.612 5.272 4.660 0.001 0.000 0.353 262 W C -0.266 176.302 176.519 0.081 0.000 1.080 262 W CA -0.942 56.321 57.345 -0.136 0.000 1.208 262 W CB 1.048 30.368 29.460 -0.233 0.000 1.396 262 W HN 0.484 nan 8.180 nan 0.000 0.573 263 Y N -0.796 119.690 120.300 0.309 0.000 2.581 263 Y HA 0.705 5.255 4.550 0.001 0.000 0.345 263 Y C -1.051 175.064 175.900 0.357 0.000 1.036 263 Y CA -2.084 56.200 58.100 0.306 0.000 1.042 263 Y CB 1.475 39.918 38.460 -0.028 0.000 1.289 263 Y HN 0.481 nan 8.280 nan 0.000 0.471 264 C N 3.273 122.869 119.300 0.492 0.000 2.432 264 C HA 0.414 4.874 4.460 0.001 0.000 0.334 264 C C -0.999 174.138 174.990 0.245 0.000 1.155 264 C CA -0.585 58.497 59.018 0.107 0.000 1.335 264 C CB -0.072 27.408 27.740 -0.433 0.000 1.964 264 C HN 0.911 nan 8.230 nan 0.000 0.444 265 D N 4.647 125.177 120.400 0.216 0.000 2.352 265 D HA 0.142 4.782 4.640 0.001 0.000 0.245 265 D C 1.169 177.404 176.300 -0.108 0.000 1.224 265 D CA 0.005 53.969 54.000 -0.059 0.000 0.879 265 D CB 0.662 41.451 40.800 -0.020 0.000 1.057 265 D HN 0.713 nan 8.370 nan 0.000 0.491 266 L N 3.058 124.204 121.223 -0.128 0.000 2.187 266 L HA -0.217 4.124 4.340 0.001 0.000 0.213 266 L C 2.330 179.146 176.870 -0.091 0.000 1.100 266 L CA 0.980 55.763 54.840 -0.095 0.000 0.765 266 L CB -0.231 41.796 42.059 -0.053 0.000 0.904 266 L HN 0.486 nan 8.230 nan 0.000 0.437 267 Q N -0.515 119.223 119.800 -0.104 0.000 2.224 267 Q HA -0.180 4.160 4.340 0.001 0.000 0.203 267 Q C 1.767 177.734 176.000 -0.056 0.000 0.970 267 Q CA 0.843 56.603 55.803 -0.071 0.000 0.865 267 Q CB -0.049 28.645 28.738 -0.072 0.000 0.922 267 Q HN 0.553 nan 8.270 nan 0.000 0.445 268 Q N 0.402 120.166 119.800 -0.061 0.000 2.403 268 Q HA 0.041 4.381 4.340 0.001 0.000 0.203 268 Q C -0.068 175.893 176.000 -0.064 0.000 0.932 268 Q CA 0.369 56.144 55.803 -0.047 0.000 0.945 268 Q CB 0.414 29.136 28.738 -0.028 0.000 1.045 268 Q HN 0.294 nan 8.270 nan 0.000 0.511 269 E N 0.414 120.566 120.200 -0.080 0.000 2.360 269 E HA 0.055 4.405 4.350 0.001 0.000 0.269 269 E C 0.842 177.403 176.600 -0.065 0.000 1.022 269 E CA 0.021 56.367 56.400 -0.090 0.000 0.887 269 E CB 1.198 30.833 29.700 -0.108 0.000 0.990 269 E HN -0.016 nan 8.360 nan 0.000 0.426 270 S N 2.539 118.203 115.700 -0.061 0.000 2.383 270 S HA -0.212 4.259 4.470 0.001 0.000 0.229 270 S C 1.083 175.661 174.600 -0.037 0.000 1.030 270 S CA 1.593 59.767 58.200 -0.044 0.000 1.002 270 S CB -0.028 63.148 63.200 -0.041 0.000 0.829 270 S HN 0.504 nan 8.310 nan 0.000 0.467 271 N N -0.382 118.293 118.700 -0.043 0.000 2.605 271 N HA 0.347 5.087 4.740 0.001 0.000 0.265 271 N C -0.131 175.354 175.510 -0.043 0.000 1.625 271 N CA 0.717 53.746 53.050 -0.035 0.000 0.862 271 N CB 0.165 38.637 38.487 -0.026 0.000 1.415 271 N HN 0.347 nan 8.380 nan 0.000 0.513 272 G N 0.706 109.472 108.800 -0.056 0.000 2.693 272 G HA2 -0.245 3.715 3.960 0.001 0.000 0.226 272 G HA3 -0.245 3.715 3.960 0.001 0.000 0.226 272 G C -0.376 174.459 174.900 -0.107 0.000 1.354 272 G CA -0.324 44.731 45.100 -0.075 0.000 0.873 272 G HN 0.295 nan 8.290 nan 0.000 0.562 273 I N 2.023 122.495 120.570 -0.164 0.000 2.329 273 I HA 0.308 4.478 4.170 0.001 0.000 0.295 273 I C 1.664 177.718 176.117 -0.105 0.000 1.109 273 I CA 0.814 61.988 61.300 -0.211 0.000 1.297 273 I CB 0.708 38.393 38.000 -0.524 0.000 1.433 273 I HN 0.801 nan 8.210 nan 0.000 0.509 274 T N 0.616 115.133 114.554 -0.062 0.000 3.004 274 T HA 0.517 4.867 4.350 0.001 0.000 0.266 274 T C 0.521 175.224 174.700 0.005 0.000 0.986 274 T CA 0.125 62.215 62.100 -0.017 0.000 0.902 274 T CB 0.779 69.635 68.868 -0.020 0.000 1.118 274 T HN 0.680 nan 8.240 nan 0.000 0.522 275 G N 1.370 110.169 108.800 -0.002 0.000 2.393 275 G HA2 0.415 4.376 3.960 0.001 0.000 0.264 275 G HA3 0.415 4.376 3.960 0.001 0.000 0.264 275 G C -1.673 173.233 174.900 0.010 0.000 1.221 275 G CA -0.908 44.203 45.100 0.018 0.000 0.912 275 G HN 0.190 nan 8.290 nan 0.000 0.483 276 I N 2.398 122.980 120.570 0.019 0.000 2.752 276 I HA 0.118 4.289 4.170 0.001 0.000 0.286 276 I C 1.071 177.144 176.117 -0.074 0.000 1.180 276 I CA 0.267 61.595 61.300 0.046 0.000 1.404 276 I CB -0.621 37.425 38.000 0.075 0.000 1.389 276 I HN 0.257 nan 8.210 nan 0.000 0.549 277 L N 7.044 128.121 121.223 -0.242 0.000 2.476 277 L HA 0.125 4.465 4.340 0.001 0.000 0.264 277 L C 1.102 177.604 176.870 -0.613 0.000 1.224 277 L CA -0.434 54.058 54.840 -0.579 0.000 0.821 277 L CB 0.050 41.470 42.059 -1.064 0.000 1.101 277 L HN 0.473 nan 8.230 nan 0.000 0.488 278 K N 1.847 121.962 120.400 -0.475 0.000 2.480 278 K HA 0.074 4.395 4.320 0.001 0.000 0.241 278 K C -1.017 175.398 176.600 -0.309 0.000 1.261 278 K CA -0.074 56.033 56.287 -0.300 0.000 1.193 278 K CB -0.263 32.117 32.500 -0.200 0.000 1.598 278 K HN 0.301 nan 8.250 nan 0.000 0.278 279 W N 1.255 122.476 121.300 -0.132 0.000 2.264 279 W HA 0.024 4.685 4.660 0.001 0.000 0.331 279 W C 0.271 176.530 176.519 -0.434 0.000 1.364 279 W CA -0.771 56.449 57.345 -0.209 0.000 1.253 279 W CB 0.411 29.812 29.460 -0.097 0.000 1.215 279 W HN -0.001 nan 8.180 nan 0.000 0.561 280 V N 4.905 124.601 119.914 -0.364 0.000 2.347 280 V HA 0.144 4.265 4.120 0.001 0.000 0.280 280 V C 0.258 175.965 176.094 -0.645 0.000 1.021 280 V CA -1.371 60.544 62.300 -0.642 0.000 0.847 280 V CB 1.046 32.207 31.823 -1.103 0.000 0.990 280 V HN 0.411 nan 8.190 nan 0.000 0.444 281 K N 4.788 124.815 120.400 -0.621 0.000 2.278 281 K HA 0.131 4.451 4.320 0.001 0.000 0.237 281 K C 1.022 177.455 176.600 -0.277 0.000 1.229 281 K CA -0.256 55.640 56.287 -0.651 0.000 1.155 281 K CB 0.294 32.266 32.500 -0.880 0.000 1.590 281 K HN 0.522 nan 8.250 nan 0.000 0.290 282 L N 1.569 122.673 121.223 -0.198 0.000 1.963 282 L HA -0.169 4.171 4.340 0.001 0.000 0.220 282 L C 0.537 177.352 176.870 -0.092 0.000 1.076 282 L CA 1.890 56.659 54.840 -0.119 0.000 0.772 282 L CB 0.140 42.128 42.059 -0.118 0.000 0.892 282 L HN 0.387 nan 8.230 nan 0.000 0.435 283 I N 0.443 120.951 120.570 -0.104 0.000 2.390 283 I HA 0.215 4.386 4.170 0.001 0.000 0.283 283 I C -0.686 175.405 176.117 -0.043 0.000 1.016 283 I CA -0.303 60.908 61.300 -0.148 0.000 1.151 283 I CB 0.707 38.455 38.000 -0.420 0.000 1.293 283 I HN 0.111 nan 8.210 nan 0.000 0.458 284 D N 5.643 126.022 120.400 -0.036 0.000 3.123 284 D HA 0.259 4.900 4.640 0.001 0.000 0.305 284 D C -0.399 175.813 176.300 -0.148 0.000 1.373 284 D CA -0.078 53.920 54.000 -0.004 0.000 0.889 284 D CB 0.234 41.045 40.800 0.018 0.000 1.070 284 D HN 0.708 nan 8.370 nan 0.000 0.494 285 N N -2.119 116.418 118.700 -0.272 0.000 3.046 285 N HA 0.257 4.998 4.740 0.001 0.000 0.243 285 N C -1.172 174.100 175.510 -0.397 0.000 1.452 285 N CA -0.769 52.083 53.050 -0.331 0.000 0.882 285 N CB 0.223 38.651 38.487 -0.098 0.000 1.425 285 N HN -0.211 nan 8.380 nan 0.000 0.517 286 F N -0.071 119.834 119.950 -0.075 0.000 2.837 286 F HA 0.410 4.937 4.527 0.001 0.000 0.298 286 F C 1.173 176.955 175.800 -0.030 0.000 1.161 286 F CA -0.475 57.471 58.000 -0.090 0.000 1.353 286 F CB 0.177 39.096 39.000 -0.133 0.000 0.951 286 F HN 0.483 nan 8.300 nan 0.000 0.508 287 E N 0.312 120.592 120.200 0.134 0.000 2.358 287 E HA 0.185 4.535 4.350 0.001 0.000 0.195 287 E C 1.310 177.932 176.600 0.038 0.000 1.010 287 E CA 0.385 56.835 56.400 0.083 0.000 0.856 287 E CB 0.237 29.977 29.700 0.067 0.000 0.795 287 E HN 0.388 nan 8.360 nan 0.000 0.504 288 G N 0.051 108.901 108.800 0.084 0.000 2.660 288 G HA2 0.352 4.312 3.960 0.001 0.000 0.290 288 G HA3 0.352 4.312 3.960 0.001 0.000 0.290 288 G C -1.535 173.236 174.900 -0.215 0.000 1.432 288 G CA -0.718 44.319 45.100 -0.104 0.000 0.807 288 G HN -0.048 nan 8.290 nan 0.000 0.485 289 E N -0.757 119.202 120.200 -0.401 0.000 2.231 289 E HA 0.595 4.945 4.350 0.001 0.000 0.277 289 E C -1.473 174.706 176.600 -0.702 0.000 0.999 289 E CA -0.690 55.532 56.400 -0.297 0.000 0.827 289 E CB 1.160 30.832 29.700 -0.047 0.000 1.101 289 E HN 0.389 nan 8.360 nan 0.000 0.393 290 Y N 2.301 122.602 120.300 0.002 0.000 2.373 290 Y HA 0.200 4.750 4.550 0.001 0.000 0.327 290 Y C -0.701 175.314 175.900 0.192 0.000 1.036 290 Y CA -1.030 57.040 58.100 -0.049 0.000 1.265 290 Y CB 1.406 39.589 38.460 -0.461 0.000 1.108 290 Y HN 0.388 nan 8.280 nan 0.000 0.471 291 D N 2.801 123.436 120.400 0.392 0.000 2.427 291 D HA 0.065 4.705 4.640 0.001 0.000 0.226 291 D C -0.771 175.821 176.300 0.487 0.000 1.076 291 D CA -0.568 53.659 54.000 0.377 0.000 0.849 291 D CB 0.473 41.395 40.800 0.204 0.000 1.052 291 D HN 0.464 nan 8.370 nan 0.000 0.515 292 Y N 3.661 124.191 120.300 0.384 0.000 2.717 292 Y HA 0.017 4.567 4.550 0.001 0.000 0.330 292 Y C 0.485 176.396 175.900 0.019 0.000 1.217 292 Y CA 0.426 58.589 58.100 0.105 0.000 1.506 292 Y CB 0.697 39.249 38.460 0.153 0.000 1.268 292 Y HN 0.226 nan 8.280 nan 0.000 0.561 293 V N 3.786 123.245 119.914 -0.759 0.000 2.743 293 V HA 0.186 4.306 4.120 0.001 0.000 0.237 293 V C 0.557 176.051 176.094 -1.001 0.000 1.113 293 V CA 1.193 63.120 62.300 -0.620 0.000 1.141 293 V CB 0.417 32.041 31.823 -0.333 0.000 0.873 293 V HN 0.860 nan 8.190 nan 0.000 0.486 294 T N 0.176 113.970 114.554 -1.266 0.000 2.663 294 T HA 0.354 4.704 4.350 0.001 0.000 0.305 294 T C -2.347 171.915 174.700 -0.730 0.000 1.660 294 T CA -0.418 61.138 62.100 -0.908 0.000 0.976 294 T CB 1.590 70.221 68.868 -0.395 0.000 1.705 294 T HN 0.528 nan 8.240 nan 0.000 0.494 295 N N 1.119 119.500 118.700 -0.532 0.000 2.396 295 N HA 0.420 5.160 4.740 0.001 0.000 0.275 295 N C -1.884 173.360 175.510 -0.444 0.000 1.218 295 N CA -0.710 51.872 53.050 -0.780 0.000 0.812 295 N CB 2.135 39.531 38.487 -1.818 0.000 1.592 295 N HN 0.488 nan 8.380 nan 0.000 0.480 296 E N 0.651 120.625 120.200 -0.378 0.000 2.267 296 E HA 0.419 4.769 4.350 0.001 0.000 0.248 296 E C 0.765 177.265 176.600 -0.166 0.000 0.899 296 E CA -0.116 56.166 56.400 -0.198 0.000 0.764 296 E CB 0.963 30.581 29.700 -0.137 0.000 1.227 296 E HN 0.980 nan 8.360 nan 0.000 0.421 297 G N 3.149 111.888 108.800 -0.102 0.000 2.583 297 G HA2 -0.413 3.547 3.960 0.001 0.000 0.292 297 G HA3 -0.413 3.547 3.960 0.001 0.000 0.292 297 G C 0.950 175.837 174.900 -0.022 0.000 1.203 297 G CA 0.725 45.821 45.100 -0.008 0.000 0.987 297 G HN 0.541 nan 8.290 nan 0.000 0.554 298 T N -1.473 113.089 114.554 0.013 0.000 3.129 298 T HA 0.429 4.779 4.350 0.001 0.000 0.251 298 T C 0.871 175.499 174.700 -0.119 0.000 1.117 298 T CA 0.990 63.076 62.100 -0.025 0.000 1.034 298 T CB 0.233 69.154 68.868 0.088 0.000 0.968 298 T HN 0.992 nan 8.240 nan 0.000 0.526 299 V N 2.826 122.662 119.914 -0.131 0.000 2.353 299 V HA 0.392 4.512 4.120 0.001 0.000 0.264 299 V C -0.661 175.271 176.094 -0.270 0.000 1.049 299 V CA -0.824 61.406 62.300 -0.117 0.000 0.896 299 V CB -0.598 31.179 31.823 -0.077 0.000 1.025 299 V HN 0.337 nan 8.190 nan 0.000 0.475 300 F N 2.619 122.320 119.950 -0.416 0.000 2.415 300 F HA 0.436 4.964 4.527 0.001 0.000 0.348 300 F C 0.964 176.522 175.800 -0.404 0.000 1.119 300 F CA -0.401 57.315 58.000 -0.474 0.000 1.069 300 F CB 1.642 40.277 39.000 -0.608 0.000 1.124 300 F HN 0.313 nan 8.300 nan 0.000 0.472 301 T N 5.013 119.321 114.554 -0.411 0.000 2.771 301 T HA 0.518 4.869 4.350 0.001 0.000 0.291 301 T C -0.782 173.656 174.700 -0.437 0.000 0.954 301 T CA -0.156 61.767 62.100 -0.295 0.000 1.045 301 T CB 0.063 68.771 68.868 -0.267 0.000 0.917 301 T HN 0.162 nan 8.240 nan 0.000 0.484 302 F N 1.666 121.628 119.950 0.020 0.000 2.551 302 F HA 0.494 5.022 4.527 0.001 0.000 0.316 302 F C 0.363 176.187 175.800 0.039 0.000 1.089 302 F CA -1.264 56.779 58.000 0.073 0.000 0.915 302 F CB 1.929 41.028 39.000 0.164 0.000 1.186 302 F HN 0.296 nan 8.300 nan 0.000 0.456 303 K N 1.478 122.021 120.400 0.238 0.000 2.234 303 K HA 0.562 4.883 4.320 0.001 0.000 0.282 303 K C -0.681 176.017 176.600 0.162 0.000 1.039 303 K CA -0.017 56.358 56.287 0.147 0.000 0.928 303 K CB 1.223 33.773 32.500 0.083 0.000 1.039 303 K HN 0.768 nan 8.250 nan 0.000 0.470 304 T N 1.687 116.313 114.554 0.121 0.000 2.864 304 T HA 0.279 4.630 4.350 0.001 0.000 0.299 304 T C -0.593 174.054 174.700 -0.088 0.000 1.166 304 T CA -0.825 61.241 62.100 -0.057 0.000 1.007 304 T CB 0.833 69.597 68.868 -0.173 0.000 1.219 304 T HN 0.796 nan 8.240 nan 0.000 0.506 305 N N 1.018 119.524 118.700 -0.324 0.000 2.200 305 N HA 0.161 4.902 4.740 0.001 0.000 0.224 305 N C 0.084 175.397 175.510 -0.328 0.000 1.179 305 N CA -0.540 52.188 53.050 -0.537 0.000 0.877 305 N CB -0.012 37.886 38.487 -0.982 0.000 1.072 305 N HN 0.330 nan 8.380 nan 0.000 0.519 306 R N 1.421 121.775 120.500 -0.243 0.000 2.446 306 R HA 0.013 4.354 4.340 0.001 0.000 0.325 306 R C -0.468 175.789 176.300 -0.071 0.000 0.997 306 R CA 0.383 56.388 56.100 -0.157 0.000 1.010 306 R CB -1.485 28.869 30.300 0.092 0.000 0.946 306 R HN 0.443 nan 8.270 nan 0.000 0.422 307 H N 1.200 120.265 119.070 -0.008 0.000 2.731 307 H HA -0.219 4.338 4.556 0.001 0.000 0.305 307 H C -0.852 174.469 175.328 -0.013 0.000 1.132 307 H CA 1.533 57.578 56.048 -0.004 0.000 1.148 307 H CB -1.222 28.552 29.762 0.020 0.000 1.379 307 H HN 0.635 nan 8.280 nan 0.000 0.398 308 S N -2.691 112.995 115.700 -0.023 0.000 2.488 308 S HA 0.304 4.775 4.470 0.001 0.000 0.151 308 S C -2.163 172.339 174.600 -0.163 0.000 1.401 308 S CA -1.145 57.033 58.200 -0.036 0.000 1.221 308 S CB 1.975 65.171 63.200 -0.006 0.000 1.407 308 S HN -0.141 nan 8.310 nan 0.000 0.406 309 P HA -0.087 nan 4.420 nan 0.000 0.217 309 P C 0.714 177.964 177.300 -0.082 0.000 1.148 309 P CA 1.199 64.227 63.100 -0.120 0.000 0.828 309 P CB 0.011 31.711 31.700 0.001 0.000 0.783 310 N N -2.679 116.046 118.700 0.042 0.000 2.270 310 N HA 0.065 4.806 4.740 0.001 0.000 0.198 310 N C -0.403 175.318 175.510 0.352 0.000 1.117 310 N CA 0.039 53.223 53.050 0.223 0.000 0.845 310 N CB -0.311 38.310 38.487 0.223 0.000 0.980 310 N HN 0.137 nan 8.380 nan 0.000 0.486 311 Y N -0.132 120.194 120.300 0.043 0.000 2.510 311 Y HA -0.338 4.212 4.550 0.001 0.000 0.021 311 Y C 0.621 176.539 175.900 0.030 0.000 1.705 311 Y CA -0.023 58.083 58.100 0.011 0.000 1.417 311 Y CB -0.487 37.953 38.460 -0.034 0.000 2.062 311 Y HN 0.248 nan 8.280 nan 0.000 0.254 312 R N 0.268 120.870 120.500 0.171 0.000 2.747 312 R HA 0.880 5.220 4.340 0.001 0.000 0.272 312 R C -2.272 174.088 176.300 0.100 0.000 1.032 312 R CA -1.329 54.845 56.100 0.122 0.000 0.896 312 R CB 1.448 31.820 30.300 0.120 0.000 1.253 312 R HN 0.527 nan 8.270 nan 0.000 0.461 313 L N 2.387 123.657 121.223 0.078 0.000 2.307 313 L HA 0.641 4.982 4.340 0.001 0.000 0.284 313 L C -0.137 176.795 176.870 0.104 0.000 1.023 313 L CA -0.999 53.883 54.840 0.069 0.000 0.810 313 L CB 1.639 43.705 42.059 0.011 0.000 1.231 313 L HN 0.591 nan 8.230 nan 0.000 0.423 314 I N 0.038 120.688 120.570 0.133 0.000 2.934 314 I HA 0.518 4.688 4.170 0.001 0.000 0.306 314 I C -1.099 175.095 176.117 0.127 0.000 1.110 314 I CA -0.783 60.609 61.300 0.153 0.000 1.019 314 I CB 2.429 40.549 38.000 0.200 0.000 1.227 314 I HN 0.506 nan 8.210 nan 0.000 0.434 315 N N 4.250 123.017 118.700 0.112 0.000 2.417 315 N HA 0.606 5.346 4.740 0.001 0.000 0.274 315 N C -1.292 174.259 175.510 0.067 0.000 0.987 315 N CA -0.622 52.474 53.050 0.077 0.000 0.912 315 N CB 2.226 40.748 38.487 0.059 0.000 1.177 315 N HN 0.455 nan 8.380 nan 0.000 0.490 316 I N 1.236 121.839 120.570 0.055 0.000 2.378 316 I HA 0.171 4.341 4.170 0.001 0.000 0.291 316 I C -0.571 175.631 176.117 0.141 0.000 0.992 316 I CA -0.692 60.601 61.300 -0.012 0.000 1.154 316 I CB 1.560 39.450 38.000 -0.184 0.000 1.315 316 I HN 0.395 nan 8.210 nan 0.000 0.448 317 D N 5.893 126.404 120.400 0.185 0.000 2.317 317 D HA 0.165 4.805 4.640 0.001 0.000 0.234 317 D C 0.793 177.272 176.300 0.297 0.000 1.112 317 D CA -0.276 53.825 54.000 0.168 0.000 0.840 317 D CB 0.912 41.803 40.800 0.152 0.000 1.078 317 D HN 0.227 nan 8.370 nan 0.000 0.486 318 F N 1.551 121.515 119.950 0.023 0.000 2.307 318 F HA -0.147 4.380 4.527 0.001 0.000 0.301 318 F C 2.564 178.409 175.800 0.076 0.000 1.076 318 F CA 1.285 59.264 58.000 -0.035 0.000 1.383 318 F CB -1.271 37.561 39.000 -0.279 0.000 1.055 318 F HN 0.452 nan 8.300 nan 0.000 0.526 319 T N -3.759 110.959 114.554 0.274 0.000 3.088 319 T HA -0.027 4.324 4.350 0.001 0.000 0.259 319 T C 0.507 175.308 174.700 0.169 0.000 1.122 319 T CA 0.810 63.029 62.100 0.199 0.000 1.095 319 T CB -0.028 68.935 68.868 0.158 0.000 0.930 319 T HN 0.044 nan 8.240 nan 0.000 0.508 320 D N 1.415 121.930 120.400 0.192 0.000 2.968 320 D HA 0.269 4.909 4.640 0.001 0.000 0.301 320 D C -1.930 174.514 176.300 0.241 0.000 1.226 320 D CA -1.755 52.350 54.000 0.175 0.000 0.746 320 D CB 1.155 42.046 40.800 0.150 0.000 1.278 320 D HN 0.041 nan 8.370 nan 0.000 0.544 321 P HA -0.089 nan 4.420 nan 0.000 0.231 321 P C -0.043 177.494 177.300 0.396 0.000 1.158 321 P CA 0.335 63.640 63.100 0.342 0.000 0.763 321 P CB 0.392 32.233 31.700 0.235 0.000 0.805 322 E N 0.666 120.983 120.200 0.195 0.000 2.414 322 E HA -0.054 4.296 4.350 0.001 0.000 0.263 322 E C 1.224 177.665 176.600 -0.265 0.000 1.000 322 E CA -0.053 56.355 56.400 0.013 0.000 0.914 322 E CB 0.554 30.240 29.700 -0.024 0.000 0.948 322 E HN 0.202 nan 8.360 nan 0.000 0.444 323 E N 1.909 121.698 120.200 -0.686 0.000 2.130 323 E HA -0.248 4.102 4.350 0.001 0.000 0.196 323 E C 1.714 177.791 176.600 -0.872 0.000 0.998 323 E CA 1.576 57.001 56.400 -1.626 0.000 0.806 323 E CB 0.086 29.036 29.700 -1.251 0.000 0.738 323 E HN 0.562 nan 8.360 nan 0.000 0.459 324 S N -0.011 115.443 115.700 -0.409 0.000 2.465 324 S HA -0.102 4.368 4.470 0.001 0.000 0.241 324 S C 1.481 176.029 174.600 -0.086 0.000 1.000 324 S CA 0.774 58.856 58.200 -0.196 0.000 0.964 324 S CB -0.025 63.103 63.200 -0.119 0.000 0.763 324 S HN 0.121 nan 8.310 nan 0.000 0.512 325 K N -0.211 120.159 120.400 -0.050 0.000 2.361 325 K HA 0.181 4.502 4.320 0.001 0.000 0.194 325 K C -0.162 176.604 176.600 0.277 0.000 1.032 325 K CA -0.246 56.108 56.287 0.111 0.000 1.048 325 K CB -0.208 32.378 32.500 0.144 0.000 0.842 325 K HN 0.442 nan 8.250 nan 0.000 0.526 326 W N 2.922 124.276 121.300 0.089 0.000 2.193 326 W HA 0.073 4.733 4.660 0.001 0.000 0.338 326 W C 0.694 177.273 176.519 0.100 0.000 1.310 326 W CA -0.643 56.770 57.345 0.112 0.000 1.243 326 W CB 0.102 29.642 29.460 0.133 0.000 1.165 326 W HN -0.278 nan 8.180 nan 0.000 0.566 327 K N 2.146 122.739 120.400 0.321 0.000 2.159 327 K HA 0.397 4.718 4.320 0.001 0.000 0.266 327 K C -0.751 175.965 176.600 0.193 0.000 0.975 327 K CA -1.090 55.321 56.287 0.207 0.000 0.865 327 K CB 1.920 34.508 32.500 0.146 0.000 1.087 327 K HN 0.108 nan 8.250 nan 0.000 0.446 328 V N 5.119 125.131 119.914 0.164 0.000 2.372 328 V HA 0.014 4.134 4.120 0.001 0.000 0.261 328 V C 1.447 177.607 176.094 0.110 0.000 1.055 328 V CA -0.199 62.189 62.300 0.145 0.000 0.930 328 V CB 0.674 32.576 31.823 0.132 0.000 1.031 328 V HN 0.631 nan 8.190 nan 0.000 0.479 329 L N 6.492 127.774 121.223 0.098 0.000 2.068 329 L HA 0.195 4.535 4.340 0.001 0.000 0.204 329 L C 0.765 177.683 176.870 0.080 0.000 1.076 329 L CA 1.849 56.735 54.840 0.076 0.000 0.753 329 L CB 0.463 42.553 42.059 0.053 0.000 0.910 329 L HN 0.440 nan 8.230 nan 0.000 0.439 330 V N 1.102 121.063 119.914 0.079 0.000 2.398 330 V HA 0.371 4.491 4.120 0.001 0.000 0.282 330 V C -2.282 173.876 176.094 0.106 0.000 1.014 330 V CA -1.534 60.820 62.300 0.089 0.000 0.838 330 V CB 1.022 32.868 31.823 0.038 0.000 1.018 330 V HN 0.081 nan 8.190 nan 0.000 0.432 331 P HA 0.033 nan 4.420 nan 0.000 0.269 331 P C -0.010 177.374 177.300 0.139 0.000 1.217 331 P CA 0.020 63.186 63.100 0.110 0.000 0.783 331 P CB 0.647 32.398 31.700 0.084 0.000 0.898 332 E N 1.618 121.896 120.200 0.131 0.000 2.373 332 E HA -0.028 4.323 4.350 0.001 0.000 0.267 332 E C -0.328 176.373 176.600 0.169 0.000 1.032 332 E CA -0.278 56.220 56.400 0.164 0.000 0.889 332 E CB 0.334 30.108 29.700 0.122 0.000 0.984 332 E HN 0.459 nan 8.360 nan 0.000 0.425 333 H N 3.568 122.719 119.070 0.134 0.000 2.511 333 H HA 0.042 4.598 4.556 0.001 0.000 0.346 333 H C 0.546 175.919 175.328 0.075 0.000 1.128 333 H CA 0.228 56.326 56.048 0.082 0.000 1.342 333 H CB 1.294 31.094 29.762 0.064 0.000 1.470 333 H HN 0.771 nan 8.280 nan 0.000 0.546 334 E N 2.576 122.662 120.200 -0.189 0.000 2.171 334 E HA -0.203 4.147 4.350 0.001 0.000 0.197 334 E C 1.239 177.904 176.600 0.108 0.000 0.997 334 E CA 1.337 57.708 56.400 -0.048 0.000 0.810 334 E CB 0.414 30.032 29.700 -0.138 0.000 0.738 334 E HN 0.538 nan 8.360 nan 0.000 0.467 335 K N -0.426 120.157 120.400 0.305 0.000 2.603 335 K HA 0.017 4.337 4.320 0.001 0.000 0.205 335 K C -0.671 176.104 176.600 0.292 0.000 1.500 335 K CA -0.098 56.350 56.287 0.268 0.000 1.059 335 K CB 0.839 33.450 32.500 0.185 0.000 1.416 335 K HN -0.114 nan 8.250 nan 0.000 0.562 336 D N 1.891 122.483 120.400 0.319 0.000 2.383 336 D HA 0.073 4.713 4.640 0.001 0.000 0.252 336 D C -0.551 175.893 176.300 0.241 0.000 1.166 336 D CA 0.036 54.111 54.000 0.125 0.000 0.879 336 D CB 1.649 42.307 40.800 -0.237 0.000 1.164 336 D HN -0.139 nan 8.370 nan 0.000 0.462 337 V N 3.195 123.208 119.914 0.166 0.000 2.530 337 V HA 0.025 4.146 4.120 0.001 0.000 0.282 337 V C 0.323 176.430 176.094 0.022 0.000 1.048 337 V CA -0.709 61.676 62.300 0.142 0.000 0.997 337 V CB 1.253 33.107 31.823 0.052 0.000 0.987 337 V HN 0.339 nan 8.190 nan 0.000 0.477 338 L N 5.659 126.834 121.223 -0.080 0.000 2.342 338 L HA 0.287 4.627 4.340 0.001 0.000 0.285 338 L C 1.161 177.749 176.870 -0.471 0.000 1.095 338 L CA 0.682 55.201 54.840 -0.535 0.000 0.843 338 L CB 0.179 41.971 42.059 -0.444 0.000 1.201 338 L HN 0.722 nan 8.230 nan 0.000 0.445 339 E N 5.345 125.249 120.200 -0.493 0.000 2.028 339 E HA -0.016 4.334 4.350 0.001 0.000 0.190 339 E C -0.529 175.935 176.600 -0.228 0.000 0.984 339 E CA 1.349 57.539 56.400 -0.350 0.000 0.800 339 E CB 0.137 29.711 29.700 -0.210 0.000 0.758 339 E HN 0.737 nan 8.360 nan 0.000 0.448 340 W N -1.227 119.886 121.300 -0.311 0.000 3.066 340 W HA 0.585 5.245 4.660 0.001 0.000 0.330 340 W C -1.648 174.700 176.519 -0.286 0.000 1.253 340 W CA -0.844 56.345 57.345 -0.260 0.000 1.187 340 W CB 0.659 30.000 29.460 -0.197 0.000 1.434 340 W HN -0.369 nan 8.180 nan 0.000 0.572 341 V N 1.178 121.141 119.914 0.082 0.000 2.888 341 V HA 0.826 4.947 4.120 0.001 0.000 0.309 341 V C -0.360 175.789 176.094 0.091 0.000 1.114 341 V CA -0.755 61.510 62.300 -0.058 0.000 0.940 341 V CB 1.138 32.871 31.823 -0.149 0.000 1.021 341 V HN 0.916 nan 8.190 nan 0.000 0.426 342 A N 1.978 124.824 122.820 0.045 0.000 2.413 342 A HA 0.819 5.139 4.320 0.001 0.000 0.307 342 A C -0.802 176.826 177.584 0.073 0.000 1.087 342 A CA -0.502 51.579 52.037 0.073 0.000 0.750 342 A CB 1.804 20.830 19.000 0.043 0.000 1.296 342 A HN 1.099 nan 8.150 nan 0.000 0.423 343 C N 1.770 121.121 119.300 0.085 0.000 2.329 343 C HA 0.832 5.293 4.460 0.001 0.000 0.329 343 C C -0.324 174.768 174.990 0.170 0.000 1.275 343 C CA -0.106 58.962 59.018 0.084 0.000 1.726 343 C CB 0.035 27.767 27.740 -0.013 0.000 2.291 343 C HN 1.117 nan 8.230 nan 0.000 0.514 344 V N 6.717 126.760 119.914 0.214 0.000 3.087 344 V HA 0.668 4.788 4.120 0.001 0.000 0.306 344 V C 0.337 176.554 176.094 0.205 0.000 1.187 344 V CA -0.550 61.895 62.300 0.240 0.000 0.999 344 V CB 1.771 33.794 31.823 0.333 0.000 1.049 344 V HN 1.050 nan 8.190 nan 0.000 0.431 345 R N 3.352 123.935 120.500 0.139 0.000 3.416 345 R HA -0.216 4.124 4.340 0.001 0.000 0.263 345 R C 0.932 177.184 176.300 -0.080 0.000 1.053 345 R CA 0.930 57.054 56.100 0.040 0.000 0.705 345 R CB -1.451 28.891 30.300 0.070 0.000 1.124 345 R HN 1.384 nan 8.270 nan 0.000 0.444 346 S N -2.153 113.531 115.700 -0.026 0.000 1.552 346 S HA -0.347 4.124 4.470 0.001 0.000 0.237 346 S C 0.577 175.132 174.600 -0.073 0.000 0.756 346 S CA 2.080 60.247 58.200 -0.055 0.000 1.349 346 S CB -0.958 62.193 63.200 -0.083 0.000 1.675 346 S HN 0.917 nan 8.310 nan 0.000 0.517 347 N N 0.024 118.631 118.700 -0.155 0.000 2.291 347 N HA 0.425 5.166 4.740 0.001 0.000 0.244 347 N C -0.713 174.806 175.510 0.015 0.000 1.216 347 N CA -0.368 52.614 53.050 -0.112 0.000 0.879 347 N CB 0.378 38.776 38.487 -0.149 0.000 1.167 347 N HN 0.280 nan 8.380 nan 0.000 0.515 348 F N 1.250 121.222 119.950 0.037 0.000 2.450 348 F HA 0.558 5.086 4.527 0.001 0.000 0.332 348 F C 0.002 175.837 175.800 0.058 0.000 1.093 348 F CA -1.490 56.545 58.000 0.059 0.000 1.003 348 F CB 1.471 40.523 39.000 0.087 0.000 1.151 348 F HN -0.073 nan 8.300 nan 0.000 0.474 349 L N 3.143 124.521 121.223 0.258 0.000 2.341 349 L HA 0.608 4.949 4.340 0.001 0.000 0.278 349 L C -0.954 175.962 176.870 0.078 0.000 1.005 349 L CA -1.017 53.892 54.840 0.114 0.000 0.818 349 L CB 2.102 44.183 42.059 0.036 0.000 1.259 349 L HN 0.181 nan 8.230 nan 0.000 0.418 350 V N 4.826 124.756 119.914 0.026 0.000 2.370 350 V HA 0.398 4.518 4.120 0.001 0.000 0.283 350 V C 0.043 175.979 176.094 -0.263 0.000 1.023 350 V CA -0.418 61.861 62.300 -0.035 0.000 0.857 350 V CB 1.657 33.474 31.823 -0.011 0.000 0.985 350 V HN 0.459 nan 8.190 nan 0.000 0.443 351 L N 4.601 125.634 121.223 -0.318 0.000 2.322 351 L HA 0.527 4.867 4.340 0.001 0.000 0.281 351 L C -0.347 176.119 176.870 -0.672 0.000 1.014 351 L CA -0.229 54.285 54.840 -0.543 0.000 0.815 351 L CB 1.701 43.472 42.059 -0.480 0.000 1.247 351 L HN 0.687 nan 8.230 nan 0.000 0.421 352 C N 4.137 122.777 119.300 -1.101 0.000 2.301 352 C HA 0.600 5.061 4.460 0.001 0.000 0.323 352 C C -0.290 174.234 174.990 -0.777 0.000 1.265 352 C CA -0.373 58.034 59.018 -1.019 0.000 1.503 352 C CB -0.139 26.506 27.740 -1.825 0.000 2.195 352 C HN 0.644 nan 8.230 nan 0.000 0.477 353 Y N 3.683 123.766 120.300 -0.360 0.000 2.496 353 Y HA 0.687 5.237 4.550 0.001 0.000 0.331 353 Y C -0.045 175.765 175.900 -0.151 0.000 1.140 353 Y CA -0.838 57.119 58.100 -0.239 0.000 1.166 353 Y CB 1.363 39.701 38.460 -0.204 0.000 1.249 353 Y HN 0.526 nan 8.280 nan 0.000 0.479 354 L N 2.450 123.711 121.223 0.063 0.000 2.316 354 L HA 0.349 4.689 4.340 0.001 0.000 0.280 354 L C -1.381 175.521 176.870 0.053 0.000 1.006 354 L CA -0.414 54.442 54.840 0.027 0.000 0.836 354 L CB 0.262 42.289 42.059 -0.053 0.000 1.221 354 L HN 0.654 nan 8.230 nan 0.000 0.418 355 H N 4.288 123.351 119.070 -0.012 0.000 2.595 355 H HA 0.348 4.905 4.556 0.001 0.000 0.313 355 H C -0.499 174.850 175.328 0.034 0.000 1.023 355 H CA -0.294 55.747 56.048 -0.011 0.000 1.218 355 H CB 0.491 30.237 29.762 -0.027 0.000 1.403 355 H HN 0.659 nan 8.280 nan 0.000 0.477 356 D N 4.470 124.690 120.400 -0.301 0.000 2.686 356 D HA -0.184 4.457 4.640 0.001 0.000 0.235 356 D C 0.280 176.563 176.300 -0.029 0.000 1.160 356 D CA 1.224 55.146 54.000 -0.129 0.000 0.645 356 D CB -1.204 39.555 40.800 -0.068 0.000 1.039 356 D HN 0.605 nan 8.370 nan 0.000 0.423 357 V N -2.683 117.170 119.914 -0.102 0.000 4.032 357 V HA -0.362 3.759 4.120 0.001 0.000 0.231 357 V C 0.640 176.874 176.094 0.234 0.000 0.429 357 V CA 1.897 64.226 62.300 0.049 0.000 0.934 357 V CB -1.828 30.039 31.823 0.074 0.000 1.004 357 V HN 0.497 nan 8.190 nan 0.000 1.283 358 K N 0.197 120.707 120.400 0.184 0.000 2.371 358 K HA 0.604 4.924 4.320 0.001 0.000 0.251 358 K C -0.178 176.515 176.600 0.157 0.000 0.934 358 K CA -0.714 55.694 56.287 0.201 0.000 0.798 358 K CB 2.092 34.746 32.500 0.256 0.000 1.204 358 K HN 0.360 nan 8.250 nan 0.000 0.427 359 N N 0.458 119.247 118.700 0.149 0.000 2.515 359 N HA 0.287 5.027 4.740 0.001 0.000 0.279 359 N C -0.870 174.710 175.510 0.117 0.000 1.164 359 N CA -0.149 52.974 53.050 0.122 0.000 0.982 359 N CB 1.078 39.646 38.487 0.134 0.000 1.170 359 N HN 0.569 nan 8.380 nan 0.000 0.474 360 T N -1.073 113.515 114.554 0.057 0.000 2.906 360 T HA 0.544 4.895 4.350 0.001 0.000 0.295 360 T C -0.876 173.806 174.700 -0.030 0.000 1.061 360 T CA -0.878 61.234 62.100 0.020 0.000 1.000 360 T CB 1.011 69.876 68.868 -0.006 0.000 1.103 360 T HN 0.185 nan 8.240 nan 0.000 0.486 361 L N 1.681 122.881 121.223 -0.039 0.000 2.385 361 L HA 0.552 4.893 4.340 0.001 0.000 0.273 361 L C -0.750 176.144 176.870 0.041 0.000 0.990 361 L CA -0.649 54.155 54.840 -0.060 0.000 0.821 361 L CB 2.085 44.056 42.059 -0.147 0.000 1.279 361 L HN 0.833 nan 8.230 nan 0.000 0.412 362 Q N 3.098 122.915 119.800 0.027 0.000 2.421 362 Q HA 0.537 4.878 4.340 0.001 0.000 0.280 362 Q C -1.632 174.394 176.000 0.044 0.000 1.085 362 Q CA -0.948 54.840 55.803 -0.024 0.000 0.807 362 Q CB 3.635 32.454 28.738 0.136 0.000 1.405 362 Q HN 0.349 nan 8.270 nan 0.000 0.419 363 L N 1.486 122.623 121.223 -0.144 0.000 2.322 363 L HA 0.471 4.811 4.340 0.001 0.000 0.281 363 L C -1.223 175.607 176.870 -0.068 0.000 1.014 363 L CA -0.000 54.780 54.840 -0.100 0.000 0.815 363 L CB 1.096 42.925 42.059 -0.383 0.000 1.247 363 L HN 0.619 nan 8.230 nan 0.000 0.421 364 H N 1.536 120.534 119.070 -0.121 0.000 2.834 364 H HA 0.281 4.838 4.556 0.001 0.000 0.369 364 H C -1.365 173.995 175.328 0.054 0.000 1.174 364 H CA -0.965 55.054 56.048 -0.048 0.000 1.165 364 H CB 2.290 32.043 29.762 -0.015 0.000 1.820 364 H HN 0.552 nan 8.280 nan 0.000 0.558 365 D N 1.276 121.788 120.400 0.186 0.000 2.308 365 D HA -0.018 4.623 4.640 0.001 0.000 0.251 365 D C 0.853 177.249 176.300 0.160 0.000 1.127 365 D CA -0.402 53.720 54.000 0.204 0.000 0.876 365 D CB 1.120 41.994 40.800 0.124 0.000 1.176 365 D HN 0.282 nan 8.370 nan 0.000 0.446 366 L N 4.992 126.297 121.223 0.137 0.000 2.046 366 L HA 0.016 4.356 4.340 0.001 0.000 0.208 366 L C 1.992 178.883 176.870 0.035 0.000 1.077 366 L CA 2.286 57.164 54.840 0.063 0.000 0.747 366 L CB -0.901 41.172 42.059 0.023 0.000 0.896 366 L HN 0.595 nan 8.230 nan 0.000 0.432 367 A N -1.384 121.455 122.820 0.033 0.000 1.902 367 A HA -0.206 4.115 4.320 0.001 0.000 0.217 367 A C 2.273 179.877 177.584 0.033 0.000 1.181 367 A CA 2.524 54.573 52.037 0.021 0.000 0.623 367 A CB -1.052 17.957 19.000 0.015 0.000 0.818 367 A HN 0.622 nan 8.150 nan 0.000 0.443 368 T N -6.370 108.213 114.554 0.048 0.000 2.969 368 T HA 0.434 4.785 4.350 0.001 0.000 0.250 368 T C 1.480 176.223 174.700 0.071 0.000 1.021 368 T CA 1.088 63.219 62.100 0.051 0.000 1.003 368 T CB 0.404 69.297 68.868 0.042 0.000 1.040 368 T HN 1.748 nan 8.240 nan 0.000 0.492 369 G N 1.752 110.610 108.800 0.097 0.000 2.176 369 G HA2 -0.062 3.898 3.960 0.001 0.000 0.253 369 G HA3 -0.062 3.898 3.960 0.001 0.000 0.253 369 G C 0.390 175.423 174.900 0.222 0.000 0.979 369 G CA 0.010 45.203 45.100 0.154 0.000 0.641 369 G HN 1.259 nan 8.290 nan 0.000 0.530 370 A N 0.052 122.930 122.820 0.097 0.000 2.498 370 A HA 0.602 4.922 4.320 0.001 0.000 0.239 370 A C 0.636 178.097 177.584 -0.205 0.000 1.068 370 A CA 0.384 52.418 52.037 -0.005 0.000 0.766 370 A CB 0.490 19.476 19.000 -0.025 0.000 1.003 370 A HN 1.658 nan 8.150 nan 0.000 0.497 371 L N 2.492 123.467 121.223 -0.413 0.000 2.455 371 L HA 0.246 4.587 4.340 0.001 0.000 0.272 371 L C 0.519 177.134 176.870 -0.424 0.000 1.174 371 L CA 0.611 54.988 54.840 -0.772 0.000 0.869 371 L CB 0.119 41.858 42.059 -0.533 0.000 1.130 371 L HN 0.731 nan 8.230 nan 0.000 0.474 372 L N 2.810 123.778 121.223 -0.425 0.000 2.526 372 L HA 0.356 4.696 4.340 0.001 0.000 0.210 372 L C 0.145 176.816 176.870 -0.333 0.000 1.048 372 L CA -0.044 54.619 54.840 -0.295 0.000 0.852 372 L CB 0.054 41.958 42.059 -0.258 0.000 1.128 372 L HN 0.592 nan 8.230 nan 0.000 0.482 373 K N 0.323 120.460 120.400 -0.439 0.000 2.543 373 K HA 0.452 4.772 4.320 0.001 0.000 0.255 373 K C -1.610 174.606 176.600 -0.640 0.000 0.934 373 K CA -0.283 55.688 56.287 -0.526 0.000 0.810 373 K CB 1.818 33.929 32.500 -0.648 0.000 1.315 373 K HN -0.205 nan 8.250 nan 0.000 0.433 374 I N 4.837 125.098 120.570 -0.516 0.000 2.336 374 I HA 0.344 4.514 4.170 0.001 0.000 0.292 374 I C -0.613 175.235 176.117 -0.450 0.000 0.991 374 I CA -0.607 60.440 61.300 -0.421 0.000 1.227 374 I CB 0.694 38.547 38.000 -0.246 0.000 1.366 374 I HN 0.550 nan 8.210 nan 0.000 0.466 375 F N 7.502 127.351 119.950 -0.169 0.000 2.391 375 F HA 0.350 4.877 4.527 0.001 0.000 0.359 375 F C -1.589 174.096 175.800 -0.191 0.000 1.122 375 F CA -2.594 55.295 58.000 -0.185 0.000 1.120 375 F CB 0.333 39.170 39.000 -0.272 0.000 1.142 375 F HN 0.256 nan 8.300 nan 0.000 0.483 376 P HA 0.178 nan 4.420 nan 0.000 0.267 376 P C -0.870 176.341 177.300 -0.148 0.000 1.205 376 P CA 0.241 63.297 63.100 -0.073 0.000 0.765 376 P CB 1.128 32.792 31.700 -0.060 0.000 0.828 377 L N 1.940 123.077 121.223 -0.143 0.000 2.409 377 L HA 0.409 4.750 4.340 0.001 0.000 0.262 377 L C 0.738 177.480 176.870 -0.214 0.000 0.992 377 L CA -1.118 53.566 54.840 -0.260 0.000 0.817 377 L CB 2.256 44.229 42.059 -0.143 0.000 1.350 377 L HN 0.260 nan 8.230 nan 0.000 0.411 378 E N 0.733 120.687 120.200 -0.410 0.000 2.622 378 E HA 0.249 4.600 4.350 0.001 0.000 0.255 378 E C -0.642 176.060 176.600 0.171 0.000 1.313 378 E CA -0.558 55.779 56.400 -0.106 0.000 1.011 378 E CB 1.135 30.794 29.700 -0.067 0.000 1.173 378 E HN 0.167 nan 8.360 nan 0.000 0.601 379 V N 0.858 120.934 119.914 0.270 0.000 2.479 379 V HA 0.457 4.577 4.120 0.001 0.000 0.281 379 V C 0.853 177.175 176.094 0.379 0.000 1.031 379 V CA 1.200 63.680 62.300 0.300 0.000 1.038 379 V CB 0.071 32.034 31.823 0.234 0.000 0.981 379 V HN 0.813 nan 8.190 nan 0.000 0.478 380 G N 4.194 113.169 108.800 0.291 0.000 2.399 380 G HA2 0.380 4.341 3.960 0.001 0.000 0.256 380 G HA3 0.380 4.341 3.960 0.001 0.000 0.256 380 G C -1.008 173.831 174.900 -0.101 0.000 1.236 380 G CA -0.260 44.786 45.100 -0.090 0.000 0.914 380 G HN 0.608 nan 8.290 nan 0.000 0.482 381 S N -1.208 114.264 115.700 -0.379 0.000 2.536 381 S HA 0.680 5.150 4.470 0.001 0.000 0.298 381 S C -0.574 174.004 174.600 -0.035 0.000 1.083 381 S CA -0.511 57.604 58.200 -0.141 0.000 0.995 381 S CB 2.034 65.135 63.200 -0.165 0.000 1.058 381 S HN 0.829 nan 8.310 nan 0.000 0.488 382 V N 3.204 123.225 119.914 0.178 0.000 2.364 382 V HA 0.225 4.345 4.120 0.001 0.000 0.272 382 V C 0.758 176.999 176.094 0.245 0.000 1.036 382 V CA -0.253 62.238 62.300 0.320 0.000 0.880 382 V CB 1.009 33.093 31.823 0.435 0.000 0.991 382 V HN 0.851 nan 8.190 nan 0.000 0.460 383 V N 2.053 122.079 119.914 0.188 0.000 3.427 383 V HA 0.734 4.855 4.120 0.001 0.000 0.305 383 V C 0.577 176.742 176.094 0.118 0.000 1.412 383 V CA 0.465 62.834 62.300 0.114 0.000 1.086 383 V CB 0.258 32.116 31.823 0.058 0.000 0.964 383 V HN 0.793 nan 8.190 nan 0.000 0.439 384 G N -0.503 108.413 108.800 0.193 0.000 2.742 384 G HA2 0.598 4.558 3.960 0.001 0.000 0.296 384 G HA3 0.598 4.558 3.960 0.001 0.000 0.296 384 G C -2.266 172.809 174.900 0.292 0.000 1.436 384 G CA -0.696 44.514 45.100 0.184 0.000 0.928 384 G HN 0.446 nan 8.290 nan 0.000 0.520 385 Y N 1.029 121.368 120.300 0.065 0.000 2.558 385 Y HA 0.699 5.250 4.550 0.001 0.000 0.333 385 Y C -0.759 175.215 175.900 0.124 0.000 1.125 385 Y CA -0.660 57.511 58.100 0.119 0.000 1.039 385 Y CB 2.173 40.571 38.460 -0.104 0.000 1.331 385 Y HN 1.155 nan 8.280 nan 0.000 0.456 386 S N 3.131 118.303 115.700 -0.880 0.000 2.546 386 S HA 0.899 5.370 4.470 0.001 0.000 0.272 386 S C -0.692 173.502 174.600 -0.677 0.000 1.140 386 S CA -0.267 57.612 58.200 -0.535 0.000 0.920 386 S CB 1.524 64.735 63.200 0.020 0.000 1.083 386 S HN 1.972 nan 8.310 nan 0.000 0.476 387 G N 2.326 110.978 108.800 -0.247 0.000 1.968 387 G HA2 0.220 4.181 3.960 0.001 0.000 0.183 387 G HA3 0.220 4.181 3.960 0.001 0.000 0.183 387 G C -1.201 173.838 174.900 0.232 0.000 1.665 387 G CA -0.859 44.271 45.100 0.050 0.000 1.015 387 G HN 0.747 nan 8.290 nan 0.000 0.624 388 Q N 0.891 120.799 119.800 0.180 0.000 2.169 388 Q HA 0.425 4.765 4.340 0.001 0.000 0.234 388 Q C 1.534 177.629 176.000 0.158 0.000 0.980 388 Q CA -0.807 55.104 55.803 0.180 0.000 0.941 388 Q CB 1.861 30.688 28.738 0.147 0.000 1.199 388 Q HN 0.505 nan 8.270 nan 0.000 0.496 389 K N 1.042 121.524 120.400 0.137 0.000 2.089 389 K HA -0.241 4.079 4.320 0.001 0.000 0.210 389 K C 1.556 178.206 176.600 0.083 0.000 1.048 389 K CA 2.163 58.511 56.287 0.102 0.000 0.926 389 K CB 0.039 32.588 32.500 0.081 0.000 0.714 389 K HN 0.470 nan 8.250 nan 0.000 0.448 390 K N -0.244 120.205 120.400 0.082 0.000 2.459 390 K HA 0.021 4.341 4.320 0.001 0.000 0.193 390 K C -0.263 176.373 176.600 0.060 0.000 1.030 390 K CA 0.290 56.613 56.287 0.060 0.000 1.026 390 K CB 0.168 32.699 32.500 0.052 0.000 0.809 390 K HN 0.005 nan 8.250 nan 0.000 0.504 391 D N 2.258 122.708 120.400 0.083 0.000 2.344 391 D HA -0.001 4.639 4.640 0.001 0.000 0.244 391 D C 0.641 177.003 176.300 0.103 0.000 1.134 391 D CA 0.347 54.402 54.000 0.092 0.000 0.930 391 D CB 1.715 42.586 40.800 0.119 0.000 1.175 391 D HN 0.278 nan 8.370 nan 0.000 0.437 392 T N -2.690 111.927 114.554 0.104 0.000 3.132 392 T HA 0.205 4.555 4.350 0.001 0.000 0.274 392 T C 0.272 175.037 174.700 0.108 0.000 1.011 392 T CA -0.504 61.657 62.100 0.103 0.000 0.899 392 T CB 0.079 68.993 68.868 0.077 0.000 1.089 392 T HN 0.569 nan 8.240 nan 0.000 0.543 393 E N 1.113 121.380 120.200 0.112 0.000 2.430 393 E HA 0.625 4.975 4.350 0.001 0.000 0.279 393 E C -1.289 175.336 176.600 0.042 0.000 1.003 393 E CA -1.409 55.008 56.400 0.028 0.000 0.801 393 E CB 1.876 31.603 29.700 0.044 0.000 1.313 393 E HN 0.406 nan 8.360 nan 0.000 0.459 394 I N -1.673 118.844 120.570 -0.087 0.000 2.785 394 I HA 0.710 4.881 4.170 0.001 0.000 0.302 394 I C -1.442 174.580 176.117 -0.158 0.000 1.069 394 I CA -1.206 60.084 61.300 -0.018 0.000 1.045 394 I CB 1.571 39.652 38.000 0.136 0.000 1.236 394 I HN 0.428 nan 8.210 nan 0.000 0.429 395 F N 3.522 123.451 119.950 -0.034 0.000 2.551 395 F HA 0.699 5.226 4.527 0.001 0.000 0.316 395 F C -0.832 175.034 175.800 0.110 0.000 1.089 395 F CA -0.539 57.437 58.000 -0.041 0.000 0.915 395 F CB 2.191 41.140 39.000 -0.086 0.000 1.186 395 F HN 0.531 nan 8.300 nan 0.000 0.456 396 Y N -0.236 120.247 120.300 0.305 0.000 2.519 396 Y HA 0.546 5.097 4.550 0.001 0.000 0.336 396 Y C -1.311 174.820 175.900 0.385 0.000 1.089 396 Y CA -1.341 56.963 58.100 0.341 0.000 1.025 396 Y CB 1.208 39.888 38.460 0.366 0.000 1.318 396 Y HN 0.624 nan 8.280 nan 0.000 0.452 397 Q N 3.400 123.488 119.800 0.480 0.000 2.293 397 Q HA 0.521 4.861 4.340 0.001 0.000 0.261 397 Q C -2.050 174.229 176.000 0.465 0.000 0.960 397 Q CA -0.842 55.194 55.803 0.389 0.000 0.882 397 Q CB 1.526 30.430 28.738 0.276 0.000 1.275 397 Q HN 0.777 nan 8.270 nan 0.000 0.445 398 F N 2.293 122.427 119.950 0.307 0.000 2.480 398 F HA 0.647 5.174 4.527 0.001 0.000 0.329 398 F C -0.721 175.169 175.800 0.151 0.000 1.091 398 F CA -0.187 57.977 58.000 0.275 0.000 0.972 398 F CB 2.219 41.458 39.000 0.399 0.000 1.150 398 F HN 0.494 nan 8.300 nan 0.000 0.467 399 T N 2.828 116.880 114.554 -0.836 0.000 2.841 399 T HA 0.754 5.105 4.350 0.001 0.000 0.296 399 T C -1.211 172.961 174.700 -0.880 0.000 1.166 399 T CA -0.041 61.697 62.100 -0.603 0.000 1.007 399 T CB 1.295 70.028 68.868 -0.226 0.000 1.253 399 T HN 1.021 nan 8.240 nan 0.000 0.511 400 S N 0.580 116.012 115.700 -0.446 0.000 2.752 400 S HA 0.564 5.035 4.470 0.001 0.000 0.284 400 S C -0.005 174.484 174.600 -0.184 0.000 1.189 400 S CA -0.688 57.284 58.200 -0.380 0.000 0.835 400 S CB 0.333 63.455 63.200 -0.130 0.000 1.192 400 S HN 0.444 nan 8.310 nan 0.000 0.506 401 F N 0.449 120.377 119.950 -0.036 0.000 2.259 401 F HA 0.306 4.833 4.527 0.001 0.000 0.298 401 F C 1.776 177.655 175.800 0.132 0.000 1.088 401 F CA 0.951 58.953 58.000 0.003 0.000 1.358 401 F CB -0.369 38.585 39.000 -0.076 0.000 1.040 401 F HN 0.356 nan 8.300 nan 0.000 0.505 402 L N -1.367 120.045 121.223 0.314 0.000 2.590 402 L HA 0.206 4.547 4.340 0.001 0.000 0.227 402 L C 0.397 177.385 176.870 0.196 0.000 1.099 402 L CA -0.021 54.983 54.840 0.273 0.000 0.872 402 L CB -0.194 41.985 42.059 0.199 0.000 1.088 402 L HN -0.010 nan 8.230 nan 0.000 0.479 403 S N -1.509 114.192 115.700 0.002 0.000 2.548 403 S HA 0.684 5.155 4.470 0.001 0.000 0.286 403 S C -2.811 171.283 174.600 -0.844 0.000 1.098 403 S CA -1.446 56.514 58.200 -0.399 0.000 0.930 403 S CB 2.476 65.604 63.200 -0.120 0.000 1.070 403 S HN -0.266 nan 8.310 nan 0.000 0.480 404 P HA 0.370 nan 4.420 nan 0.000 0.302 404 P C 0.539 177.690 177.300 -0.248 0.000 1.301 404 P CA -0.258 62.381 63.100 -0.769 0.000 0.745 404 P CB -0.132 31.215 31.700 -0.589 0.000 1.331 405 G N -0.912 107.859 108.800 -0.049 0.000 2.606 405 G HA2 0.487 4.447 3.960 0.001 0.000 0.252 405 G HA3 0.487 4.447 3.960 0.001 0.000 0.252 405 G C -0.749 174.174 174.900 0.037 0.000 1.206 405 G CA -0.400 44.725 45.100 0.042 0.000 0.861 405 G HN 0.343 nan 8.290 nan 0.000 0.561 406 I N 0.479 121.096 120.570 0.077 0.000 2.499 406 I HA 0.302 4.472 4.170 0.001 0.000 0.288 406 I C -0.615 175.445 176.117 -0.095 0.000 1.048 406 I CA -0.507 60.734 61.300 -0.099 0.000 1.062 406 I CB 2.229 40.075 38.000 -0.257 0.000 1.238 406 I HN 0.210 nan 8.210 nan 0.000 0.426 407 I N 6.229 126.721 120.570 -0.131 0.000 2.354 407 I HA 0.333 4.504 4.170 0.001 0.000 0.292 407 I C -0.890 175.124 176.117 -0.172 0.000 0.989 407 I CA -0.492 60.802 61.300 -0.010 0.000 1.188 407 I CB 1.104 39.186 38.000 0.137 0.000 1.342 407 I HN 0.377 nan 8.210 nan 0.000 0.457 408 Y N 4.474 124.622 120.300 -0.253 0.000 2.453 408 Y HA 0.450 5.001 4.550 0.001 0.000 0.326 408 Y C 0.168 175.819 175.900 -0.415 0.000 1.186 408 Y CA -0.466 57.376 58.100 -0.429 0.000 1.200 408 Y CB 1.253 39.135 38.460 -0.964 0.000 1.247 408 Y HN 0.467 nan 8.280 nan 0.000 0.482 409 H N 1.156 120.057 119.070 -0.282 0.000 2.717 409 H HA 0.548 5.105 4.556 0.001 0.000 0.366 409 H C -1.756 173.360 175.328 -0.353 0.000 1.132 409 H CA -0.740 54.953 56.048 -0.591 0.000 1.180 409 H CB 2.072 31.398 29.762 -0.726 0.000 1.678 409 H HN 0.804 nan 8.280 nan 0.000 0.537 410 C N 5.396 124.117 119.300 -0.965 0.000 2.505 410 C HA 0.157 4.618 4.460 0.001 0.000 0.342 410 C C -0.738 173.875 174.990 -0.629 0.000 1.121 410 C CA -0.711 57.939 59.018 -0.613 0.000 1.306 410 C CB 0.317 27.920 27.740 -0.228 0.000 1.897 410 C HN 0.900 nan 8.230 nan 0.000 0.446 411 D N 4.398 124.491 120.400 -0.513 0.000 2.352 411 D HA 0.190 4.831 4.640 0.001 0.000 0.245 411 D C 0.863 177.131 176.300 -0.052 0.000 1.224 411 D CA -0.060 53.800 54.000 -0.233 0.000 0.879 411 D CB 0.664 41.400 40.800 -0.107 0.000 1.057 411 D HN 0.690 nan 8.370 nan 0.000 0.491 412 L N 3.116 124.358 121.223 0.033 0.000 2.650 412 L HA 0.024 4.364 4.340 0.001 0.000 0.235 412 L C 1.930 178.914 176.870 0.190 0.000 1.149 412 L CA 0.514 55.457 54.840 0.172 0.000 0.887 412 L CB -0.482 41.767 42.059 0.317 0.000 1.021 412 L HN 0.467 nan 8.230 nan 0.000 0.441 413 T N -4.799 109.815 114.554 0.101 0.000 3.060 413 T HA 0.100 4.450 4.350 0.001 0.000 0.249 413 T C 0.860 175.600 174.700 0.067 0.000 1.079 413 T CA -0.286 61.862 62.100 0.079 0.000 1.013 413 T CB 0.138 69.038 68.868 0.053 0.000 0.975 413 T HN -0.076 nan 8.240 nan 0.000 0.518 414 K N 2.028 122.466 120.400 0.064 0.000 2.234 414 K HA 0.315 4.635 4.320 0.001 0.000 0.282 414 K C 0.906 177.541 176.600 0.058 0.000 1.039 414 K CA -0.238 56.077 56.287 0.046 0.000 0.928 414 K CB 1.839 34.356 32.500 0.028 0.000 1.039 414 K HN 0.066 nan 8.250 nan 0.000 0.470 415 E N 1.773 122.000 120.200 0.045 0.000 2.058 415 E HA -0.216 4.134 4.350 0.001 0.000 0.194 415 E C -0.139 176.479 176.600 0.031 0.000 0.997 415 E CA 1.534 57.961 56.400 0.045 0.000 0.801 415 E CB 0.151 29.868 29.700 0.029 0.000 0.746 415 E HN 0.449 nan 8.360 nan 0.000 0.450 416 E N 0.207 120.418 120.200 0.018 0.000 1.993 416 E HA 0.218 4.569 4.350 0.001 0.000 0.271 416 E C -0.890 175.714 176.600 0.008 0.000 1.008 416 E CA -0.129 56.273 56.400 0.004 0.000 0.814 416 E CB 0.031 29.730 29.700 -0.001 0.000 1.098 416 E HN 0.150 nan 8.360 nan 0.000 0.407 417 L N 3.544 124.769 121.223 0.004 0.000 2.439 417 L HA 0.368 4.709 4.340 0.001 0.000 0.269 417 L C 0.093 176.980 176.870 0.029 0.000 1.179 417 L CA 0.034 54.888 54.840 0.023 0.000 0.828 417 L CB 0.550 42.620 42.059 0.018 0.000 1.106 417 L HN 0.422 nan 8.230 nan 0.000 0.467 418 E N 2.668 122.904 120.200 0.060 0.000 2.531 418 E HA 0.223 4.573 4.350 0.001 0.000 0.323 418 E C -2.517 174.127 176.600 0.074 0.000 0.908 418 E CA -1.281 55.161 56.400 0.069 0.000 0.792 418 E CB 1.539 31.259 29.700 0.033 0.000 1.360 418 E HN 0.280 nan 8.360 nan 0.000 0.394 419 P HA 0.273 nan 4.420 nan 0.000 0.272 419 P C -0.435 176.927 177.300 0.103 0.000 1.223 419 P CA -0.257 62.883 63.100 0.068 0.000 0.784 419 P CB 1.278 33.030 31.700 0.086 0.000 0.923 420 R N 0.555 121.115 120.500 0.099 0.000 2.750 420 R HA 0.479 4.819 4.340 0.001 0.000 0.281 420 R C -0.687 175.685 176.300 0.120 0.000 0.972 420 R CA -1.292 54.877 56.100 0.115 0.000 0.912 420 R CB 1.870 32.211 30.300 0.069 0.000 1.187 420 R HN 0.201 nan 8.270 nan 0.000 0.464 421 V N 3.089 123.018 119.914 0.024 0.000 2.585 421 V HA -0.045 4.075 4.120 0.001 0.000 0.296 421 V C 0.384 176.442 176.094 -0.060 0.000 1.035 421 V CA 0.857 63.068 62.300 -0.149 0.000 1.084 421 V CB 0.398 32.107 31.823 -0.191 0.000 0.953 421 V HN 0.699 nan 8.190 nan 0.000 0.483 422 F N 4.481 124.291 119.950 -0.233 0.000 2.553 422 F HA 0.458 4.985 4.527 0.001 0.000 0.282 422 F C 0.935 176.568 175.800 -0.279 0.000 1.089 422 F CA -0.031 57.843 58.000 -0.210 0.000 1.411 422 F CB 0.498 39.431 39.000 -0.112 0.000 1.125 422 F HN 0.458 nan 8.300 nan 0.000 0.610 423 R N 1.064 121.431 120.500 -0.220 0.000 2.566 423 R HA 0.372 4.712 4.340 0.001 0.000 0.271 423 R C -1.966 174.200 176.300 -0.223 0.000 1.071 423 R CA -0.467 55.433 56.100 -0.333 0.000 0.915 423 R CB 1.340 31.412 30.300 -0.380 0.000 1.228 423 R HN 0.196 nan 8.270 nan 0.000 0.449 424 E N 3.318 123.396 120.200 -0.204 0.000 2.304 424 E HA 0.503 4.854 4.350 0.001 0.000 0.277 424 E C -1.507 175.040 176.600 -0.089 0.000 0.898 424 E CA -0.925 55.392 56.400 -0.138 0.000 0.764 424 E CB 1.866 31.475 29.700 -0.152 0.000 1.216 424 E HN 0.452 nan 8.360 nan 0.000 0.419 425 V N 0.781 120.670 119.914 -0.041 0.000 2.628 425 V HA 0.746 4.866 4.120 0.001 0.000 0.306 425 V C -0.408 175.643 176.094 -0.072 0.000 1.045 425 V CA -0.498 61.800 62.300 -0.002 0.000 0.905 425 V CB 1.752 33.650 31.823 0.125 0.000 0.997 425 V HN 0.614 nan 8.190 nan 0.000 0.436 426 T N 3.251 117.769 114.554 -0.059 0.000 2.792 426 T HA 0.560 4.911 4.350 0.001 0.000 0.280 426 T C -0.598 174.051 174.700 -0.085 0.000 0.990 426 T CA -0.256 61.790 62.100 -0.091 0.000 0.960 426 T CB 1.421 70.257 68.868 -0.053 0.000 0.939 426 T HN 0.744 nan 8.240 nan 0.000 0.439 427 V N 6.624 126.453 119.914 -0.142 0.000 2.389 427 V HA 0.265 4.386 4.120 0.001 0.000 0.264 427 V C 0.460 176.551 176.094 -0.005 0.000 1.049 427 V CA -0.477 61.767 62.300 -0.093 0.000 0.932 427 V CB 0.483 32.232 31.823 -0.124 0.000 1.011 427 V HN 0.729 nan 8.190 nan 0.000 0.475 428 K N 4.208 124.624 120.400 0.026 0.000 2.349 428 K HA 0.517 4.838 4.320 0.001 0.000 0.289 428 K C 1.078 177.713 176.600 0.058 0.000 1.064 428 K CA 0.577 56.888 56.287 0.038 0.000 0.947 428 K CB 0.813 33.337 32.500 0.040 0.000 1.007 428 K HN 0.990 nan 8.250 nan 0.000 0.478 429 G N 2.896 111.732 108.800 0.061 0.000 2.797 429 G HA2 -0.134 3.826 3.960 0.001 0.000 0.195 429 G HA3 -0.134 3.826 3.960 0.001 0.000 0.195 429 G C -0.151 174.805 174.900 0.093 0.000 1.026 429 G CA -0.702 44.446 45.100 0.081 0.000 0.759 429 G HN 0.458 nan 8.290 nan 0.000 0.475 430 I N 2.893 123.522 120.570 0.098 0.000 2.412 430 I HA 0.319 4.489 4.170 0.001 0.000 0.279 430 I C -0.834 175.383 176.117 0.167 0.000 1.063 430 I CA -0.986 60.399 61.300 0.142 0.000 1.193 430 I CB 0.816 38.884 38.000 0.112 0.000 1.370 430 I HN 0.097 nan 8.210 nan 0.000 0.479 431 D N 5.002 125.503 120.400 0.169 0.000 2.342 431 D HA 0.239 4.880 4.640 0.001 0.000 0.260 431 D C 1.246 177.661 176.300 0.192 0.000 1.278 431 D CA 0.096 54.163 54.000 0.111 0.000 0.910 431 D CB 1.437 42.250 40.800 0.023 0.000 1.079 431 D HN 0.603 nan 8.370 nan 0.000 0.496 432 A N 3.197 126.126 122.820 0.183 0.000 1.978 432 A HA -0.208 4.112 4.320 0.001 0.000 0.220 432 A C 2.143 179.826 177.584 0.166 0.000 1.170 432 A CA 1.956 54.134 52.037 0.236 0.000 0.636 432 A CB -0.593 18.492 19.000 0.141 0.000 0.810 432 A HN 0.629 nan 8.150 nan 0.000 0.448 433 S N -0.221 115.514 115.700 0.058 0.000 2.469 433 S HA -0.141 4.330 4.470 0.001 0.000 0.238 433 S C 1.055 175.604 174.600 -0.084 0.000 0.998 433 S CA 1.289 59.490 58.200 0.002 0.000 0.957 433 S CB -0.360 62.834 63.200 -0.010 0.000 0.764 433 S HN 0.534 nan 8.310 nan 0.000 0.514 434 D N 0.258 120.526 120.400 -0.220 0.000 2.323 434 D HA 0.157 4.797 4.640 0.001 0.000 0.209 434 D C -0.166 175.760 176.300 -0.622 0.000 0.973 434 D CA 0.635 54.344 54.000 -0.485 0.000 0.874 434 D CB 0.039 40.393 40.800 -0.743 0.000 0.930 434 D HN 0.523 nan 8.370 nan 0.000 0.521 435 Y N 0.196 120.480 120.300 -0.027 0.000 2.602 435 Y HA 0.432 4.983 4.550 0.001 0.000 0.330 435 Y C 0.489 176.347 175.900 -0.069 0.000 1.114 435 Y CA -1.185 56.883 58.100 -0.053 0.000 1.182 435 Y CB 1.101 39.536 38.460 -0.042 0.000 1.305 435 Y HN -0.277 nan 8.280 nan 0.000 0.502 436 Q N -0.859 118.946 119.800 0.010 0.000 2.416 436 Q HA 0.758 5.098 4.340 0.001 0.000 0.281 436 Q C -1.763 174.165 176.000 -0.120 0.000 1.067 436 Q CA -1.083 54.684 55.803 -0.059 0.000 0.809 436 Q CB 2.317 30.994 28.738 -0.102 0.000 1.418 436 Q HN 0.567 nan 8.270 nan 0.000 0.411 437 T N 1.430 115.981 114.554 -0.006 0.000 2.807 437 T HA 0.627 4.977 4.350 0.001 0.000 0.279 437 T C -0.598 174.167 174.700 0.109 0.000 0.993 437 T CA -0.584 61.535 62.100 0.032 0.000 0.970 437 T CB 1.423 70.373 68.868 0.136 0.000 0.950 437 T HN 0.642 nan 8.240 nan 0.000 0.441 438 V N 1.433 121.429 119.914 0.137 0.000 2.914 438 V HA 0.772 4.892 4.120 0.001 0.000 0.314 438 V C -0.973 175.237 176.094 0.193 0.000 1.084 438 V CA -1.115 61.292 62.300 0.178 0.000 0.963 438 V CB 2.029 33.965 31.823 0.188 0.000 1.025 438 V HN 0.882 nan 8.190 nan 0.000 0.432 439 Q N 2.544 122.419 119.800 0.125 0.000 2.330 439 Q HA 0.754 5.095 4.340 0.001 0.000 0.269 439 Q C -1.293 174.591 176.000 -0.194 0.000 1.022 439 Q CA -0.751 54.984 55.803 -0.114 0.000 0.796 439 Q CB 1.991 30.632 28.738 -0.161 0.000 1.271 439 Q HN 0.996 nan 8.270 nan 0.000 0.450 440 I N -0.508 119.836 120.570 -0.377 0.000 3.002 440 I HA 0.682 4.852 4.170 0.001 0.000 0.310 440 I C -1.538 174.189 176.117 -0.651 0.000 1.087 440 I CA -0.873 60.258 61.300 -0.281 0.000 1.017 440 I CB 1.603 39.548 38.000 -0.092 0.000 1.226 440 I HN 0.419 nan 8.210 nan 0.000 0.443 441 F N 3.245 123.147 119.950 -0.079 0.000 2.507 441 F HA 0.614 5.141 4.527 0.001 0.000 0.328 441 F C -0.723 175.021 175.800 -0.092 0.000 1.136 441 F CA -0.540 57.383 58.000 -0.127 0.000 0.930 441 F CB 1.552 40.486 39.000 -0.111 0.000 1.166 441 F HN 0.538 nan 8.300 nan 0.000 0.436 442 Y N 2.155 122.422 120.300 -0.056 0.000 2.446 442 Y HA 0.819 5.369 4.550 0.001 0.000 0.338 442 Y C -3.104 172.836 175.900 0.066 0.000 1.055 442 Y CA -3.840 54.238 58.100 -0.035 0.000 1.101 442 Y CB 1.140 39.474 38.460 -0.211 0.000 1.221 442 Y HN 0.273 nan 8.280 nan 0.000 0.460 443 P HA 0.112 nan 4.420 nan 0.000 0.286 443 P C -0.304 177.116 177.300 0.201 0.000 1.269 443 P CA -0.113 63.061 63.100 0.122 0.000 0.787 443 P CB 2.008 33.781 31.700 0.121 0.000 0.920 444 S N 2.194 117.953 115.700 0.099 0.000 2.652 444 S HA 0.102 4.573 4.470 0.001 0.000 0.267 444 S C 1.592 176.245 174.600 0.088 0.000 1.201 444 S CA -0.426 57.855 58.200 0.135 0.000 0.996 444 S CB 0.280 63.510 63.200 0.050 0.000 1.054 444 S HN 0.489 nan 8.310 nan 0.000 0.561 445 K N 0.376 120.819 120.400 0.070 0.000 2.044 445 K HA -0.194 4.127 4.320 0.001 0.000 0.210 445 K C 0.995 177.608 176.600 0.023 0.000 1.049 445 K CA 2.269 58.584 56.287 0.045 0.000 0.927 445 K CB -0.461 32.059 32.500 0.034 0.000 0.713 445 K HN 0.759 nan 8.250 nan 0.000 0.443 446 D N -1.826 118.575 120.400 0.001 0.000 2.328 446 D HA 0.060 4.700 4.640 0.001 0.000 0.226 446 D C 1.005 177.300 176.300 -0.008 0.000 1.066 446 D CA 0.764 54.756 54.000 -0.013 0.000 0.861 446 D CB 0.388 41.165 40.800 -0.038 0.000 0.912 446 D HN 0.472 nan 8.370 nan 0.000 0.521 447 G N -0.517 108.287 108.800 0.007 0.000 2.217 447 G HA2 -0.274 3.686 3.960 0.001 0.000 0.246 447 G HA3 -0.274 3.686 3.960 0.001 0.000 0.246 447 G C 0.477 175.376 174.900 -0.001 0.000 0.990 447 G CA 0.204 45.311 45.100 0.011 0.000 0.627 447 G HN 0.449 nan 8.290 nan 0.000 0.522 448 T N 3.388 117.931 114.554 -0.018 0.000 2.867 448 T HA 0.365 4.715 4.350 0.001 0.000 0.297 448 T C 0.488 175.177 174.700 -0.017 0.000 0.989 448 T CA 0.258 62.347 62.100 -0.018 0.000 1.159 448 T CB 0.968 69.804 68.868 -0.052 0.000 0.928 448 T HN 0.171 nan 8.240 nan 0.000 0.538 449 K N 3.931 124.330 120.400 -0.002 0.000 2.349 449 K HA 0.245 4.565 4.320 0.001 0.000 0.288 449 K C -0.070 176.548 176.600 0.030 0.000 1.058 449 K CA -0.310 55.965 56.287 -0.021 0.000 0.953 449 K CB 0.588 33.079 32.500 -0.015 0.000 0.997 449 K HN 0.445 nan 8.250 nan 0.000 0.477 450 I N 5.649 126.066 120.570 -0.254 0.000 2.404 450 I HA 0.322 4.492 4.170 0.001 0.000 0.293 450 I C -2.272 173.657 176.117 -0.314 0.000 0.992 450 I CA -3.219 57.945 61.300 -0.228 0.000 1.149 450 I CB 1.195 38.789 38.000 -0.676 0.000 1.315 450 I HN 0.186 nan 8.210 nan 0.000 0.446 451 P HA 0.473 nan 4.420 nan 0.000 0.277 451 P C -0.788 176.332 177.300 -0.300 0.000 1.240 451 P CA -0.619 62.204 63.100 -0.462 0.000 0.798 451 P CB 1.032 32.525 31.700 -0.344 0.000 0.979 452 M N 2.239 121.570 119.600 -0.448 0.000 2.284 452 M HA 0.458 4.939 4.480 0.001 0.000 0.281 452 M C -1.936 174.178 176.300 -0.309 0.000 1.083 452 M CA -0.543 54.632 55.300 -0.208 0.000 0.965 452 M CB 1.072 33.665 32.600 -0.011 0.000 1.717 452 M HN -0.014 nan 8.290 nan 0.000 0.479 453 F N 5.111 125.049 119.950 -0.021 0.000 2.385 453 F HA 0.647 5.175 4.527 0.001 0.000 0.336 453 F C -0.172 175.548 175.800 -0.134 0.000 1.100 453 F CA -0.247 57.721 58.000 -0.052 0.000 1.116 453 F CB 1.140 40.153 39.000 0.022 0.000 1.166 453 F HN 0.384 nan 8.300 nan 0.000 0.511 454 I N 3.378 123.985 120.570 0.061 0.000 2.533 454 I HA 0.454 4.625 4.170 0.001 0.000 0.290 454 I C -1.278 174.816 176.117 -0.038 0.000 1.056 454 I CA -0.893 60.388 61.300 -0.032 0.000 1.057 454 I CB 2.064 39.995 38.000 -0.116 0.000 1.240 454 I HN 0.122 nan 8.210 nan 0.000 0.423 455 V N 5.549 125.414 119.914 -0.082 0.000 2.540 455 V HA 0.594 4.714 4.120 0.001 0.000 0.302 455 V C -0.800 175.323 176.094 0.048 0.000 1.035 455 V CA -0.486 61.742 62.300 -0.120 0.000 0.873 455 V CB 1.591 33.258 31.823 -0.260 0.000 0.992 455 V HN 0.975 nan 8.190 nan 0.000 0.428 456 H N 1.491 120.607 119.070 0.077 0.000 2.948 456 H HA 0.588 5.144 4.556 0.001 0.000 0.315 456 H C -0.761 174.673 175.328 0.178 0.000 1.360 456 H CA -1.154 54.956 56.048 0.103 0.000 1.125 456 H CB 1.225 31.038 29.762 0.086 0.000 1.844 456 H HN 0.469 nan 8.280 nan 0.000 0.529 457 K N 1.270 121.868 120.400 0.331 0.000 2.326 457 K HA 0.137 4.457 4.320 0.001 0.000 0.275 457 K C -0.547 176.162 176.600 0.181 0.000 1.018 457 K CA -0.485 55.902 56.287 0.167 0.000 0.962 457 K CB 0.486 33.014 32.500 0.047 0.000 0.953 457 K HN 0.596 nan 8.250 nan 0.000 0.475 458 K N 1.500 121.909 120.400 0.015 0.000 2.401 458 K HA 0.040 4.361 4.320 0.001 0.000 0.278 458 K C 0.603 177.233 176.600 0.050 0.000 1.018 458 K CA 0.930 57.246 56.287 0.049 0.000 0.981 458 K CB 0.552 33.035 32.500 -0.028 0.000 0.933 458 K HN 0.931 nan 8.250 nan 0.000 0.477 459 G N 2.612 111.463 108.800 0.086 0.000 2.137 459 G HA2 -0.251 3.709 3.960 0.001 0.000 0.237 459 G HA3 -0.251 3.709 3.960 0.001 0.000 0.237 459 G C 0.206 175.108 174.900 0.003 0.000 1.002 459 G CA 0.286 45.407 45.100 0.034 0.000 0.702 459 G HN 0.713 nan 8.290 nan 0.000 0.515 460 I N -2.506 118.049 120.570 -0.024 0.000 2.638 460 I HA 0.644 4.814 4.170 0.001 0.000 0.286 460 I C 0.508 176.581 176.117 -0.074 0.000 1.088 460 I CA -0.925 60.321 61.300 -0.091 0.000 1.397 460 I CB 0.959 38.768 38.000 -0.318 0.000 1.414 460 I HN -0.133 nan 8.210 nan 0.000 0.566 461 K N 6.267 126.681 120.400 0.022 0.000 2.258 461 K HA 0.341 4.662 4.320 0.001 0.000 0.284 461 K C -0.538 176.089 176.600 0.045 0.000 1.051 461 K CA -0.418 55.876 56.287 0.011 0.000 0.923 461 K CB 1.025 33.536 32.500 0.018 0.000 1.046 461 K HN 0.732 nan 8.250 nan 0.000 0.474 462 L N 5.498 126.661 121.223 -0.100 0.000 2.391 462 L HA 0.046 4.386 4.340 0.001 0.000 0.249 462 L C 0.515 177.313 176.870 -0.121 0.000 1.308 462 L CA -0.109 54.619 54.840 -0.187 0.000 1.209 462 L CB -0.297 41.528 42.059 -0.390 0.000 1.401 462 L HN 0.555 nan 8.230 nan 0.000 0.416 463 D N -0.755 119.603 120.400 -0.069 0.000 2.395 463 D HA 0.105 4.745 4.640 0.001 0.000 0.213 463 D C 1.332 177.565 176.300 -0.112 0.000 1.110 463 D CA 0.280 54.224 54.000 -0.094 0.000 0.835 463 D CB 0.669 41.414 40.800 -0.092 0.000 0.965 463 D HN 0.373 nan 8.370 nan 0.000 0.505 464 G N 0.680 109.420 108.800 -0.099 0.000 2.162 464 G HA2 -0.355 3.605 3.960 0.001 0.000 0.260 464 G HA3 -0.355 3.605 3.960 0.001 0.000 0.260 464 G C 1.089 175.910 174.900 -0.131 0.000 0.976 464 G CA 0.777 45.834 45.100 -0.072 0.000 0.655 464 G HN 0.685 nan 8.290 nan 0.000 0.533 465 S N -0.184 115.322 115.700 -0.324 0.000 2.558 465 S HA 0.186 4.656 4.470 0.001 0.000 0.217 465 S C 0.825 175.205 174.600 -0.366 0.000 0.975 465 S CA 0.196 58.183 58.200 -0.354 0.000 0.912 465 S CB -0.046 62.919 63.200 -0.391 0.000 0.776 465 S HN 0.644 nan 8.310 nan 0.000 0.526 466 H N 3.063 122.147 119.070 0.023 0.000 2.487 466 H HA 0.430 4.987 4.556 0.001 0.000 0.333 466 H C -2.721 172.664 175.328 0.096 0.000 1.114 466 H CA -2.177 53.896 56.048 0.041 0.000 1.310 466 H CB 0.444 30.230 29.762 0.040 0.000 1.462 466 H HN 0.247 nan 8.280 nan 0.000 0.516 467 P HA 0.292 nan 4.420 nan 0.000 0.277 467 P C -0.870 176.684 177.300 0.423 0.000 1.240 467 P CA -0.396 62.882 63.100 0.296 0.000 0.798 467 P CB 1.213 33.100 31.700 0.311 0.000 0.979 468 A N 2.355 125.463 122.820 0.480 0.000 2.454 468 A HA 0.718 5.039 4.320 0.001 0.000 0.302 468 A C -1.770 176.129 177.584 0.524 0.000 1.079 468 A CA -0.588 51.752 52.037 0.504 0.000 0.731 468 A CB 1.253 20.443 19.000 0.316 0.000 1.299 468 A HN 0.477 nan 8.150 nan 0.000 0.413 469 F N 2.088 122.219 119.950 0.302 0.000 2.500 469 F HA 0.571 5.098 4.527 0.001 0.000 0.349 469 F C -1.146 174.744 175.800 0.150 0.000 1.127 469 F CA -0.818 57.240 58.000 0.097 0.000 0.998 469 F CB 1.447 40.351 39.000 -0.160 0.000 1.237 469 F HN 0.484 nan 8.300 nan 0.000 0.439 470 L N 7.946 129.140 121.223 -0.049 0.000 2.272 470 L HA 0.453 4.794 4.340 0.001 0.000 0.289 470 L C -1.804 175.123 176.870 0.095 0.000 1.032 470 L CA -0.574 54.289 54.840 0.039 0.000 0.810 470 L CB 0.709 42.712 42.059 -0.094 0.000 1.205 470 L HN 0.601 nan 8.230 nan 0.000 0.422 471 Y N 4.239 124.639 120.300 0.167 0.000 2.387 471 Y HA 0.809 5.360 4.550 0.001 0.000 0.336 471 Y C 0.141 176.251 175.900 0.349 0.000 1.067 471 Y CA -0.054 58.169 58.100 0.205 0.000 1.114 471 Y CB 1.901 40.509 38.460 0.246 0.000 1.208 471 Y HN 0.737 nan 8.280 nan 0.000 0.458 472 G N 3.344 111.778 108.800 -0.609 0.000 2.698 472 G HA2 0.315 4.275 3.960 0.001 0.000 0.293 472 G HA3 0.315 4.275 3.960 0.001 0.000 0.293 472 G C -2.038 172.470 174.900 -0.655 0.000 1.437 472 G CA -0.429 44.376 45.100 -0.491 0.000 0.852 472 G HN 0.651 nan 8.290 nan 0.000 0.499 473 Y N 0.544 120.598 120.300 -0.410 0.000 3.224 473 Y HA 0.483 5.033 4.550 0.001 0.000 0.184 473 Y C 1.451 177.228 175.900 -0.205 0.000 0.891 473 Y CA 1.477 59.410 58.100 -0.278 0.000 1.736 473 Y CB 0.515 38.926 38.460 -0.081 0.000 1.411 473 Y HN 1.720 nan 8.280 nan 0.000 0.402 474 G N 1.085 109.846 108.800 -0.066 0.000 2.623 474 G HA2 0.377 4.338 3.960 0.001 0.000 0.281 474 G HA3 0.377 4.338 3.960 0.001 0.000 0.281 474 G C 0.002 174.717 174.900 -0.309 0.000 1.087 474 G CA 0.408 45.398 45.100 -0.184 0.000 1.244 474 G HN 1.448 nan 8.290 nan 0.000 0.544 475 G N -0.953 107.772 108.800 -0.126 0.000 2.339 475 G HA2 0.599 4.559 3.960 0.001 0.000 0.302 475 G HA3 0.599 4.559 3.960 0.001 0.000 0.302 475 G C 0.003 174.942 174.900 0.066 0.000 1.425 475 G CA 0.173 45.143 45.100 -0.217 0.000 0.899 475 G HN 1.550 nan 8.290 nan 0.000 0.619 476 F N -0.389 119.521 119.950 -0.068 0.000 3.069 476 F HA -0.243 4.284 4.527 0.001 0.000 0.285 476 F C 1.341 176.942 175.800 -0.331 0.000 0.827 476 F CA 1.561 59.453 58.000 -0.181 0.000 1.108 476 F CB -1.544 37.415 39.000 -0.069 0.000 1.252 476 F HN 1.363 nan 8.300 nan 0.000 0.483 477 N N -0.640 117.830 118.700 -0.384 0.000 2.800 477 N HA -0.204 4.536 4.740 0.001 0.000 0.250 477 N C -0.503 175.006 175.510 -0.001 0.000 1.078 477 N CA 1.031 53.933 53.050 -0.248 0.000 0.804 477 N CB -0.704 37.562 38.487 -0.370 0.000 1.135 477 N HN 0.349 nan 8.380 nan 0.000 0.565 478 I N 0.855 121.490 120.570 0.109 0.000 2.371 478 I HA 0.187 4.357 4.170 0.001 0.000 0.290 478 I C 0.548 176.741 176.117 0.127 0.000 1.028 478 I CA -0.111 61.249 61.300 0.100 0.000 1.345 478 I CB 1.130 39.174 38.000 0.074 0.000 1.407 478 I HN 0.063 nan 8.210 nan 0.000 0.501 479 S N 6.779 122.522 115.700 0.071 0.000 2.457 479 S HA 0.484 4.954 4.470 0.001 0.000 0.289 479 S C 0.141 174.797 174.600 0.093 0.000 1.163 479 S CA -0.539 57.709 58.200 0.081 0.000 1.078 479 S CB 1.092 64.305 63.200 0.022 0.000 0.987 479 S HN 0.252 nan 8.310 nan 0.000 0.482 480 I N 4.880 125.547 120.570 0.162 0.000 2.282 480 I HA 0.184 4.354 4.170 0.001 0.000 0.290 480 I C 1.130 177.379 176.117 0.219 0.000 1.090 480 I CA -0.216 61.205 61.300 0.201 0.000 1.231 480 I CB -0.687 37.510 38.000 0.330 0.000 1.434 480 I HN 0.594 nan 8.210 nan 0.000 0.487 481 T N 4.251 118.869 114.554 0.107 0.000 2.923 481 T HA 0.592 4.942 4.350 0.001 0.000 0.281 481 T C -2.639 171.943 174.700 -0.195 0.000 0.995 481 T CA -2.149 59.978 62.100 0.046 0.000 0.985 481 T CB 1.237 70.104 68.868 -0.002 0.000 1.114 481 T HN 0.153 nan 8.240 nan 0.000 0.548 482 P HA 0.227 nan 4.420 nan 0.000 0.265 482 P C -0.663 176.157 177.300 -0.800 0.000 1.193 482 P CA -0.141 62.201 63.100 -1.262 0.000 0.765 482 P CB 0.202 31.122 31.700 -1.301 0.000 0.823 483 N N 1.900 120.127 118.700 -0.788 0.000 2.277 483 N HA 0.150 4.890 4.740 0.001 0.000 0.286 483 N C -1.826 173.605 175.510 -0.130 0.000 1.140 483 N CA -0.770 52.092 53.050 -0.313 0.000 0.799 483 N CB 0.951 39.344 38.487 -0.158 0.000 1.596 483 N HN 0.176 nan 8.380 nan 0.000 0.473 484 Y N 0.975 121.197 120.300 -0.131 0.000 2.365 484 Y HA 0.430 4.981 4.550 0.001 0.000 0.340 484 Y C -0.274 175.654 175.900 0.047 0.000 1.016 484 Y CA -0.171 57.909 58.100 -0.033 0.000 1.196 484 Y CB 0.719 39.161 38.460 -0.030 0.000 1.167 484 Y HN 0.621 nan 8.280 nan 0.000 0.509 485 S N 6.291 121.711 115.700 -0.467 0.000 2.774 485 S HA 0.314 4.784 4.470 0.001 0.000 0.297 485 S C 0.530 174.821 174.600 -0.514 0.000 1.143 485 S CA -0.351 57.644 58.200 -0.342 0.000 1.090 485 S CB 0.242 63.355 63.200 -0.145 0.000 1.019 485 S HN 0.809 nan 8.310 nan 0.000 0.482 486 V N 3.743 123.402 119.914 -0.425 0.000 2.515 486 V HA -0.027 4.093 4.120 0.001 0.000 0.250 486 V C 2.277 178.260 176.094 -0.185 0.000 1.058 486 V CA 2.075 64.207 62.300 -0.279 0.000 1.064 486 V CB -1.550 30.307 31.823 0.056 0.000 0.675 486 V HN 0.904 nan 8.190 nan 0.000 0.461 487 S N 1.226 116.843 115.700 -0.137 0.000 2.370 487 S HA -0.242 4.229 4.470 0.001 0.000 0.226 487 S C 2.157 176.594 174.600 -0.271 0.000 1.033 487 S CA 1.691 59.834 58.200 -0.096 0.000 1.011 487 S CB -0.700 62.522 63.200 0.036 0.000 0.852 487 S HN 0.637 nan 8.310 nan 0.000 0.457 488 R N 0.854 121.210 120.500 -0.240 0.000 2.092 488 R HA 0.200 4.541 4.340 0.001 0.000 0.231 488 R C 2.357 178.545 176.300 -0.187 0.000 1.119 488 R CA 1.278 57.225 56.100 -0.255 0.000 0.970 488 R CB -0.587 29.615 30.300 -0.163 0.000 0.864 488 R HN 0.412 nan 8.270 nan 0.000 0.440 489 L N 0.350 121.432 121.223 -0.235 0.000 2.201 489 L HA -0.122 4.218 4.340 0.001 0.000 0.212 489 L C 2.153 178.887 176.870 -0.228 0.000 1.105 489 L CA 0.955 55.627 54.840 -0.279 0.000 0.775 489 L CB -0.227 41.635 42.059 -0.329 0.000 0.913 489 L HN 0.195 nan 8.230 nan 0.000 0.440 490 I N -1.108 119.353 120.570 -0.181 0.000 2.439 490 I HA -0.288 3.883 4.170 0.001 0.000 0.251 490 I C 2.398 178.466 176.117 -0.082 0.000 1.139 490 I CA 1.047 62.283 61.300 -0.106 0.000 1.438 490 I CB -0.197 37.653 38.000 -0.250 0.000 1.085 490 I HN 0.176 nan 8.210 nan 0.000 0.427 491 F N 1.357 121.125 119.950 -0.304 0.000 2.134 491 F HA -0.176 4.352 4.527 0.001 0.000 0.299 491 F C 2.242 177.976 175.800 -0.110 0.000 1.097 491 F CA 1.522 59.391 58.000 -0.218 0.000 1.264 491 F CB -0.452 38.343 39.000 -0.341 0.000 1.001 491 F HN -0.231 nan 8.300 nan 0.000 0.479 492 V N 0.930 120.722 119.914 -0.204 0.000 2.237 492 V HA -0.282 3.839 4.120 0.001 0.000 0.245 492 V C 2.559 178.511 176.094 -0.236 0.000 1.046 492 V CA 2.332 64.478 62.300 -0.256 0.000 1.007 492 V CB -0.808 30.898 31.823 -0.194 0.000 0.638 492 V HN 0.286 nan 8.190 nan 0.000 0.445 493 R N -0.238 120.116 120.500 -0.244 0.000 2.066 493 R HA -0.114 4.226 4.340 0.001 0.000 0.232 493 R C 2.183 178.133 176.300 -0.583 0.000 1.131 493 R CA 1.855 57.765 56.100 -0.317 0.000 0.955 493 R CB -0.661 29.427 30.300 -0.352 0.000 0.851 493 R HN 0.639 nan 8.270 nan 0.000 0.432 494 H N -1.198 117.612 119.070 -0.434 0.000 2.563 494 H HA 0.230 4.787 4.556 0.001 0.000 0.264 494 H C 0.914 175.826 175.328 -0.693 0.000 0.957 494 H CA 0.925 56.484 56.048 -0.815 0.000 1.173 494 H CB 0.472 29.356 29.762 -1.463 0.000 1.420 494 H HN 0.263 nan 8.280 nan 0.000 0.551 495 M N -1.072 118.329 119.600 -0.331 0.000 2.300 495 M HA 0.231 4.711 4.480 0.001 0.000 0.313 495 M C 0.955 177.077 176.300 -0.297 0.000 0.988 495 M CA 0.134 55.310 55.300 -0.208 0.000 1.012 495 M CB 1.594 34.192 32.600 -0.003 0.000 1.586 495 M HN 0.197 nan 8.290 nan 0.000 0.562 496 G N 1.525 110.136 108.800 -0.315 0.000 2.249 496 G HA2 -0.205 3.756 3.960 0.001 0.000 0.273 496 G HA3 -0.205 3.756 3.960 0.001 0.000 0.273 496 G C 0.239 174.983 174.900 -0.260 0.000 1.036 496 G CA 0.114 45.086 45.100 -0.215 0.000 0.824 496 G HN 0.608 nan 8.290 nan 0.000 0.504 497 G N -1.820 106.615 108.800 -0.608 0.000 2.502 497 G HA2 0.673 4.634 3.960 0.001 0.000 0.305 497 G HA3 0.673 4.634 3.960 0.001 0.000 0.305 497 G C -0.267 174.552 174.900 -0.134 0.000 1.190 497 G CA -0.165 44.557 45.100 -0.630 0.000 0.933 497 G HN 0.870 nan 8.290 nan 0.000 0.503 498 V N 0.708 120.727 119.914 0.175 0.000 2.435 498 V HA 0.410 4.531 4.120 0.001 0.000 0.290 498 V C -0.286 176.039 176.094 0.384 0.000 1.030 498 V CA -0.672 61.781 62.300 0.254 0.000 0.881 498 V CB 1.327 33.303 31.823 0.254 0.000 0.983 498 V HN 0.634 nan 8.190 nan 0.000 0.445 499 L N 4.822 126.205 121.223 0.267 0.000 2.322 499 L HA 0.937 5.277 4.340 0.001 0.000 0.279 499 L C -0.010 176.936 176.870 0.127 0.000 1.036 499 L CA 0.062 55.053 54.840 0.251 0.000 0.807 499 L CB 1.343 43.473 42.059 0.119 0.000 1.226 499 L HN 0.801 nan 8.230 nan 0.000 0.433 500 A N 4.218 127.146 122.820 0.180 0.000 2.486 500 A HA 0.813 5.133 4.320 0.001 0.000 0.300 500 A C -1.760 175.957 177.584 0.222 0.000 1.048 500 A CA -0.545 51.559 52.037 0.112 0.000 0.696 500 A CB 1.893 20.922 19.000 0.049 0.000 1.278 500 A HN 0.512 nan 8.150 nan 0.000 0.405 501 V N 1.374 121.440 119.914 0.253 0.000 2.482 501 V HA 0.662 4.782 4.120 0.001 0.000 0.295 501 V C 0.254 176.559 176.094 0.351 0.000 1.026 501 V CA -0.275 62.270 62.300 0.408 0.000 0.856 501 V CB 1.449 33.587 31.823 0.524 0.000 1.001 501 V HN 1.389 nan 8.190 nan 0.000 0.424 502 A N 3.512 126.559 122.820 0.378 0.000 2.260 502 A HA 0.580 4.900 4.320 0.001 0.000 0.308 502 A C 0.170 177.966 177.584 0.354 0.000 1.254 502 A CA -0.505 51.746 52.037 0.356 0.000 0.874 502 A CB -0.032 19.219 19.000 0.418 0.000 1.153 502 A HN 0.892 nan 8.150 nan 0.000 0.527 503 N N 2.549 121.419 118.700 0.284 0.000 3.303 503 N HA 0.239 4.980 4.740 0.001 0.000 0.304 503 N C 0.390 176.179 175.510 0.465 0.000 1.302 503 N CA -0.218 53.022 53.050 0.316 0.000 1.213 503 N CB -0.062 38.533 38.487 0.180 0.000 1.481 503 N HN 0.801 nan 8.380 nan 0.000 0.546 504 I N -2.377 118.404 120.570 0.353 0.000 3.112 504 I HA 0.110 4.281 4.170 0.001 0.000 0.284 504 I C 0.573 176.717 176.117 0.045 0.000 1.227 504 I CA -0.637 60.788 61.300 0.209 0.000 1.369 504 I CB 0.735 38.806 38.000 0.118 0.000 1.376 504 I HN 0.128 nan 8.210 nan 0.000 0.608 505 R N 1.981 122.224 120.500 -0.430 0.000 2.827 505 R HA 0.284 4.624 4.340 0.001 0.000 0.269 505 R C 1.130 177.157 176.300 -0.455 0.000 1.048 505 R CA 0.997 56.554 56.100 -0.904 0.000 1.173 505 R CB 0.131 29.841 30.300 -0.983 0.000 1.070 505 R HN 1.083 nan 8.270 nan 0.000 0.498 506 G N -0.115 108.461 108.800 -0.373 0.000 2.254 506 G HA2 -0.225 3.736 3.960 0.001 0.000 0.225 506 G HA3 -0.225 3.736 3.960 0.001 0.000 0.225 506 G C 0.487 175.433 174.900 0.075 0.000 1.003 506 G CA -0.222 44.778 45.100 -0.168 0.000 0.622 506 G HN 0.888 nan 8.290 nan 0.000 0.507 507 G N -0.527 108.377 108.800 0.173 0.000 2.535 507 G HA2 0.572 4.532 3.960 0.001 0.000 0.282 507 G HA3 0.572 4.532 3.960 0.001 0.000 0.282 507 G C 0.992 176.126 174.900 0.390 0.000 1.350 507 G CA 0.191 45.478 45.100 0.313 0.000 1.039 507 G HN 1.319 nan 8.290 nan 0.000 0.509 508 G N -1.505 107.452 108.800 0.262 0.000 3.575 508 G HA2 0.299 4.259 3.960 0.001 0.000 0.273 508 G HA3 0.299 4.259 3.960 0.001 0.000 0.273 508 G C 0.870 175.806 174.900 0.060 0.000 1.053 508 G CA 0.104 45.318 45.100 0.190 0.000 0.803 508 G HN 0.514 nan 8.290 nan 0.000 0.528 509 E N 0.100 120.265 120.200 -0.058 0.000 2.118 509 E HA -0.113 4.238 4.350 0.001 0.000 0.195 509 E C 0.194 176.277 176.600 -0.861 0.000 0.992 509 E CA 1.096 57.191 56.400 -0.509 0.000 0.804 509 E CB -0.124 29.184 29.700 -0.652 0.000 0.741 509 E HN 0.564 nan 8.360 nan 0.000 0.458 510 Y N -0.346 119.702 120.300 -0.420 0.000 2.669 510 Y HA 0.430 4.981 4.550 0.001 0.000 0.302 510 Y C 0.758 176.703 175.900 0.074 0.000 1.000 510 Y CA -0.098 57.852 58.100 -0.251 0.000 1.222 510 Y CB 0.755 38.901 38.460 -0.523 0.000 1.209 510 Y HN 0.108 nan 8.280 nan 0.000 0.571 511 G N 0.604 109.528 108.800 0.207 0.000 2.698 511 G HA2 -0.371 3.589 3.960 0.001 0.000 0.233 511 G HA3 -0.371 3.589 3.960 0.001 0.000 0.233 511 G C 0.723 175.802 174.900 0.299 0.000 1.352 511 G CA 0.247 45.511 45.100 0.275 0.000 0.879 511 G HN 0.338 nan 8.290 nan 0.000 0.567 512 E N -0.455 119.871 120.200 0.210 0.000 2.209 512 E HA -0.098 4.252 4.350 0.001 0.000 0.196 512 E C 2.745 179.441 176.600 0.159 0.000 0.993 512 E CA 2.823 59.331 56.400 0.181 0.000 0.819 512 E CB -0.469 29.255 29.700 0.041 0.000 0.745 512 E HN 0.972 nan 8.360 nan 0.000 0.477 513 T N -2.616 112.036 114.554 0.164 0.000 2.867 513 T HA -0.152 4.198 4.350 0.001 0.000 0.268 513 T C 1.806 176.627 174.700 0.203 0.000 1.057 513 T CA 0.901 63.083 62.100 0.137 0.000 1.136 513 T CB -0.749 68.204 68.868 0.141 0.000 0.874 513 T HN 0.408 nan 8.240 nan 0.000 0.466 514 W N 1.539 122.889 121.300 0.083 0.000 2.418 514 W HA -0.085 4.576 4.660 0.001 0.000 0.292 514 W C 2.327 178.886 176.519 0.066 0.000 1.213 514 W CA 1.179 58.580 57.345 0.093 0.000 1.283 514 W CB -0.359 29.206 29.460 0.175 0.000 1.119 514 W HN 0.500 nan 8.180 nan 0.000 0.542 515 H N 0.764 119.921 119.070 0.145 0.000 2.293 515 H HA -0.150 4.406 4.556 0.001 0.000 0.300 515 H C 2.055 177.298 175.328 -0.143 0.000 1.082 515 H CA 1.751 57.790 56.048 -0.016 0.000 1.308 515 H CB -0.094 29.683 29.762 0.025 0.000 1.375 515 H HN 0.031 nan 8.280 nan 0.000 0.495 516 K N -0.030 120.195 120.400 -0.292 0.000 2.280 516 K HA -0.072 4.249 4.320 0.001 0.000 0.202 516 K C 2.171 178.569 176.600 -0.337 0.000 1.047 516 K CA 0.737 56.794 56.287 -0.384 0.000 0.942 516 K CB -0.091 32.266 32.500 -0.238 0.000 0.739 516 K HN 0.378 nan 8.250 nan 0.000 0.457 517 G N 0.472 109.092 108.800 -0.299 0.000 2.625 517 G HA2 -0.104 3.856 3.960 0.001 0.000 0.214 517 G HA3 -0.104 3.856 3.960 0.001 0.000 0.214 517 G C 0.788 175.429 174.900 -0.431 0.000 1.132 517 G CA 0.636 45.522 45.100 -0.357 0.000 0.782 517 G HN 0.374 nan 8.290 nan 0.000 0.538 518 G N 0.147 108.683 108.800 -0.440 0.000 4.683 518 G HA2 0.511 4.471 3.960 0.001 0.000 0.273 518 G HA3 0.511 4.471 3.960 0.001 0.000 0.273 518 G C -0.121 174.495 174.900 -0.474 0.000 1.065 518 G CA -0.266 44.553 45.100 -0.468 0.000 0.837 518 G HN 0.516 nan 8.290 nan 0.000 0.526 519 I N -3.567 116.719 120.570 -0.474 0.000 3.074 519 I HA 0.726 4.897 4.170 0.001 0.000 0.310 519 I C 0.822 176.663 176.117 -0.459 0.000 1.153 519 I CA -1.291 59.736 61.300 -0.455 0.000 0.993 519 I CB 1.492 39.181 38.000 -0.520 0.000 1.237 519 I HN 0.095 nan 8.210 nan 0.000 0.443 520 L N 0.888 121.877 121.223 -0.390 0.000 5.531 520 L HA -0.394 3.946 4.340 0.001 0.000 0.053 520 L C 1.938 178.050 176.870 -1.264 0.000 2.831 520 L CA 1.491 55.962 54.840 -0.614 0.000 1.552 520 L CB -1.837 39.918 42.059 -0.506 0.000 2.889 520 L HN 0.965 nan 8.230 nan 0.000 0.964 521 A N -0.492 121.247 122.820 -1.803 0.000 2.067 521 A HA -0.061 4.260 4.320 0.001 0.000 0.219 521 A C 1.370 178.455 177.584 -0.833 0.000 1.158 521 A CA 1.959 52.912 52.037 -1.806 0.000 0.661 521 A CB -0.545 17.826 19.000 -1.049 0.000 0.801 521 A HN 0.655 nan 8.150 nan 0.000 0.452 522 N N -0.742 117.583 118.700 -0.624 0.000 2.251 522 N HA 0.034 4.775 4.740 0.001 0.000 0.217 522 N C 1.037 176.272 175.510 -0.457 0.000 1.124 522 N CA 0.176 52.961 53.050 -0.441 0.000 0.843 522 N CB 0.659 38.922 38.487 -0.374 0.000 1.024 522 N HN 0.362 nan 8.380 nan 0.000 0.501 523 K N 1.552 121.659 120.400 -0.489 0.000 2.152 523 K HA -0.152 4.168 4.320 0.001 0.000 0.206 523 K C 1.876 178.006 176.600 -0.784 0.000 1.048 523 K CA 1.212 57.134 56.287 -0.608 0.000 0.933 523 K CB -0.018 32.148 32.500 -0.556 0.000 0.721 523 K HN -0.041 nan 8.250 nan 0.000 0.447 524 Q N 0.669 120.184 119.800 -0.474 0.000 2.297 524 Q HA -0.108 4.233 4.340 0.001 0.000 0.208 524 Q C 1.274 177.089 176.000 -0.307 0.000 0.981 524 Q CA 1.531 57.175 55.803 -0.265 0.000 0.876 524 Q CB -0.364 28.357 28.738 -0.028 0.000 0.921 524 Q HN 0.363 nan 8.270 nan 0.000 0.446 525 N N -0.798 117.684 118.700 -0.364 0.000 2.149 525 N HA -0.154 4.587 4.740 0.001 0.000 0.188 525 N C 1.530 176.840 175.510 -0.334 0.000 1.019 525 N CA 1.473 54.340 53.050 -0.305 0.000 0.857 525 N CB -0.696 37.586 38.487 -0.341 0.000 0.997 525 N HN 0.357 nan 8.380 nan 0.000 0.426 526 C N 0.425 119.399 119.300 -0.543 0.000 2.413 526 C HA -0.107 4.354 4.460 0.001 0.000 0.277 526 C C 2.470 177.279 174.990 -0.301 0.000 1.228 526 C CA 0.323 59.024 59.018 -0.528 0.000 1.731 526 C CB -1.572 25.660 27.740 -0.848 0.000 2.042 526 C HN 0.303 nan 8.230 nan 0.000 0.468 527 F N 1.673 121.539 119.950 -0.140 0.000 2.134 527 F HA -0.107 4.421 4.527 0.001 0.000 0.299 527 F C 2.172 178.002 175.800 0.050 0.000 1.097 527 F CA 1.360 59.335 58.000 -0.042 0.000 1.264 527 F CB -1.390 37.553 39.000 -0.095 0.000 1.001 527 F HN 0.246 nan 8.300 nan 0.000 0.479 528 D N 0.374 120.862 120.400 0.145 0.000 2.097 528 D HA -0.155 4.486 4.640 0.001 0.000 0.195 528 D C 1.861 178.249 176.300 0.145 0.000 0.989 528 D CA 1.543 55.613 54.000 0.116 0.000 0.827 528 D CB -0.573 40.253 40.800 0.043 0.000 0.966 528 D HN 0.185 nan 8.370 nan 0.000 0.456 529 D N -0.074 120.395 120.400 0.116 0.000 2.106 529 D HA -0.168 4.472 4.640 0.001 0.000 0.191 529 D C 1.874 178.381 176.300 0.346 0.000 0.997 529 D CA 0.577 54.707 54.000 0.215 0.000 0.834 529 D CB -0.566 40.300 40.800 0.110 0.000 0.956 529 D HN 0.139 nan 8.370 nan 0.000 0.448 530 F N 1.402 121.425 119.950 0.121 0.000 2.134 530 F HA -0.153 4.374 4.527 0.001 0.000 0.299 530 F C 2.452 178.331 175.800 0.131 0.000 1.097 530 F CA 1.361 59.429 58.000 0.114 0.000 1.264 530 F CB -0.313 38.730 39.000 0.071 0.000 1.001 530 F HN -0.043 nan 8.300 nan 0.000 0.479 531 Q N -1.238 118.702 119.800 0.233 0.000 2.084 531 Q HA -0.234 4.107 4.340 0.001 0.000 0.202 531 Q C 2.435 178.442 176.000 0.011 0.000 0.978 531 Q CA 1.941 57.832 55.803 0.147 0.000 0.844 531 Q CB -0.630 28.212 28.738 0.174 0.000 0.898 531 Q HN 0.420 nan 8.270 nan 0.000 0.426 532 C N 0.125 119.456 119.300 0.050 0.000 2.435 532 C HA -0.076 4.385 4.460 0.001 0.000 0.279 532 C C 2.821 177.635 174.990 -0.293 0.000 1.321 532 C CA 0.577 59.600 59.018 0.009 0.000 1.752 532 C CB -1.158 26.714 27.740 0.220 0.000 1.959 532 C HN 0.619 nan 8.230 nan 0.000 0.500 533 A N 0.717 123.252 122.820 -0.474 0.000 1.877 533 A HA 0.037 4.357 4.320 0.001 0.000 0.216 533 A C 2.388 179.741 177.584 -0.385 0.000 1.186 533 A CA 2.089 53.655 52.037 -0.786 0.000 0.620 533 A CB -0.937 17.758 19.000 -0.509 0.000 0.822 533 A HN 0.558 nan 8.150 nan 0.000 0.443 534 A N -0.176 122.471 122.820 -0.288 0.000 1.902 534 A HA -0.192 4.129 4.320 0.001 0.000 0.217 534 A C 1.909 179.423 177.584 -0.116 0.000 1.181 534 A CA 1.700 53.643 52.037 -0.157 0.000 0.623 534 A CB -0.576 18.388 19.000 -0.060 0.000 0.818 534 A HN 0.647 nan 8.150 nan 0.000 0.443 535 E N -1.810 118.318 120.200 -0.119 0.000 2.153 535 E HA -0.208 4.143 4.350 0.001 0.000 0.194 535 E C 1.831 178.409 176.600 -0.036 0.000 0.988 535 E CA 1.406 57.759 56.400 -0.078 0.000 0.811 535 E CB -0.289 29.379 29.700 -0.054 0.000 0.746 535 E HN 0.823 nan 8.360 nan 0.000 0.466 536 Y N 1.370 121.563 120.300 -0.179 0.000 2.163 536 Y HA -0.161 4.389 4.550 0.001 0.000 0.288 536 Y C 1.915 177.801 175.900 -0.024 0.000 1.136 536 Y CA 1.274 59.301 58.100 -0.121 0.000 1.147 536 Y CB -0.144 38.164 38.460 -0.253 0.000 0.987 536 Y HN -0.074 nan 8.280 nan 0.000 0.509 537 L N -0.332 120.971 121.223 0.134 0.000 2.083 537 L HA -0.241 4.100 4.340 0.001 0.000 0.209 537 L C 2.339 179.282 176.870 0.122 0.000 1.083 537 L CA 1.456 56.400 54.840 0.173 0.000 0.752 537 L CB -0.538 41.584 42.059 0.105 0.000 0.899 537 L HN 0.308 nan 8.230 nan 0.000 0.433 538 I N -0.397 120.183 120.570 0.018 0.000 2.193 538 I HA -0.247 3.924 4.170 0.001 0.000 0.240 538 I C 2.657 178.739 176.117 -0.058 0.000 1.084 538 I CA 0.910 62.201 61.300 -0.015 0.000 1.365 538 I CB -0.192 37.780 38.000 -0.047 0.000 1.064 538 I HN 0.125 nan 8.210 nan 0.000 0.410 539 K N 1.278 121.619 120.400 -0.097 0.000 2.063 539 K HA -0.186 4.135 4.320 0.001 0.000 0.208 539 K C 1.825 178.325 176.600 -0.166 0.000 1.048 539 K CA 1.604 57.817 56.287 -0.124 0.000 0.928 539 K CB -0.175 32.247 32.500 -0.130 0.000 0.713 539 K HN 0.136 nan 8.250 nan 0.000 0.442 540 E N -0.671 119.379 120.200 -0.249 0.000 2.511 540 E HA 0.045 4.395 4.350 0.001 0.000 0.196 540 E C 0.824 177.269 176.600 -0.258 0.000 1.066 540 E CA 0.854 57.092 56.400 -0.270 0.000 0.871 540 E CB -0.047 29.427 29.700 -0.377 0.000 0.863 540 E HN 0.549 nan 8.360 nan 0.000 0.520 541 G N 0.744 109.447 108.800 -0.161 0.000 2.136 541 G HA2 -0.334 3.626 3.960 0.001 0.000 0.242 541 G HA3 -0.334 3.626 3.960 0.001 0.000 0.242 541 G C 0.609 175.418 174.900 -0.151 0.000 0.989 541 G CA 0.432 45.438 45.100 -0.157 0.000 0.682 541 G HN 0.322 nan 8.290 nan 0.000 0.522 542 Y N -0.138 120.165 120.300 0.004 0.000 2.337 542 Y HA 0.374 4.925 4.550 0.001 0.000 0.293 542 Y C 2.044 178.028 175.900 0.140 0.000 1.123 542 Y CA 1.906 60.047 58.100 0.069 0.000 1.201 542 Y CB 0.414 38.906 38.460 0.053 0.000 1.011 542 Y HN 0.420 nan 8.280 nan 0.000 0.545 543 T N -2.322 112.363 114.554 0.218 0.000 2.637 543 T HA 0.598 4.948 4.350 0.001 0.000 0.303 543 T C -1.333 173.407 174.700 0.067 0.000 1.288 543 T CA -0.653 61.540 62.100 0.154 0.000 1.040 543 T CB 1.049 70.034 68.868 0.195 0.000 1.644 543 T HN -0.142 nan 8.240 nan 0.000 0.480 544 S N 0.873 116.605 115.700 0.053 0.000 2.588 544 S HA 0.512 4.982 4.470 0.001 0.000 0.275 544 S C -2.190 172.420 174.600 0.016 0.000 1.130 544 S CA -0.950 57.257 58.200 0.012 0.000 0.855 544 S CB 1.981 65.179 63.200 -0.003 0.000 1.116 544 S HN 0.533 nan 8.310 nan 0.000 0.472 545 P HA -0.231 nan 4.420 nan 0.000 0.215 545 P C 1.270 178.578 177.300 0.014 0.000 1.163 545 P CA 1.562 64.634 63.100 -0.047 0.000 0.894 545 P CB 0.001 31.647 31.700 -0.091 0.000 0.791 546 K N -0.223 120.189 120.400 0.019 0.000 2.362 546 K HA -0.072 4.248 4.320 0.001 0.000 0.200 546 K C 1.449 178.094 176.600 0.075 0.000 1.046 546 K CA 1.158 57.472 56.287 0.044 0.000 0.952 546 K CB -0.236 32.281 32.500 0.029 0.000 0.753 546 K HN 0.120 nan 8.250 nan 0.000 0.466 547 R N 0.552 121.105 120.500 0.088 0.000 2.472 547 R HA 0.216 4.557 4.340 0.001 0.000 0.279 547 R C -0.452 175.958 176.300 0.184 0.000 0.953 547 R CA -0.440 55.739 56.100 0.132 0.000 1.088 547 R CB 0.324 30.694 30.300 0.117 0.000 1.197 547 R HN 0.070 nan 8.270 nan 0.000 0.536 548 L N 1.080 122.402 121.223 0.165 0.000 2.275 548 L HA 0.356 4.697 4.340 0.001 0.000 0.288 548 L C -0.699 176.292 176.870 0.202 0.000 1.046 548 L CA 0.297 55.254 54.840 0.195 0.000 0.805 548 L CB 1.813 43.976 42.059 0.173 0.000 1.193 548 L HN -0.136 nan 8.230 nan 0.000 0.426 549 T N 6.674 121.325 114.554 0.162 0.000 2.823 549 T HA 0.629 4.979 4.350 0.001 0.000 0.279 549 T C -0.246 174.377 174.700 -0.128 0.000 0.998 549 T CA -0.274 61.856 62.100 0.051 0.000 0.994 549 T CB 0.957 69.864 68.868 0.065 0.000 0.960 549 T HN 0.600 nan 8.240 nan 0.000 0.448 550 I N 1.134 121.586 120.570 -0.196 0.000 2.603 550 I HA 0.718 4.889 4.170 0.001 0.000 0.300 550 I C -0.499 175.424 176.117 -0.324 0.000 1.017 550 I CA -0.788 60.357 61.300 -0.258 0.000 1.098 550 I CB 2.002 39.856 38.000 -0.243 0.000 1.279 550 I HN 0.501 nan 8.210 nan 0.000 0.437 551 N N 2.985 121.482 118.700 -0.339 0.000 2.308 551 N HA 0.722 5.462 4.740 0.001 0.000 0.283 551 N C -1.331 174.035 175.510 -0.240 0.000 1.105 551 N CA -0.368 52.518 53.050 -0.273 0.000 0.840 551 N CB 2.788 41.047 38.487 -0.380 0.000 1.633 551 N HN 1.101 nan 8.380 nan 0.000 0.476 552 G N 0.004 108.687 108.800 -0.195 0.000 2.646 552 G HA2 0.630 4.590 3.960 0.001 0.000 0.291 552 G HA3 0.630 4.590 3.960 0.001 0.000 0.291 552 G C -1.520 173.332 174.900 -0.080 0.000 1.445 552 G CA -0.624 44.303 45.100 -0.287 0.000 0.814 552 G HN 0.578 nan 8.290 nan 0.000 0.495 553 G N -0.924 107.876 108.800 -0.000 0.000 2.617 553 G HA2 0.838 4.798 3.960 0.001 0.000 0.306 553 G HA3 0.838 4.798 3.960 0.001 0.000 0.306 553 G C 0.491 175.417 174.900 0.044 0.000 1.360 553 G CA 1.146 46.256 45.100 0.016 0.000 0.983 553 G HN 2.269 nan 8.290 nan 0.000 0.496 554 A N 2.581 125.396 122.820 -0.010 0.000 5.090 554 A HA -0.344 3.976 4.320 0.001 0.000 0.306 554 A C 2.048 179.567 177.584 -0.108 0.000 1.990 554 A CA 2.108 54.150 52.037 0.007 0.000 0.714 554 A CB -1.554 17.535 19.000 0.148 0.000 1.281 554 A HN 1.835 nan 8.150 nan 0.000 0.362 555 N N 0.775 119.389 118.700 -0.143 0.000 2.289 555 N HA 0.088 4.829 4.740 0.001 0.000 0.184 555 N C 1.574 176.871 175.510 -0.355 0.000 1.016 555 N CA 2.719 55.603 53.050 -0.276 0.000 0.872 555 N CB -0.637 37.591 38.487 -0.431 0.000 0.973 555 N HN 1.083 nan 8.380 nan 0.000 0.433 556 G N -1.074 107.571 108.800 -0.259 0.000 2.511 556 G HA2 -0.044 3.916 3.960 0.001 0.000 0.217 556 G HA3 -0.044 3.916 3.960 0.001 0.000 0.217 556 G C 1.414 176.169 174.900 -0.241 0.000 1.133 556 G CA 0.490 45.433 45.100 -0.261 0.000 0.792 556 G HN 0.423 nan 8.290 nan 0.000 0.539 557 G N 1.122 109.825 108.800 -0.160 0.000 2.402 557 G HA2 -0.111 3.850 3.960 0.001 0.000 0.216 557 G HA3 -0.111 3.850 3.960 0.001 0.000 0.216 557 G C 1.717 176.509 174.900 -0.179 0.000 1.162 557 G CA 1.002 46.016 45.100 -0.144 0.000 0.777 557 G HN 0.415 nan 8.290 nan 0.000 0.539 558 L N 0.379 121.487 121.223 -0.192 0.000 2.042 558 L HA 0.010 4.350 4.340 0.001 0.000 0.210 558 L C 2.494 179.280 176.870 -0.140 0.000 1.076 558 L CA 1.775 56.504 54.840 -0.185 0.000 0.749 558 L CB -0.705 41.259 42.059 -0.159 0.000 0.893 558 L HN 0.185 nan 8.230 nan 0.000 0.432 559 L N -0.399 120.744 121.223 -0.134 0.000 1.970 559 L HA -0.161 4.179 4.340 0.001 0.000 0.212 559 L C 2.598 179.344 176.870 -0.207 0.000 1.071 559 L CA 2.429 57.204 54.840 -0.109 0.000 0.751 559 L CB -0.879 40.944 42.059 -0.393 0.000 0.889 559 L HN 0.353 nan 8.230 nan 0.000 0.432 560 V N -2.532 117.220 119.914 -0.269 0.000 2.548 560 V HA -0.030 4.091 4.120 0.001 0.000 0.249 560 V C 2.430 178.422 176.094 -0.170 0.000 1.055 560 V CA 1.322 63.483 62.300 -0.231 0.000 1.065 560 V CB -1.656 30.030 31.823 -0.229 0.000 0.681 560 V HN 0.452 nan 8.190 nan 0.000 0.462 561 A N 0.838 123.575 122.820 -0.138 0.000 1.898 561 A HA -0.109 4.211 4.320 0.001 0.000 0.216 561 A C 2.342 179.874 177.584 -0.087 0.000 1.181 561 A CA 2.429 54.440 52.037 -0.044 0.000 0.620 561 A CB -1.246 17.642 19.000 -0.186 0.000 0.819 561 A HN 0.546 nan 8.150 nan 0.000 0.442 562 T N -0.805 113.592 114.554 -0.261 0.000 2.777 562 T HA -0.171 4.179 4.350 0.001 0.000 0.266 562 T C 1.878 176.418 174.700 -0.266 0.000 1.040 562 T CA 1.560 63.423 62.100 -0.396 0.000 1.141 562 T CB -0.639 67.609 68.868 -1.034 0.000 0.868 562 T HN 0.554 nan 8.240 nan 0.000 0.444 563 C N 1.625 120.811 119.300 -0.190 0.000 2.422 563 C HA 0.090 4.551 4.460 0.001 0.000 0.279 563 C C 3.176 178.210 174.990 0.074 0.000 1.305 563 C CA 0.298 59.319 59.018 0.004 0.000 1.757 563 C CB -1.424 26.343 27.740 0.044 0.000 1.962 563 C HN 0.654 nan 8.230 nan 0.000 0.499 564 A N 1.150 123.945 122.820 -0.042 0.000 1.898 564 A HA -0.150 4.170 4.320 0.001 0.000 0.216 564 A C 1.951 179.425 177.584 -0.183 0.000 1.181 564 A CA 1.740 53.754 52.037 -0.039 0.000 0.620 564 A CB -0.501 18.500 19.000 0.003 0.000 0.819 564 A HN 0.628 nan 8.150 nan 0.000 0.442 565 N N -0.069 118.599 118.700 -0.054 0.000 2.142 565 N HA -0.134 4.607 4.740 0.001 0.000 0.186 565 N C 1.928 177.413 175.510 -0.041 0.000 1.023 565 N CA 1.589 54.632 53.050 -0.011 0.000 0.852 565 N CB -0.429 38.125 38.487 0.112 0.000 0.998 565 N HN 0.662 nan 8.380 nan 0.000 0.424 566 Q N -0.323 119.462 119.800 -0.025 0.000 2.123 566 Q HA 0.093 4.434 4.340 0.001 0.000 0.199 566 Q C 0.135 176.140 176.000 0.008 0.000 0.966 566 Q CA 0.847 56.651 55.803 0.001 0.000 0.845 566 Q CB 0.401 29.140 28.738 0.003 0.000 0.907 566 Q HN 0.059 nan 8.270 nan 0.000 0.439 567 R N 0.242 120.765 120.500 0.038 0.000 2.674 567 R HA 0.178 4.518 4.340 0.001 0.000 0.270 567 R C -2.191 174.082 176.300 -0.044 0.000 1.492 567 R CA -1.503 54.589 56.100 -0.014 0.000 1.624 567 R CB 0.719 31.002 30.300 -0.028 0.000 1.307 567 R HN 0.130 nan 8.270 nan 0.000 0.683 568 P HA -0.177 nan 4.420 nan 0.000 0.219 568 P C 0.614 177.853 177.300 -0.103 0.000 1.146 568 P CA 1.216 64.224 63.100 -0.153 0.000 0.808 568 P CB 0.289 31.766 31.700 -0.372 0.000 0.779 569 D N -0.489 119.829 120.400 -0.137 0.000 2.312 569 D HA -0.111 4.530 4.640 0.001 0.000 0.211 569 D C 1.770 177.922 176.300 -0.248 0.000 0.964 569 D CA 0.404 54.320 54.000 -0.140 0.000 0.877 569 D CB -0.676 40.056 40.800 -0.113 0.000 0.924 569 D HN 0.141 nan 8.370 nan 0.000 0.515 570 L N -0.733 120.193 121.223 -0.496 0.000 2.509 570 L HA 0.240 4.580 4.340 0.001 0.000 0.222 570 L C -0.334 175.956 176.870 -0.967 0.000 1.123 570 L CA 0.478 54.811 54.840 -0.845 0.000 0.856 570 L CB -0.098 41.201 42.059 -1.267 0.000 0.985 570 L HN -0.168 nan 8.230 nan 0.000 0.456 571 F N -2.750 117.181 119.950 -0.033 0.000 2.577 571 F HA 0.597 5.125 4.527 0.001 0.000 0.318 571 F C 1.233 177.037 175.800 0.008 0.000 1.065 571 F CA -0.597 57.394 58.000 -0.014 0.000 0.929 571 F CB 1.073 40.064 39.000 -0.015 0.000 1.237 571 F HN -0.316 nan 8.300 nan 0.000 0.468 572 G N -0.840 108.097 108.800 0.227 0.000 2.673 572 G HA2 0.193 4.154 3.960 0.001 0.000 0.208 572 G HA3 0.193 4.154 3.960 0.001 0.000 0.208 572 G C -0.544 174.449 174.900 0.155 0.000 1.128 572 G CA 0.294 45.484 45.100 0.151 0.000 0.805 572 G HN 0.653 nan 8.290 nan 0.000 0.526 573 C N 0.014 119.417 119.300 0.173 0.000 2.880 573 C HA 0.730 5.191 4.460 0.001 0.000 0.320 573 C C -1.385 173.678 174.990 0.121 0.000 1.176 573 C CA -0.600 58.519 59.018 0.167 0.000 1.390 573 C CB 1.191 29.022 27.740 0.151 0.000 1.846 573 C HN 0.094 nan 8.230 nan 0.000 0.478 574 V N 6.220 126.216 119.914 0.136 0.000 2.525 574 V HA 0.525 4.646 4.120 0.001 0.000 0.299 574 V C -0.533 175.579 176.094 0.030 0.000 1.034 574 V CA -0.233 62.077 62.300 0.016 0.000 0.863 574 V CB 1.694 33.511 31.823 -0.011 0.000 0.999 574 V HN 0.736 nan 8.190 nan 0.000 0.423 575 I N 4.341 124.883 120.570 -0.046 0.000 2.390 575 I HA 0.669 4.839 4.170 0.001 0.000 0.283 575 I C 0.254 176.326 176.117 -0.076 0.000 1.016 575 I CA -0.491 60.767 61.300 -0.071 0.000 1.151 575 I CB 1.712 39.670 38.000 -0.070 0.000 1.293 575 I HN 0.667 nan 8.210 nan 0.000 0.458 576 A N 6.657 129.443 122.820 -0.056 0.000 2.256 576 A HA 0.583 4.903 4.320 0.001 0.000 0.317 576 A C -0.418 177.147 177.584 -0.032 0.000 1.318 576 A CA -0.479 51.532 52.037 -0.043 0.000 0.894 576 A CB 0.515 19.514 19.000 -0.002 0.000 1.165 576 A HN 0.710 nan 8.150 nan 0.000 0.525 577 Q N 1.458 121.238 119.800 -0.034 0.000 2.257 577 Q HA 0.430 4.770 4.340 0.001 0.000 0.255 577 Q C 0.550 176.529 176.000 -0.034 0.000 0.920 577 Q CA -0.347 55.440 55.803 -0.028 0.000 0.927 577 Q CB 2.028 30.752 28.738 -0.023 0.000 1.229 577 Q HN 1.495 nan 8.270 nan 0.000 0.433 578 V N -0.112 119.796 119.914 -0.009 0.000 5.257 578 V HA -0.247 3.874 4.120 0.001 0.000 0.265 578 V C 0.328 176.446 176.094 0.041 0.000 0.646 578 V CA 0.885 63.207 62.300 0.037 0.000 0.650 578 V CB -2.368 29.452 31.823 -0.004 0.000 0.424 578 V HN 0.840 nan 8.190 nan 0.000 0.862 579 G N -0.319 108.477 108.800 -0.007 0.000 2.503 579 G HA2 0.536 4.496 3.960 0.001 0.000 0.257 579 G HA3 0.536 4.496 3.960 0.001 0.000 0.257 579 G C -0.252 174.552 174.900 -0.159 0.000 1.214 579 G CA -0.209 44.841 45.100 -0.082 0.000 0.839 579 G HN 1.183 nan 8.290 nan 0.000 0.559 580 V N 3.552 123.300 119.914 -0.277 0.000 2.372 580 V HA 0.100 4.220 4.120 0.001 0.000 0.261 580 V C 0.637 176.543 176.094 -0.314 0.000 1.055 580 V CA -0.279 61.735 62.300 -0.476 0.000 0.930 580 V CB 1.118 32.686 31.823 -0.426 0.000 1.031 580 V HN 0.701 nan 8.190 nan 0.000 0.479 581 M N 1.291 120.796 119.600 -0.159 0.000 2.571 581 M HA 0.263 4.743 4.480 0.001 0.000 0.259 581 M C 0.621 176.923 176.300 0.003 0.000 1.205 581 M CA 0.434 55.625 55.300 -0.183 0.000 1.138 581 M CB -0.186 32.221 32.600 -0.323 0.000 1.329 581 M HN 0.543 nan 8.290 nan 0.000 0.503 582 D N 1.564 122.201 120.400 0.395 0.000 2.467 582 D HA 0.217 4.858 4.640 0.001 0.000 0.220 582 D C 0.709 177.287 176.300 0.464 0.000 1.103 582 D CA -0.025 54.183 54.000 0.346 0.000 0.886 582 D CB 0.851 41.814 40.800 0.272 0.000 1.025 582 D HN -0.042 nan 8.370 nan 0.000 0.514 583 M N 2.994 122.782 119.600 0.313 0.000 2.619 583 M HA 0.025 4.506 4.480 0.001 0.000 0.251 583 M C 1.511 178.051 176.300 0.399 0.000 1.106 583 M CA 0.423 55.940 55.300 0.362 0.000 1.086 583 M CB -0.109 32.482 32.600 -0.016 0.000 1.465 583 M HN 0.468 nan 8.290 nan 0.000 0.506 584 L N -0.796 120.580 121.223 0.255 0.000 2.375 584 L HA -0.055 4.286 4.340 0.001 0.000 0.215 584 L C 1.591 178.604 176.870 0.239 0.000 1.108 584 L CA 0.764 55.686 54.840 0.137 0.000 0.830 584 L CB -0.099 41.875 42.059 -0.141 0.000 0.959 584 L HN 0.248 nan 8.230 nan 0.000 0.457 585 K N -0.553 119.975 120.400 0.213 0.000 2.438 585 K HA 0.100 4.420 4.320 0.001 0.000 0.206 585 K C 1.540 178.069 176.600 -0.119 0.000 1.081 585 K CA -0.098 56.171 56.287 -0.031 0.000 1.053 585 K CB 0.442 33.012 32.500 0.117 0.000 0.908 585 K HN 0.088 nan 8.250 nan 0.000 0.556 586 F N 1.831 121.964 119.950 0.306 0.000 2.154 586 F HA -0.254 4.273 4.527 0.001 0.000 0.301 586 F C 2.108 177.966 175.800 0.097 0.000 1.087 586 F CA 1.415 59.682 58.000 0.444 0.000 1.274 586 F CB -1.017 38.328 39.000 0.575 0.000 1.009 586 F HN 0.146 nan 8.300 nan 0.000 0.485 587 H N 0.714 119.357 119.070 -0.712 0.000 2.545 587 H HA 0.060 4.617 4.556 0.001 0.000 0.282 587 H C 1.080 176.214 175.328 -0.324 0.000 1.020 587 H CA 1.200 56.964 56.048 -0.473 0.000 1.243 587 H CB -0.683 28.725 29.762 -0.591 0.000 1.377 587 H HN 0.437 nan 8.280 nan 0.000 0.581 588 K N 0.184 120.001 120.400 -0.971 0.000 2.418 588 K HA 0.060 4.381 4.320 0.001 0.000 0.195 588 K C -0.431 175.710 176.600 -0.766 0.000 1.035 588 K CA 0.277 56.018 56.287 -0.911 0.000 1.003 588 K CB 0.256 32.023 32.500 -1.221 0.000 0.793 588 K HN 0.219 nan 8.250 nan 0.000 0.494 589 Y N 0.829 121.064 120.300 -0.109 0.000 2.446 589 Y HA 0.086 4.636 4.550 0.001 0.000 0.338 589 Y C 1.439 177.289 175.900 -0.083 0.000 1.055 589 Y CA -1.049 57.018 58.100 -0.056 0.000 1.101 589 Y CB 1.125 39.578 38.460 -0.012 0.000 1.221 589 Y HN 0.171 nan 8.280 nan 0.000 0.460 590 T N -0.457 114.157 114.554 0.101 0.000 11.819 590 T HA -0.404 3.946 4.350 0.001 0.000 0.359 590 T C 0.854 175.487 174.700 -0.110 0.000 1.503 590 T CA 1.809 63.910 62.100 0.002 0.000 2.035 590 T CB -1.116 67.763 68.868 0.018 0.000 2.410 590 T HN 0.607 nan 8.240 nan 0.000 0.441 591 I N 2.655 123.098 120.570 -0.212 0.000 3.861 591 I HA 0.466 4.636 4.170 0.001 0.000 0.329 591 I C 2.234 177.765 176.117 -0.978 0.000 1.321 591 I CA 0.592 61.595 61.300 -0.495 0.000 1.126 591 I CB -0.692 37.134 38.000 -0.291 0.000 1.018 591 I HN 0.755 nan 8.210 nan 0.000 0.407 592 G N 0.433 108.655 108.800 -0.963 0.000 2.475 592 G HA2 -0.359 3.602 3.960 0.001 0.000 0.220 592 G HA3 -0.359 3.602 3.960 0.001 0.000 0.220 592 G C 1.446 175.929 174.900 -0.696 0.000 1.125 592 G CA 1.364 45.628 45.100 -1.394 0.000 0.755 592 G HN 0.697 nan 8.290 nan 0.000 0.565 593 H N -0.159 118.732 119.070 -0.298 0.000 2.489 593 H HA 0.285 4.841 4.556 0.001 0.000 0.295 593 H C 2.320 177.617 175.328 -0.052 0.000 1.082 593 H CA 1.110 57.109 56.048 -0.081 0.000 1.295 593 H CB -0.588 29.138 29.762 -0.060 0.000 1.380 593 H HN 0.292 nan 8.280 nan 0.000 0.548 594 A N 0.648 123.201 122.820 -0.445 0.000 2.066 594 A HA -0.053 4.267 4.320 0.001 0.000 0.218 594 A C 1.163 178.832 177.584 0.142 0.000 1.157 594 A CA 0.817 52.766 52.037 -0.146 0.000 0.670 594 A CB -0.732 18.089 19.000 -0.299 0.000 0.804 594 A HN 0.584 nan 8.150 nan 0.000 0.453 595 W N 0.836 122.242 121.300 0.176 0.000 3.180 595 W HA 0.068 4.728 4.660 0.001 0.000 0.254 595 W C 1.956 178.596 176.519 0.202 0.000 1.318 595 W CA 0.866 58.323 57.345 0.186 0.000 1.608 595 W CB -1.740 27.779 29.460 0.097 0.000 1.124 595 W HN 0.528 nan 8.180 nan 0.000 0.694 596 T N -2.552 112.302 114.554 0.499 0.000 3.007 596 T HA -0.177 4.173 4.350 0.001 0.000 0.270 596 T C 1.739 176.575 174.700 0.227 0.000 1.107 596 T CA 1.834 64.205 62.100 0.451 0.000 1.118 596 T CB -0.678 68.405 68.868 0.359 0.000 0.889 596 T HN 0.151 nan 8.240 nan 0.000 0.506 597 T N -0.795 113.846 114.554 0.145 0.000 2.915 597 T HA -0.048 4.303 4.350 0.001 0.000 0.269 597 T C 1.411 176.057 174.700 -0.090 0.000 1.071 597 T CA 1.291 63.415 62.100 0.040 0.000 1.132 597 T CB -0.357 68.536 68.868 0.042 0.000 0.878 597 T HN 0.307 nan 8.240 nan 0.000 0.479 598 D N -0.213 120.040 120.400 -0.244 0.000 2.323 598 D HA 0.155 4.796 4.640 0.001 0.000 0.218 598 D C 1.204 177.317 176.300 -0.311 0.000 0.973 598 D CA 0.560 54.228 54.000 -0.553 0.000 0.890 598 D CB 0.053 40.007 40.800 -1.411 0.000 1.011 598 D HN 0.441 nan 8.370 nan 0.000 0.499 599 Y N -0.106 120.190 120.300 -0.007 0.000 2.524 599 Y HA 0.424 4.974 4.550 0.001 0.000 0.270 599 Y C 1.523 177.569 175.900 0.244 0.000 1.094 599 Y CA 0.306 58.477 58.100 0.118 0.000 1.276 599 Y CB 0.038 38.577 38.460 0.131 0.000 1.130 599 Y HN -0.048 nan 8.280 nan 0.000 0.536 600 G N -0.330 108.676 108.800 0.343 0.000 2.685 600 G HA2 -0.143 3.817 3.960 0.001 0.000 0.387 600 G HA3 -0.143 3.817 3.960 0.001 0.000 0.387 600 G C -1.128 174.041 174.900 0.448 0.000 1.324 600 G CA -0.963 44.206 45.100 0.115 0.000 0.878 600 G HN 0.475 nan 8.290 nan 0.000 0.527 601 C N -0.139 119.446 119.300 0.476 0.000 2.686 601 C HA 0.758 5.219 4.460 0.001 0.000 0.318 601 C C 1.964 177.012 174.990 0.098 0.000 1.160 601 C CA 0.746 59.844 59.018 0.135 0.000 1.396 601 C CB 0.912 28.619 27.740 -0.056 0.000 1.924 601 C HN 2.143 nan 8.230 nan 0.000 0.471 602 S N 1.786 117.502 115.700 0.027 0.000 2.500 602 S HA -0.129 4.341 4.470 0.001 0.000 0.239 602 S C 0.864 175.634 174.600 0.283 0.000 0.989 602 S CA 1.689 60.035 58.200 0.243 0.000 0.951 602 S CB -0.297 63.119 63.200 0.360 0.000 0.759 602 S HN 0.867 nan 8.310 nan 0.000 0.523 603 D N 1.820 122.246 120.400 0.043 0.000 2.264 603 D HA 0.028 4.669 4.640 0.001 0.000 0.208 603 D C 0.837 177.183 176.300 0.075 0.000 0.966 603 D CA 0.803 54.840 54.000 0.063 0.000 0.864 603 D CB -0.166 40.590 40.800 -0.074 0.000 0.933 603 D HN 0.524 nan 8.370 nan 0.000 0.499 604 S N 0.091 115.728 115.700 -0.105 0.000 2.457 604 S HA 0.236 4.706 4.470 0.001 0.000 0.289 604 S C 1.032 175.310 174.600 -0.537 0.000 1.163 604 S CA -0.776 57.194 58.200 -0.383 0.000 1.078 604 S CB 1.992 64.760 63.200 -0.721 0.000 0.987 604 S HN -0.190 nan 8.310 nan 0.000 0.482 605 K N 4.113 124.005 120.400 -0.847 0.000 2.044 605 K HA -0.202 4.118 4.320 0.001 0.000 0.210 605 K C 2.066 178.429 176.600 -0.396 0.000 1.049 605 K CA 2.439 58.239 56.287 -0.811 0.000 0.927 605 K CB -0.613 31.547 32.500 -0.567 0.000 0.713 605 K HN 0.818 nan 8.250 nan 0.000 0.443 606 Q N -0.548 118.993 119.800 -0.432 0.000 2.061 606 Q HA -0.226 4.115 4.340 0.001 0.000 0.204 606 Q C 1.969 177.464 176.000 -0.842 0.000 0.984 606 Q CA 2.046 57.558 55.803 -0.485 0.000 0.846 606 Q CB -0.217 28.288 28.738 -0.390 0.000 0.902 606 Q HN 0.721 nan 8.270 nan 0.000 0.421 607 H N -1.259 117.283 119.070 -0.880 0.000 2.357 607 H HA -0.127 4.429 4.556 0.001 0.000 0.301 607 H C 1.921 176.988 175.328 -0.434 0.000 1.082 607 H CA 0.809 56.311 56.048 -0.910 0.000 1.342 607 H CB -0.134 29.410 29.762 -0.363 0.000 1.389 607 H HN 0.310 nan 8.280 nan 0.000 0.511 608 F N 2.556 122.367 119.950 -0.232 0.000 2.120 608 F HA -0.220 4.308 4.527 0.001 0.000 0.300 608 F C 2.150 177.836 175.800 -0.189 0.000 1.095 608 F CA 1.285 59.195 58.000 -0.149 0.000 1.249 608 F CB -0.015 38.974 39.000 -0.017 0.000 0.995 608 F HN 0.024 nan 8.300 nan 0.000 0.480 609 E N -0.270 119.781 120.200 -0.248 0.000 2.204 609 E HA -0.211 4.139 4.350 0.001 0.000 0.195 609 E C 2.121 178.642 176.600 -0.131 0.000 0.990 609 E CA 1.195 57.453 56.400 -0.237 0.000 0.821 609 E CB -0.633 29.012 29.700 -0.090 0.000 0.750 609 E HN 0.566 nan 8.360 nan 0.000 0.477 610 W N 0.768 122.012 121.300 -0.094 0.000 2.444 610 W HA 0.070 4.730 4.660 0.001 0.000 0.308 610 W C 2.296 178.722 176.519 -0.156 0.000 1.183 610 W CA 0.076 57.405 57.345 -0.026 0.000 1.340 610 W CB -1.301 28.202 29.460 0.071 0.000 1.138 610 W HN 0.033 nan 8.180 nan 0.000 0.510 611 L N 0.049 121.233 121.223 -0.065 0.000 2.012 611 L HA -0.243 4.098 4.340 0.001 0.000 0.210 611 L C 2.395 178.851 176.870 -0.692 0.000 1.073 611 L CA 1.186 55.732 54.840 -0.489 0.000 0.748 611 L CB -1.137 40.757 42.059 -0.275 0.000 0.891 611 L HN -0.138 nan 8.230 nan 0.000 0.431 612 I N -0.117 119.998 120.570 -0.758 0.000 2.567 612 I HA -0.240 3.931 4.170 0.001 0.000 0.257 612 I C 2.304 178.184 176.117 -0.395 0.000 1.184 612 I CA 1.510 62.358 61.300 -0.754 0.000 1.451 612 I CB -0.362 36.898 38.000 -1.234 0.000 1.089 612 I HN 0.122 nan 8.210 nan 0.000 0.441 613 K N -0.579 119.662 120.400 -0.265 0.000 2.217 613 K HA -0.140 4.181 4.320 0.001 0.000 0.202 613 K C 1.314 177.934 176.600 0.033 0.000 1.051 613 K CA 1.776 58.031 56.287 -0.054 0.000 0.952 613 K CB -0.120 32.421 32.500 0.068 0.000 0.736 613 K HN 0.636 nan 8.250 nan 0.000 0.453 614 Y N -2.606 117.668 120.300 -0.045 0.000 2.499 614 Y HA 0.332 4.882 4.550 0.001 0.000 0.253 614 Y C 0.392 176.211 175.900 -0.136 0.000 1.105 614 Y CA -0.816 57.221 58.100 -0.105 0.000 1.240 614 Y CB -0.052 38.375 38.460 -0.056 0.000 1.289 614 Y HN -0.265 nan 8.280 nan 0.000 0.534 615 S N 3.925 119.398 115.700 -0.379 0.000 2.737 615 S HA 0.037 4.508 4.470 0.001 0.000 0.315 615 S C -1.422 173.139 174.600 -0.066 0.000 1.236 615 S CA -0.684 57.403 58.200 -0.189 0.000 1.093 615 S CB 0.574 63.761 63.200 -0.021 0.000 0.832 615 S HN 0.237 nan 8.310 nan 0.000 0.507 616 P HA -0.129 nan 4.420 nan 0.000 0.215 616 P C 1.543 178.762 177.300 -0.135 0.000 1.157 616 P CA 0.535 63.475 63.100 -0.267 0.000 0.874 616 P CB 0.048 31.315 31.700 -0.723 0.000 0.790 617 L N -1.214 119.869 121.223 -0.233 0.000 2.261 617 L HA -0.154 4.186 4.340 0.001 0.000 0.216 617 L C 1.148 177.831 176.870 -0.310 0.000 1.114 617 L CA 2.039 56.767 54.840 -0.187 0.000 0.777 617 L CB -1.184 40.651 42.059 -0.373 0.000 0.910 617 L HN 0.114 nan 8.230 nan 0.000 0.440 618 H N -1.874 117.224 119.070 0.048 0.000 2.542 618 H HA 0.355 4.911 4.556 0.001 0.000 0.283 618 H C 0.413 175.769 175.328 0.048 0.000 1.059 618 H CA 0.045 56.117 56.048 0.039 0.000 1.162 618 H CB 0.045 29.788 29.762 -0.032 0.000 1.539 618 H HN 0.257 nan 8.280 nan 0.000 0.543 619 N N 0.599 119.384 118.700 0.143 0.000 2.387 619 N HA 0.087 4.828 4.740 0.001 0.000 0.259 619 N C -0.859 174.763 175.510 0.187 0.000 1.369 619 N CA 0.127 53.259 53.050 0.137 0.000 0.867 619 N CB 1.966 40.506 38.487 0.088 0.000 1.341 619 N HN -0.015 nan 8.380 nan 0.000 0.495 620 V N 1.635 121.665 119.914 0.194 0.000 2.455 620 V HA 0.234 4.354 4.120 0.001 0.000 0.273 620 V C 0.368 176.538 176.094 0.128 0.000 1.045 620 V CA 0.173 62.584 62.300 0.186 0.000 0.976 620 V CB 0.900 32.765 31.823 0.070 0.000 0.993 620 V HN 0.104 nan 8.190 nan 0.000 0.475 621 K N 4.723 125.232 120.400 0.182 0.000 2.523 621 K HA 0.525 4.845 4.320 0.001 0.000 0.257 621 K C -1.139 175.565 176.600 0.173 0.000 0.932 621 K CA -0.891 55.476 56.287 0.132 0.000 0.812 621 K CB 1.869 34.452 32.500 0.138 0.000 1.326 621 K HN 0.524 nan 8.250 nan 0.000 0.433 622 L N 4.488 125.760 121.223 0.082 0.000 2.499 622 L HA 0.193 4.533 4.340 0.001 0.000 0.273 622 L C -1.966 174.988 176.870 0.140 0.000 1.195 622 L CA -1.656 53.239 54.840 0.092 0.000 0.882 622 L CB 0.236 42.312 42.059 0.028 0.000 1.133 622 L HN 0.511 nan 8.230 nan 0.000 0.483 623 P HA 0.003 nan 4.420 nan 0.000 0.269 623 P C 0.432 177.775 177.300 0.073 0.000 1.209 623 P CA -0.206 62.966 63.100 0.120 0.000 0.776 623 P CB 0.727 32.494 31.700 0.111 0.000 0.876 624 E N 2.585 122.817 120.200 0.054 0.000 2.031 624 E HA -0.120 4.230 4.350 0.001 0.000 0.193 624 E C 0.368 176.986 176.600 0.030 0.000 0.994 624 E CA 0.486 56.910 56.400 0.039 0.000 0.800 624 E CB -0.174 29.545 29.700 0.032 0.000 0.752 624 E HN 0.576 nan 8.360 nan 0.000 0.447 625 A N 1.679 124.515 122.820 0.026 0.000 2.520 625 A HA -0.037 4.284 4.320 0.001 0.000 0.245 625 A C 0.386 177.984 177.584 0.023 0.000 1.072 625 A CA -0.012 52.036 52.037 0.019 0.000 0.761 625 A CB 0.271 19.278 19.000 0.013 0.000 1.004 625 A HN 0.278 nan 8.150 nan 0.000 0.499 626 D N 1.321 121.731 120.400 0.017 0.000 2.263 626 D HA -0.137 4.503 4.640 0.001 0.000 0.208 626 D C 0.815 177.125 176.300 0.017 0.000 0.971 626 D CA 1.603 55.613 54.000 0.017 0.000 0.867 626 D CB 0.059 40.865 40.800 0.011 0.000 0.929 626 D HN 0.803 nan 8.370 nan 0.000 0.492 627 D N 0.058 120.467 120.400 0.015 0.000 2.328 627 D HA -0.005 4.635 4.640 0.001 0.000 0.221 627 D C 0.495 176.805 176.300 0.016 0.000 1.072 627 D CA -0.125 53.882 54.000 0.013 0.000 0.850 627 D CB 0.134 40.938 40.800 0.006 0.000 0.922 627 D HN 0.189 nan 8.370 nan 0.000 0.516 628 I N 1.394 121.979 120.570 0.025 0.000 2.436 628 I HA 0.243 4.414 4.170 0.001 0.000 0.289 628 I C -0.088 176.067 176.117 0.064 0.000 1.010 628 I CA -0.844 60.474 61.300 0.031 0.000 1.098 628 I CB 1.826 39.837 38.000 0.018 0.000 1.266 628 I HN -0.040 nan 8.210 nan 0.000 0.434 629 Q N 4.469 124.317 119.800 0.081 0.000 2.495 629 Q HA 0.514 4.855 4.340 0.001 0.000 0.283 629 Q C -1.466 174.654 176.000 0.201 0.000 1.097 629 Q CA -0.939 54.949 55.803 0.141 0.000 0.836 629 Q CB 1.646 30.449 28.738 0.108 0.000 1.426 629 Q HN 0.370 nan 8.270 nan 0.000 0.459 630 Y N 1.383 121.706 120.300 0.038 0.000 2.326 630 Y HA 0.258 4.808 4.550 0.001 0.000 0.333 630 Y C -1.914 174.031 175.900 0.074 0.000 1.240 630 Y CA -1.749 56.384 58.100 0.055 0.000 1.365 630 Y CB 0.406 38.886 38.460 0.033 0.000 1.289 630 Y HN 0.529 nan 8.280 nan 0.000 0.548 631 P HA 0.038 nan 4.420 nan 0.000 0.273 631 P C -0.737 176.683 177.300 0.201 0.000 1.250 631 P CA -0.311 62.893 63.100 0.172 0.000 0.793 631 P CB 0.621 32.432 31.700 0.184 0.000 1.011 632 S N 0.636 116.444 115.700 0.181 0.000 2.533 632 S HA 0.263 4.734 4.470 0.001 0.000 0.282 632 S C 0.409 175.212 174.600 0.337 0.000 1.304 632 S CA 0.080 58.414 58.200 0.224 0.000 1.063 632 S CB -0.510 62.742 63.200 0.086 0.000 0.881 632 S HN 0.301 nan 8.310 nan 0.000 0.493 633 M N 3.328 123.131 119.600 0.338 0.000 2.395 633 M HA 0.518 4.998 4.480 0.001 0.000 0.307 633 M C -1.313 174.982 176.300 -0.008 0.000 1.091 633 M CA -0.768 54.650 55.300 0.198 0.000 0.919 633 M CB 1.886 34.543 32.600 0.095 0.000 1.662 633 M HN 0.422 nan 8.290 nan 0.000 0.440 634 L N 4.466 125.546 121.223 -0.238 0.000 2.372 634 L HA 0.631 4.971 4.340 0.001 0.000 0.274 634 L C -1.792 174.929 176.870 -0.247 0.000 0.988 634 L CA -0.247 54.269 54.840 -0.540 0.000 0.833 634 L CB 1.394 42.739 42.059 -1.189 0.000 1.236 634 L HN 0.668 nan 8.230 nan 0.000 0.410 635 L N 6.077 127.205 121.223 -0.158 0.000 2.295 635 L HA 0.550 4.890 4.340 0.001 0.000 0.285 635 L C -0.802 176.040 176.870 -0.047 0.000 1.035 635 L CA -0.624 54.185 54.840 -0.052 0.000 0.806 635 L CB 1.509 43.579 42.059 0.018 0.000 1.214 635 L HN 0.524 nan 8.230 nan 0.000 0.426 636 L N 2.828 124.038 121.223 -0.021 0.000 2.356 636 L HA 0.694 5.034 4.340 0.001 0.000 0.277 636 L C -0.127 176.760 176.870 0.027 0.000 0.996 636 L CA -0.108 54.739 54.840 0.011 0.000 0.822 636 L CB 2.125 44.183 42.059 -0.001 0.000 1.256 636 L HN 0.624 nan 8.230 nan 0.000 0.413 637 T N 1.622 116.198 114.554 0.037 0.000 2.671 637 T HA 0.882 5.233 4.350 0.001 0.000 0.300 637 T C -1.878 172.844 174.700 0.038 0.000 1.238 637 T CA -0.182 61.946 62.100 0.046 0.000 1.020 637 T CB 2.075 70.978 68.868 0.057 0.000 1.503 637 T HN 0.732 nan 8.240 nan 0.000 0.497 638 A N 0.829 123.684 122.820 0.058 0.000 2.572 638 A HA 0.614 4.935 4.320 0.001 0.000 0.295 638 A C 0.242 177.868 177.584 0.071 0.000 1.072 638 A CA -0.058 52.016 52.037 0.062 0.000 0.691 638 A CB 1.373 20.431 19.000 0.097 0.000 1.291 638 A HN 0.881 nan 8.150 nan 0.000 0.404 639 D N -0.297 120.141 120.400 0.064 0.000 2.350 639 D HA -0.102 4.538 4.640 0.001 0.000 0.216 639 D C 0.514 176.752 176.300 -0.103 0.000 0.968 639 D CA 1.702 55.696 54.000 -0.010 0.000 0.894 639 D CB -0.272 40.505 40.800 -0.039 0.000 0.909 639 D HN 0.629 nan 8.370 nan 0.000 0.520 640 H N -0.806 118.300 119.070 0.061 0.000 2.486 640 H HA 0.217 4.773 4.556 0.001 0.000 0.284 640 H C -0.567 174.817 175.328 0.093 0.000 1.103 640 H CA -0.574 55.521 56.048 0.078 0.000 1.089 640 H CB 0.203 30.012 29.762 0.079 0.000 1.603 640 H HN -0.022 nan 8.280 nan 0.000 0.557 641 D N 1.674 122.173 120.400 0.165 0.000 2.416 641 D HA -0.043 4.597 4.640 0.001 0.000 0.240 641 D C 0.295 176.679 176.300 0.139 0.000 1.250 641 D CA -0.085 54.022 54.000 0.179 0.000 0.967 641 D CB 0.298 41.223 40.800 0.208 0.000 1.059 641 D HN 0.420 nan 8.370 nan 0.000 0.512 642 D N 2.105 122.576 120.400 0.117 0.000 2.339 642 D HA -0.043 4.597 4.640 0.001 0.000 0.217 642 D C 1.526 177.868 176.300 0.071 0.000 1.050 642 D CA -0.104 53.942 54.000 0.077 0.000 0.856 642 D CB 0.243 41.068 40.800 0.041 0.000 0.922 642 D HN 0.199 nan 8.370 nan 0.000 0.518 643 R N 0.550 121.083 120.500 0.057 0.000 2.052 643 R HA 0.163 4.504 4.340 0.001 0.000 0.224 643 R C 0.025 176.427 176.300 0.170 0.000 1.149 643 R CA 0.882 56.987 56.100 0.008 0.000 0.962 643 R CB -0.131 29.919 30.300 -0.417 0.000 0.856 643 R HN 0.018 nan 8.270 nan 0.000 0.433 644 V N 3.467 123.449 119.914 0.112 0.000 2.284 644 V HA 0.257 4.378 4.120 0.001 0.000 0.274 644 V C -0.493 175.780 176.094 0.297 0.000 1.023 644 V CA -1.041 61.439 62.300 0.300 0.000 0.808 644 V CB 1.077 33.001 31.823 0.167 0.000 1.035 644 V HN 0.263 nan 8.190 nan 0.000 0.445 645 V N 4.786 124.888 119.914 0.314 0.000 2.644 645 V HA 0.118 4.238 4.120 0.001 0.000 0.305 645 V C -0.564 175.609 176.094 0.132 0.000 1.053 645 V CA -0.511 61.876 62.300 0.145 0.000 1.186 645 V CB 0.225 32.033 31.823 -0.025 0.000 0.895 645 V HN 0.650 nan 8.190 nan 0.000 0.490 646 P HA -0.214 nan 4.420 nan 0.000 0.220 646 P C 1.582 178.868 177.300 -0.022 0.000 1.144 646 P CA 1.804 64.929 63.100 0.041 0.000 0.800 646 P CB -0.072 31.639 31.700 0.018 0.000 0.772 647 L N -2.493 118.645 121.223 -0.141 0.000 2.129 647 L HA -0.186 4.154 4.340 0.001 0.000 0.212 647 L C 2.522 179.269 176.870 -0.206 0.000 1.087 647 L CA 1.959 56.648 54.840 -0.252 0.000 0.757 647 L CB -2.399 39.413 42.059 -0.411 0.000 0.896 647 L HN -0.032 nan 8.230 nan 0.000 0.434 648 H N 0.362 119.395 119.070 -0.063 0.000 2.289 648 H HA -0.116 4.441 4.556 0.001 0.000 0.296 648 H C 2.421 177.752 175.328 0.006 0.000 1.091 648 H CA 1.993 58.035 56.048 -0.010 0.000 1.274 648 H CB -0.207 29.577 29.762 0.037 0.000 1.364 648 H HN 0.505 nan 8.280 nan 0.000 0.490 649 S N 0.451 116.243 115.700 0.153 0.000 2.387 649 S HA -0.024 4.446 4.470 0.001 0.000 0.226 649 S C 2.511 177.164 174.600 0.088 0.000 1.026 649 S CA 0.303 58.590 58.200 0.145 0.000 0.972 649 S CB -0.077 63.191 63.200 0.114 0.000 0.814 649 S HN 0.223 nan 8.310 nan 0.000 0.477 650 L N 1.336 122.554 121.223 -0.008 0.000 1.994 650 L HA -0.143 4.197 4.340 0.001 0.000 0.208 650 L C 2.416 179.122 176.870 -0.272 0.000 1.071 650 L CA 1.339 56.109 54.840 -0.117 0.000 0.745 650 L CB -0.581 41.295 42.059 -0.304 0.000 0.892 650 L HN 0.260 nan 8.230 nan 0.000 0.431 651 K N -0.686 119.561 120.400 -0.256 0.000 2.097 651 K HA -0.175 4.145 4.320 0.001 0.000 0.205 651 K C 2.120 178.671 176.600 -0.082 0.000 1.050 651 K CA 1.221 57.362 56.287 -0.244 0.000 0.938 651 K CB -0.257 32.148 32.500 -0.159 0.000 0.718 651 K HN 0.089 nan 8.250 nan 0.000 0.442 652 F N 1.861 121.722 119.950 -0.149 0.000 2.146 652 F HA -0.140 4.387 4.527 0.001 0.000 0.298 652 F C 2.065 177.793 175.800 -0.121 0.000 1.096 652 F CA 0.657 58.593 58.000 -0.106 0.000 1.275 652 F CB -0.341 38.627 39.000 -0.055 0.000 1.008 652 F HN -0.146 nan 8.300 nan 0.000 0.480 653 I N 0.444 120.933 120.570 -0.135 0.000 2.315 653 I HA -0.111 4.059 4.170 0.001 0.000 0.248 653 I C 2.418 178.369 176.117 -0.277 0.000 1.117 653 I CA 1.512 62.658 61.300 -0.257 0.000 1.404 653 I CB -0.994 36.939 38.000 -0.112 0.000 1.071 653 I HN 0.123 nan 8.210 nan 0.000 0.419 654 A N -0.715 121.949 122.820 -0.259 0.000 1.883 654 A HA -0.244 4.077 4.320 0.001 0.000 0.217 654 A C 2.354 179.651 177.584 -0.478 0.000 1.186 654 A CA 2.607 54.350 52.037 -0.490 0.000 0.624 654 A CB -1.430 16.887 19.000 -1.139 0.000 0.822 654 A HN 0.462 nan 8.150 nan 0.000 0.444 655 T N 0.399 114.752 114.554 -0.336 0.000 2.746 655 T HA -0.076 4.274 4.350 0.001 0.000 0.267 655 T C 1.824 176.444 174.700 -0.135 0.000 1.039 655 T CA 1.469 63.547 62.100 -0.036 0.000 1.142 655 T CB -0.386 68.522 68.868 0.067 0.000 0.866 655 T HN 0.358 nan 8.240 nan 0.000 0.444 656 L N 0.711 121.725 121.223 -0.349 0.000 2.017 656 L HA -0.147 4.193 4.340 0.001 0.000 0.208 656 L C 2.931 179.576 176.870 -0.375 0.000 1.073 656 L CA 1.441 56.015 54.840 -0.443 0.000 0.745 656 L CB -0.572 41.130 42.059 -0.596 0.000 0.894 656 L HN 0.292 nan 8.230 nan 0.000 0.432 657 Q N -1.454 118.109 119.800 -0.395 0.000 2.167 657 Q HA -0.239 4.102 4.340 0.001 0.000 0.202 657 Q C 2.019 177.903 176.000 -0.193 0.000 0.970 657 Q CA 1.734 57.243 55.803 -0.489 0.000 0.855 657 Q CB -0.172 28.165 28.738 -0.667 0.000 0.911 657 Q HN 0.480 nan 8.270 nan 0.000 0.438 658 Y N 0.800 120.997 120.300 -0.172 0.000 2.176 658 Y HA -0.152 4.398 4.550 0.001 0.000 0.291 658 Y C 1.919 177.789 175.900 -0.051 0.000 1.122 658 Y CA 1.004 59.080 58.100 -0.039 0.000 1.128 658 Y CB 0.057 38.571 38.460 0.090 0.000 1.005 658 Y HN -0.023 nan 8.280 nan 0.000 0.509 659 I N -0.800 119.727 120.570 -0.072 0.000 2.233 659 I HA -0.183 3.987 4.170 0.001 0.000 0.243 659 I C 2.124 178.103 176.117 -0.230 0.000 1.093 659 I CA 1.251 62.451 61.300 -0.168 0.000 1.380 659 I CB -1.244 36.723 38.000 -0.055 0.000 1.067 659 I HN 0.181 nan 8.210 nan 0.000 0.413 660 V N 0.387 120.134 119.914 -0.278 0.000 2.672 660 V HA 0.152 4.273 4.120 0.001 0.000 0.242 660 V C 2.553 178.537 176.094 -0.183 0.000 1.059 660 V CA 1.230 63.351 62.300 -0.297 0.000 1.081 660 V CB -0.851 30.630 31.823 -0.571 0.000 0.752 660 V HN 0.402 nan 8.190 nan 0.000 0.472 661 G N 0.343 109.033 108.800 -0.182 0.000 2.462 661 G HA2 -0.231 3.730 3.960 0.001 0.000 0.220 661 G HA3 -0.231 3.730 3.960 0.001 0.000 0.220 661 G C 1.678 176.610 174.900 0.053 0.000 1.121 661 G CA 0.552 45.636 45.100 -0.027 0.000 0.758 661 G HN 0.421 nan 8.290 nan 0.000 0.559 662 R N 0.686 121.158 120.500 -0.048 0.000 2.276 662 R HA 0.071 4.411 4.340 0.001 0.000 0.203 662 R C 1.307 177.572 176.300 -0.058 0.000 1.017 662 R CA 0.486 56.556 56.100 -0.050 0.000 1.010 662 R CB -0.016 30.191 30.300 -0.155 0.000 0.900 662 R HN 0.431 nan 8.270 nan 0.000 0.469 663 S N 0.429 116.089 115.700 -0.066 0.000 2.549 663 S HA 0.081 4.552 4.470 0.001 0.000 0.279 663 S C 0.953 175.538 174.600 -0.025 0.000 1.321 663 S CA -0.683 57.487 58.200 -0.049 0.000 1.054 663 S CB 1.875 65.046 63.200 -0.048 0.000 0.899 663 S HN 0.066 nan 8.310 nan 0.000 0.497 664 R N 2.842 123.329 120.500 -0.022 0.000 2.127 664 R HA -0.117 4.223 4.340 0.001 0.000 0.238 664 R C 2.048 178.343 176.300 -0.009 0.000 1.134 664 R CA 2.199 58.289 56.100 -0.017 0.000 0.975 664 R CB -0.599 29.692 30.300 -0.015 0.000 0.865 664 R HN 0.923 nan 8.270 nan 0.000 0.447 665 K N -0.655 119.744 120.400 -0.001 0.000 2.432 665 K HA -0.052 4.268 4.320 0.001 0.000 0.196 665 K C 0.308 176.920 176.600 0.020 0.000 1.038 665 K CA 0.330 56.623 56.287 0.010 0.000 0.986 665 K CB 0.059 32.569 32.500 0.018 0.000 0.782 665 K HN -0.052 nan 8.250 nan 0.000 0.485 666 Q N 1.800 121.610 119.800 0.017 0.000 2.344 666 Q HA 0.139 4.479 4.340 0.001 0.000 0.253 666 Q C -0.355 175.660 176.000 0.025 0.000 1.050 666 Q CA -0.000 55.823 55.803 0.034 0.000 0.912 666 Q CB 0.785 29.539 28.738 0.027 0.000 1.258 666 Q HN 0.218 nan 8.270 nan 0.000 0.443 667 N N 2.667 121.385 118.700 0.031 0.000 2.273 667 N HA 0.069 4.810 4.740 0.001 0.000 0.192 667 N C -0.650 174.884 175.510 0.039 0.000 1.132 667 N CA -0.003 53.054 53.050 0.012 0.000 0.887 667 N CB 0.456 38.949 38.487 0.010 0.000 1.048 667 N HN 0.428 nan 8.380 nan 0.000 0.490 668 N N 3.082 121.827 118.700 0.074 0.000 2.497 668 N HA 0.165 4.905 4.740 0.001 0.000 0.271 668 N C -2.362 173.229 175.510 0.135 0.000 1.142 668 N CA -0.887 52.225 53.050 0.102 0.000 0.965 668 N CB 0.735 39.294 38.487 0.119 0.000 1.077 668 N HN 0.160 nan 8.380 nan 0.000 0.462 669 P HA 0.159 nan 4.420 nan 0.000 0.275 669 P C -0.774 176.669 177.300 0.238 0.000 1.228 669 P CA -0.072 63.159 63.100 0.218 0.000 0.786 669 P CB 0.882 32.576 31.700 -0.011 0.000 0.927 670 L N 3.742 125.115 121.223 0.251 0.000 2.388 670 L HA 0.476 4.816 4.340 0.001 0.000 0.267 670 L C 0.048 176.913 176.870 -0.007 0.000 0.995 670 L CA -0.362 54.504 54.840 0.044 0.000 0.864 670 L CB 0.845 42.824 42.059 -0.133 0.000 1.216 670 L HN 0.225 nan 8.230 nan 0.000 0.430 671 L N 3.502 124.683 121.223 -0.070 0.000 2.301 671 L HA 0.683 5.023 4.340 0.001 0.000 0.264 671 L C -0.758 176.014 176.870 -0.165 0.000 1.016 671 L CA -0.779 53.981 54.840 -0.134 0.000 0.821 671 L CB 3.131 45.065 42.059 -0.209 0.000 1.346 671 L HN 0.457 nan 8.230 nan 0.000 0.429 672 I N -0.029 120.465 120.570 -0.127 0.000 2.730 672 I HA 0.426 4.597 4.170 0.001 0.000 0.298 672 I C -1.423 174.677 176.117 -0.028 0.000 1.089 672 I CA -0.340 60.912 61.300 -0.079 0.000 1.041 672 I CB 2.340 40.312 38.000 -0.047 0.000 1.235 672 I HN 0.639 nan 8.210 nan 0.000 0.423 673 H N 6.738 125.751 119.070 -0.096 0.000 2.744 673 H HA 0.473 5.030 4.556 0.001 0.000 0.339 673 H C -1.974 173.335 175.328 -0.031 0.000 1.004 673 H CA -0.532 55.474 56.048 -0.070 0.000 1.257 673 H CB 2.017 31.733 29.762 -0.077 0.000 1.552 673 H HN 0.355 nan 8.280 nan 0.000 0.522 674 V N 5.763 125.394 119.914 -0.471 0.000 2.311 674 V HA 0.056 4.176 4.120 0.001 0.000 0.275 674 V C 0.364 176.214 176.094 -0.406 0.000 1.022 674 V CA -0.646 61.482 62.300 -0.287 0.000 0.830 674 V CB 1.081 32.826 31.823 -0.131 0.000 1.012 674 V HN 0.730 nan 8.190 nan 0.000 0.452 675 D N 3.474 123.740 120.400 -0.222 0.000 2.354 675 D HA 0.464 5.104 4.640 0.001 0.000 0.247 675 D C 0.393 176.693 176.300 -0.000 0.000 1.138 675 D CA 0.095 54.046 54.000 -0.082 0.000 0.958 675 D CB 1.561 42.407 40.800 0.077 0.000 1.144 675 D HN 0.660 nan 8.370 nan 0.000 0.458 676 T N -1.494 113.086 114.554 0.043 0.000 2.940 676 T HA 0.406 4.757 4.350 0.001 0.000 0.288 676 T C -0.009 174.749 174.700 0.096 0.000 1.033 676 T CA -0.932 61.222 62.100 0.089 0.000 1.033 676 T CB 1.180 70.089 68.868 0.069 0.000 1.079 676 T HN 0.490 nan 8.240 nan 0.000 0.496 677 K N -0.509 119.961 120.400 0.117 0.000 3.016 677 K HA -0.110 4.211 4.320 0.001 0.000 0.262 677 K C 0.042 176.623 176.600 -0.031 0.000 1.043 677 K CA 0.668 56.924 56.287 -0.053 0.000 0.761 677 K CB -2.116 30.358 32.500 -0.044 0.000 1.230 677 K HN 1.005 nan 8.250 nan 0.000 0.485 678 A N -0.710 122.153 122.820 0.071 0.000 2.566 678 A HA 0.867 5.188 4.320 0.001 0.000 0.292 678 A C 0.281 177.954 177.584 0.149 0.000 1.112 678 A CA -0.064 52.022 52.037 0.081 0.000 0.707 678 A CB 2.030 21.077 19.000 0.077 0.000 1.302 678 A HN 0.243 nan 8.150 nan 0.000 0.409 679 G N -1.348 107.532 108.800 0.133 0.000 3.259 679 G HA2 0.405 4.366 3.960 0.001 0.000 0.178 679 G HA3 0.405 4.366 3.960 0.001 0.000 0.178 679 G C 0.521 175.526 174.900 0.175 0.000 1.129 679 G CA 0.441 45.645 45.100 0.175 0.000 0.816 679 G HN 0.838 nan 8.290 nan 0.000 0.634 680 H N -0.504 118.614 119.070 0.081 0.000 2.387 680 H HA 0.094 4.650 4.556 0.001 0.000 0.299 680 H C 1.986 177.345 175.328 0.051 0.000 1.099 680 H CA 2.965 59.052 56.048 0.065 0.000 1.315 680 H CB 0.210 30.012 29.762 0.067 0.000 1.380 680 H HN 0.827 nan 8.280 nan 0.000 0.513 681 G N -2.251 106.591 108.800 0.071 0.000 3.382 681 G HA2 -0.057 3.904 3.960 0.001 0.000 0.214 681 G HA3 -0.057 3.904 3.960 0.001 0.000 0.214 681 G C 0.261 175.185 174.900 0.040 0.000 1.025 681 G CA -0.071 45.035 45.100 0.010 0.000 0.869 681 G HN 0.600 nan 8.290 nan 0.000 0.458 682 A N 0.740 123.602 122.820 0.070 0.000 2.520 682 A HA 0.563 4.883 4.320 0.001 0.000 0.245 682 A C 1.904 179.522 177.584 0.056 0.000 1.072 682 A CA 1.800 53.874 52.037 0.061 0.000 0.761 682 A CB -0.314 18.733 19.000 0.078 0.000 1.004 682 A HN 2.389 nan 8.150 nan 0.000 0.499 683 G N 1.321 110.147 108.800 0.043 0.000 2.179 683 G HA2 -0.280 3.680 3.960 0.001 0.000 0.260 683 G HA3 -0.280 3.680 3.960 0.001 0.000 0.260 683 G C 0.385 175.308 174.900 0.038 0.000 0.977 683 G CA 0.694 45.818 45.100 0.040 0.000 0.641 683 G HN 1.070 nan 8.290 nan 0.000 0.533 684 K N 1.987 122.410 120.400 0.039 0.000 2.447 684 K HA 0.296 4.617 4.320 0.001 0.000 0.281 684 K C -1.442 175.180 176.600 0.037 0.000 1.031 684 K CA -0.917 55.391 56.287 0.036 0.000 1.019 684 K CB 0.668 33.188 32.500 0.033 0.000 0.918 684 K HN 0.198 nan 8.250 nan 0.000 0.476 685 P HA -0.020 nan 4.420 nan 0.000 0.272 685 P C 0.172 177.499 177.300 0.045 0.000 1.223 685 P CA -0.196 62.925 63.100 0.035 0.000 0.784 685 P CB 0.896 32.611 31.700 0.026 0.000 0.923 686 T N 2.063 116.655 114.554 0.063 0.000 2.653 686 T HA -0.243 4.108 4.350 0.001 0.000 0.268 686 T C 1.902 176.639 174.700 0.061 0.000 1.035 686 T CA 2.506 64.665 62.100 0.098 0.000 1.154 686 T CB -0.838 68.107 68.868 0.129 0.000 0.862 686 T HN 0.572 nan 8.240 nan 0.000 0.441 687 A N 1.523 124.371 122.820 0.046 0.000 1.892 687 A HA -0.213 4.107 4.320 0.001 0.000 0.218 687 A C 2.283 179.884 177.584 0.028 0.000 1.188 687 A CA 1.966 54.024 52.037 0.035 0.000 0.631 687 A CB -0.514 18.503 19.000 0.029 0.000 0.822 687 A HN 0.489 nan 8.150 nan 0.000 0.447 688 K N -0.680 119.737 120.400 0.029 0.000 2.057 688 K HA -0.032 4.289 4.320 0.001 0.000 0.206 688 K C 1.900 178.510 176.600 0.017 0.000 1.050 688 K CA 1.233 57.537 56.287 0.029 0.000 0.935 688 K CB -0.325 32.196 32.500 0.035 0.000 0.715 688 K HN 0.314 nan 8.250 nan 0.000 0.439 689 V N 1.925 121.842 119.914 0.005 0.000 2.332 689 V HA -0.274 3.846 4.120 0.001 0.000 0.248 689 V C 2.163 178.229 176.094 -0.047 0.000 1.055 689 V CA 1.704 63.987 62.300 -0.028 0.000 1.038 689 V CB -0.397 31.393 31.823 -0.056 0.000 0.651 689 V HN 0.287 nan 8.190 nan 0.000 0.450 690 I N -0.443 120.102 120.570 -0.042 0.000 2.226 690 I HA -0.177 3.994 4.170 0.001 0.000 0.245 690 I C 2.661 178.797 176.117 0.033 0.000 1.100 690 I CA 1.280 62.572 61.300 -0.013 0.000 1.374 690 I CB -0.431 37.573 38.000 0.007 0.000 1.057 690 I HN 0.318 nan 8.210 nan 0.000 0.413 691 E N 0.615 120.827 120.200 0.019 0.000 2.077 691 E HA -0.280 4.070 4.350 0.001 0.000 0.193 691 E C 1.938 178.532 176.600 -0.011 0.000 0.989 691 E CA 1.291 57.697 56.400 0.009 0.000 0.800 691 E CB -0.298 29.405 29.700 0.006 0.000 0.746 691 E HN 0.567 nan 8.360 nan 0.000 0.452 692 E N 0.865 121.061 120.200 -0.006 0.000 2.031 692 E HA -0.168 4.182 4.350 0.001 0.000 0.193 692 E C 2.240 178.828 176.600 -0.020 0.000 0.994 692 E CA 2.077 58.466 56.400 -0.019 0.000 0.800 692 E CB 0.050 29.750 29.700 -0.000 0.000 0.752 692 E HN 0.151 nan 8.360 nan 0.000 0.447 693 V N -0.993 118.937 119.914 0.027 0.000 2.490 693 V HA -0.169 3.952 4.120 0.001 0.000 0.250 693 V C 2.200 178.292 176.094 -0.003 0.000 1.061 693 V CA 1.919 64.275 62.300 0.094 0.000 1.064 693 V CB -0.532 31.416 31.823 0.208 0.000 0.670 693 V HN 0.124 nan 8.190 nan 0.000 0.461 694 S N 0.589 116.296 115.700 0.011 0.000 2.383 694 S HA -0.161 4.309 4.470 0.001 0.000 0.227 694 S C 1.714 176.259 174.600 -0.092 0.000 1.026 694 S CA 1.604 59.776 58.200 -0.046 0.000 0.981 694 S CB -0.502 62.759 63.200 0.102 0.000 0.818 694 S HN 0.690 nan 8.310 nan 0.000 0.472 695 D N 1.386 121.741 120.400 -0.075 0.000 2.097 695 D HA -0.023 4.618 4.640 0.001 0.000 0.197 695 D C 1.920 178.184 176.300 -0.061 0.000 0.984 695 D CA 0.977 54.930 54.000 -0.078 0.000 0.826 695 D CB -0.286 40.424 40.800 -0.150 0.000 0.973 695 D HN 0.345 nan 8.370 nan 0.000 0.460 696 M N -0.388 119.130 119.600 -0.138 0.000 2.065 696 M HA -0.164 4.316 4.480 0.001 0.000 0.259 696 M C 2.082 178.201 176.300 -0.302 0.000 1.071 696 M CA 1.483 56.638 55.300 -0.241 0.000 1.109 696 M CB -0.394 31.970 32.600 -0.393 0.000 1.313 696 M HN -0.042 nan 8.290 nan 0.000 0.408 697 F N -0.098 119.734 119.950 -0.196 0.000 2.407 697 F HA -0.033 4.495 4.527 0.001 0.000 0.299 697 F C 2.492 178.283 175.800 -0.016 0.000 1.097 697 F CA 0.960 58.858 58.000 -0.169 0.000 1.422 697 F CB -0.840 37.871 39.000 -0.482 0.000 1.067 697 F HN 0.129 nan 8.300 nan 0.000 0.539 698 A N -0.281 122.585 122.820 0.077 0.000 1.897 698 A HA -0.163 4.157 4.320 0.001 0.000 0.215 698 A C 2.046 179.730 177.584 0.167 0.000 1.181 698 A CA 1.042 53.146 52.037 0.112 0.000 0.620 698 A CB -1.179 17.858 19.000 0.061 0.000 0.821 698 A HN 0.350 nan 8.150 nan 0.000 0.443 699 F N 0.860 120.839 119.950 0.048 0.000 2.075 699 F HA -0.164 4.363 4.527 0.001 0.000 0.297 699 F C 1.989 177.876 175.800 0.145 0.000 1.113 699 F CA 1.696 59.776 58.000 0.132 0.000 1.218 699 F CB -0.344 38.706 39.000 0.083 0.000 0.984 699 F HN 0.179 nan 8.300 nan 0.000 0.472 700 I N 0.212 120.874 120.570 0.154 0.000 2.151 700 I HA -0.375 3.795 4.170 0.001 0.000 0.243 700 I C 2.693 178.882 176.117 0.120 0.000 1.080 700 I CA 1.375 62.744 61.300 0.114 0.000 1.339 700 I CB -1.052 37.069 38.000 0.201 0.000 1.039 700 I HN 0.248 nan 8.210 nan 0.000 0.409 701 A N 0.695 123.624 122.820 0.181 0.000 1.883 701 A HA -0.276 4.045 4.320 0.001 0.000 0.217 701 A C 2.450 180.079 177.584 0.075 0.000 1.186 701 A CA 2.124 54.268 52.037 0.178 0.000 0.624 701 A CB -0.697 18.437 19.000 0.223 0.000 0.822 701 A HN 0.388 nan 8.150 nan 0.000 0.444 702 R N -0.891 119.609 120.500 0.001 0.000 2.075 702 R HA -0.121 4.220 4.340 0.001 0.000 0.232 702 R C 2.138 178.411 176.300 -0.046 0.000 1.126 702 R CA 1.825 57.883 56.100 -0.069 0.000 0.963 702 R CB -0.617 29.551 30.300 -0.220 0.000 0.858 702 R HN 0.567 nan 8.270 nan 0.000 0.435 703 C N 0.313 119.549 119.300 -0.106 0.000 2.440 703 C HA 0.014 4.475 4.460 0.001 0.000 0.278 703 C C 2.140 177.125 174.990 -0.008 0.000 1.295 703 C CA 0.444 59.406 59.018 -0.094 0.000 1.738 703 C CB -0.597 26.953 27.740 -0.316 0.000 1.987 703 C HN 0.494 nan 8.230 nan 0.000 0.492 704 L N 0.474 121.710 121.223 0.022 0.000 2.640 704 L HA 0.189 4.530 4.340 0.001 0.000 0.230 704 L C 0.446 177.358 176.870 0.070 0.000 1.123 704 L CA 0.050 54.929 54.840 0.065 0.000 0.900 704 L CB -0.640 41.486 42.059 0.112 0.000 1.146 704 L HN 0.296 nan 8.230 nan 0.000 0.484 705 N N 1.990 120.725 118.700 0.058 0.000 2.667 705 N HA -0.208 4.532 4.740 0.001 0.000 0.263 705 N C -0.654 174.905 175.510 0.082 0.000 1.038 705 N CA 0.528 53.613 53.050 0.058 0.000 0.749 705 N CB -0.999 37.514 38.487 0.042 0.000 0.892 705 N HN 0.335 nan 8.380 nan 0.000 0.546 706 I N 0.771 121.411 120.570 0.117 0.000 2.336 706 I HA 0.195 4.365 4.170 0.001 0.000 0.292 706 I C 0.440 176.652 176.117 0.158 0.000 0.991 706 I CA -0.815 60.568 61.300 0.139 0.000 1.227 706 I CB 1.018 39.133 38.000 0.193 0.000 1.366 706 I HN 0.086 nan 8.210 nan 0.000 0.466 707 D N 5.819 126.299 120.400 0.134 0.000 2.345 707 D HA 0.037 4.677 4.640 0.001 0.000 0.247 707 D C -0.480 175.953 176.300 0.222 0.000 1.108 707 D CA -0.151 53.946 54.000 0.162 0.000 0.894 707 D CB 1.314 42.181 40.800 0.112 0.000 1.203 707 D HN 0.399 nan 8.370 nan 0.000 0.430 708 W N 3.599 124.946 121.300 0.080 0.000 2.190 708 W HA 0.258 4.918 4.660 0.001 0.000 0.330 708 W C -0.885 175.689 176.519 0.092 0.000 1.299 708 W CA -0.330 57.075 57.345 0.099 0.000 1.215 708 W CB 0.477 29.989 29.460 0.086 0.000 1.147 708 W HN 0.262 nan 8.180 nan 0.000 0.563 709 I N 8.506 128.811 120.570 -0.443 0.000 2.390 709 I HA 0.165 4.335 4.170 0.001 0.000 0.283 709 I C -1.862 174.034 176.117 -0.368 0.000 1.016 709 I CA -2.187 58.938 61.300 -0.291 0.000 1.151 709 I CB 1.368 39.212 38.000 -0.260 0.000 1.293 709 I HN 0.095 nan 8.210 nan 0.000 0.458 710 P HA 0.000 nan 4.420 nan 0.000 0.216 710 P CA 0.000 63.205 63.100 0.175 0.000 0.800 710 P CB 0.000 31.820 31.700 0.200 0.000 0.726