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 1e5t_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 IREGTDPVNR LWYCDLQQES NGITGILKWV KLIDNFEGEY DYVTNEGTVF DATA SEQUENCE TFKTNRHSPN YRLINIDFTD PEESKWKVLV PEHEKDVLEW VACVRSNFLV DATA SEQUENCE LCYLHDVKNT LQLHDLATGA LLKIFPLEVG SVVGYSGQKK DTEIFYcFTS DATA SEQUENCE FLSPGIIYHC DLTKEELEPR VFREVTVKGI DASDYQTVQI FYPSKDGTKI DATA SEQUENCE PMFIVHKKGI KLDGSHPAFL YGYGGFNISI TPNYSVSRLI FVRHMGGVLA DATA SEQUENCE VANIRGGGEY GETWHKGGIL ANKQNCFDDF QCAAEYLIKE GYTSPKRLTI DATA SEQUENCE NGGSNGGLLV ATCANQRPDL FGCVIAQVGV MDMLKFHKYT IGHAWTTDYG DATA SEQUENCE CSDSKQHFEW LIKYSPLHNV KLPEADDIQY PSMLLLTADH DDRVVPLHSL DATA SEQUENCE KFIATLQYIV GRSRKQNNPL LIHVDTKAGH GAGMPTAKVI 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 0.000 176.332 176.300 0.053 0.000 1.140 1 M CA 0.000 55.325 55.300 0.041 0.000 0.988 1 M CB 0.000 32.652 32.600 0.086 0.000 1.302 2 L N 2.692 123.879 121.223 -0.060 0.000 2.433 2 L HA 0.252 4.592 4.340 0.001 0.000 0.275 2 L C -0.043 176.628 176.870 -0.332 0.000 1.128 2 L CA -0.033 54.625 54.840 -0.304 0.000 0.875 2 L CB 0.813 42.527 42.059 -0.574 0.000 1.171 2 L HN 0.290 nan 8.230 nan 0.000 0.463 3 S N 3.546 119.100 115.700 -0.244 0.000 2.711 3 S HA 0.323 4.793 4.470 0.001 0.000 0.247 3 S C -0.366 174.211 174.600 -0.039 0.000 1.079 3 S CA -0.539 57.596 58.200 -0.108 0.000 1.050 3 S CB -0.121 63.093 63.200 0.023 0.000 0.885 3 S HN 0.519 nan 8.310 nan 0.000 0.498 4 F N 0.014 119.918 119.950 -0.076 0.000 2.650 4 F HA 0.778 5.305 4.527 0.001 0.000 0.320 4 F C -0.758 174.913 175.800 -0.214 0.000 1.091 4 F CA -1.344 56.588 58.000 -0.114 0.000 0.962 4 F CB 0.868 39.804 39.000 -0.106 0.000 1.363 4 F HN -0.213 nan 8.300 nan 0.000 0.482 5 Q N 0.604 120.474 119.800 0.116 0.000 2.365 5 Q HA 0.384 4.725 4.340 0.001 0.000 0.269 5 Q C -1.769 174.273 176.000 0.070 0.000 1.061 5 Q CA -1.073 54.721 55.803 -0.015 0.000 0.816 5 Q CB 2.481 31.230 28.738 0.018 0.000 1.325 5 Q HN 0.596 nan 8.270 nan 0.000 0.446 6 Y N 1.392 121.804 120.300 0.187 0.000 2.480 6 Y HA 0.145 4.695 4.550 0.001 0.000 0.338 6 Y C -1.755 174.187 175.900 0.070 0.000 1.220 6 Y CA -1.746 56.425 58.100 0.119 0.000 1.430 6 Y CB -0.263 38.252 38.460 0.091 0.000 1.311 6 Y HN 0.424 nan 8.280 nan 0.000 0.575 7 P HA 0.011 nan 4.420 nan 0.000 0.269 7 P C -0.871 176.530 177.300 0.169 0.000 1.209 7 P CA -0.170 63.000 63.100 0.116 0.000 0.776 7 P CB 0.569 32.269 31.700 -0.001 0.000 0.876 8 D N 0.991 121.492 120.400 0.169 0.000 2.390 8 D HA 0.163 4.803 4.640 0.001 0.000 0.249 8 D C -0.437 176.032 176.300 0.282 0.000 1.144 8 D CA 0.460 54.584 54.000 0.207 0.000 0.880 8 D CB 0.496 41.397 40.800 0.170 0.000 1.182 8 D HN -0.057 nan 8.370 nan 0.000 0.451 9 V N 3.770 123.892 119.914 0.346 0.000 2.524 9 V HA 0.056 4.177 4.120 0.001 0.000 0.297 9 V C -0.446 175.970 176.094 0.537 0.000 1.035 9 V CA -1.076 61.534 62.300 0.517 0.000 0.867 9 V CB 1.234 33.358 31.823 0.502 0.000 1.004 9 V HN 0.407 nan 8.190 nan 0.000 0.426 10 Y N 5.421 125.965 120.300 0.406 0.000 2.620 10 Y HA 0.268 4.819 4.550 0.001 0.000 0.330 10 Y C 0.732 176.852 175.900 0.365 0.000 1.186 10 Y CA 0.168 58.395 58.100 0.211 0.000 1.467 10 Y CB 0.448 38.825 38.460 -0.139 0.000 1.262 10 Y HN 0.554 nan 8.280 nan 0.000 0.550 11 R N 4.704 124.808 120.500 -0.662 0.000 2.265 11 R HA 0.120 4.461 4.340 0.001 0.000 0.328 11 R C -1.144 174.646 176.300 -0.851 0.000 0.969 11 R CA -0.814 54.894 56.100 -0.653 0.000 0.832 11 R CB 0.613 30.537 30.300 -0.628 0.000 1.139 11 R HN 0.609 nan 8.270 nan 0.000 0.457 12 D N 3.129 123.293 120.400 -0.393 0.000 2.435 12 D HA -0.000 4.640 4.640 0.001 0.000 0.230 12 D C 0.488 176.688 176.300 -0.166 0.000 1.215 12 D CA 0.013 53.917 54.000 -0.159 0.000 0.947 12 D CB 0.784 41.675 40.800 0.151 0.000 1.048 12 D HN 0.406 nan 8.370 nan 0.000 0.512 13 E N 1.511 121.596 120.200 -0.190 0.000 2.478 13 E HA -0.089 4.261 4.350 0.001 0.000 0.198 13 E C 1.520 178.085 176.600 -0.058 0.000 1.046 13 E CA 0.566 56.887 56.400 -0.130 0.000 0.870 13 E CB -0.022 29.606 29.700 -0.119 0.000 0.818 13 E HN 0.600 nan 8.360 nan 0.000 0.527 14 T N -2.115 112.422 114.554 -0.028 0.000 3.081 14 T HA 0.244 4.594 4.350 0.001 0.000 0.250 14 T C 1.130 175.830 174.700 0.001 0.000 1.100 14 T CA 0.200 62.297 62.100 -0.005 0.000 1.038 14 T CB 0.131 69.007 68.868 0.013 0.000 0.962 14 T HN 0.048 nan 8.240 nan 0.000 0.516 15 A N 2.035 124.855 122.820 0.000 0.000 2.785 15 A HA 0.586 4.906 4.320 0.001 0.000 0.294 15 A C 0.004 177.596 177.584 0.014 0.000 1.597 15 A CA -0.421 51.625 52.037 0.014 0.000 1.283 15 A CB -1.036 17.978 19.000 0.023 0.000 1.088 15 A HN 0.689 nan 8.150 nan 0.000 0.568 16 I N 1.462 122.038 120.570 0.010 0.000 2.466 16 I HA 0.361 4.531 4.170 0.001 0.000 0.289 16 I C -0.114 175.998 176.117 -0.008 0.000 1.026 16 I CA -0.335 60.975 61.300 0.017 0.000 1.078 16 I CB 1.991 39.995 38.000 0.007 0.000 1.249 16 I HN 0.677 nan 8.210 nan 0.000 0.429 17 Q N 4.397 124.197 119.800 0.001 0.000 2.356 17 Q HA 0.331 4.671 4.340 0.001 0.000 0.270 17 Q C -1.564 174.349 176.000 -0.145 0.000 1.058 17 Q CA -0.779 54.952 55.803 -0.120 0.000 0.802 17 Q CB 2.783 31.399 28.738 -0.203 0.000 1.303 17 Q HN 0.650 nan 8.270 nan 0.000 0.444 18 D N 2.006 122.255 120.400 -0.252 0.000 2.280 18 D HA 0.201 4.841 4.640 0.001 0.000 0.243 18 D C -1.636 174.390 176.300 -0.458 0.000 1.129 18 D CA -0.051 53.815 54.000 -0.225 0.000 0.848 18 D CB 0.506 41.199 40.800 -0.179 0.000 1.107 18 D HN 0.378 nan 8.370 nan 0.000 0.471 19 Y N 4.107 124.167 120.300 -0.399 0.000 2.587 19 Y HA 0.233 4.783 4.550 0.001 0.000 0.328 19 Y C 0.053 175.539 175.900 -0.689 0.000 0.980 19 Y CA -0.670 56.969 58.100 -0.769 0.000 1.272 19 Y CB 0.354 38.091 38.460 -1.205 0.000 1.094 19 Y HN 0.563 nan 8.280 nan 0.000 0.503 20 H N 1.648 120.572 119.070 -0.244 0.000 2.713 20 H HA -0.222 4.335 4.556 0.001 0.000 0.311 20 H C 1.424 176.701 175.328 -0.085 0.000 1.175 20 H CA 1.000 56.953 56.048 -0.158 0.000 1.143 20 H CB -1.441 28.227 29.762 -0.155 0.000 1.434 20 H HN 1.078 nan 8.280 nan 0.000 0.418 21 G N -0.477 108.306 108.800 -0.029 0.000 2.175 21 G HA2 -0.316 3.644 3.960 0.001 0.000 0.244 21 G HA3 -0.316 3.644 3.960 0.001 0.000 0.244 21 G C -0.037 174.892 174.900 0.049 0.000 0.982 21 G CA 0.543 45.648 45.100 0.009 0.000 0.641 21 G HN 0.892 nan 8.290 nan 0.000 0.527 22 H N 1.290 120.332 119.070 -0.046 0.000 2.597 22 H HA 0.584 5.140 4.556 0.001 0.000 0.303 22 H C 0.086 175.432 175.328 0.030 0.000 1.057 22 H CA -0.863 55.200 56.048 0.025 0.000 1.261 22 H CB 0.485 30.303 29.762 0.092 0.000 1.397 22 H HN -0.079 nan 8.280 nan 0.000 0.461 23 K N 4.412 124.904 120.400 0.154 0.000 2.322 23 K HA 0.207 4.527 4.320 0.001 0.000 0.283 23 K C -0.845 175.932 176.600 0.296 0.000 1.042 23 K CA -0.430 55.950 56.287 0.156 0.000 0.958 23 K CB 1.540 34.074 32.500 0.056 0.000 0.984 23 K HN 0.297 nan 8.250 nan 0.000 0.473 24 V N 3.527 123.610 119.914 0.281 0.000 2.483 24 V HA 0.178 4.298 4.120 0.001 0.000 0.297 24 V C -0.288 175.929 176.094 0.205 0.000 1.027 24 V CA -0.959 61.514 62.300 0.289 0.000 0.855 24 V CB 1.790 33.809 31.823 0.326 0.000 0.995 24 V HN 0.798 nan 8.190 nan 0.000 0.424 25 C N 3.320 122.719 119.300 0.166 0.000 2.369 25 C HA 0.495 4.956 4.460 0.001 0.000 0.358 25 C C 0.463 175.512 174.990 0.099 0.000 1.274 25 C CA -0.290 58.784 59.018 0.094 0.000 1.935 25 C CB 0.419 28.189 27.740 0.049 0.000 2.431 25 C HN 0.913 nan 8.230 nan 0.000 0.545 26 D N 3.060 123.491 120.400 0.052 0.000 2.502 26 D HA 0.259 4.899 4.640 0.001 0.000 0.301 26 D C -1.126 175.120 176.300 -0.090 0.000 1.202 26 D CA -1.362 52.657 54.000 0.032 0.000 0.878 26 D CB 0.718 41.581 40.800 0.105 0.000 1.062 26 D HN 0.306 nan 8.370 nan 0.000 0.499 27 P HA -0.156 nan 4.420 nan 0.000 0.221 27 P C 0.287 177.280 177.300 -0.511 0.000 1.145 27 P CA 0.873 63.698 63.100 -0.458 0.000 0.795 27 P CB 0.057 31.308 31.700 -0.750 0.000 0.775 28 Y N -1.119 119.073 120.300 -0.180 0.000 2.658 28 Y HA 0.507 5.057 4.550 0.001 0.000 0.276 28 Y C 2.292 177.845 175.900 -0.578 0.000 1.167 28 Y CA -0.440 57.329 58.100 -0.552 0.000 1.230 28 Y CB -0.916 37.200 38.460 -0.572 0.000 1.144 28 Y HN -0.068 nan 8.280 nan 0.000 0.529 29 A N 1.251 123.985 122.820 -0.144 0.000 2.024 29 A HA -0.190 4.130 4.320 0.001 0.000 0.220 29 A C 1.905 179.465 177.584 -0.040 0.000 1.164 29 A CA 1.669 53.675 52.037 -0.053 0.000 0.643 29 A CB -1.047 17.983 19.000 0.049 0.000 0.806 29 A HN 0.821 nan 8.150 nan 0.000 0.451 30 W N -0.455 120.851 121.300 0.010 0.000 2.421 30 W HA -0.063 4.597 4.660 0.001 0.000 0.270 30 W C 0.997 177.487 176.519 -0.049 0.000 1.233 30 W CA 0.661 58.006 57.345 -0.000 0.000 1.226 30 W CB -1.087 28.395 29.460 0.036 0.000 1.121 30 W HN 0.244 nan 8.180 nan 0.000 0.579 31 L N 1.195 122.085 121.223 -0.555 0.000 2.549 31 L HA -0.091 4.250 4.340 0.001 0.000 0.229 31 L C 2.207 178.902 176.870 -0.293 0.000 1.158 31 L CA 1.079 55.584 54.840 -0.559 0.000 0.842 31 L CB -0.532 40.969 42.059 -0.929 0.000 0.952 31 L HN -0.009 nan 8.230 nan 0.000 0.452 32 E N -0.583 119.496 120.200 -0.202 0.000 2.347 32 E HA -0.145 4.205 4.350 0.001 0.000 0.196 32 E C 0.445 176.967 176.600 -0.131 0.000 1.008 32 E CA 0.332 56.613 56.400 -0.198 0.000 0.852 32 E CB 0.097 29.732 29.700 -0.109 0.000 0.783 32 E HN 0.225 nan 8.360 nan 0.000 0.505 33 D N 0.487 120.863 120.400 -0.040 0.000 2.428 33 D HA 0.032 4.672 4.640 0.001 0.000 0.221 33 D C -1.616 174.680 176.300 -0.006 0.000 1.123 33 D CA -2.544 51.456 54.000 -0.001 0.000 0.869 33 D CB 1.162 41.995 40.800 0.056 0.000 1.032 33 D HN -0.105 nan 8.370 nan 0.000 0.506 34 P HA -0.055 nan 4.420 nan 0.000 0.223 34 P C 0.279 177.582 177.300 0.004 0.000 1.151 34 P CA 0.646 63.730 63.100 -0.026 0.000 0.787 34 P CB 0.636 32.304 31.700 -0.054 0.000 0.788 35 D N -0.107 120.300 120.400 0.011 0.000 2.348 35 D HA -0.010 4.630 4.640 0.001 0.000 0.211 35 D C 1.071 177.392 176.300 0.035 0.000 0.998 35 D CA 0.425 54.436 54.000 0.019 0.000 0.873 35 D CB -0.043 40.764 40.800 0.012 0.000 0.925 35 D HN 0.271 nan 8.370 nan 0.000 0.524 36 S N 0.772 116.504 115.700 0.053 0.000 2.584 36 S HA 0.048 4.518 4.470 0.001 0.000 0.270 36 S C 1.247 175.889 174.600 0.070 0.000 1.346 36 S CA -0.423 57.813 58.200 0.061 0.000 1.018 36 S CB 1.841 65.095 63.200 0.089 0.000 0.899 36 S HN -0.121 nan 8.310 nan 0.000 0.542 37 E N 1.654 121.882 120.200 0.047 0.000 2.150 37 E HA -0.139 4.211 4.350 0.001 0.000 0.193 37 E C 2.053 178.700 176.600 0.077 0.000 0.985 37 E CA 1.278 57.707 56.400 0.047 0.000 0.814 37 E CB -0.442 29.268 29.700 0.017 0.000 0.752 37 E HN 0.793 nan 8.360 nan 0.000 0.466 38 Q N -0.101 119.743 119.800 0.073 0.000 2.050 38 Q HA -0.077 4.264 4.340 0.001 0.000 0.202 38 Q C 2.214 178.424 176.000 0.349 0.000 0.980 38 Q CA 1.934 57.801 55.803 0.106 0.000 0.840 38 Q CB -0.470 28.215 28.738 -0.088 0.000 0.898 38 Q HN 0.164 nan 8.270 nan 0.000 0.424 39 T N 0.681 115.436 114.554 0.336 0.000 2.812 39 T HA -0.076 4.274 4.350 0.001 0.000 0.264 39 T C 1.488 176.340 174.700 0.254 0.000 1.042 39 T CA 1.087 63.367 62.100 0.300 0.000 1.140 39 T CB -0.080 68.881 68.868 0.154 0.000 0.870 39 T HN 0.205 nan 8.240 nan 0.000 0.445 40 K N 1.222 121.727 120.400 0.175 0.000 2.097 40 K HA 0.049 4.369 4.320 0.001 0.000 0.206 40 K C 2.609 179.300 176.600 0.152 0.000 1.049 40 K CA 1.135 57.503 56.287 0.135 0.000 0.933 40 K CB -0.217 32.335 32.500 0.088 0.000 0.717 40 K HN 0.274 nan 8.250 nan 0.000 0.442 41 A N 0.992 123.916 122.820 0.174 0.000 1.930 41 A HA -0.142 4.178 4.320 0.001 0.000 0.217 41 A C 1.950 179.654 177.584 0.200 0.000 1.175 41 A CA 0.896 53.027 52.037 0.155 0.000 0.627 41 A CB -0.580 18.502 19.000 0.137 0.000 0.815 41 A HN 0.349 nan 8.150 nan 0.000 0.443 42 F N 0.680 120.714 119.950 0.139 0.000 2.102 42 F HA -0.164 4.364 4.527 0.001 0.000 0.298 42 F C 2.207 178.044 175.800 0.062 0.000 1.105 42 F CA 2.082 60.162 58.000 0.132 0.000 1.239 42 F CB -0.289 38.815 39.000 0.174 0.000 0.991 42 F HN 0.028 nan 8.300 nan 0.000 0.474 43 V N 0.617 120.678 119.914 0.246 0.000 2.295 43 V HA -0.271 3.849 4.120 0.001 0.000 0.246 43 V C 2.500 178.589 176.094 -0.008 0.000 1.049 43 V CA 2.176 64.533 62.300 0.095 0.000 1.024 43 V CB -0.669 31.237 31.823 0.139 0.000 0.648 43 V HN 0.320 nan 8.190 nan 0.000 0.447 44 E N 0.210 120.428 120.200 0.029 0.000 2.058 44 E HA -0.235 4.116 4.350 0.001 0.000 0.194 44 E C 2.366 178.949 176.600 -0.028 0.000 0.997 44 E CA 1.696 58.104 56.400 0.013 0.000 0.801 44 E CB -0.493 29.228 29.700 0.035 0.000 0.746 44 E HN 0.567 nan 8.360 nan 0.000 0.450 45 A N 1.232 124.020 122.820 -0.054 0.000 1.933 45 A HA -0.204 4.116 4.320 0.001 0.000 0.218 45 A C 2.105 179.599 177.584 -0.151 0.000 1.175 45 A CA 1.289 53.276 52.037 -0.083 0.000 0.628 45 A CB -0.291 18.666 19.000 -0.071 0.000 0.814 45 A HN 0.143 nan 8.150 nan 0.000 0.444 46 Q N -0.031 119.615 119.800 -0.256 0.000 2.049 46 Q HA -0.108 4.232 4.340 0.001 0.000 0.198 46 Q C 1.719 177.629 176.000 -0.149 0.000 0.971 46 Q CA 1.338 56.979 55.803 -0.269 0.000 0.833 46 Q CB -0.566 27.929 28.738 -0.404 0.000 0.896 46 Q HN 0.637 nan 8.270 nan 0.000 0.434 47 N N 1.172 119.826 118.700 -0.076 0.000 2.223 47 N HA -0.143 4.597 4.740 0.001 0.000 0.185 47 N C 1.567 177.055 175.510 -0.037 0.000 1.016 47 N CA 0.859 53.910 53.050 0.003 0.000 0.863 47 N CB -0.171 38.359 38.487 0.072 0.000 0.983 47 N HN 0.286 nan 8.380 nan 0.000 0.429 48 K N 1.168 121.537 120.400 -0.051 0.000 2.209 48 K HA -0.084 4.236 4.320 0.001 0.000 0.204 48 K C 1.843 178.398 176.600 -0.076 0.000 1.048 48 K CA 0.966 57.227 56.287 -0.044 0.000 0.940 48 K CB 0.024 32.507 32.500 -0.029 0.000 0.729 48 K HN 0.340 nan 8.250 nan 0.000 0.451 49 I N -3.341 117.141 120.570 -0.145 0.000 3.081 49 I HA 0.025 4.196 4.170 0.001 0.000 0.274 49 I C 1.670 177.599 176.117 -0.313 0.000 1.178 49 I CA 0.298 61.438 61.300 -0.266 0.000 1.460 49 I CB -0.269 37.458 38.000 -0.456 0.000 1.137 49 I HN -0.157 nan 8.210 nan 0.000 0.443 50 T N 1.763 116.172 114.554 -0.242 0.000 2.737 50 T HA -0.058 4.292 4.350 0.001 0.000 0.265 50 T C 2.121 176.768 174.700 -0.089 0.000 1.038 50 T CA 1.748 63.740 62.100 -0.180 0.000 1.144 50 T CB -0.283 68.492 68.868 -0.156 0.000 0.866 50 T HN 0.181 nan 8.240 nan 0.000 0.434 51 V N 2.312 122.153 119.914 -0.120 0.000 2.255 51 V HA -0.122 3.998 4.120 0.001 0.000 0.247 51 V C -0.474 175.599 176.094 -0.035 0.000 1.051 51 V CA 1.814 64.042 62.300 -0.120 0.000 1.018 51 V CB -1.577 30.182 31.823 -0.107 0.000 0.641 51 V HN 0.362 nan 8.190 nan 0.000 0.445 52 P HA -0.166 nan 4.420 nan 0.000 0.218 52 P C 1.684 179.023 177.300 0.065 0.000 1.149 52 P CA 1.360 64.474 63.100 0.024 0.000 0.817 52 P CB -0.109 31.613 31.700 0.036 0.000 0.785 53 F N 0.076 120.005 119.950 -0.035 0.000 2.146 53 F HA -0.133 4.394 4.527 0.001 0.000 0.298 53 F C 1.855 177.682 175.800 0.044 0.000 1.096 53 F CA 1.437 59.455 58.000 0.030 0.000 1.275 53 F CB -0.654 38.362 39.000 0.027 0.000 1.008 53 F HN -0.255 nan 8.300 nan 0.000 0.480 54 L N -0.217 121.100 121.223 0.158 0.000 2.156 54 L HA -0.135 4.206 4.340 0.001 0.000 0.208 54 L C 1.843 178.693 176.870 -0.034 0.000 1.095 54 L CA 1.346 56.232 54.840 0.076 0.000 0.770 54 L CB -0.618 41.474 42.059 0.055 0.000 0.914 54 L HN 0.153 nan 8.230 nan 0.000 0.439 55 E N -0.569 119.605 120.200 -0.043 0.000 2.479 55 E HA -0.128 4.222 4.350 0.001 0.000 0.193 55 E C 1.801 178.361 176.600 -0.066 0.000 1.049 55 E CA -0.077 56.293 56.400 -0.050 0.000 0.870 55 E CB 0.245 29.924 29.700 -0.036 0.000 0.944 55 E HN 0.457 nan 8.360 nan 0.000 0.492 56 Q N 0.549 120.288 119.800 -0.101 0.000 2.016 56 Q HA -0.117 4.224 4.340 0.001 0.000 0.200 56 Q C 0.878 176.817 176.000 -0.101 0.000 0.978 56 Q CA 0.915 56.656 55.803 -0.103 0.000 0.833 56 Q CB 0.090 28.745 28.738 -0.138 0.000 0.895 56 Q HN 0.265 nan 8.270 nan 0.000 0.427 57 C N 2.306 121.529 119.300 -0.128 0.000 2.514 57 C HA 0.269 4.729 4.460 0.001 0.000 0.392 57 C C -1.151 173.790 174.990 -0.080 0.000 1.294 57 C CA -1.786 57.175 59.018 -0.096 0.000 1.957 57 C CB 0.675 28.357 27.740 -0.097 0.000 2.541 57 C HN 0.495 nan 8.230 nan 0.000 0.569 58 P HA -0.126 nan 4.420 nan 0.000 0.229 58 P C 1.379 178.591 177.300 -0.146 0.000 1.150 58 P CA 1.205 64.247 63.100 -0.095 0.000 0.765 58 P CB -0.109 31.541 31.700 -0.083 0.000 0.783 59 I N -0.128 120.369 120.570 -0.122 0.000 2.454 59 I HA -0.204 3.967 4.170 0.001 0.000 0.254 59 I C 2.747 178.773 176.117 -0.151 0.000 1.156 59 I CA 0.966 62.167 61.300 -0.166 0.000 1.433 59 I CB -0.107 37.894 38.000 0.001 0.000 1.082 59 I HN -0.169 nan 8.210 nan 0.000 0.432 60 R N 0.457 120.914 120.500 -0.072 0.000 2.081 60 R HA -0.148 4.193 4.340 0.001 0.000 0.235 60 R C 2.207 178.484 176.300 -0.039 0.000 1.131 60 R CA 1.647 57.735 56.100 -0.020 0.000 0.960 60 R CB -0.602 29.687 30.300 -0.018 0.000 0.856 60 R HN 0.466 nan 8.270 nan 0.000 0.436 61 G N 0.734 109.475 108.800 -0.099 0.000 2.422 61 G HA2 -0.187 3.773 3.960 0.001 0.000 0.218 61 G HA3 -0.187 3.773 3.960 0.001 0.000 0.218 61 G C 1.441 176.225 174.900 -0.194 0.000 1.140 61 G CA 0.411 45.447 45.100 -0.107 0.000 0.775 61 G HN 0.221 nan 8.290 nan 0.000 0.545 62 L N -1.158 119.838 121.223 -0.378 0.000 2.027 62 L HA -0.026 4.315 4.340 0.001 0.000 0.206 62 L C 2.538 179.000 176.870 -0.679 0.000 1.074 62 L CA 1.111 55.542 54.840 -0.682 0.000 0.745 62 L CB -0.477 40.785 42.059 -1.329 0.000 0.898 62 L HN 0.250 nan 8.230 nan 0.000 0.433 63 Y N 1.029 120.924 120.300 -0.675 0.000 2.145 63 Y HA -0.323 4.227 4.550 0.001 0.000 0.286 63 Y C 2.751 178.618 175.900 -0.056 0.000 1.145 63 Y CA 1.949 59.917 58.100 -0.221 0.000 1.148 63 Y CB -0.130 38.336 38.460 0.011 0.000 0.981 63 Y HN 0.010 nan 8.280 nan 0.000 0.507 64 K N 0.349 120.835 120.400 0.144 0.000 2.032 64 K HA -0.293 4.027 4.320 0.001 0.000 0.209 64 K C 2.233 178.837 176.600 0.006 0.000 1.048 64 K CA 1.996 58.350 56.287 0.112 0.000 0.927 64 K CB -0.342 32.206 32.500 0.080 0.000 0.712 64 K HN 0.537 nan 8.250 nan 0.000 0.441 65 E N 0.094 120.265 120.200 -0.049 0.000 2.077 65 E HA -0.251 4.100 4.350 0.001 0.000 0.193 65 E C 2.132 178.705 176.600 -0.044 0.000 0.989 65 E CA 1.120 57.493 56.400 -0.045 0.000 0.800 65 E CB 0.007 29.667 29.700 -0.068 0.000 0.746 65 E HN 0.110 nan 8.360 nan 0.000 0.452 66 R N 0.059 120.505 120.500 -0.090 0.000 2.092 66 R HA -0.085 4.255 4.340 0.001 0.000 0.231 66 R C 2.174 178.418 176.300 -0.093 0.000 1.119 66 R CA 1.493 57.540 56.100 -0.089 0.000 0.970 66 R CB -0.387 29.845 30.300 -0.113 0.000 0.864 66 R HN 0.258 nan 8.270 nan 0.000 0.440 67 M N -0.458 119.048 119.600 -0.155 0.000 2.132 67 M HA -0.071 4.409 4.480 0.001 0.000 0.263 67 M C 1.630 177.971 176.300 0.068 0.000 1.065 67 M CA 1.971 57.222 55.300 -0.083 0.000 1.122 67 M CB -0.539 32.025 32.600 -0.061 0.000 1.365 67 M HN 0.107 nan 8.290 nan 0.000 0.411 68 T N 0.428 115.019 114.554 0.060 0.000 2.788 68 T HA -0.123 4.227 4.350 0.001 0.000 0.268 68 T C 1.620 176.382 174.700 0.103 0.000 1.044 68 T CA 1.794 63.952 62.100 0.096 0.000 1.139 68 T CB -0.248 68.656 68.868 0.060 0.000 0.867 68 T HN 0.538 nan 8.240 nan 0.000 0.454 69 E N 0.727 120.972 120.200 0.075 0.000 2.028 69 E HA 0.037 4.387 4.350 0.001 0.000 0.190 69 E C 2.236 178.911 176.600 0.125 0.000 0.984 69 E CA 0.783 57.231 56.400 0.080 0.000 0.800 69 E CB -0.190 29.542 29.700 0.055 0.000 0.758 69 E HN 0.374 nan 8.360 nan 0.000 0.448 70 L N -0.081 121.225 121.223 0.139 0.000 2.156 70 L HA -0.130 4.211 4.340 0.001 0.000 0.208 70 L C 2.382 179.467 176.870 0.359 0.000 1.095 70 L CA 0.705 55.664 54.840 0.198 0.000 0.770 70 L CB -0.258 41.888 42.059 0.145 0.000 0.914 70 L HN 0.189 nan 8.230 nan 0.000 0.439 71 Y N 0.616 121.026 120.300 0.184 0.000 2.571 71 Y HA -0.102 4.448 4.550 0.001 0.000 0.294 71 Y C 1.063 177.028 175.900 0.109 0.000 1.141 71 Y CA 0.203 58.431 58.100 0.213 0.000 1.308 71 Y CB -0.249 38.266 38.460 0.092 0.000 1.002 71 Y HN 0.083 nan 8.280 nan 0.000 0.551 72 D N 1.130 121.606 120.400 0.127 0.000 2.551 72 D HA 0.055 4.695 4.640 0.001 0.000 0.223 72 D C -1.210 175.131 176.300 0.069 0.000 1.144 72 D CA 0.178 54.176 54.000 -0.003 0.000 1.025 72 D CB -1.196 39.630 40.800 0.044 0.000 1.085 72 D HN 0.350 nan 8.370 nan 0.000 0.506 73 Y N -0.349 119.892 120.300 -0.098 0.000 2.553 73 Y HA 0.656 5.207 4.550 0.001 0.000 0.347 73 Y C -2.890 172.967 175.900 -0.072 0.000 1.019 73 Y CA -2.998 55.075 58.100 -0.045 0.000 1.032 73 Y CB 0.726 39.183 38.460 -0.005 0.000 1.284 73 Y HN -0.081 nan 8.280 nan 0.000 0.466 74 P HA 0.118 nan 4.420 nan 0.000 0.267 74 P C -1.416 175.933 177.300 0.082 0.000 1.209 74 P CA -0.008 63.142 63.100 0.084 0.000 0.763 74 P CB 0.904 32.791 31.700 0.311 0.000 0.816 75 K N 3.743 124.051 120.400 -0.153 0.000 2.449 75 K HA 0.389 4.710 4.320 0.001 0.000 0.257 75 K C -0.725 175.911 176.600 0.060 0.000 0.989 75 K CA -0.447 55.818 56.287 -0.036 0.000 0.916 75 K CB 0.952 33.317 32.500 -0.226 0.000 1.136 75 K HN 0.372 nan 8.250 nan 0.000 0.439 76 Y N 0.510 120.985 120.300 0.291 0.000 2.387 76 Y HA 0.288 4.838 4.550 0.001 0.000 0.336 76 Y C 0.909 176.985 175.900 0.293 0.000 1.067 76 Y CA -0.638 57.657 58.100 0.325 0.000 1.114 76 Y CB 1.857 40.416 38.460 0.164 0.000 1.208 76 Y HN 0.561 nan 8.280 nan 0.000 0.458 77 S N 0.442 116.458 115.700 0.527 0.000 2.730 77 S HA 0.423 4.894 4.470 0.001 0.000 0.284 77 S C -0.395 174.454 174.600 0.415 0.000 1.153 77 S CA -0.895 57.574 58.200 0.449 0.000 0.995 77 S CB 0.992 64.518 63.200 0.544 0.000 1.058 77 S HN 0.722 nan 8.310 nan 0.000 0.552 78 c N 2.187 120.998 118.600 0.351 0.000 2.648 78 c HA 0.290 4.861 4.570 0.001 0.000 0.415 78 c C 0.778 174.997 174.090 0.214 0.000 1.366 78 c CA 0.140 56.623 56.329 0.257 0.000 1.756 78 c CB -1.851 40.814 42.510 0.257 0.000 2.549 78 c HN 0.900 nan 8.230 nan 0.000 0.597 79 H N 2.708 121.566 119.070 -0.355 0.000 2.871 79 H HA 0.413 4.970 4.556 0.001 0.000 0.355 79 H C -0.128 174.969 175.328 -0.385 0.000 1.092 79 H CA 1.117 56.791 56.048 -0.623 0.000 1.420 79 H CB 0.270 28.980 29.762 -1.753 0.000 1.400 79 H HN 0.579 nan 8.280 nan 0.000 0.604 80 F N -0.367 119.498 119.950 -0.141 0.000 2.619 80 F HA 0.500 5.027 4.527 0.001 0.000 0.308 80 F C -1.129 174.701 175.800 0.050 0.000 1.097 80 F CA -1.287 56.714 58.000 0.002 0.000 0.953 80 F CB 1.325 40.347 39.000 0.037 0.000 1.287 80 F HN 0.278 nan 8.300 nan 0.000 0.446 81 K N 2.401 122.900 120.400 0.165 0.000 2.182 81 K HA 0.534 4.854 4.320 0.001 0.000 0.262 81 K C -1.292 175.255 176.600 -0.089 0.000 0.957 81 K CA -0.859 55.330 56.287 -0.163 0.000 0.842 81 K CB 1.149 33.445 32.500 -0.339 0.000 1.099 81 K HN 0.660 nan 8.250 nan 0.000 0.438 82 K N 2.457 122.740 120.400 -0.196 0.000 2.613 82 K HA 0.300 4.620 4.320 0.001 0.000 0.248 82 K C -0.025 176.472 176.600 -0.173 0.000 0.959 82 K CA -0.170 55.973 56.287 -0.241 0.000 0.855 82 K CB 1.492 33.560 32.500 -0.719 0.000 1.143 82 K HN 0.974 nan 8.250 nan 0.000 0.437 83 G N 3.655 112.378 108.800 -0.128 0.000 2.550 83 G HA2 -0.397 3.563 3.960 0.001 0.000 0.277 83 G HA3 -0.397 3.563 3.960 0.001 0.000 0.277 83 G C 0.399 175.210 174.900 -0.148 0.000 1.190 83 G CA 0.530 45.569 45.100 -0.102 0.000 0.971 83 G HN 0.663 nan 8.290 nan 0.000 0.559 84 K N 0.669 120.987 120.400 -0.138 0.000 2.458 84 K HA 0.311 4.631 4.320 0.001 0.000 0.194 84 K C 0.926 177.376 176.600 -0.249 0.000 1.024 84 K CA 0.336 56.525 56.287 -0.162 0.000 1.108 84 K CB 0.285 32.727 32.500 -0.098 0.000 0.846 84 K HN 0.539 nan 8.250 nan 0.000 0.518 85 R N 0.245 120.550 120.500 -0.326 0.000 2.854 85 R HA 0.371 4.711 4.340 0.001 0.000 0.271 85 R C -1.257 174.640 176.300 -0.672 0.000 0.996 85 R CA -0.898 54.918 56.100 -0.472 0.000 0.961 85 R CB 1.020 30.977 30.300 -0.572 0.000 1.182 85 R HN -0.033 nan 8.270 nan 0.000 0.479 86 Y N 0.474 120.442 120.300 -0.553 0.000 2.420 86 Y HA 0.484 5.034 4.550 0.001 0.000 0.334 86 Y C -0.386 174.918 175.900 -0.995 0.000 1.094 86 Y CA -0.342 57.441 58.100 -0.529 0.000 1.126 86 Y CB 1.193 39.501 38.460 -0.253 0.000 1.217 86 Y HN 0.349 nan 8.280 nan 0.000 0.462 87 F N 1.533 120.994 119.950 -0.814 0.000 2.603 87 F HA 0.627 5.154 4.527 0.001 0.000 0.317 87 F C -1.034 174.183 175.800 -0.971 0.000 1.066 87 F CA -1.426 55.936 58.000 -1.063 0.000 0.941 87 F CB 1.939 40.000 39.000 -1.565 0.000 1.291 87 F HN 0.409 nan 8.300 nan 0.000 0.472 88 Y N -0.962 119.008 120.300 -0.550 0.000 2.604 88 Y HA 0.684 5.234 4.550 0.001 0.000 0.331 88 Y C -2.157 173.704 175.900 -0.064 0.000 1.158 88 Y CA -2.258 55.693 58.100 -0.249 0.000 1.056 88 Y CB 0.565 38.857 38.460 -0.280 0.000 1.330 88 Y HN 0.388 nan 8.280 nan 0.000 0.457 89 F N 2.829 123.005 119.950 0.377 0.000 2.379 89 F HA 0.613 5.141 4.527 0.001 0.000 0.332 89 F C -0.485 175.590 175.800 0.458 0.000 1.096 89 F CA -0.385 57.807 58.000 0.320 0.000 1.105 89 F CB 1.376 40.536 39.000 0.266 0.000 1.189 89 F HN 0.616 nan 8.300 nan 0.000 0.515 90 Y N 2.907 123.441 120.300 0.390 0.000 2.519 90 Y HA 0.396 4.946 4.550 0.001 0.000 0.336 90 Y C -1.820 174.126 175.900 0.077 0.000 1.089 90 Y CA -1.586 56.586 58.100 0.121 0.000 1.025 90 Y CB 1.469 39.923 38.460 -0.010 0.000 1.318 90 Y HN 0.588 nan 8.280 nan 0.000 0.452 91 N N 2.765 121.098 118.700 -0.611 0.000 2.399 91 N HA 0.178 4.918 4.740 0.001 0.000 0.284 91 N C 0.443 175.366 175.510 -0.979 0.000 1.025 91 N CA 0.294 52.974 53.050 -0.617 0.000 0.885 91 N CB 2.054 40.345 38.487 -0.328 0.000 1.339 91 N HN 0.864 nan 8.380 nan 0.000 0.487 92 T N 0.335 114.348 114.554 -0.902 0.000 2.822 92 T HA 0.059 4.409 4.350 0.001 0.000 0.270 92 T C 1.178 175.671 174.700 -0.346 0.000 1.064 92 T CA 1.656 63.396 62.100 -0.599 0.000 1.131 92 T CB 0.062 68.761 68.868 -0.282 0.000 0.858 92 T HN 0.660 nan 8.240 nan 0.000 0.483 93 G N 0.677 109.260 108.800 -0.362 0.000 4.366 93 G HA2 0.082 4.042 3.960 0.001 0.000 0.194 93 G HA3 0.082 4.042 3.960 0.001 0.000 0.194 93 G C 0.575 175.278 174.900 -0.328 0.000 1.275 93 G CA -0.066 44.824 45.100 -0.350 0.000 0.847 93 G HN 0.425 nan 8.290 nan 0.000 0.299 94 L N 1.853 122.968 121.223 -0.180 0.000 3.014 94 L HA 0.384 4.725 4.340 0.001 0.000 0.263 94 L C 0.676 177.512 176.870 -0.057 0.000 1.207 94 L CA -0.149 54.642 54.840 -0.082 0.000 1.017 94 L CB 0.779 42.828 42.059 -0.017 0.000 1.360 94 L HN 0.227 nan 8.230 nan 0.000 0.560 95 Q N 0.384 120.123 119.800 -0.103 0.000 2.395 95 Q HA 0.017 4.358 4.340 0.001 0.000 0.271 95 Q C 0.549 176.529 176.000 -0.033 0.000 1.026 95 Q CA -0.215 55.546 55.803 -0.069 0.000 0.900 95 Q CB 0.819 29.498 28.738 -0.098 0.000 1.266 95 Q HN 0.175 nan 8.270 nan 0.000 0.430 96 N N 0.783 119.476 118.700 -0.011 0.000 2.166 96 N HA -0.113 4.627 4.740 0.001 0.000 0.186 96 N C -0.182 175.334 175.510 0.011 0.000 1.019 96 N CA 1.281 54.337 53.050 0.010 0.000 0.856 96 N CB 0.338 38.831 38.487 0.010 0.000 0.993 96 N HN 0.480 nan 8.380 nan 0.000 0.426 97 Q N 0.384 120.183 119.800 -0.002 0.000 2.372 97 Q HA 0.252 4.592 4.340 0.001 0.000 0.273 97 Q C -0.382 175.620 176.000 0.003 0.000 1.078 97 Q CA -0.563 55.244 55.803 0.006 0.000 0.806 97 Q CB 2.689 31.436 28.738 0.015 0.000 1.332 97 Q HN 0.338 nan 8.270 nan 0.000 0.435 98 R N -0.430 120.083 120.500 0.021 0.000 2.694 98 R HA 0.518 4.858 4.340 0.001 0.000 0.268 98 R C -0.377 176.023 176.300 0.167 0.000 1.061 98 R CA -0.444 55.699 56.100 0.071 0.000 1.133 98 R CB 0.208 30.572 30.300 0.105 0.000 1.020 98 R HN 0.188 nan 8.270 nan 0.000 0.475 99 V N 2.919 122.949 119.914 0.193 0.000 2.581 99 V HA 0.229 4.350 4.120 0.001 0.000 0.303 99 V C -0.371 175.780 176.094 0.095 0.000 1.041 99 V CA -1.121 61.232 62.300 0.088 0.000 0.907 99 V CB 1.549 33.314 31.823 -0.097 0.000 0.994 99 V HN 0.583 nan 8.190 nan 0.000 0.442 100 L N 5.208 126.349 121.223 -0.137 0.000 2.265 100 L HA 0.518 4.858 4.340 0.001 0.000 0.288 100 L C -0.960 175.629 176.870 -0.467 0.000 1.058 100 L CA 0.275 54.857 54.840 -0.431 0.000 0.809 100 L CB 0.315 42.092 42.059 -0.471 0.000 1.179 100 L HN 0.526 nan 8.230 nan 0.000 0.429 101 Y N 3.469 123.433 120.300 -0.561 0.000 2.528 101 Y HA 0.719 5.269 4.550 0.001 0.000 0.335 101 Y C -0.160 175.335 175.900 -0.674 0.000 1.093 101 Y CA -0.497 57.236 58.100 -0.611 0.000 1.134 101 Y CB 2.083 39.940 38.460 -1.006 0.000 1.253 101 Y HN 0.406 nan 8.280 nan 0.000 0.478 102 V N 2.736 122.412 119.914 -0.397 0.000 2.925 102 V HA 0.608 4.729 4.120 0.001 0.000 0.311 102 V C -1.753 174.093 176.094 -0.412 0.000 1.104 102 V CA -0.453 61.413 62.300 -0.722 0.000 0.954 102 V CB 2.046 33.326 31.823 -0.905 0.000 1.022 102 V HN 0.891 nan 8.190 nan 0.000 0.427 103 Q N 2.853 122.394 119.800 -0.432 0.000 2.377 103 Q HA 0.494 4.835 4.340 0.001 0.000 0.279 103 Q C -1.149 174.743 176.000 -0.180 0.000 1.049 103 Q CA -0.863 54.828 55.803 -0.186 0.000 0.825 103 Q CB 2.130 30.852 28.738 -0.026 0.000 1.401 103 Q HN 0.571 nan 8.270 nan 0.000 0.404 104 D N 1.115 121.449 120.400 -0.109 0.000 2.363 104 D HA 0.017 4.657 4.640 0.001 0.000 0.220 104 D C 0.098 176.415 176.300 0.029 0.000 0.994 104 D CA 1.263 55.215 54.000 -0.080 0.000 0.890 104 D CB 0.440 41.197 40.800 -0.071 0.000 0.906 104 D HN 0.627 nan 8.370 nan 0.000 0.530 105 S N -1.736 114.028 115.700 0.106 0.000 2.611 105 S HA 0.212 4.682 4.470 0.001 0.000 0.270 105 S C 0.417 175.033 174.600 0.025 0.000 1.131 105 S CA -0.801 57.503 58.200 0.172 0.000 0.826 105 S CB 0.437 63.682 63.200 0.075 0.000 1.095 105 S HN -0.066 nan 8.310 nan 0.000 0.461 106 L N 0.700 121.830 121.223 -0.155 0.000 2.265 106 L HA 0.016 4.357 4.340 0.001 0.000 0.215 106 L C 1.982 178.778 176.870 -0.124 0.000 1.117 106 L CA 1.347 56.037 54.840 -0.251 0.000 0.782 106 L CB -0.522 41.325 42.059 -0.355 0.000 0.914 106 L HN 0.780 nan 8.230 nan 0.000 0.441 107 E N -0.351 119.799 120.200 -0.083 0.000 2.481 107 E HA 0.117 4.467 4.350 0.001 0.000 0.198 107 E C 1.053 177.620 176.600 -0.055 0.000 1.027 107 E CA -0.146 56.209 56.400 -0.075 0.000 0.900 107 E CB 0.401 30.064 29.700 -0.061 0.000 0.993 107 E HN 0.364 nan 8.360 nan 0.000 0.482 108 G N 1.460 110.238 108.800 -0.037 0.000 2.476 108 G HA2 0.064 4.024 3.960 0.001 0.000 0.269 108 G HA3 0.064 4.024 3.960 0.001 0.000 0.269 108 G C -0.569 174.316 174.900 -0.026 0.000 1.195 108 G CA -0.490 44.594 45.100 -0.027 0.000 0.843 108 G HN 0.050 nan 8.290 nan 0.000 0.545 109 E N 0.442 120.628 120.200 -0.023 0.000 2.366 109 E HA 0.380 4.731 4.350 0.001 0.000 0.266 109 E C 0.597 177.199 176.600 0.003 0.000 1.015 109 E CA -0.426 55.967 56.400 -0.013 0.000 0.906 109 E CB 0.476 30.169 29.700 -0.011 0.000 0.979 109 E HN 0.543 nan 8.360 nan 0.000 0.443 110 A N 5.173 128.013 122.820 0.032 0.000 2.322 110 A HA 0.487 4.807 4.320 0.001 0.000 0.269 110 A C -0.239 177.410 177.584 0.108 0.000 1.094 110 A CA -0.462 51.617 52.037 0.071 0.000 0.807 110 A CB 0.558 19.652 19.000 0.157 0.000 1.047 110 A HN 0.811 nan 8.150 nan 0.000 0.487 111 R N 0.353 120.916 120.500 0.105 0.000 2.771 111 R HA 0.635 4.975 4.340 0.001 0.000 0.274 111 R C -1.664 174.647 176.300 0.018 0.000 0.987 111 R CA -0.837 55.320 56.100 0.094 0.000 0.908 111 R CB 1.030 31.338 30.300 0.013 0.000 1.213 111 R HN 0.307 nan 8.270 nan 0.000 0.468 112 V N 2.979 122.821 119.914 -0.119 0.000 2.540 112 V HA -0.019 4.101 4.120 0.001 0.000 0.297 112 V C 0.372 176.328 176.094 -0.230 0.000 1.024 112 V CA 0.483 62.525 62.300 -0.430 0.000 1.105 112 V CB 0.201 31.815 31.823 -0.349 0.000 0.938 112 V HN 0.733 nan 8.190 nan 0.000 0.482 113 F N 5.741 125.433 119.950 -0.429 0.000 2.419 113 F HA 0.467 4.994 4.527 0.001 0.000 0.283 113 F C 0.276 175.893 175.800 -0.306 0.000 1.044 113 F CA 0.308 58.123 58.000 -0.309 0.000 1.376 113 F CB 0.597 39.433 39.000 -0.274 0.000 1.131 113 F HN 0.352 nan 8.300 nan 0.000 0.585 114 L N 1.337 122.325 121.223 -0.392 0.000 2.528 114 L HA 0.375 4.716 4.340 0.001 0.000 0.267 114 L C -1.883 174.831 176.870 -0.261 0.000 0.961 114 L CA -0.394 54.200 54.840 -0.411 0.000 0.866 114 L CB 1.206 43.010 42.059 -0.425 0.000 1.248 114 L HN -0.003 nan 8.230 nan 0.000 0.404 115 D N 6.215 126.479 120.400 -0.227 0.000 2.460 115 D HA 0.488 5.129 4.640 0.001 0.000 0.232 115 D C -2.068 174.177 176.300 -0.092 0.000 1.079 115 D CA -2.033 51.876 54.000 -0.152 0.000 0.864 115 D CB 2.198 42.904 40.800 -0.157 0.000 1.048 115 D HN 0.317 nan 8.370 nan 0.000 0.523 116 P HA -0.010 nan 4.420 nan 0.000 0.223 116 P C 1.065 178.359 177.300 -0.011 0.000 1.151 116 P CA 0.413 63.506 63.100 -0.012 0.000 0.787 116 P CB 0.361 32.077 31.700 0.025 0.000 0.788 117 N N 0.430 119.117 118.700 -0.021 0.000 2.205 117 N HA -0.125 4.616 4.740 0.001 0.000 0.186 117 N C 1.637 177.135 175.510 -0.019 0.000 1.015 117 N CA 1.261 54.300 53.050 -0.019 0.000 0.862 117 N CB -0.481 37.991 38.487 -0.025 0.000 0.986 117 N HN 0.338 nan 8.380 nan 0.000 0.429 118 I N -1.853 118.701 120.570 -0.028 0.000 3.444 118 I HA 0.018 4.188 4.170 0.001 0.000 0.287 118 I C 1.335 177.443 176.117 -0.015 0.000 1.302 118 I CA 0.530 61.815 61.300 -0.024 0.000 1.368 118 I CB -0.273 37.706 38.000 -0.035 0.000 1.048 118 I HN -0.064 nan 8.210 nan 0.000 0.487 119 L N 1.174 122.392 121.223 -0.008 0.000 2.509 119 L HA 0.192 4.532 4.340 0.001 0.000 0.222 119 L C 0.724 177.596 176.870 0.003 0.000 1.123 119 L CA 0.190 55.032 54.840 0.004 0.000 0.856 119 L CB -0.299 41.771 42.059 0.018 0.000 0.985 119 L HN 0.551 nan 8.230 nan 0.000 0.456 120 S N -3.688 112.012 115.700 -0.001 0.000 2.547 120 S HA 0.250 4.721 4.470 0.001 0.000 0.270 120 S C -0.191 174.407 174.600 -0.003 0.000 1.150 120 S CA -0.820 57.378 58.200 -0.002 0.000 0.850 120 S CB 1.730 64.928 63.200 -0.003 0.000 1.118 120 S HN -0.116 nan 8.310 nan 0.000 0.461 121 D N 1.052 121.451 120.400 -0.003 0.000 2.144 121 D HA -0.008 4.632 4.640 0.001 0.000 0.200 121 D C 1.004 177.304 176.300 0.000 0.000 0.978 121 D CA 2.005 56.004 54.000 -0.001 0.000 0.833 121 D CB -0.054 40.746 40.800 0.000 0.000 0.961 121 D HN 0.799 nan 8.370 nan 0.000 0.470 122 D N -1.722 118.678 120.400 -0.000 0.000 2.368 122 D HA 0.191 4.831 4.640 0.001 0.000 0.218 122 D C 1.156 177.458 176.300 0.002 0.000 1.112 122 D CA 0.277 54.279 54.000 0.002 0.000 0.834 122 D CB -0.231 40.570 40.800 0.001 0.000 0.953 122 D HN 0.101 nan 8.370 nan 0.000 0.505 123 G N 1.006 109.807 108.800 0.001 0.000 2.249 123 G HA2 -0.319 3.641 3.960 0.001 0.000 0.273 123 G HA3 -0.319 3.641 3.960 0.001 0.000 0.273 123 G C 0.860 175.762 174.900 0.003 0.000 1.036 123 G CA 0.927 46.029 45.100 0.003 0.000 0.824 123 G HN 0.594 nan 8.290 nan 0.000 0.504 124 T N -3.406 111.144 114.554 -0.006 0.000 3.107 124 T HA 0.489 4.839 4.350 0.001 0.000 0.249 124 T C 0.626 175.319 174.700 -0.011 0.000 1.096 124 T CA 0.391 62.482 62.100 -0.016 0.000 1.012 124 T CB 1.011 69.855 68.868 -0.040 0.000 0.977 124 T HN 0.550 nan 8.240 nan 0.000 0.527 125 V N 1.943 121.860 119.914 0.003 0.000 2.370 125 V HA 0.800 4.921 4.120 0.001 0.000 0.283 125 V C 0.097 176.211 176.094 0.034 0.000 1.023 125 V CA -0.821 61.490 62.300 0.019 0.000 0.857 125 V CB 0.716 32.552 31.823 0.022 0.000 0.985 125 V HN 0.671 nan 8.190 nan 0.000 0.443 126 A N 4.567 127.415 122.820 0.046 0.000 2.469 126 A HA 0.868 5.188 4.320 0.001 0.000 0.299 126 A C -0.974 176.662 177.584 0.087 0.000 1.098 126 A CA -0.772 51.299 52.037 0.057 0.000 0.737 126 A CB 1.556 20.581 19.000 0.042 0.000 1.312 126 A HN 0.851 nan 8.150 nan 0.000 0.414 127 L N 0.923 122.210 121.223 0.106 0.000 2.416 127 L HA 0.527 4.868 4.340 0.001 0.000 0.272 127 L C 0.508 177.456 176.870 0.130 0.000 1.161 127 L CA 0.633 55.571 54.840 0.163 0.000 0.845 127 L CB 0.332 42.516 42.059 0.209 0.000 1.119 127 L HN 0.685 nan 8.230 nan 0.000 0.464 128 R N 4.405 124.987 120.500 0.137 0.000 2.607 128 R HA 0.547 4.887 4.340 0.001 0.000 0.278 128 R C -0.648 175.712 176.300 0.099 0.000 1.637 128 R CA 0.164 56.323 56.100 0.099 0.000 1.325 128 R CB 0.417 30.759 30.300 0.070 0.000 1.211 128 R HN 1.091 nan 8.270 nan 0.000 0.565 129 G N 2.887 111.761 108.800 0.122 0.000 2.721 129 G HA2 -0.208 3.753 3.960 0.001 0.000 0.686 129 G HA3 -0.208 3.753 3.960 0.001 0.000 0.686 129 G C -1.433 173.555 174.900 0.146 0.000 1.236 129 G CA -0.221 44.914 45.100 0.058 0.000 0.786 129 G HN 0.739 nan 8.290 nan 0.000 0.616 130 Y N -2.337 117.991 120.300 0.046 0.000 2.677 130 Y HA 0.901 5.451 4.550 0.001 0.000 0.334 130 Y C -0.288 175.627 175.900 0.025 0.000 1.196 130 Y CA -1.093 56.974 58.100 -0.055 0.000 1.059 130 Y CB 0.931 39.400 38.460 0.016 0.000 1.315 130 Y HN 2.274 nan 8.280 nan 0.000 0.455 131 A N 1.826 124.739 122.820 0.156 0.000 2.491 131 A HA 0.681 5.001 4.320 0.001 0.000 0.293 131 A C -2.145 175.712 177.584 0.455 0.000 1.047 131 A CA -0.594 51.652 52.037 0.349 0.000 0.735 131 A CB 0.435 19.653 19.000 0.362 0.000 1.281 131 A HN 0.608 nan 8.150 nan 0.000 0.398 132 F N 1.895 122.097 119.950 0.420 0.000 2.371 132 F HA 0.492 5.020 4.527 0.001 0.000 0.329 132 F C 1.569 177.230 175.800 -0.231 0.000 1.107 132 F CA 0.537 58.653 58.000 0.193 0.000 1.137 132 F CB 1.662 40.738 39.000 0.126 0.000 1.214 132 F HN 0.691 nan 8.300 nan 0.000 0.536 133 S N 0.577 115.917 115.700 -0.601 0.000 2.596 133 S HA 0.014 4.484 4.470 0.001 0.000 0.260 133 S C 1.113 175.588 174.600 -0.208 0.000 1.336 133 S CA -0.432 57.226 58.200 -0.903 0.000 0.993 133 S CB 0.836 63.470 63.200 -0.943 0.000 0.923 133 S HN 0.722 nan 8.310 nan 0.000 0.567 134 E N 1.184 121.301 120.200 -0.139 0.000 2.110 134 E HA -0.206 4.145 4.350 0.001 0.000 0.193 134 E C 1.247 177.785 176.600 -0.104 0.000 0.988 134 E CA 1.929 58.226 56.400 -0.171 0.000 0.804 134 E CB -0.444 28.986 29.700 -0.450 0.000 0.745 134 E HN 0.847 nan 8.360 nan 0.000 0.458 135 D N -1.345 119.014 120.400 -0.068 0.000 2.349 135 D HA 0.069 4.710 4.640 0.001 0.000 0.224 135 D C 1.339 177.624 176.300 -0.025 0.000 1.029 135 D CA 0.813 54.795 54.000 -0.030 0.000 0.879 135 D CB -0.277 40.527 40.800 0.007 0.000 0.906 135 D HN 0.307 nan 8.370 nan 0.000 0.528 136 G N 0.491 109.280 108.800 -0.018 0.000 2.155 136 G HA2 -0.318 3.642 3.960 0.001 0.000 0.257 136 G HA3 -0.318 3.642 3.960 0.001 0.000 0.257 136 G C 0.869 175.813 174.900 0.073 0.000 0.983 136 G CA 0.448 45.563 45.100 0.026 0.000 0.676 136 G HN 0.387 nan 8.290 nan 0.000 0.528 137 E N -1.224 118.989 120.200 0.023 0.000 2.447 137 E HA 0.196 4.546 4.350 0.001 0.000 0.195 137 E C 0.230 176.649 176.600 -0.302 0.000 1.028 137 E CA 0.484 56.833 56.400 -0.085 0.000 0.876 137 E CB 0.303 29.964 29.700 -0.066 0.000 0.885 137 E HN 0.649 nan 8.360 nan 0.000 0.500 138 Y N -0.640 119.661 120.300 0.001 0.000 2.536 138 Y HA 0.450 5.001 4.550 0.001 0.000 0.347 138 Y C -0.812 175.158 175.900 0.116 0.000 1.000 138 Y CA -1.284 56.839 58.100 0.038 0.000 1.051 138 Y CB 1.741 40.112 38.460 -0.148 0.000 1.259 138 Y HN -0.205 nan 8.280 nan 0.000 0.468 139 F N 1.915 122.028 119.950 0.272 0.000 2.573 139 F HA 0.822 5.349 4.527 0.001 0.000 0.316 139 F C -1.288 174.685 175.800 0.288 0.000 1.148 139 F CA -0.904 57.134 58.000 0.063 0.000 0.940 139 F CB 1.018 39.929 39.000 -0.149 0.000 1.214 139 F HN 0.518 nan 8.300 nan 0.000 0.448 140 A N 5.576 128.227 122.820 -0.283 0.000 2.330 140 A HA 0.781 5.101 4.320 0.001 0.000 0.327 140 A C -2.015 175.079 177.584 -0.817 0.000 1.155 140 A CA -0.476 51.132 52.037 -0.716 0.000 0.803 140 A CB 0.623 19.167 19.000 -0.760 0.000 1.208 140 A HN 0.959 nan 8.150 nan 0.000 0.477 141 Y N -0.363 119.456 120.300 -0.801 0.000 2.504 141 Y HA 0.745 5.295 4.550 0.001 0.000 0.344 141 Y C 0.094 175.828 175.900 -0.277 0.000 1.023 141 Y CA -1.092 56.711 58.100 -0.496 0.000 1.020 141 Y CB 0.855 39.060 38.460 -0.425 0.000 1.282 141 Y HN 0.817 nan 8.280 nan 0.000 0.454 142 G N 3.064 111.818 108.800 -0.077 0.000 2.389 142 G HA2 0.628 4.589 3.960 0.001 0.000 0.317 142 G HA3 0.628 4.589 3.960 0.001 0.000 0.317 142 G C -1.560 173.367 174.900 0.046 0.000 1.137 142 G CA -1.038 44.010 45.100 -0.088 0.000 0.870 142 G HN 0.744 nan 8.290 nan 0.000 0.496 143 L N 1.155 122.383 121.223 0.009 0.000 2.381 143 L HA 0.464 4.804 4.340 0.001 0.000 0.274 143 L C -0.176 176.726 176.870 0.053 0.000 0.988 143 L CA -0.655 54.227 54.840 0.070 0.000 0.824 143 L CB 2.377 44.479 42.059 0.072 0.000 1.263 143 L HN 0.420 nan 8.230 nan 0.000 0.410 144 S N 1.756 117.495 115.700 0.066 0.000 2.482 144 S HA 0.778 5.249 4.470 0.001 0.000 0.303 144 S C -0.279 174.352 174.600 0.051 0.000 1.091 144 S CA -0.610 57.631 58.200 0.068 0.000 1.057 144 S CB 1.969 65.211 63.200 0.070 0.000 1.031 144 S HN 0.654 nan 8.310 nan 0.000 0.485 145 A N 1.598 124.446 122.820 0.047 0.000 2.317 145 A HA 0.732 5.052 4.320 0.001 0.000 0.327 145 A C 0.662 178.221 177.584 -0.042 0.000 1.178 145 A CA -0.605 51.435 52.037 0.004 0.000 0.817 145 A CB 0.206 19.205 19.000 -0.001 0.000 1.189 145 A HN 1.164 nan 8.150 nan 0.000 0.489 146 S N 0.668 116.306 115.700 -0.104 0.000 3.521 146 S HA -0.172 4.299 4.470 0.001 0.000 0.328 146 S C 1.410 175.952 174.600 -0.097 0.000 1.165 146 S CA 1.844 59.913 58.200 -0.218 0.000 0.941 146 S CB -1.566 61.245 63.200 -0.649 0.000 0.951 146 S HN 2.807 nan 8.310 nan 0.000 0.539 147 G N -0.126 108.674 108.800 0.000 0.000 2.179 147 G HA2 -0.318 3.642 3.960 0.001 0.000 0.260 147 G HA3 -0.318 3.642 3.960 0.001 0.000 0.260 147 G C 0.182 175.145 174.900 0.106 0.000 0.977 147 G CA 0.787 45.923 45.100 0.060 0.000 0.641 147 G HN 1.511 nan 8.290 nan 0.000 0.533 148 S N -0.136 115.640 115.700 0.127 0.000 2.579 148 S HA 0.357 4.827 4.470 0.001 0.000 0.275 148 S C 1.321 175.967 174.600 0.077 0.000 1.345 148 S CA 0.515 58.808 58.200 0.155 0.000 1.031 148 S CB 0.648 64.005 63.200 0.263 0.000 0.892 148 S HN 0.194 nan 8.310 nan 0.000 0.529 149 D N 2.134 122.515 120.400 -0.033 0.000 2.269 149 D HA 0.013 4.653 4.640 0.001 0.000 0.208 149 D C -0.020 176.143 176.300 -0.228 0.000 0.963 149 D CA 0.327 54.218 54.000 -0.181 0.000 0.864 149 D CB -0.012 40.564 40.800 -0.373 0.000 0.936 149 D HN 0.610 nan 8.370 nan 0.000 0.505 150 W N 0.712 121.945 121.300 -0.113 0.000 2.231 150 W HA 0.138 4.799 4.660 0.001 0.000 0.341 150 W C 0.260 176.741 176.519 -0.063 0.000 1.298 150 W CA -0.281 57.005 57.345 -0.098 0.000 1.266 150 W CB 0.649 30.077 29.460 -0.053 0.000 1.172 150 W HN -0.368 nan 8.180 nan 0.000 0.568 151 V N 2.840 122.918 119.914 0.273 0.000 2.876 151 V HA 0.440 4.560 4.120 0.001 0.000 0.312 151 V C -0.252 175.887 176.094 0.076 0.000 1.085 151 V CA -0.900 61.474 62.300 0.123 0.000 0.945 151 V CB 2.398 34.259 31.823 0.064 0.000 1.017 151 V HN 0.398 nan 8.190 nan 0.000 0.428 152 T N 5.232 119.781 114.554 -0.009 0.000 2.786 152 T HA 0.600 4.950 4.350 0.001 0.000 0.283 152 T C -0.307 174.282 174.700 -0.184 0.000 0.992 152 T CA -0.116 61.934 62.100 -0.083 0.000 0.954 152 T CB 0.650 69.469 68.868 -0.081 0.000 0.934 152 T HN 0.368 nan 8.240 nan 0.000 0.440 153 I N 3.919 124.333 120.570 -0.259 0.000 2.365 153 I HA 0.392 4.562 4.170 0.001 0.000 0.291 153 I C 0.498 176.310 176.117 -0.509 0.000 1.004 153 I CA -0.514 60.521 61.300 -0.441 0.000 1.311 153 I CB 0.915 38.625 38.000 -0.483 0.000 1.401 153 I HN 0.339 nan 8.210 nan 0.000 0.491 154 K N 5.319 125.209 120.400 -0.851 0.000 2.350 154 K HA 0.689 5.009 4.320 0.001 0.000 0.241 154 K C -1.407 174.708 176.600 -0.809 0.000 0.994 154 K CA -0.728 55.141 56.287 -0.697 0.000 0.839 154 K CB 2.317 34.376 32.500 -0.736 0.000 1.244 154 K HN 0.206 nan 8.250 nan 0.000 0.443 155 F N 0.738 120.592 119.950 -0.160 0.000 2.577 155 F HA 0.571 5.099 4.527 0.001 0.000 0.318 155 F C -0.131 175.853 175.800 0.307 0.000 1.065 155 F CA -0.793 57.284 58.000 0.128 0.000 0.929 155 F CB 1.805 40.897 39.000 0.154 0.000 1.237 155 F HN 0.170 nan 8.300 nan 0.000 0.468 156 M N 1.487 121.448 119.600 0.601 0.000 2.531 156 M HA 0.340 4.820 4.480 0.001 0.000 0.286 156 M C -1.106 175.454 176.300 0.433 0.000 1.232 156 M CA -0.836 54.735 55.300 0.453 0.000 0.877 156 M CB 3.064 35.881 32.600 0.361 0.000 1.726 156 M HN 0.477 nan 8.290 nan 0.000 0.463 157 K N 1.407 121.948 120.400 0.236 0.000 2.234 157 K HA 0.396 4.717 4.320 0.001 0.000 0.277 157 K C 0.296 176.921 176.600 0.043 0.000 1.038 157 K CA -0.352 55.888 56.287 -0.077 0.000 0.888 157 K CB 1.312 33.757 32.500 -0.092 0.000 1.091 157 K HN 0.609 nan 8.250 nan 0.000 0.467 158 V N 2.402 122.339 119.914 0.039 0.000 2.252 158 V HA -0.233 3.888 4.120 0.001 0.000 0.249 158 V C 0.790 176.988 176.094 0.173 0.000 1.056 158 V CA 1.716 64.163 62.300 0.244 0.000 1.022 158 V CB -0.525 31.379 31.823 0.134 0.000 0.641 158 V HN 0.888 nan 8.190 nan 0.000 0.445 159 D N -0.055 120.356 120.400 0.018 0.000 2.389 159 D HA 0.337 4.977 4.640 0.001 0.000 0.263 159 D C 1.108 177.427 176.300 0.031 0.000 1.255 159 D CA 1.162 55.167 54.000 0.009 0.000 0.914 159 D CB 0.223 41.006 40.800 -0.028 0.000 1.116 159 D HN 0.474 nan 8.370 nan 0.000 0.502 160 G N 3.205 112.033 108.800 0.046 0.000 2.176 160 G HA2 -0.157 3.803 3.960 0.001 0.000 0.253 160 G HA3 -0.157 3.803 3.960 0.001 0.000 0.253 160 G C 0.764 175.684 174.900 0.034 0.000 0.979 160 G CA 0.458 45.577 45.100 0.033 0.000 0.641 160 G HN 1.720 nan 8.290 nan 0.000 0.530 161 A N -1.171 121.699 122.820 0.083 0.000 2.560 161 A HA -0.077 4.243 4.320 0.001 0.000 0.299 161 A C 0.695 178.249 177.584 -0.050 0.000 1.484 161 A CA 2.086 54.106 52.037 -0.028 0.000 0.749 161 A CB -1.143 17.747 19.000 -0.182 0.000 1.072 161 A HN 0.926 nan 8.150 nan 0.000 0.426 162 K N 1.176 121.591 120.400 0.024 0.000 2.227 162 K HA 0.299 4.619 4.320 0.001 0.000 0.280 162 K C 0.306 176.958 176.600 0.086 0.000 1.041 162 K CA -0.217 56.097 56.287 0.044 0.000 0.905 162 K CB 0.816 33.355 32.500 0.064 0.000 1.068 162 K HN 0.717 nan 8.250 nan 0.000 0.470 163 E N 2.886 123.131 120.200 0.074 0.000 2.344 163 E HA 0.117 4.467 4.350 0.001 0.000 0.270 163 E C -0.108 176.576 176.600 0.141 0.000 1.021 163 E CA -0.057 56.414 56.400 0.118 0.000 0.887 163 E CB 0.678 30.428 29.700 0.083 0.000 0.997 163 E HN 0.262 nan 8.360 nan 0.000 0.429 164 L N 4.493 125.833 121.223 0.196 0.000 2.352 164 L HA 0.304 4.644 4.340 0.001 0.000 0.269 164 L C -1.221 175.723 176.870 0.124 0.000 1.034 164 L CA -1.777 53.170 54.840 0.177 0.000 0.806 164 L CB 1.100 43.311 42.059 0.253 0.000 1.244 164 L HN 0.490 nan 8.230 nan 0.000 0.447 165 P HA -0.018 nan 4.420 nan 0.000 0.231 165 P C -0.408 176.897 177.300 0.009 0.000 1.168 165 P CA 0.216 63.336 63.100 0.033 0.000 0.779 165 P CB -0.027 31.681 31.700 0.013 0.000 0.844 166 D N 0.446 120.840 120.400 -0.009 0.000 2.487 166 D HA 0.186 4.826 4.640 0.001 0.000 0.243 166 D C -0.164 176.137 176.300 0.001 0.000 1.154 166 D CA 0.643 54.587 54.000 -0.094 0.000 0.876 166 D CB 0.494 41.045 40.800 -0.416 0.000 1.161 166 D HN -0.105 nan 8.370 nan 0.000 0.478 167 V N 3.526 123.373 119.914 -0.112 0.000 2.668 167 V HA 0.323 4.443 4.120 0.001 0.000 0.304 167 V C -0.458 175.498 176.094 -0.230 0.000 1.071 167 V CA -0.831 61.397 62.300 -0.121 0.000 0.894 167 V CB 1.572 33.337 31.823 -0.096 0.000 1.008 167 V HN 0.379 nan 8.190 nan 0.000 0.425 168 L N 4.378 125.441 121.223 -0.267 0.000 2.333 168 L HA 0.706 5.046 4.340 0.001 0.000 0.280 168 L C -0.095 176.653 176.870 -0.204 0.000 1.004 168 L CA -0.523 54.109 54.840 -0.347 0.000 0.820 168 L CB 1.835 43.513 42.059 -0.636 0.000 1.247 168 L HN 0.535 nan 8.230 nan 0.000 0.416 169 E N 2.731 122.852 120.200 -0.131 0.000 2.281 169 E HA 0.476 4.827 4.350 0.001 0.000 0.257 169 E C -0.059 176.556 176.600 0.025 0.000 0.971 169 E CA -0.807 55.551 56.400 -0.070 0.000 0.839 169 E CB 1.214 30.856 29.700 -0.098 0.000 1.238 169 E HN 0.364 nan 8.360 nan 0.000 0.412 170 R N -1.497 119.017 120.500 0.023 0.000 3.875 170 R HA -0.122 4.218 4.340 0.001 0.000 0.321 170 R C -0.441 176.154 176.300 0.492 0.000 1.196 170 R CA 0.258 56.459 56.100 0.168 0.000 0.868 170 R CB -2.823 27.565 30.300 0.147 0.000 1.333 170 R HN 0.254 nan 8.270 nan 0.000 0.522 171 V N 1.136 121.294 119.914 0.407 0.000 2.498 171 V HA 0.479 4.599 4.120 0.001 0.000 0.279 171 V C 0.652 176.965 176.094 0.365 0.000 1.048 171 V CA -0.040 62.492 62.300 0.386 0.000 0.967 171 V CB 1.946 33.904 31.823 0.226 0.000 0.988 171 V HN 0.158 nan 8.190 nan 0.000 0.473 172 K N 3.693 124.237 120.400 0.241 0.000 2.569 172 K HA 0.403 4.724 4.320 0.001 0.000 0.259 172 K C -1.121 175.458 176.600 -0.034 0.000 0.932 172 K CA -0.794 55.392 56.287 -0.168 0.000 0.833 172 K CB 1.113 33.217 32.500 -0.660 0.000 1.340 172 K HN 0.328 nan 8.250 nan 0.000 0.429 173 F N -0.244 119.775 119.950 0.115 0.000 2.943 173 F HA -0.225 4.302 4.527 0.001 0.000 0.258 173 F C 0.176 176.044 175.800 0.113 0.000 0.995 173 F CA 0.786 58.847 58.000 0.101 0.000 0.896 173 F CB -1.937 37.133 39.000 0.117 0.000 0.821 173 F HN 0.312 nan 8.300 nan 0.000 0.828 174 S N -0.236 115.596 115.700 0.220 0.000 2.565 174 S HA 0.721 5.191 4.470 0.001 0.000 0.290 174 S C 0.358 175.056 174.600 0.163 0.000 1.150 174 S CA -0.313 58.004 58.200 0.194 0.000 1.058 174 S CB 0.932 64.258 63.200 0.210 0.000 1.032 174 S HN 0.615 nan 8.310 nan 0.000 0.510 175 C N 3.879 123.280 119.300 0.167 0.000 2.403 175 C HA 0.783 5.244 4.460 0.001 0.000 0.361 175 C C -0.132 174.973 174.990 0.191 0.000 1.274 175 C CA -0.862 58.252 59.018 0.158 0.000 2.433 175 C CB -0.453 27.380 27.740 0.155 0.000 2.323 175 C HN 0.814 nan 8.230 nan 0.000 0.614 176 M N 2.187 121.897 119.600 0.183 0.000 2.164 176 M HA 0.516 4.996 4.480 0.001 0.000 0.260 176 M C -0.730 175.721 176.300 0.252 0.000 0.974 176 M CA 0.004 55.410 55.300 0.177 0.000 1.020 176 M CB 1.799 34.447 32.600 0.080 0.000 1.903 176 M HN 1.027 nan 8.290 nan 0.000 0.469 177 A N 3.014 126.034 122.820 0.334 0.000 2.414 177 A HA 0.719 5.039 4.320 0.001 0.000 0.286 177 A C -1.975 175.932 177.584 0.537 0.000 1.073 177 A CA -0.445 51.869 52.037 0.461 0.000 0.727 177 A CB 0.781 20.060 19.000 0.465 0.000 1.215 177 A HN 0.847 nan 8.150 nan 0.000 0.430 178 W N 2.133 123.663 121.300 0.385 0.000 2.261 178 W HA 0.454 5.115 4.660 0.001 0.000 0.323 178 W C 1.082 177.863 176.519 0.437 0.000 1.243 178 W CA 0.463 58.024 57.345 0.360 0.000 1.210 178 W CB 1.203 30.840 29.460 0.295 0.000 1.149 178 W HN 0.735 nan 8.180 nan 0.000 0.562 179 T N -1.173 113.769 114.554 0.647 0.000 2.913 179 T HA 0.080 4.430 4.350 0.001 0.000 0.297 179 T C 0.795 175.836 174.700 0.567 0.000 1.029 179 T CA -0.329 62.099 62.100 0.546 0.000 1.104 179 T CB 0.649 69.739 68.868 0.370 0.000 0.964 179 T HN 0.577 nan 8.240 nan 0.000 0.532 180 H N 0.749 119.984 119.070 0.275 0.000 2.543 180 H HA -0.070 4.487 4.556 0.001 0.000 0.286 180 H C 1.420 176.851 175.328 0.172 0.000 1.037 180 H CA 0.866 57.042 56.048 0.212 0.000 1.250 180 H CB 0.212 30.078 29.762 0.173 0.000 1.373 180 H HN 0.773 nan 8.280 nan 0.000 0.580 181 D N -0.337 120.236 120.400 0.289 0.000 2.363 181 D HA -0.011 4.629 4.640 0.001 0.000 0.220 181 D C 1.768 178.180 176.300 0.187 0.000 0.994 181 D CA 0.751 54.868 54.000 0.196 0.000 0.890 181 D CB -0.304 40.587 40.800 0.153 0.000 0.906 181 D HN 0.363 nan 8.370 nan 0.000 0.530 182 G N 1.089 110.040 108.800 0.251 0.000 2.168 182 G HA2 -0.440 3.520 3.960 0.001 0.000 0.263 182 G HA3 -0.440 3.520 3.960 0.001 0.000 0.263 182 G C 0.947 175.996 174.900 0.248 0.000 0.977 182 G CA 0.687 45.932 45.100 0.242 0.000 0.659 182 G HN 0.548 nan 8.290 nan 0.000 0.533 183 K N 0.058 120.596 120.400 0.230 0.000 2.155 183 K HA 0.349 4.669 4.320 0.001 0.000 0.203 183 K C 1.413 178.028 176.600 0.026 0.000 1.052 183 K CA 1.597 57.962 56.287 0.129 0.000 0.948 183 K CB -0.098 32.490 32.500 0.148 0.000 0.728 183 K HN 0.941 nan 8.250 nan 0.000 0.448 184 G N -0.242 108.596 108.800 0.063 0.000 2.490 184 G HA2 0.379 4.339 3.960 0.001 0.000 0.308 184 G HA3 0.379 4.339 3.960 0.001 0.000 0.308 184 G C -1.941 172.661 174.900 -0.498 0.000 1.286 184 G CA -0.733 44.077 45.100 -0.484 0.000 0.825 184 G HN 0.089 nan 8.290 nan 0.000 0.479 185 M N 0.018 119.125 119.600 -0.823 0.000 2.378 185 M HA 0.655 5.135 4.480 0.001 0.000 0.289 185 M C -1.597 174.624 176.300 -0.132 0.000 1.136 185 M CA -0.695 54.318 55.300 -0.477 0.000 0.917 185 M CB 1.977 34.054 32.600 -0.871 0.000 1.669 185 M HN 0.366 nan 8.290 nan 0.000 0.461 186 F N 4.136 124.258 119.950 0.286 0.000 2.389 186 F HA 0.528 5.055 4.527 0.001 0.000 0.337 186 F C -0.166 175.839 175.800 0.341 0.000 1.112 186 F CA 0.395 58.613 58.000 0.364 0.000 1.192 186 F CB 0.631 39.828 39.000 0.328 0.000 1.185 186 F HN 0.517 nan 8.300 nan 0.000 0.552 187 Y N -0.680 119.838 120.300 0.364 0.000 2.713 187 Y HA 0.542 5.093 4.550 0.001 0.000 0.335 187 Y C -2.006 174.048 175.900 0.257 0.000 1.222 187 Y CA -2.010 56.228 58.100 0.230 0.000 1.061 187 Y CB 0.799 39.336 38.460 0.129 0.000 1.314 187 Y HN 0.538 nan 8.280 nan 0.000 0.453 188 N N 0.640 119.431 118.700 0.151 0.000 2.370 188 N HA 0.862 5.602 4.740 0.001 0.000 0.303 188 N C -1.446 174.174 175.510 0.183 0.000 1.103 188 N CA -0.608 52.471 53.050 0.048 0.000 0.848 188 N CB 2.213 40.740 38.487 0.067 0.000 1.235 188 N HN 0.965 nan 8.380 nan 0.000 0.496 189 A N 1.020 123.932 122.820 0.152 0.000 2.587 189 A HA 0.637 4.957 4.320 0.001 0.000 0.293 189 A C -1.952 175.733 177.584 0.168 0.000 1.087 189 A CA -0.501 51.708 52.037 0.287 0.000 0.692 189 A CB 0.770 19.975 19.000 0.341 0.000 1.291 189 A HN 0.618 nan 8.150 nan 0.000 0.407 190 Y N 1.164 121.667 120.300 0.339 0.000 2.420 190 Y HA 0.536 5.086 4.550 0.001 0.000 0.334 190 Y C -1.784 174.275 175.900 0.265 0.000 1.094 190 Y CA -1.929 56.363 58.100 0.320 0.000 1.126 190 Y CB 1.492 40.183 38.460 0.386 0.000 1.217 190 Y HN 0.501 nan 8.280 nan 0.000 0.462 191 P HA -0.020 nan 4.420 nan 0.000 0.270 191 P C -0.948 176.475 177.300 0.204 0.000 1.223 191 P CA -0.219 63.024 63.100 0.240 0.000 0.785 191 P CB 0.759 32.571 31.700 0.186 0.000 0.923 192 Q N 0.538 120.407 119.800 0.115 0.000 2.386 192 Q HA 0.019 4.359 4.340 0.001 0.000 0.282 192 Q C 0.390 176.435 176.000 0.076 0.000 1.050 192 Q CA 0.642 56.483 55.803 0.064 0.000 0.918 192 Q CB 0.259 29.011 28.738 0.023 0.000 1.266 192 Q HN 0.446 nan 8.270 nan 0.000 0.423 193 Q N 0.772 120.604 119.800 0.052 0.000 2.416 193 Q HA 0.404 4.745 4.340 0.001 0.000 0.281 193 Q C -1.399 174.619 176.000 0.029 0.000 1.067 193 Q CA -1.093 54.747 55.803 0.062 0.000 0.809 193 Q CB 1.483 30.286 28.738 0.108 0.000 1.418 193 Q HN 0.334 nan 8.270 nan 0.000 0.411 194 D N 0.793 121.212 120.400 0.033 0.000 2.382 194 D HA 0.423 5.063 4.640 0.001 0.000 0.240 194 D C 0.840 177.152 176.300 0.020 0.000 1.146 194 D CA 1.981 55.992 54.000 0.019 0.000 0.897 194 D CB 0.844 41.657 40.800 0.022 0.000 1.197 194 D HN 0.927 nan 8.370 nan 0.000 0.432 195 G N 1.232 110.036 108.800 0.007 0.000 2.681 195 G HA2 -0.224 3.737 3.960 0.001 0.000 0.220 195 G HA3 -0.224 3.737 3.960 0.001 0.000 0.220 195 G C -0.449 174.445 174.900 -0.011 0.000 1.353 195 G CA -0.551 44.553 45.100 0.006 0.000 0.872 195 G HN 0.524 nan 8.290 nan 0.000 0.557 196 K N -0.478 119.919 120.400 -0.006 0.000 2.126 196 K HA 0.614 4.934 4.320 0.001 0.000 0.257 196 K C -0.020 176.560 176.600 -0.034 0.000 1.007 196 K CA 0.070 56.339 56.287 -0.030 0.000 0.928 196 K CB 1.107 33.599 32.500 -0.014 0.000 1.013 196 K HN 0.363 nan 8.250 nan 0.000 0.473 197 S N 1.697 117.307 115.700 -0.149 0.000 2.399 197 S HA 0.049 4.519 4.470 0.001 0.000 0.198 197 S C -0.846 173.482 174.600 -0.453 0.000 1.294 197 S CA -0.602 57.381 58.200 -0.362 0.000 1.237 197 S CB 0.001 62.698 63.200 -0.838 0.000 1.286 197 S HN 0.742 nan 8.310 nan 0.000 0.404 198 D N -0.365 120.027 120.400 -0.014 0.000 2.520 198 D HA 0.294 4.935 4.640 0.001 0.000 0.223 198 D C 1.220 177.715 176.300 0.325 0.000 1.186 198 D CA 0.430 54.498 54.000 0.113 0.000 0.821 198 D CB 0.015 40.864 40.800 0.081 0.000 1.072 198 D HN 0.480 nan 8.370 nan 0.000 0.518 199 G N 0.354 109.371 108.800 0.363 0.000 2.195 199 G HA2 -0.315 3.645 3.960 0.001 0.000 0.224 199 G HA3 -0.315 3.645 3.960 0.001 0.000 0.224 199 G C 1.141 176.060 174.900 0.031 0.000 0.990 199 G CA 0.666 45.921 45.100 0.258 0.000 0.639 199 G HN 0.619 nan 8.290 nan 0.000 0.514 200 T N -0.852 113.655 114.554 -0.078 0.000 3.044 200 T HA 0.375 4.726 4.350 0.001 0.000 0.250 200 T C 0.959 175.626 174.700 -0.054 0.000 1.081 200 T CA 0.991 62.986 62.100 -0.175 0.000 1.040 200 T CB 0.283 68.994 68.868 -0.261 0.000 0.962 200 T HN 0.779 nan 8.240 nan 0.000 0.506 201 E N 2.359 122.572 120.200 0.022 0.000 2.345 201 E HA 0.167 4.517 4.350 0.001 0.000 0.259 201 E C 0.400 177.029 176.600 0.048 0.000 1.117 201 E CA 0.008 56.435 56.400 0.044 0.000 0.913 201 E CB 1.141 30.895 29.700 0.090 0.000 1.057 201 E HN 0.289 nan 8.360 nan 0.000 0.432 202 T N -2.331 112.254 114.554 0.051 0.000 3.044 202 T HA 0.151 4.502 4.350 0.001 0.000 0.260 202 T C 0.152 174.954 174.700 0.171 0.000 1.019 202 T CA -0.417 61.727 62.100 0.074 0.000 0.921 202 T CB -0.155 68.698 68.868 -0.025 0.000 1.053 202 T HN 0.281 nan 8.240 nan 0.000 0.533 203 S N 2.931 118.712 115.700 0.135 0.000 2.593 203 S HA 0.158 4.628 4.470 0.001 0.000 0.300 203 S C 0.550 175.213 174.600 0.106 0.000 1.267 203 S CA -0.051 58.224 58.200 0.126 0.000 1.065 203 S CB 0.539 63.811 63.200 0.121 0.000 0.807 203 S HN 0.573 nan 8.310 nan 0.000 0.499 204 T N 3.173 117.781 114.554 0.089 0.000 2.916 204 T HA 0.079 4.430 4.350 0.001 0.000 0.303 204 T C -0.015 174.736 174.700 0.086 0.000 1.025 204 T CA -0.328 61.821 62.100 0.082 0.000 1.142 204 T CB -0.302 68.606 68.868 0.067 0.000 0.947 204 T HN 0.621 nan 8.240 nan 0.000 0.544 205 N N 4.573 123.320 118.700 0.078 0.000 2.439 205 N HA 0.547 5.287 4.740 0.001 0.000 0.249 205 N C -0.875 174.817 175.510 0.304 0.000 1.003 205 N CA -0.450 52.594 53.050 -0.010 0.000 0.942 205 N CB 0.956 39.219 38.487 -0.373 0.000 1.115 205 N HN 0.438 nan 8.380 nan 0.000 0.505 206 L N 1.077 122.514 121.223 0.355 0.000 2.327 206 L HA 0.484 4.825 4.340 0.001 0.000 0.258 206 L C 0.005 177.130 176.870 0.425 0.000 1.024 206 L CA -0.987 54.024 54.840 0.284 0.000 0.825 206 L CB 1.517 43.617 42.059 0.068 0.000 1.386 206 L HN 0.666 nan 8.230 nan 0.000 0.417 207 H N -0.174 119.032 119.070 0.226 0.000 2.839 207 H HA -0.166 4.391 4.556 0.001 0.000 0.298 207 H C 0.196 175.549 175.328 0.041 0.000 1.224 207 H CA 0.509 56.639 56.048 0.137 0.000 1.144 207 H CB -0.787 29.045 29.762 0.116 0.000 1.372 207 H HN 0.616 nan 8.280 nan 0.000 0.408 208 Q N 1.150 120.927 119.800 -0.039 0.000 2.330 208 Q HA 0.196 4.536 4.340 0.001 0.000 0.279 208 Q C -0.109 175.780 176.000 -0.185 0.000 1.024 208 Q CA 0.553 56.069 55.803 -0.478 0.000 0.900 208 Q CB 0.697 29.102 28.738 -0.554 0.000 1.221 208 Q HN 0.360 nan 8.270 nan 0.000 0.396 209 K N 2.453 122.723 120.400 -0.217 0.000 2.350 209 K HA 0.494 4.814 4.320 0.001 0.000 0.241 209 K C -1.345 175.030 176.600 -0.374 0.000 0.994 209 K CA -0.949 55.139 56.287 -0.331 0.000 0.839 209 K CB 1.319 33.554 32.500 -0.441 0.000 1.244 209 K HN 0.410 nan 8.250 nan 0.000 0.443 210 L N 2.010 122.965 121.223 -0.446 0.000 2.287 210 L HA 0.437 4.777 4.340 0.001 0.000 0.287 210 L C -1.677 174.963 176.870 -0.383 0.000 1.022 210 L CA -0.030 54.650 54.840 -0.267 0.000 0.814 210 L CB 0.304 42.310 42.059 -0.089 0.000 1.217 210 L HN 0.471 nan 8.230 nan 0.000 0.420 211 Y N 3.855 124.051 120.300 -0.174 0.000 2.598 211 Y HA 0.506 5.056 4.550 0.001 0.000 0.340 211 Y C -1.193 174.779 175.900 0.121 0.000 1.038 211 Y CA -0.378 57.642 58.100 -0.132 0.000 1.100 211 Y CB 1.735 39.915 38.460 -0.467 0.000 1.281 211 Y HN 0.510 nan 8.280 nan 0.000 0.488 212 Y N 1.253 121.705 120.300 0.254 0.000 2.338 212 Y HA 0.400 4.951 4.550 0.001 0.000 0.333 212 Y C -1.283 174.724 175.900 0.179 0.000 0.968 212 Y CA -1.157 56.988 58.100 0.075 0.000 1.123 212 Y CB 0.676 39.039 38.460 -0.161 0.000 1.165 212 Y HN 0.708 nan 8.280 nan 0.000 0.452 213 H N 4.900 123.740 119.070 -0.383 0.000 2.519 213 H HA 0.584 5.141 4.556 0.001 0.000 0.316 213 H C -1.415 173.478 175.328 -0.725 0.000 1.065 213 H CA -0.574 55.244 56.048 -0.383 0.000 1.264 213 H CB 0.992 30.590 29.762 -0.274 0.000 1.413 213 H HN 0.514 nan 8.280 nan 0.000 0.465 214 V N 7.080 126.412 119.914 -0.970 0.000 2.455 214 V HA 0.024 4.145 4.120 0.001 0.000 0.273 214 V C 0.275 175.773 176.094 -0.993 0.000 1.045 214 V CA -0.683 61.155 62.300 -0.770 0.000 0.976 214 V CB 0.603 32.197 31.823 -0.381 0.000 0.993 214 V HN 0.675 nan 8.190 nan 0.000 0.475 215 L N 5.414 126.215 121.223 -0.703 0.000 2.499 215 L HA 0.512 4.853 4.340 0.001 0.000 0.273 215 L C 1.149 177.786 176.870 -0.389 0.000 1.195 215 L CA 1.887 56.382 54.840 -0.575 0.000 0.882 215 L CB 0.354 42.211 42.059 -0.338 0.000 1.133 215 L HN 0.969 nan 8.230 nan 0.000 0.483 216 G N 1.653 110.265 108.800 -0.315 0.000 2.159 216 G HA2 -0.219 3.741 3.960 0.001 0.000 0.227 216 G HA3 -0.219 3.741 3.960 0.001 0.000 0.227 216 G C 0.204 175.010 174.900 -0.157 0.000 0.986 216 G CA 0.254 45.246 45.100 -0.180 0.000 0.651 216 G HN 1.056 nan 8.290 nan 0.000 0.523 217 T N -2.082 112.347 114.554 -0.208 0.000 2.926 217 T HA 0.673 5.023 4.350 0.001 0.000 0.289 217 T C -0.802 173.903 174.700 0.008 0.000 1.054 217 T CA -0.514 61.514 62.100 -0.120 0.000 1.015 217 T CB 2.628 71.391 68.868 -0.175 0.000 1.167 217 T HN -0.042 nan 8.240 nan 0.000 0.526 218 D N 0.761 121.165 120.400 0.007 0.000 2.313 218 D HA 0.155 4.795 4.640 0.001 0.000 0.247 218 D C 1.143 177.471 176.300 0.047 0.000 1.094 218 D CA -0.333 53.676 54.000 0.015 0.000 0.925 218 D CB 1.510 42.301 40.800 -0.014 0.000 1.188 218 D HN 0.794 nan 8.370 nan 0.000 0.430 219 Q N 0.946 120.735 119.800 -0.018 0.000 2.234 219 Q HA -0.180 4.160 4.340 0.001 0.000 0.206 219 Q C 1.533 177.521 176.000 -0.020 0.000 0.980 219 Q CA 1.493 57.271 55.803 -0.043 0.000 0.869 219 Q CB 0.110 28.761 28.738 -0.145 0.000 0.912 219 Q HN 0.518 nan 8.270 nan 0.000 0.436 220 S N -0.385 115.301 115.700 -0.024 0.000 2.442 220 S HA -0.156 4.314 4.470 0.001 0.000 0.236 220 S C 1.236 175.839 174.600 0.004 0.000 1.007 220 S CA 1.258 59.446 58.200 -0.020 0.000 0.965 220 S CB -0.117 63.072 63.200 -0.018 0.000 0.773 220 S HN 0.473 nan 8.310 nan 0.000 0.504 221 E N 1.018 121.229 120.200 0.019 0.000 2.442 221 E HA 0.079 4.430 4.350 0.001 0.000 0.195 221 E C -0.503 176.134 176.600 0.061 0.000 1.030 221 E CA -0.114 56.303 56.400 0.028 0.000 0.869 221 E CB -0.012 29.690 29.700 0.002 0.000 0.857 221 E HN 0.534 nan 8.360 nan 0.000 0.505 222 D N 1.046 121.501 120.400 0.091 0.000 2.478 222 D HA -0.039 4.601 4.640 0.001 0.000 0.234 222 D C 0.070 176.506 176.300 0.227 0.000 1.154 222 D CA 0.548 54.648 54.000 0.167 0.000 0.874 222 D CB 0.666 41.587 40.800 0.201 0.000 1.198 222 D HN -0.053 nan 8.370 nan 0.000 0.455 223 I N 2.054 122.797 120.570 0.289 0.000 2.365 223 I HA 0.105 4.276 4.170 0.001 0.000 0.291 223 I C 0.305 176.624 176.117 0.337 0.000 1.004 223 I CA -0.855 60.610 61.300 0.275 0.000 1.311 223 I CB 0.682 38.822 38.000 0.233 0.000 1.401 223 I HN 0.214 nan 8.210 nan 0.000 0.491 224 L N 7.033 128.396 121.223 0.233 0.000 2.325 224 L HA 0.237 4.577 4.340 0.001 0.000 0.284 224 L C 0.475 177.366 176.870 0.035 0.000 1.089 224 L CA 0.453 55.302 54.840 0.014 0.000 0.836 224 L CB 0.722 42.773 42.059 -0.013 0.000 1.184 224 L HN 0.735 nan 8.230 nan 0.000 0.444 225 C N 3.842 123.176 119.300 0.056 0.000 2.674 225 C HA 0.733 5.193 4.460 0.001 0.000 0.276 225 C C 0.902 176.081 174.990 0.315 0.000 1.300 225 C CA 0.108 59.253 59.018 0.211 0.000 1.732 225 C CB -0.981 26.995 27.740 0.392 0.000 2.076 225 C HN 0.911 nan 8.230 nan 0.000 0.548 226 A N 1.077 123.935 122.820 0.063 0.000 2.555 226 A HA 0.657 4.978 4.320 0.001 0.000 0.297 226 A C -1.098 176.166 177.584 -0.534 0.000 1.060 226 A CA -0.400 51.584 52.037 -0.088 0.000 0.710 226 A CB 0.955 19.893 19.000 -0.103 0.000 1.282 226 A HN 0.494 nan 8.150 nan 0.000 0.399 227 E N 0.293 120.051 120.200 -0.736 0.000 2.412 227 E HA 0.753 5.104 4.350 0.001 0.000 0.279 227 E C -1.836 174.185 176.600 -0.966 0.000 0.984 227 E CA -0.878 55.004 56.400 -0.863 0.000 0.788 227 E CB 1.472 30.954 29.700 -0.364 0.000 1.277 227 E HN 0.437 nan 8.360 nan 0.000 0.455 228 F N 0.513 120.482 119.950 0.032 0.000 2.646 228 F HA 0.364 4.891 4.527 0.001 0.000 0.336 228 F C -2.248 173.520 175.800 -0.054 0.000 1.437 228 F CA -2.253 55.725 58.000 -0.035 0.000 1.142 228 F CB 1.249 40.227 39.000 -0.036 0.000 1.530 228 F HN 0.341 nan 8.300 nan 0.000 0.591 229 P HA -0.157 nan 4.420 nan 0.000 0.216 229 P C 0.918 178.289 177.300 0.120 0.000 1.150 229 P CA 1.549 64.744 63.100 0.158 0.000 0.843 229 P CB 0.351 32.083 31.700 0.053 0.000 0.787 230 D N -1.131 119.258 120.400 -0.018 0.000 2.355 230 D HA -0.007 4.633 4.640 0.001 0.000 0.218 230 D C 0.304 176.468 176.300 -0.227 0.000 1.004 230 D CA 0.826 54.771 54.000 -0.091 0.000 0.880 230 D CB 0.047 40.784 40.800 -0.105 0.000 0.911 230 D HN 0.226 nan 8.370 nan 0.000 0.528 231 E N 0.299 120.290 120.200 -0.349 0.000 3.132 231 E HA 0.165 4.515 4.350 0.001 0.000 0.241 231 E C -1.997 174.370 176.600 -0.388 0.000 1.196 231 E CA -1.568 54.472 56.400 -0.599 0.000 0.869 231 E CB 1.825 30.544 29.700 -1.636 0.000 1.387 231 E HN -0.023 nan 8.360 nan 0.000 0.393 232 P HA -0.148 nan 4.420 nan 0.000 0.220 232 P C 0.913 178.036 177.300 -0.294 0.000 1.144 232 P CA 1.255 64.006 63.100 -0.582 0.000 0.800 232 P CB 0.355 31.695 31.700 -0.600 0.000 0.772 233 K N -3.094 117.213 120.400 -0.155 0.000 2.379 233 K HA 0.002 4.322 4.320 0.001 0.000 0.194 233 K C 0.201 176.937 176.600 0.226 0.000 1.031 233 K CA -0.092 56.167 56.287 -0.046 0.000 1.037 233 K CB 0.001 32.433 32.500 -0.114 0.000 0.824 233 K HN 0.137 nan 8.250 nan 0.000 0.516 234 W N 1.817 123.081 121.300 -0.060 0.000 2.181 234 W HA 0.158 4.819 4.660 0.001 0.000 0.335 234 W C 0.171 176.694 176.519 0.007 0.000 1.310 234 W CA -0.119 57.165 57.345 -0.102 0.000 1.226 234 W CB 0.018 29.300 29.460 -0.297 0.000 1.155 234 W HN -0.082 nan 8.180 nan 0.000 0.565 235 M N 3.248 122.913 119.600 0.109 0.000 2.151 235 M HA 0.397 4.878 4.480 0.001 0.000 0.290 235 M C 0.301 176.613 176.300 0.019 0.000 0.965 235 M CA -0.436 54.936 55.300 0.119 0.000 0.930 235 M CB 1.971 34.621 32.600 0.084 0.000 1.560 235 M HN 0.501 nan 8.290 nan 0.000 0.438 236 G N 1.698 110.581 108.800 0.137 0.000 2.468 236 G HA2 0.650 4.610 3.960 0.001 0.000 0.315 236 G HA3 0.650 4.610 3.960 0.001 0.000 0.315 236 G C -0.323 174.563 174.900 -0.022 0.000 1.203 236 G CA -0.532 44.563 45.100 -0.009 0.000 0.962 236 G HN 0.827 nan 8.290 nan 0.000 0.476 237 G N 0.465 109.237 108.800 -0.047 0.000 2.348 237 G HA2 0.705 4.666 3.960 0.001 0.000 0.312 237 G HA3 0.705 4.666 3.960 0.001 0.000 0.312 237 G C -0.081 174.808 174.900 -0.018 0.000 1.126 237 G CA 0.021 45.123 45.100 0.004 0.000 0.865 237 G HN 0.981 nan 8.290 nan 0.000 0.474 238 A N 1.871 124.694 122.820 0.005 0.000 2.320 238 A HA 0.904 5.224 4.320 0.001 0.000 0.334 238 A C -0.063 177.565 177.584 0.074 0.000 1.147 238 A CA -0.682 51.331 52.037 -0.040 0.000 0.820 238 A CB 1.179 19.998 19.000 -0.302 0.000 1.218 238 A HN 0.923 nan 8.150 nan 0.000 0.482 239 E N 1.243 121.497 120.200 0.090 0.000 2.372 239 E HA 0.521 4.872 4.350 0.001 0.000 0.279 239 E C -1.855 174.850 176.600 0.175 0.000 0.946 239 E CA -0.902 55.606 56.400 0.180 0.000 0.769 239 E CB 1.032 30.842 29.700 0.184 0.000 1.230 239 E HN 0.354 nan 8.360 nan 0.000 0.442 240 L N 2.505 123.880 121.223 0.253 0.000 2.325 240 L HA 0.336 4.676 4.340 0.001 0.000 0.279 240 L C 0.676 177.619 176.870 0.122 0.000 1.054 240 L CA -0.378 54.587 54.840 0.207 0.000 0.804 240 L CB 1.402 43.627 42.059 0.277 0.000 1.200 240 L HN 0.896 nan 8.230 nan 0.000 0.436 241 S N 0.953 116.667 115.700 0.023 0.000 2.576 241 S HA 0.020 4.490 4.470 0.001 0.000 0.272 241 S C 0.762 175.464 174.600 0.169 0.000 1.352 241 S CA -0.554 57.617 58.200 -0.047 0.000 1.021 241 S CB 0.735 63.992 63.200 0.096 0.000 0.887 241 S HN 0.552 nan 8.310 nan 0.000 0.542 242 D N 1.290 121.885 120.400 0.325 0.000 2.190 242 D HA -0.111 4.530 4.640 0.001 0.000 0.200 242 D C 1.268 177.734 176.300 0.276 0.000 0.992 242 D CA 1.733 55.921 54.000 0.314 0.000 0.854 242 D CB -0.423 40.512 40.800 0.224 0.000 0.936 242 D HN 0.887 nan 8.370 nan 0.000 0.462 243 D N -1.471 119.020 120.400 0.152 0.000 2.339 243 D HA 0.128 4.769 4.640 0.001 0.000 0.217 243 D C 1.571 177.878 176.300 0.012 0.000 1.050 243 D CA 0.744 54.813 54.000 0.114 0.000 0.856 243 D CB -0.210 40.634 40.800 0.074 0.000 0.922 243 D HN 0.170 nan 8.370 nan 0.000 0.518 244 G N 1.019 109.648 108.800 -0.285 0.000 2.184 244 G HA2 -0.448 3.513 3.960 0.001 0.000 0.264 244 G HA3 -0.448 3.513 3.960 0.001 0.000 0.264 244 G C 1.149 175.915 174.900 -0.223 0.000 0.975 244 G CA 0.476 45.141 45.100 -0.725 0.000 0.642 244 G HN 0.513 nan 8.290 nan 0.000 0.536 245 R N -0.941 119.506 120.500 -0.088 0.000 2.119 245 R HA 0.220 4.560 4.340 0.001 0.000 0.222 245 R C 0.234 176.397 176.300 -0.228 0.000 1.088 245 R CA 0.825 56.819 56.100 -0.176 0.000 0.984 245 R CB 0.027 30.161 30.300 -0.276 0.000 0.884 245 R HN 0.434 nan 8.270 nan 0.000 0.447 246 Y N -0.747 119.609 120.300 0.093 0.000 2.468 246 Y HA 0.389 4.939 4.550 0.001 0.000 0.342 246 Y C -0.425 175.553 175.900 0.129 0.000 1.021 246 Y CA -1.142 57.054 58.100 0.160 0.000 1.079 246 Y CB 2.075 40.698 38.460 0.272 0.000 1.226 246 Y HN -0.348 nan 8.280 nan 0.000 0.460 247 V N 4.720 124.824 119.914 0.316 0.000 2.394 247 V HA 0.349 4.469 4.120 0.001 0.000 0.282 247 V C -0.295 176.000 176.094 0.336 0.000 1.031 247 V CA -0.778 61.658 62.300 0.227 0.000 0.881 247 V CB 1.061 32.937 31.823 0.088 0.000 0.982 247 V HN 0.551 nan 8.190 nan 0.000 0.451 248 L N 5.752 127.113 121.223 0.230 0.000 2.296 248 L HA 0.546 4.887 4.340 0.001 0.000 0.286 248 L C -0.672 176.283 176.870 0.141 0.000 1.023 248 L CA -0.629 54.350 54.840 0.232 0.000 0.812 248 L CB 1.663 43.810 42.059 0.147 0.000 1.223 248 L HN 0.452 nan 8.230 nan 0.000 0.421 249 L N 2.857 124.128 121.223 0.081 0.000 2.287 249 L HA 0.407 4.748 4.340 0.001 0.000 0.287 249 L C -0.180 176.548 176.870 -0.237 0.000 1.022 249 L CA 0.361 55.089 54.840 -0.187 0.000 0.814 249 L CB 1.618 43.307 42.059 -0.618 0.000 1.217 249 L HN 0.477 nan 8.230 nan 0.000 0.420 250 S N 6.380 121.970 115.700 -0.182 0.000 2.448 250 S HA 0.577 5.047 4.470 0.001 0.000 0.320 250 S C -0.180 174.253 174.600 -0.278 0.000 1.071 250 S CA -0.377 57.718 58.200 -0.175 0.000 1.113 250 S CB 0.258 63.439 63.200 -0.031 0.000 0.972 250 S HN 0.460 nan 8.310 nan 0.000 0.465 251 I N 3.978 124.275 120.570 -0.455 0.000 2.331 251 I HA 0.452 4.623 4.170 0.001 0.000 0.292 251 I C 0.437 176.381 176.117 -0.287 0.000 0.998 251 I CA -0.448 60.528 61.300 -0.541 0.000 1.267 251 I CB 1.008 38.373 38.000 -1.058 0.000 1.386 251 I HN 0.328 nan 8.210 nan 0.000 0.476 252 R N 4.403 124.744 120.500 -0.266 0.000 2.803 252 R HA 0.575 4.915 4.340 0.001 0.000 0.276 252 R C -0.920 175.117 176.300 -0.438 0.000 0.978 252 R CA -0.885 55.052 56.100 -0.273 0.000 0.939 252 R CB 2.582 32.783 30.300 -0.164 0.000 1.179 252 R HN 0.550 nan 8.270 nan 0.000 0.472 253 E N 1.176 120.964 120.200 -0.687 0.000 2.343 253 E HA 0.398 4.748 4.350 0.001 0.000 0.260 253 E C -0.729 175.653 176.600 -0.363 0.000 0.908 253 E CA -0.207 55.884 56.400 -0.515 0.000 0.814 253 E CB 1.283 30.541 29.700 -0.736 0.000 1.302 253 E HN 0.840 nan 8.360 nan 0.000 0.408 254 G N 1.819 110.540 108.800 -0.132 0.000 2.610 254 G HA2 -0.246 3.714 3.960 0.001 0.000 0.304 254 G HA3 -0.246 3.714 3.960 0.001 0.000 0.304 254 G C 0.383 175.272 174.900 -0.018 0.000 1.309 254 G CA -0.101 44.974 45.100 -0.041 0.000 0.906 254 G HN 0.585 nan 8.290 nan 0.000 0.521 255 T N -2.047 112.555 114.554 0.081 0.000 3.054 255 T HA 0.373 4.724 4.350 0.001 0.000 0.255 255 T C 0.308 175.072 174.700 0.107 0.000 1.035 255 T CA 0.728 62.908 62.100 0.134 0.000 0.941 255 T CB 0.323 69.407 68.868 0.360 0.000 1.026 255 T HN 0.528 nan 8.240 nan 0.000 0.533 256 D N 3.941 124.379 120.400 0.064 0.000 2.382 256 D HA 0.173 4.814 4.640 0.001 0.000 0.240 256 D C -2.113 174.214 176.300 0.045 0.000 1.146 256 D CA -1.611 52.443 54.000 0.089 0.000 0.897 256 D CB 1.035 41.869 40.800 0.056 0.000 1.197 256 D HN 0.152 nan 8.370 nan 0.000 0.432 257 P HA 0.059 nan 4.420 nan 0.000 0.237 257 P C -0.736 176.594 177.300 0.050 0.000 1.788 257 P CA -0.166 62.976 63.100 0.070 0.000 1.061 257 P CB -0.131 31.653 31.700 0.139 0.000 1.967 258 V N 0.172 120.105 119.914 0.032 0.000 3.087 258 V HA 0.783 4.904 4.120 0.001 0.000 0.306 258 V C -1.304 174.841 176.094 0.085 0.000 1.187 258 V CA -1.019 61.310 62.300 0.050 0.000 0.999 258 V CB 2.860 34.725 31.823 0.071 0.000 1.049 258 V HN 0.513 nan 8.190 nan 0.000 0.431 259 N N 1.023 119.811 118.700 0.146 0.000 2.636 259 N HA 0.390 5.130 4.740 0.001 0.000 0.261 259 N C -1.318 174.202 175.510 0.017 0.000 1.195 259 N CA -0.877 52.243 53.050 0.117 0.000 0.902 259 N CB 2.239 40.743 38.487 0.028 0.000 1.627 259 N HN 0.832 nan 8.380 nan 0.000 0.491 260 R N 0.134 120.484 120.500 -0.250 0.000 2.615 260 R HA 0.436 4.776 4.340 0.001 0.000 0.270 260 R C -0.597 175.499 176.300 -0.340 0.000 1.081 260 R CA -0.660 55.179 56.100 -0.435 0.000 1.154 260 R CB 0.686 30.493 30.300 -0.822 0.000 1.063 260 R HN 0.466 nan 8.270 nan 0.000 0.519 261 L N 3.201 124.283 121.223 -0.234 0.000 2.446 261 L HA 0.398 4.739 4.340 0.001 0.000 0.268 261 L C -1.827 175.099 176.870 0.093 0.000 0.975 261 L CA -0.346 54.410 54.840 -0.139 0.000 0.848 261 L CB 1.231 43.169 42.059 -0.201 0.000 1.225 261 L HN 0.650 nan 8.230 nan 0.000 0.410 262 W N 4.914 126.118 121.300 -0.161 0.000 2.719 262 W HA 0.607 5.267 4.660 0.001 0.000 0.352 262 W C -0.303 176.283 176.519 0.111 0.000 1.085 262 W CA -0.961 56.316 57.345 -0.113 0.000 1.187 262 W CB 1.125 30.466 29.460 -0.199 0.000 1.417 262 W HN 0.480 nan 8.180 nan 0.000 0.557 263 Y N -0.739 119.743 120.300 0.303 0.000 2.581 263 Y HA 0.709 5.259 4.550 0.001 0.000 0.345 263 Y C -1.028 175.074 175.900 0.336 0.000 1.036 263 Y CA -2.030 56.244 58.100 0.290 0.000 1.042 263 Y CB 1.564 40.004 38.460 -0.033 0.000 1.289 263 Y HN 0.484 nan 8.280 nan 0.000 0.471 264 C N 3.374 122.961 119.300 0.479 0.000 2.432 264 C HA 0.411 4.871 4.460 0.001 0.000 0.334 264 C C -1.054 174.097 174.990 0.267 0.000 1.155 264 C CA -0.601 58.488 59.018 0.119 0.000 1.335 264 C CB -0.149 27.348 27.740 -0.405 0.000 1.964 264 C HN 0.916 nan 8.230 nan 0.000 0.444 265 D N 4.682 125.236 120.400 0.256 0.000 2.352 265 D HA 0.149 4.789 4.640 0.001 0.000 0.245 265 D C 1.179 177.428 176.300 -0.086 0.000 1.224 265 D CA -0.039 53.952 54.000 -0.015 0.000 0.879 265 D CB 0.640 41.453 40.800 0.023 0.000 1.057 265 D HN 0.707 nan 8.370 nan 0.000 0.491 266 L N 2.754 123.909 121.223 -0.113 0.000 2.127 266 L HA -0.220 4.120 4.340 0.001 0.000 0.211 266 L C 2.130 178.949 176.870 -0.084 0.000 1.089 266 L CA 0.892 55.680 54.840 -0.086 0.000 0.757 266 L CB -0.245 41.784 42.059 -0.050 0.000 0.899 266 L HN 0.431 nan 8.230 nan 0.000 0.434 267 Q N -0.422 119.319 119.800 -0.099 0.000 2.291 267 Q HA -0.147 4.193 4.340 0.001 0.000 0.205 267 Q C 1.973 177.942 176.000 -0.053 0.000 0.970 267 Q CA 0.960 56.722 55.803 -0.068 0.000 0.876 267 Q CB -0.216 28.479 28.738 -0.071 0.000 0.935 267 Q HN 0.528 nan 8.270 nan 0.000 0.455 268 Q N 0.456 120.223 119.800 -0.056 0.000 2.444 268 Q HA 0.023 4.364 4.340 0.001 0.000 0.206 268 Q C -0.091 175.875 176.000 -0.058 0.000 0.948 268 Q CA 0.237 56.015 55.803 -0.041 0.000 0.946 268 Q CB 0.407 29.133 28.738 -0.020 0.000 1.027 268 Q HN 0.349 nan 8.270 nan 0.000 0.513 269 E N 0.413 120.569 120.200 -0.073 0.000 2.360 269 E HA 0.053 4.403 4.350 0.001 0.000 0.269 269 E C 0.833 177.397 176.600 -0.058 0.000 1.022 269 E CA 0.020 56.371 56.400 -0.083 0.000 0.887 269 E CB 1.163 30.803 29.700 -0.099 0.000 0.990 269 E HN 0.000 nan 8.360 nan 0.000 0.426 270 S N 2.588 118.255 115.700 -0.055 0.000 2.400 270 S HA -0.199 4.272 4.470 0.001 0.000 0.232 270 S C 1.056 175.636 174.600 -0.032 0.000 1.025 270 S CA 1.405 59.582 58.200 -0.039 0.000 0.993 270 S CB -0.019 63.160 63.200 -0.036 0.000 0.808 270 S HN 0.490 nan 8.310 nan 0.000 0.478 271 N N -0.331 118.348 118.700 -0.036 0.000 2.635 271 N HA 0.334 5.075 4.740 0.001 0.000 0.252 271 N C -0.098 175.392 175.510 -0.033 0.000 1.589 271 N CA 0.724 53.758 53.050 -0.027 0.000 0.828 271 N CB 0.067 38.542 38.487 -0.020 0.000 1.403 271 N HN 0.319 nan 8.380 nan 0.000 0.518 272 G N 0.775 109.548 108.800 -0.044 0.000 2.698 272 G HA2 -0.253 3.708 3.960 0.001 0.000 0.233 272 G HA3 -0.253 3.708 3.960 0.001 0.000 0.233 272 G C -0.343 174.504 174.900 -0.087 0.000 1.352 272 G CA -0.269 44.797 45.100 -0.058 0.000 0.879 272 G HN 0.331 nan 8.290 nan 0.000 0.567 273 I N 1.927 122.417 120.570 -0.133 0.000 2.347 273 I HA 0.311 4.481 4.170 0.001 0.000 0.294 273 I C 1.629 177.702 176.117 -0.073 0.000 1.090 273 I CA 0.758 61.954 61.300 -0.173 0.000 1.314 273 I CB 0.770 38.501 38.000 -0.448 0.000 1.423 273 I HN 0.776 nan 8.210 nan 0.000 0.503 274 T N 0.608 115.136 114.554 -0.043 0.000 3.043 274 T HA 0.540 4.890 4.350 0.001 0.000 0.272 274 T C 0.539 175.248 174.700 0.015 0.000 0.990 274 T CA 0.101 62.199 62.100 -0.003 0.000 0.897 274 T CB 0.787 69.649 68.868 -0.010 0.000 1.111 274 T HN 0.709 nan 8.240 nan 0.000 0.529 275 G N 1.460 110.265 108.800 0.008 0.000 2.441 275 G HA2 0.378 4.338 3.960 0.001 0.000 0.225 275 G HA3 0.378 4.338 3.960 0.001 0.000 0.225 275 G C -1.682 173.231 174.900 0.021 0.000 1.200 275 G CA -0.883 44.234 45.100 0.028 0.000 0.947 275 G HN 0.198 nan 8.290 nan 0.000 0.484 276 I N 2.651 123.238 120.570 0.027 0.000 2.664 276 I HA 0.160 4.330 4.170 0.001 0.000 0.284 276 I C 0.971 177.049 176.117 -0.065 0.000 1.154 276 I CA 0.286 61.620 61.300 0.055 0.000 1.402 276 I CB -0.424 37.627 38.000 0.084 0.000 1.395 276 I HN 0.251 nan 8.210 nan 0.000 0.545 277 L N 7.023 128.107 121.223 -0.230 0.000 2.472 277 L HA 0.148 4.488 4.340 0.001 0.000 0.260 277 L C 1.101 177.600 176.870 -0.618 0.000 1.209 277 L CA -0.488 54.011 54.840 -0.568 0.000 0.817 277 L CB 0.098 41.537 42.059 -1.033 0.000 1.106 277 L HN 0.466 nan 8.230 nan 0.000 0.479 278 K N 2.022 122.141 120.400 -0.468 0.000 2.449 278 K HA 0.063 4.384 4.320 0.001 0.000 0.237 278 K C -0.977 175.431 176.600 -0.320 0.000 1.265 278 K CA -0.067 56.041 56.287 -0.299 0.000 1.193 278 K CB -0.266 32.114 32.500 -0.200 0.000 1.515 278 K HN 0.301 nan 8.250 nan 0.000 0.259 279 W N 1.152 122.380 121.300 -0.120 0.000 2.223 279 W HA 0.027 4.687 4.660 0.001 0.000 0.334 279 W C 0.296 176.569 176.519 -0.411 0.000 1.334 279 W CA -0.743 56.488 57.345 -0.191 0.000 1.246 279 W CB 0.421 29.825 29.460 -0.094 0.000 1.184 279 W HN -0.005 nan 8.180 nan 0.000 0.563 280 V N 4.652 124.367 119.914 -0.332 0.000 2.347 280 V HA 0.152 4.272 4.120 0.001 0.000 0.280 280 V C 0.192 175.922 176.094 -0.608 0.000 1.021 280 V CA -1.432 60.492 62.300 -0.627 0.000 0.847 280 V CB 1.081 32.204 31.823 -1.167 0.000 0.990 280 V HN 0.411 nan 8.190 nan 0.000 0.444 281 K N 4.729 124.774 120.400 -0.592 0.000 2.278 281 K HA 0.127 4.448 4.320 0.001 0.000 0.237 281 K C 1.019 177.461 176.600 -0.264 0.000 1.229 281 K CA -0.238 55.683 56.287 -0.609 0.000 1.155 281 K CB 0.311 32.326 32.500 -0.809 0.000 1.590 281 K HN 0.524 nan 8.250 nan 0.000 0.290 282 L N 1.592 122.706 121.223 -0.182 0.000 1.990 282 L HA -0.129 4.212 4.340 0.001 0.000 0.213 282 L C 0.523 177.327 176.870 -0.110 0.000 1.072 282 L CA 1.829 56.593 54.840 -0.127 0.000 0.755 282 L CB 0.194 42.167 42.059 -0.144 0.000 0.889 282 L HN 0.389 nan 8.230 nan 0.000 0.432 283 I N 0.502 120.996 120.570 -0.127 0.000 2.420 283 I HA 0.203 4.374 4.170 0.001 0.000 0.282 283 I C -0.637 175.435 176.117 -0.075 0.000 1.019 283 I CA -0.244 60.945 61.300 -0.186 0.000 1.130 283 I CB 0.751 38.464 38.000 -0.478 0.000 1.262 283 I HN 0.094 nan 8.210 nan 0.000 0.454 284 D N 5.425 125.791 120.400 -0.057 0.000 3.035 284 D HA 0.216 4.856 4.640 0.001 0.000 0.290 284 D C -0.266 175.941 176.300 -0.156 0.000 1.360 284 D CA -0.057 53.932 54.000 -0.018 0.000 0.862 284 D CB 0.240 41.042 40.800 0.004 0.000 1.078 284 D HN 0.688 nan 8.370 nan 0.000 0.487 285 N N -2.184 116.350 118.700 -0.276 0.000 2.934 285 N HA 0.287 5.028 4.740 0.001 0.000 0.253 285 N C -1.152 174.114 175.510 -0.406 0.000 1.466 285 N CA -0.781 52.075 53.050 -0.323 0.000 0.858 285 N CB 0.261 38.691 38.487 -0.095 0.000 1.459 285 N HN -0.218 nan 8.380 nan 0.000 0.532 286 F N -0.234 119.676 119.950 -0.067 0.000 2.925 286 F HA 0.415 4.943 4.527 0.001 0.000 0.302 286 F C 0.932 176.716 175.800 -0.027 0.000 1.189 286 F CA -0.469 57.480 58.000 -0.084 0.000 1.346 286 F CB 0.094 39.020 39.000 -0.124 0.000 0.954 286 F HN 0.597 nan 8.300 nan 0.000 0.506 287 E N 0.085 120.365 120.200 0.133 0.000 2.371 287 E HA 0.245 4.596 4.350 0.001 0.000 0.194 287 E C 1.290 177.912 176.600 0.037 0.000 1.012 287 E CA 0.260 56.708 56.400 0.080 0.000 0.860 287 E CB 0.387 30.123 29.700 0.060 0.000 0.811 287 E HN 0.422 nan 8.360 nan 0.000 0.502 288 G N 0.521 109.374 108.800 0.088 0.000 2.623 288 G HA2 0.257 4.218 3.960 0.001 0.000 0.290 288 G HA3 0.257 4.218 3.960 0.001 0.000 0.290 288 G C -1.803 173.008 174.900 -0.147 0.000 1.437 288 G CA -0.756 44.297 45.100 -0.077 0.000 0.798 288 G HN -0.014 nan 8.290 nan 0.000 0.488 289 E N -0.716 119.279 120.200 -0.342 0.000 2.231 289 E HA 0.592 4.943 4.350 0.001 0.000 0.277 289 E C -1.462 174.760 176.600 -0.630 0.000 0.999 289 E CA -0.685 55.566 56.400 -0.249 0.000 0.827 289 E CB 1.106 30.788 29.700 -0.030 0.000 1.101 289 E HN 0.390 nan 8.360 nan 0.000 0.393 290 Y N 2.454 122.746 120.300 -0.013 0.000 2.402 290 Y HA 0.204 4.755 4.550 0.001 0.000 0.325 290 Y C -0.689 175.307 175.900 0.160 0.000 1.009 290 Y CA -1.040 57.013 58.100 -0.078 0.000 1.278 290 Y CB 1.394 39.570 38.460 -0.473 0.000 1.105 290 Y HN 0.400 nan 8.280 nan 0.000 0.476 291 D N 2.683 123.306 120.400 0.372 0.000 2.392 291 D HA 0.066 4.707 4.640 0.001 0.000 0.228 291 D C -0.792 175.810 176.300 0.503 0.000 1.074 291 D CA -0.593 53.629 54.000 0.371 0.000 0.838 291 D CB 0.464 41.388 40.800 0.207 0.000 1.067 291 D HN 0.432 nan 8.370 nan 0.000 0.511 292 Y N 3.802 124.348 120.300 0.411 0.000 2.721 292 Y HA 0.016 4.566 4.550 0.001 0.000 0.329 292 Y C 0.476 176.401 175.900 0.041 0.000 1.211 292 Y CA 0.402 58.591 58.100 0.148 0.000 1.512 292 Y CB 0.625 39.189 38.460 0.172 0.000 1.249 292 Y HN 0.233 nan 8.280 nan 0.000 0.549 293 V N 3.863 123.350 119.914 -0.712 0.000 2.743 293 V HA 0.179 4.299 4.120 0.001 0.000 0.237 293 V C 0.584 176.095 176.094 -0.971 0.000 1.113 293 V CA 1.240 63.183 62.300 -0.595 0.000 1.141 293 V CB 0.385 32.029 31.823 -0.298 0.000 0.873 293 V HN 0.845 nan 8.190 nan 0.000 0.486 294 T N 0.243 114.105 114.554 -1.153 0.000 2.686 294 T HA 0.352 4.702 4.350 0.001 0.000 0.308 294 T C -2.321 172.008 174.700 -0.619 0.000 1.667 294 T CA -0.500 61.105 62.100 -0.825 0.000 0.987 294 T CB 1.623 70.272 68.868 -0.364 0.000 1.652 294 T HN 0.532 nan 8.240 nan 0.000 0.496 295 N N 1.181 119.603 118.700 -0.464 0.000 2.494 295 N HA 0.444 5.184 4.740 0.001 0.000 0.270 295 N C -1.824 173.430 175.510 -0.428 0.000 1.285 295 N CA -0.716 51.887 53.050 -0.746 0.000 0.812 295 N CB 2.260 39.672 38.487 -1.793 0.000 1.557 295 N HN 0.492 nan 8.380 nan 0.000 0.487 296 E N 0.615 120.596 120.200 -0.364 0.000 2.402 296 E HA 0.398 4.749 4.350 0.001 0.000 0.244 296 E C 0.673 177.176 176.600 -0.161 0.000 0.945 296 E CA -0.135 56.150 56.400 -0.192 0.000 0.774 296 E CB 0.999 30.620 29.700 -0.131 0.000 1.296 296 E HN 0.994 nan 8.360 nan 0.000 0.414 297 G N 3.001 111.736 108.800 -0.108 0.000 2.556 297 G HA2 -0.405 3.556 3.960 0.001 0.000 0.283 297 G HA3 -0.405 3.556 3.960 0.001 0.000 0.283 297 G C 0.925 175.805 174.900 -0.034 0.000 1.177 297 G CA 0.635 45.725 45.100 -0.016 0.000 0.978 297 G HN 0.536 nan 8.290 nan 0.000 0.554 298 T N -1.402 113.160 114.554 0.012 0.000 3.129 298 T HA 0.431 4.781 4.350 0.001 0.000 0.251 298 T C 0.855 175.492 174.700 -0.106 0.000 1.117 298 T CA 0.987 63.078 62.100 -0.015 0.000 1.034 298 T CB 0.196 69.124 68.868 0.098 0.000 0.968 298 T HN 1.025 nan 8.240 nan 0.000 0.526 299 V N 2.757 122.596 119.914 -0.124 0.000 2.353 299 V HA 0.406 4.526 4.120 0.001 0.000 0.264 299 V C -0.644 175.305 176.094 -0.242 0.000 1.049 299 V CA -0.830 61.409 62.300 -0.101 0.000 0.896 299 V CB -0.522 31.260 31.823 -0.067 0.000 1.025 299 V HN 0.327 nan 8.190 nan 0.000 0.475 300 F N 2.504 122.206 119.950 -0.413 0.000 2.415 300 F HA 0.456 4.983 4.527 0.001 0.000 0.348 300 F C 0.918 176.477 175.800 -0.401 0.000 1.119 300 F CA -0.426 57.282 58.000 -0.486 0.000 1.069 300 F CB 1.765 40.365 39.000 -0.667 0.000 1.124 300 F HN 0.312 nan 8.300 nan 0.000 0.472 301 T N 5.019 119.355 114.554 -0.364 0.000 2.744 301 T HA 0.532 4.883 4.350 0.001 0.000 0.291 301 T C -0.794 173.690 174.700 -0.360 0.000 0.957 301 T CA -0.157 61.791 62.100 -0.253 0.000 1.002 301 T CB 0.026 68.755 68.868 -0.231 0.000 0.919 301 T HN 0.173 nan 8.240 nan 0.000 0.468 302 F N 1.638 121.607 119.950 0.031 0.000 2.563 302 F HA 0.506 5.033 4.527 0.001 0.000 0.316 302 F C 0.354 176.176 175.800 0.035 0.000 1.076 302 F CA -1.284 56.761 58.000 0.075 0.000 0.921 302 F CB 1.905 41.002 39.000 0.162 0.000 1.209 302 F HN 0.282 nan 8.300 nan 0.000 0.462 303 K N 1.432 121.979 120.400 0.245 0.000 2.201 303 K HA 0.566 4.886 4.320 0.001 0.000 0.278 303 K C -0.736 175.954 176.600 0.150 0.000 1.027 303 K CA -0.036 56.341 56.287 0.150 0.000 0.909 303 K CB 1.325 33.882 32.500 0.095 0.000 1.062 303 K HN 0.773 nan 8.250 nan 0.000 0.465 304 T N 1.627 116.236 114.554 0.092 0.000 2.883 304 T HA 0.294 4.644 4.350 0.001 0.000 0.296 304 T C -0.557 174.064 174.700 -0.130 0.000 1.117 304 T CA -0.803 61.230 62.100 -0.111 0.000 1.006 304 T CB 0.861 69.573 68.868 -0.260 0.000 1.191 304 T HN 0.808 nan 8.240 nan 0.000 0.508 305 N N 0.825 119.311 118.700 -0.355 0.000 2.197 305 N HA 0.160 4.900 4.740 0.001 0.000 0.228 305 N C 0.011 175.319 175.510 -0.336 0.000 1.212 305 N CA -0.545 52.172 53.050 -0.554 0.000 0.883 305 N CB -0.006 37.875 38.487 -1.009 0.000 1.107 305 N HN 0.339 nan 8.380 nan 0.000 0.519 306 R N 1.418 121.758 120.500 -0.266 0.000 2.446 306 R HA 0.024 4.365 4.340 0.001 0.000 0.325 306 R C -0.484 175.766 176.300 -0.084 0.000 0.997 306 R CA 0.411 56.400 56.100 -0.184 0.000 1.010 306 R CB -1.456 28.864 30.300 0.033 0.000 0.946 306 R HN 0.451 nan 8.270 nan 0.000 0.422 307 H N 1.279 120.338 119.070 -0.019 0.000 2.776 307 H HA -0.211 4.345 4.556 0.001 0.000 0.300 307 H C -0.911 174.404 175.328 -0.021 0.000 1.161 307 H CA 1.482 57.523 56.048 -0.010 0.000 1.147 307 H CB -1.258 28.512 29.762 0.014 0.000 1.366 307 H HN 0.649 nan 8.280 nan 0.000 0.397 308 S N -1.853 113.833 115.700 -0.023 0.000 2.413 308 S HA 0.211 4.681 4.470 0.001 0.000 0.170 308 S C -1.810 172.690 174.600 -0.167 0.000 1.294 308 S CA -0.830 57.346 58.200 -0.041 0.000 1.201 308 S CB 2.088 65.281 63.200 -0.012 0.000 1.328 308 S HN -0.027 nan 8.310 nan 0.000 0.418 309 P HA -0.091 nan 4.420 nan 0.000 0.221 309 P C 0.372 177.619 177.300 -0.088 0.000 1.145 309 P CA 1.094 64.115 63.100 -0.132 0.000 0.795 309 P CB -0.020 31.676 31.700 -0.006 0.000 0.775 310 N N -1.635 117.086 118.700 0.036 0.000 2.322 310 N HA 0.040 4.781 4.740 0.001 0.000 0.194 310 N C -0.275 175.445 175.510 0.350 0.000 1.126 310 N CA -0.042 53.141 53.050 0.221 0.000 0.845 310 N CB -0.487 38.135 38.487 0.224 0.000 0.976 310 N HN 0.145 nan 8.380 nan 0.000 0.475 311 Y N -0.222 120.106 120.300 0.047 0.000 2.515 311 Y HA -0.327 4.223 4.550 0.001 0.000 0.021 311 Y C 0.607 176.526 175.900 0.032 0.000 1.710 311 Y CA -0.053 58.055 58.100 0.014 0.000 1.413 311 Y CB -0.499 37.944 38.460 -0.029 0.000 2.059 311 Y HN 0.232 nan 8.280 nan 0.000 0.255 312 R N 0.548 121.143 120.500 0.159 0.000 2.747 312 R HA 0.896 5.236 4.340 0.001 0.000 0.272 312 R C -2.237 174.118 176.300 0.092 0.000 1.032 312 R CA -1.343 54.826 56.100 0.115 0.000 0.896 312 R CB 1.496 31.863 30.300 0.112 0.000 1.253 312 R HN 0.516 nan 8.270 nan 0.000 0.461 313 L N 2.441 123.707 121.223 0.072 0.000 2.313 313 L HA 0.607 4.948 4.340 0.001 0.000 0.283 313 L C -0.162 176.767 176.870 0.098 0.000 1.013 313 L CA -0.953 53.925 54.840 0.064 0.000 0.816 313 L CB 1.613 43.676 42.059 0.006 0.000 1.236 313 L HN 0.563 nan 8.230 nan 0.000 0.419 314 I N -0.297 120.350 120.570 0.129 0.000 2.846 314 I HA 0.608 4.778 4.170 0.001 0.000 0.307 314 I C -0.954 175.237 176.117 0.124 0.000 1.053 314 I CA -0.891 60.498 61.300 0.147 0.000 1.050 314 I CB 2.253 40.362 38.000 0.183 0.000 1.239 314 I HN 0.368 nan 8.210 nan 0.000 0.439 315 N N 4.473 123.237 118.700 0.107 0.000 2.417 315 N HA 0.585 5.325 4.740 0.001 0.000 0.274 315 N C -1.127 174.419 175.510 0.060 0.000 0.987 315 N CA -0.284 52.812 53.050 0.076 0.000 0.912 315 N CB 2.105 40.628 38.487 0.061 0.000 1.177 315 N HN 0.572 nan 8.380 nan 0.000 0.490 316 I N 0.840 121.439 120.570 0.049 0.000 2.339 316 I HA 0.177 4.347 4.170 0.001 0.000 0.290 316 I C -0.099 176.113 176.117 0.158 0.000 0.994 316 I CA -0.754 60.528 61.300 -0.030 0.000 1.191 316 I CB 1.429 39.315 38.000 -0.190 0.000 1.343 316 I HN 0.238 nan 8.210 nan 0.000 0.458 317 D N 6.218 126.740 120.400 0.202 0.000 2.313 317 D HA 0.143 4.783 4.640 0.001 0.000 0.239 317 D C 0.845 177.335 176.300 0.318 0.000 1.142 317 D CA -0.281 53.832 54.000 0.189 0.000 0.847 317 D CB 0.843 41.742 40.800 0.165 0.000 1.082 317 D HN 0.234 nan 8.370 nan 0.000 0.480 318 F N 1.551 121.514 119.950 0.022 0.000 2.307 318 F HA -0.145 4.383 4.527 0.001 0.000 0.301 318 F C 2.530 178.377 175.800 0.077 0.000 1.076 318 F CA 1.203 59.180 58.000 -0.038 0.000 1.383 318 F CB -1.299 37.529 39.000 -0.287 0.000 1.055 318 F HN 0.437 nan 8.300 nan 0.000 0.526 319 T N -4.050 110.669 114.554 0.275 0.000 3.100 319 T HA 0.038 4.388 4.350 0.001 0.000 0.253 319 T C 0.370 175.172 174.700 0.169 0.000 1.118 319 T CA 0.525 62.745 62.100 0.201 0.000 1.058 319 T CB 0.022 68.987 68.868 0.161 0.000 0.953 319 T HN 0.023 nan 8.240 nan 0.000 0.515 320 D N 1.398 121.914 120.400 0.194 0.000 3.118 320 D HA 0.262 4.903 4.640 0.001 0.000 0.286 320 D C -2.027 174.419 176.300 0.244 0.000 1.255 320 D CA -1.589 52.518 54.000 0.178 0.000 0.748 320 D CB 1.265 42.158 40.800 0.155 0.000 1.332 320 D HN 0.043 nan 8.370 nan 0.000 0.575 321 P HA -0.051 nan 4.420 nan 0.000 0.233 321 P C -0.079 177.454 177.300 0.388 0.000 1.167 321 P CA 0.250 63.558 63.100 0.347 0.000 0.770 321 P CB 0.423 32.263 31.700 0.233 0.000 0.837 322 E N 0.833 121.142 120.200 0.182 0.000 2.414 322 E HA -0.066 4.284 4.350 0.001 0.000 0.263 322 E C 1.211 177.664 176.600 -0.245 0.000 1.000 322 E CA -0.033 56.370 56.400 0.005 0.000 0.914 322 E CB 0.569 30.255 29.700 -0.023 0.000 0.948 322 E HN 0.216 nan 8.360 nan 0.000 0.444 323 E N 2.104 121.913 120.200 -0.651 0.000 2.130 323 E HA -0.261 4.089 4.350 0.001 0.000 0.196 323 E C 1.661 177.754 176.600 -0.844 0.000 0.998 323 E CA 1.659 57.138 56.400 -1.536 0.000 0.806 323 E CB 0.080 29.052 29.700 -1.213 0.000 0.738 323 E HN 0.556 nan 8.360 nan 0.000 0.459 324 S N -0.260 115.207 115.700 -0.389 0.000 2.469 324 S HA -0.065 4.405 4.470 0.001 0.000 0.238 324 S C 1.501 176.057 174.600 -0.073 0.000 0.998 324 S CA 0.605 58.694 58.200 -0.184 0.000 0.957 324 S CB 0.032 63.166 63.200 -0.111 0.000 0.764 324 S HN 0.112 nan 8.310 nan 0.000 0.514 325 K N -0.019 120.357 120.400 -0.039 0.000 2.379 325 K HA 0.168 4.489 4.320 0.001 0.000 0.194 325 K C -0.151 176.624 176.600 0.292 0.000 1.031 325 K CA -0.236 56.124 56.287 0.122 0.000 1.037 325 K CB -0.204 32.386 32.500 0.151 0.000 0.824 325 K HN 0.457 nan 8.250 nan 0.000 0.516 326 W N 2.893 124.250 121.300 0.095 0.000 2.231 326 W HA 0.032 4.692 4.660 0.001 0.000 0.341 326 W C 0.688 177.269 176.519 0.103 0.000 1.298 326 W CA -0.601 56.815 57.345 0.118 0.000 1.266 326 W CB 0.034 29.578 29.460 0.140 0.000 1.172 326 W HN -0.281 nan 8.180 nan 0.000 0.568 327 K N 2.254 122.844 120.400 0.317 0.000 2.185 327 K HA 0.388 4.709 4.320 0.001 0.000 0.269 327 K C -0.729 175.986 176.600 0.191 0.000 0.987 327 K CA -1.095 55.316 56.287 0.206 0.000 0.865 327 K CB 1.818 34.406 32.500 0.146 0.000 1.090 327 K HN 0.116 nan 8.250 nan 0.000 0.450 328 V N 5.208 125.220 119.914 0.164 0.000 2.372 328 V HA 0.015 4.136 4.120 0.001 0.000 0.261 328 V C 1.514 177.674 176.094 0.109 0.000 1.055 328 V CA -0.220 62.167 62.300 0.145 0.000 0.930 328 V CB 0.586 32.489 31.823 0.133 0.000 1.031 328 V HN 0.634 nan 8.190 nan 0.000 0.479 329 L N 6.410 127.691 121.223 0.096 0.000 2.068 329 L HA 0.178 4.518 4.340 0.001 0.000 0.204 329 L C 0.798 177.711 176.870 0.071 0.000 1.076 329 L CA 1.860 56.744 54.840 0.072 0.000 0.753 329 L CB 0.446 42.535 42.059 0.050 0.000 0.910 329 L HN 0.440 nan 8.230 nan 0.000 0.439 330 V N 1.219 121.173 119.914 0.066 0.000 2.357 330 V HA 0.374 4.495 4.120 0.001 0.000 0.281 330 V C -2.273 173.878 176.094 0.096 0.000 1.015 330 V CA -1.534 60.808 62.300 0.070 0.000 0.827 330 V CB 1.010 32.835 31.823 0.003 0.000 1.018 330 V HN 0.093 nan 8.190 nan 0.000 0.432 331 P HA 0.057 nan 4.420 nan 0.000 0.269 331 P C 0.004 177.384 177.300 0.134 0.000 1.217 331 P CA -0.069 63.094 63.100 0.106 0.000 0.783 331 P CB 0.656 32.405 31.700 0.083 0.000 0.898 332 E N 1.401 121.675 120.200 0.124 0.000 2.392 332 E HA -0.042 4.308 4.350 0.001 0.000 0.264 332 E C -0.268 176.428 176.600 0.161 0.000 1.024 332 E CA -0.191 56.302 56.400 0.155 0.000 0.903 332 E CB 0.315 30.081 29.700 0.112 0.000 0.963 332 E HN 0.459 nan 8.360 nan 0.000 0.432 333 H N 3.028 122.177 119.070 0.131 0.000 2.511 333 H HA 0.003 4.559 4.556 0.001 0.000 0.346 333 H C 0.899 176.271 175.328 0.073 0.000 1.128 333 H CA 0.341 56.438 56.048 0.081 0.000 1.342 333 H CB 1.247 31.050 29.762 0.069 0.000 1.470 333 H HN 0.795 nan 8.280 nan 0.000 0.546 334 E N 2.663 122.680 120.200 -0.305 0.000 2.204 334 E HA -0.181 4.169 4.350 0.001 0.000 0.195 334 E C 1.016 177.661 176.600 0.076 0.000 0.990 334 E CA 1.209 57.543 56.400 -0.110 0.000 0.821 334 E CB 0.413 29.995 29.700 -0.197 0.000 0.750 334 E HN 0.526 nan 8.360 nan 0.000 0.477 335 K N -0.233 120.353 120.400 0.310 0.000 2.711 335 K HA 0.061 4.382 4.320 0.001 0.000 0.197 335 K C -0.577 176.212 176.600 0.316 0.000 1.535 335 K CA -0.030 56.426 56.287 0.281 0.000 1.170 335 K CB 0.820 33.433 32.500 0.189 0.000 1.596 335 K HN -0.071 nan 8.250 nan 0.000 0.584 336 D N 1.918 122.531 120.400 0.356 0.000 2.351 336 D HA 0.088 4.728 4.640 0.001 0.000 0.251 336 D C -0.498 175.948 176.300 0.244 0.000 1.137 336 D CA -0.008 54.068 54.000 0.127 0.000 0.879 336 D CB 1.700 42.366 40.800 -0.223 0.000 1.181 336 D HN -0.134 nan 8.370 nan 0.000 0.448 337 V N 2.872 122.893 119.914 0.178 0.000 2.498 337 V HA 0.049 4.170 4.120 0.001 0.000 0.279 337 V C 0.322 176.445 176.094 0.049 0.000 1.048 337 V CA -0.793 61.600 62.300 0.155 0.000 0.967 337 V CB 1.281 33.137 31.823 0.056 0.000 0.988 337 V HN 0.332 nan 8.190 nan 0.000 0.473 338 L N 5.311 126.498 121.223 -0.060 0.000 2.312 338 L HA 0.301 4.642 4.340 0.001 0.000 0.287 338 L C 1.201 177.807 176.870 -0.439 0.000 1.091 338 L CA 0.674 55.204 54.840 -0.516 0.000 0.846 338 L CB 0.041 41.838 42.059 -0.436 0.000 1.219 338 L HN 0.714 nan 8.230 nan 0.000 0.439 339 E N 5.239 125.169 120.200 -0.449 0.000 2.047 339 E HA -0.038 4.312 4.350 0.001 0.000 0.191 339 E C -0.523 175.980 176.600 -0.162 0.000 0.987 339 E CA 1.434 57.651 56.400 -0.306 0.000 0.799 339 E CB 0.146 29.744 29.700 -0.170 0.000 0.752 339 E HN 0.746 nan 8.360 nan 0.000 0.449 340 W N -1.506 119.613 121.300 -0.302 0.000 3.153 340 W HA 0.560 5.221 4.660 0.001 0.000 0.316 340 W C -1.697 174.660 176.519 -0.271 0.000 1.255 340 W CA -0.814 56.382 57.345 -0.250 0.000 1.192 340 W CB 0.626 29.971 29.460 -0.191 0.000 1.400 340 W HN -0.390 nan 8.180 nan 0.000 0.568 341 V N 1.312 121.317 119.914 0.152 0.000 2.841 341 V HA 0.839 4.960 4.120 0.001 0.000 0.310 341 V C -0.308 175.853 176.094 0.112 0.000 1.090 341 V CA -0.698 61.602 62.300 -0.001 0.000 0.930 341 V CB 1.192 32.946 31.823 -0.114 0.000 1.014 341 V HN 0.900 nan 8.190 nan 0.000 0.425 342 A N 2.120 124.978 122.820 0.064 0.000 2.454 342 A HA 0.819 5.139 4.320 0.001 0.000 0.302 342 A C -0.865 176.766 177.584 0.079 0.000 1.079 342 A CA -0.504 51.580 52.037 0.079 0.000 0.731 342 A CB 1.830 20.863 19.000 0.055 0.000 1.299 342 A HN 1.083 nan 8.150 nan 0.000 0.413 343 C N 1.770 121.122 119.300 0.086 0.000 2.351 343 C HA 0.838 5.298 4.460 0.001 0.000 0.326 343 C C -0.389 174.701 174.990 0.166 0.000 1.272 343 C CA -0.131 58.939 59.018 0.086 0.000 1.650 343 C CB 0.024 27.754 27.740 -0.016 0.000 2.257 343 C HN 1.142 nan 8.230 nan 0.000 0.505 344 V N 6.645 126.686 119.914 0.212 0.000 3.114 344 V HA 0.675 4.796 4.120 0.001 0.000 0.308 344 V C 0.317 176.527 176.094 0.194 0.000 1.168 344 V CA -0.571 61.868 62.300 0.231 0.000 1.015 344 V CB 1.785 33.799 31.823 0.318 0.000 1.050 344 V HN 1.052 nan 8.190 nan 0.000 0.433 345 R N 3.293 123.872 120.500 0.131 0.000 3.322 345 R HA -0.218 4.122 4.340 0.001 0.000 0.253 345 R C 0.946 177.193 176.300 -0.088 0.000 0.987 345 R CA 0.904 57.023 56.100 0.032 0.000 0.666 345 R CB -1.442 28.895 30.300 0.061 0.000 1.072 345 R HN 1.379 nan 8.270 nan 0.000 0.447 346 S N -1.576 114.104 115.700 -0.033 0.000 1.694 346 S HA -0.330 4.140 4.470 0.001 0.000 0.236 346 S C 0.628 175.180 174.600 -0.080 0.000 0.821 346 S CA 2.046 60.210 58.200 -0.059 0.000 1.530 346 S CB -0.964 62.187 63.200 -0.082 0.000 1.703 346 S HN 0.863 nan 8.310 nan 0.000 0.517 347 N N 1.162 119.760 118.700 -0.170 0.000 2.282 347 N HA 0.363 5.104 4.740 0.001 0.000 0.240 347 N C -0.846 174.644 175.510 -0.034 0.000 1.182 347 N CA -0.113 52.857 53.050 -0.133 0.000 0.874 347 N CB -0.112 38.280 38.487 -0.159 0.000 1.126 347 N HN 0.383 nan 8.380 nan 0.000 0.516 348 F N 0.690 120.662 119.950 0.038 0.000 2.492 348 F HA 0.593 5.120 4.527 0.001 0.000 0.327 348 F C 0.188 176.022 175.800 0.058 0.000 1.079 348 F CA -1.492 56.543 58.000 0.059 0.000 0.967 348 F CB 1.574 40.626 39.000 0.086 0.000 1.169 348 F HN -0.180 nan 8.300 nan 0.000 0.472 349 L N 2.853 124.241 121.223 0.275 0.000 2.385 349 L HA 0.597 4.938 4.340 0.001 0.000 0.273 349 L C -1.059 175.870 176.870 0.098 0.000 0.990 349 L CA -0.986 53.931 54.840 0.128 0.000 0.821 349 L CB 2.152 44.237 42.059 0.045 0.000 1.279 349 L HN 0.176 nan 8.230 nan 0.000 0.412 350 V N 4.854 124.794 119.914 0.043 0.000 2.350 350 V HA 0.409 4.530 4.120 0.001 0.000 0.276 350 V C 0.040 175.989 176.094 -0.243 0.000 1.028 350 V CA -0.390 61.894 62.300 -0.026 0.000 0.860 350 V CB 1.581 33.398 31.823 -0.011 0.000 0.990 350 V HN 0.460 nan 8.190 nan 0.000 0.453 351 L N 4.633 125.683 121.223 -0.289 0.000 2.322 351 L HA 0.560 4.900 4.340 0.001 0.000 0.281 351 L C -0.363 176.110 176.870 -0.661 0.000 1.014 351 L CA -0.285 54.247 54.840 -0.512 0.000 0.815 351 L CB 1.738 43.531 42.059 -0.442 0.000 1.247 351 L HN 0.658 nan 8.230 nan 0.000 0.421 352 C N 3.846 122.500 119.300 -1.076 0.000 2.301 352 C HA 0.588 5.048 4.460 0.001 0.000 0.323 352 C C -0.312 174.235 174.990 -0.738 0.000 1.265 352 C CA -0.372 58.037 59.018 -1.016 0.000 1.503 352 C CB -0.254 26.351 27.740 -1.892 0.000 2.195 352 C HN 0.647 nan 8.230 nan 0.000 0.477 353 Y N 3.722 123.817 120.300 -0.343 0.000 2.496 353 Y HA 0.665 5.215 4.550 0.001 0.000 0.331 353 Y C -0.001 175.815 175.900 -0.140 0.000 1.140 353 Y CA -0.756 57.211 58.100 -0.222 0.000 1.166 353 Y CB 1.378 39.727 38.460 -0.186 0.000 1.249 353 Y HN 0.533 nan 8.280 nan 0.000 0.479 354 L N 2.853 124.121 121.223 0.075 0.000 2.295 354 L HA 0.337 4.678 4.340 0.001 0.000 0.281 354 L C -1.316 175.590 176.870 0.059 0.000 1.018 354 L CA -0.384 54.476 54.840 0.033 0.000 0.841 354 L CB 0.187 42.217 42.059 -0.048 0.000 1.218 354 L HN 0.645 nan 8.230 nan 0.000 0.424 355 H N 4.268 123.334 119.070 -0.007 0.000 2.638 355 H HA 0.335 4.892 4.556 0.001 0.000 0.303 355 H C -0.530 174.823 175.328 0.042 0.000 1.034 355 H CA -0.339 55.706 56.048 -0.005 0.000 1.225 355 H CB 0.460 30.209 29.762 -0.022 0.000 1.394 355 H HN 0.646 nan 8.280 nan 0.000 0.477 356 D N 4.562 124.788 120.400 -0.290 0.000 2.697 356 D HA -0.183 4.458 4.640 0.001 0.000 0.235 356 D C 0.308 176.585 176.300 -0.038 0.000 1.167 356 D CA 1.232 55.160 54.000 -0.121 0.000 0.656 356 D CB -1.217 39.551 40.800 -0.053 0.000 1.025 356 D HN 0.618 nan 8.370 nan 0.000 0.419 357 V N -2.648 117.198 119.914 -0.112 0.000 4.591 357 V HA -0.359 3.761 4.120 0.001 0.000 0.261 357 V C 0.605 176.836 176.094 0.229 0.000 0.425 357 V CA 1.848 64.168 62.300 0.033 0.000 0.826 357 V CB -1.911 29.935 31.823 0.037 0.000 0.812 357 V HN 0.530 nan 8.190 nan 0.000 1.340 358 K N 0.148 120.656 120.400 0.179 0.000 2.427 358 K HA 0.582 4.902 4.320 0.001 0.000 0.252 358 K C -0.254 176.441 176.600 0.158 0.000 0.931 358 K CA -0.740 55.667 56.287 0.202 0.000 0.793 358 K CB 2.119 34.777 32.500 0.262 0.000 1.211 358 K HN 0.350 nan 8.250 nan 0.000 0.426 359 N N 0.709 119.496 118.700 0.146 0.000 2.530 359 N HA 0.255 4.996 4.740 0.001 0.000 0.277 359 N C -0.831 174.751 175.510 0.120 0.000 1.168 359 N CA -0.027 53.096 53.050 0.122 0.000 0.979 359 N CB 1.019 39.584 38.487 0.132 0.000 1.141 359 N HN 0.552 nan 8.380 nan 0.000 0.459 360 T N -0.813 113.778 114.554 0.062 0.000 2.906 360 T HA 0.559 4.910 4.350 0.001 0.000 0.295 360 T C -0.841 173.846 174.700 -0.022 0.000 1.061 360 T CA -0.893 61.222 62.100 0.025 0.000 1.000 360 T CB 1.110 69.972 68.868 -0.010 0.000 1.103 360 T HN 0.183 nan 8.240 nan 0.000 0.486 361 L N 2.316 123.518 121.223 -0.035 0.000 2.410 361 L HA 0.595 4.935 4.340 0.001 0.000 0.270 361 L C -0.933 175.947 176.870 0.016 0.000 0.983 361 L CA -0.667 54.133 54.840 -0.067 0.000 0.822 361 L CB 1.998 43.976 42.059 -0.134 0.000 1.285 361 L HN 1.017 nan 8.230 nan 0.000 0.409 362 Q N 3.166 122.975 119.800 0.015 0.000 2.462 362 Q HA 0.561 4.902 4.340 0.001 0.000 0.285 362 Q C -1.940 174.067 176.000 0.011 0.000 1.035 362 Q CA -0.999 54.753 55.803 -0.085 0.000 0.799 362 Q CB 3.213 31.921 28.738 -0.050 0.000 1.452 362 Q HN 0.429 nan 8.270 nan 0.000 0.404 363 L N 1.314 122.415 121.223 -0.204 0.000 2.322 363 L HA 0.541 4.881 4.340 0.001 0.000 0.281 363 L C -1.151 175.651 176.870 -0.113 0.000 1.014 363 L CA -0.089 54.681 54.840 -0.118 0.000 0.815 363 L CB 1.390 43.225 42.059 -0.374 0.000 1.247 363 L HN 0.707 nan 8.230 nan 0.000 0.421 364 H N 1.454 120.465 119.070 -0.097 0.000 2.834 364 H HA 0.278 4.834 4.556 0.001 0.000 0.369 364 H C -1.385 173.992 175.328 0.081 0.000 1.174 364 H CA -0.940 55.092 56.048 -0.027 0.000 1.165 364 H CB 2.222 31.982 29.762 -0.003 0.000 1.820 364 H HN 0.565 nan 8.280 nan 0.000 0.558 365 D N 1.105 121.631 120.400 0.210 0.000 2.308 365 D HA -0.010 4.631 4.640 0.001 0.000 0.251 365 D C 0.853 177.250 176.300 0.161 0.000 1.127 365 D CA -0.430 53.697 54.000 0.212 0.000 0.876 365 D CB 1.135 42.015 40.800 0.133 0.000 1.176 365 D HN 0.284 nan 8.370 nan 0.000 0.446 366 L N 4.724 126.025 121.223 0.129 0.000 2.093 366 L HA 0.078 4.418 4.340 0.001 0.000 0.208 366 L C 1.926 178.816 176.870 0.033 0.000 1.085 366 L CA 2.136 57.012 54.840 0.060 0.000 0.755 366 L CB -0.804 41.267 42.059 0.020 0.000 0.904 366 L HN 0.586 nan 8.230 nan 0.000 0.435 367 A N -1.241 121.599 122.820 0.033 0.000 1.930 367 A HA -0.162 4.159 4.320 0.001 0.000 0.217 367 A C 2.226 179.831 177.584 0.035 0.000 1.175 367 A CA 2.252 54.302 52.037 0.022 0.000 0.627 367 A CB -0.956 18.053 19.000 0.016 0.000 0.815 367 A HN 0.601 nan 8.150 nan 0.000 0.443 368 T N -6.365 108.220 114.554 0.051 0.000 2.959 368 T HA 0.438 4.789 4.350 0.001 0.000 0.254 368 T C 1.412 176.157 174.700 0.075 0.000 1.003 368 T CA 1.068 63.201 62.100 0.055 0.000 0.950 368 T CB 0.457 69.354 68.868 0.049 0.000 1.090 368 T HN 1.721 nan 8.240 nan 0.000 0.503 369 G N 1.750 110.609 108.800 0.099 0.000 2.179 369 G HA2 -0.054 3.906 3.960 0.001 0.000 0.260 369 G HA3 -0.054 3.906 3.960 0.001 0.000 0.260 369 G C 0.367 175.412 174.900 0.240 0.000 0.977 369 G CA -0.031 45.156 45.100 0.145 0.000 0.641 369 G HN 1.251 nan 8.290 nan 0.000 0.533 370 A N 0.038 122.939 122.820 0.135 0.000 2.498 370 A HA 0.607 4.928 4.320 0.001 0.000 0.239 370 A C 0.643 178.161 177.584 -0.109 0.000 1.068 370 A CA 0.358 52.425 52.037 0.050 0.000 0.766 370 A CB 0.511 19.516 19.000 0.008 0.000 1.003 370 A HN 1.665 nan 8.150 nan 0.000 0.497 371 L N 2.500 123.523 121.223 -0.333 0.000 2.453 371 L HA 0.289 4.629 4.340 0.001 0.000 0.272 371 L C 0.466 177.094 176.870 -0.403 0.000 1.182 371 L CA 0.618 55.011 54.840 -0.745 0.000 0.858 371 L CB 0.185 41.923 42.059 -0.535 0.000 1.120 371 L HN 0.724 nan 8.230 nan 0.000 0.474 372 L N 2.628 123.601 121.223 -0.415 0.000 2.624 372 L HA 0.387 4.728 4.340 0.001 0.000 0.222 372 L C 0.052 176.721 176.870 -0.336 0.000 1.046 372 L CA -0.118 54.548 54.840 -0.289 0.000 0.872 372 L CB 0.053 41.968 42.059 -0.240 0.000 1.190 372 L HN 0.599 nan 8.230 nan 0.000 0.487 373 K N 0.516 120.644 120.400 -0.453 0.000 2.542 373 K HA 0.531 4.852 4.320 0.001 0.000 0.259 373 K C -1.742 174.460 176.600 -0.663 0.000 0.932 373 K CA -0.237 55.726 56.287 -0.540 0.000 0.820 373 K CB 1.828 33.931 32.500 -0.662 0.000 1.345 373 K HN -0.050 nan 8.250 nan 0.000 0.432 374 I N 4.416 124.655 120.570 -0.551 0.000 2.378 374 I HA 0.389 4.559 4.170 0.001 0.000 0.291 374 I C -0.709 175.117 176.117 -0.484 0.000 0.992 374 I CA -0.879 60.147 61.300 -0.457 0.000 1.154 374 I CB 0.852 38.693 38.000 -0.264 0.000 1.315 374 I HN 0.477 nan 8.210 nan 0.000 0.448 375 F N 7.634 127.466 119.950 -0.197 0.000 2.390 375 F HA 0.318 4.846 4.527 0.001 0.000 0.361 375 F C -1.707 173.973 175.800 -0.200 0.000 1.124 375 F CA -2.671 55.199 58.000 -0.216 0.000 1.149 375 F CB 0.161 38.941 39.000 -0.367 0.000 1.160 375 F HN 0.240 nan 8.300 nan 0.000 0.501 376 P HA 0.193 nan 4.420 nan 0.000 0.267 376 P C -0.828 176.397 177.300 -0.125 0.000 1.205 376 P CA 0.233 63.294 63.100 -0.065 0.000 0.765 376 P CB 1.226 32.895 31.700 -0.051 0.000 0.828 377 L N 1.697 122.853 121.223 -0.113 0.000 2.393 377 L HA 0.415 4.756 4.340 0.001 0.000 0.260 377 L C 0.664 177.439 176.870 -0.159 0.000 1.002 377 L CA -1.116 53.605 54.840 -0.198 0.000 0.818 377 L CB 2.173 44.190 42.059 -0.071 0.000 1.369 377 L HN 0.249 nan 8.230 nan 0.000 0.412 378 E N 0.526 120.522 120.200 -0.339 0.000 2.622 378 E HA 0.270 4.620 4.350 0.001 0.000 0.255 378 E C -0.705 176.009 176.600 0.190 0.000 1.313 378 E CA -0.613 55.736 56.400 -0.085 0.000 1.011 378 E CB 1.220 30.860 29.700 -0.100 0.000 1.173 378 E HN 0.156 nan 8.360 nan 0.000 0.601 379 V N 1.058 121.132 119.914 0.267 0.000 2.421 379 V HA 0.446 4.566 4.120 0.001 0.000 0.271 379 V C 0.801 177.100 176.094 0.341 0.000 1.031 379 V CA 1.208 63.682 62.300 0.290 0.000 1.032 379 V CB 0.037 31.996 31.823 0.226 0.000 1.009 379 V HN 0.798 nan 8.190 nan 0.000 0.477 380 G N 4.261 113.228 108.800 0.278 0.000 2.441 380 G HA2 0.429 4.389 3.960 0.001 0.000 0.225 380 G HA3 0.429 4.389 3.960 0.001 0.000 0.225 380 G C -0.997 173.833 174.900 -0.117 0.000 1.200 380 G CA -0.194 44.843 45.100 -0.105 0.000 0.947 380 G HN 0.574 nan 8.290 nan 0.000 0.484 381 S N -1.262 114.207 115.700 -0.385 0.000 2.568 381 S HA 0.688 5.158 4.470 0.001 0.000 0.293 381 S C -0.728 173.846 174.600 -0.042 0.000 1.089 381 S CA -0.509 57.605 58.200 -0.143 0.000 0.945 381 S CB 2.064 65.168 63.200 -0.161 0.000 1.077 381 S HN 0.810 nan 8.310 nan 0.000 0.485 382 V N 3.015 123.033 119.914 0.173 0.000 2.364 382 V HA 0.246 4.366 4.120 0.001 0.000 0.272 382 V C 0.783 177.032 176.094 0.258 0.000 1.036 382 V CA -0.320 62.173 62.300 0.322 0.000 0.880 382 V CB 1.012 33.103 31.823 0.447 0.000 0.991 382 V HN 0.860 nan 8.190 nan 0.000 0.460 383 V N 1.872 121.908 119.914 0.203 0.000 3.528 383 V HA 0.703 4.824 4.120 0.001 0.000 0.294 383 V C 0.640 176.819 176.094 0.142 0.000 1.404 383 V CA 0.534 62.913 62.300 0.132 0.000 1.065 383 V CB 0.229 32.097 31.823 0.075 0.000 0.904 383 V HN 0.789 nan 8.190 nan 0.000 0.435 384 G N -0.645 108.288 108.800 0.222 0.000 2.718 384 G HA2 0.631 4.591 3.960 0.001 0.000 0.295 384 G HA3 0.631 4.591 3.960 0.001 0.000 0.295 384 G C -2.236 172.861 174.900 0.328 0.000 1.421 384 G CA -0.797 44.434 45.100 0.218 0.000 0.902 384 G HN 0.447 nan 8.290 nan 0.000 0.501 385 Y N 0.718 121.083 120.300 0.108 0.000 2.573 385 Y HA 0.625 5.176 4.550 0.001 0.000 0.328 385 Y C -0.864 175.126 175.900 0.150 0.000 1.170 385 Y CA -0.641 57.554 58.100 0.158 0.000 1.078 385 Y CB 1.837 40.286 38.460 -0.018 0.000 1.341 385 Y HN 1.166 nan 8.280 nan 0.000 0.459 386 S N 3.073 118.270 115.700 -0.839 0.000 2.540 386 S HA 0.917 5.387 4.470 0.001 0.000 0.275 386 S C -0.616 173.538 174.600 -0.744 0.000 1.123 386 S CA -0.356 57.535 58.200 -0.515 0.000 0.907 386 S CB 1.654 64.893 63.200 0.065 0.000 1.081 386 S HN 1.990 nan 8.310 nan 0.000 0.476 387 G N 2.626 111.268 108.800 -0.264 0.000 2.225 387 G HA2 0.307 4.267 3.960 0.001 0.000 0.184 387 G HA3 0.307 4.267 3.960 0.001 0.000 0.184 387 G C -0.981 174.060 174.900 0.236 0.000 2.549 387 G CA -0.457 44.664 45.100 0.035 0.000 0.925 387 G HN 1.015 nan 8.290 nan 0.000 0.550 388 Q N 1.351 121.259 119.800 0.181 0.000 2.166 388 Q HA 0.572 4.913 4.340 0.001 0.000 0.226 388 Q C 1.463 177.555 176.000 0.154 0.000 0.989 388 Q CA -0.740 55.171 55.803 0.180 0.000 0.966 388 Q CB 1.764 30.593 28.738 0.151 0.000 1.173 388 Q HN 0.253 nan 8.270 nan 0.000 0.509 389 K N 0.420 120.898 120.400 0.130 0.000 2.059 389 K HA -0.240 4.080 4.320 0.001 0.000 0.212 389 K C 1.826 178.474 176.600 0.080 0.000 1.050 389 K CA 2.431 58.776 56.287 0.096 0.000 0.927 389 K CB -0.059 32.489 32.500 0.080 0.000 0.714 389 K HN 0.679 nan 8.250 nan 0.000 0.447 390 K N -0.249 120.200 120.400 0.080 0.000 2.418 390 K HA 0.013 4.333 4.320 0.001 0.000 0.195 390 K C -0.214 176.423 176.600 0.061 0.000 1.035 390 K CA 0.356 56.678 56.287 0.059 0.000 1.003 390 K CB 0.137 32.668 32.500 0.051 0.000 0.793 390 K HN 0.009 nan 8.250 nan 0.000 0.494 391 D N 2.419 122.870 120.400 0.085 0.000 2.362 391 D HA -0.017 4.623 4.640 0.001 0.000 0.242 391 D C 0.605 176.967 176.300 0.103 0.000 1.132 391 D CA 0.482 54.540 54.000 0.097 0.000 0.907 391 D CB 1.678 42.554 40.800 0.126 0.000 1.195 391 D HN 0.300 nan 8.370 nan 0.000 0.429 392 T N -2.287 112.328 114.554 0.103 0.000 3.182 392 T HA 0.219 4.569 4.350 0.001 0.000 0.277 392 T C 0.247 175.002 174.700 0.092 0.000 1.013 392 T CA -0.522 61.636 62.100 0.098 0.000 0.900 392 T CB 0.024 68.938 68.868 0.076 0.000 1.098 392 T HN 0.574 nan 8.240 nan 0.000 0.543 393 E N 1.004 121.256 120.200 0.086 0.000 2.430 393 E HA 0.637 4.988 4.350 0.001 0.000 0.279 393 E C -1.319 175.266 176.600 -0.025 0.000 1.003 393 E CA -1.421 54.959 56.400 -0.032 0.000 0.801 393 E CB 1.796 31.490 29.700 -0.010 0.000 1.313 393 E HN 0.408 nan 8.360 nan 0.000 0.459 394 I N -1.879 118.577 120.570 -0.190 0.000 2.828 394 I HA 0.714 4.885 4.170 0.001 0.000 0.302 394 I C -1.468 174.499 176.117 -0.250 0.000 1.101 394 I CA -1.216 60.026 61.300 -0.097 0.000 1.031 394 I CB 1.707 39.747 38.000 0.066 0.000 1.231 394 I HN 0.430 nan 8.210 nan 0.000 0.427 395 F N 3.487 123.415 119.950 -0.038 0.000 2.551 395 F HA 0.680 5.208 4.527 0.001 0.000 0.316 395 F C -0.911 174.972 175.800 0.139 0.000 1.089 395 F CA -0.548 57.442 58.000 -0.017 0.000 0.915 395 F CB 2.210 41.183 39.000 -0.044 0.000 1.186 395 F HN 0.512 nan 8.300 nan 0.000 0.456 396 Y N -0.214 120.267 120.300 0.302 0.000 2.441 396 Y HA 0.690 5.240 4.550 0.001 0.000 0.334 396 Y C -1.407 174.739 175.900 0.410 0.000 1.061 396 Y CA -1.915 56.399 58.100 0.356 0.000 1.032 396 Y CB 0.458 39.121 38.460 0.340 0.000 1.266 396 Y HN 0.504 nan 8.280 nan 0.000 0.441 397 c N 4.657 123.549 118.600 0.486 0.000 2.303 397 c HA 0.659 5.229 4.570 0.001 0.000 0.326 397 c C -0.405 173.961 174.090 0.460 0.000 1.285 397 c CA -0.601 55.967 56.329 0.399 0.000 1.675 397 c CB -0.305 42.386 42.510 0.301 0.000 2.289 397 c HN 0.828 nan 8.230 nan 0.000 0.512 398 F N 2.324 122.451 119.950 0.295 0.000 2.522 398 F HA 0.751 5.279 4.527 0.001 0.000 0.324 398 F C 0.150 176.040 175.800 0.151 0.000 1.077 398 F CA 0.176 58.333 58.000 0.262 0.000 0.944 398 F CB 1.716 40.939 39.000 0.372 0.000 1.175 398 F HN 0.546 nan 8.300 nan 0.000 0.468 399 T N 2.446 116.468 114.554 -0.887 0.000 2.821 399 T HA 0.708 5.059 4.350 0.001 0.000 0.306 399 T C -1.365 172.792 174.700 -0.906 0.000 1.313 399 T CA -0.022 61.718 62.100 -0.600 0.000 1.012 399 T CB 1.221 69.959 68.868 -0.216 0.000 1.298 399 T HN 1.081 nan 8.240 nan 0.000 0.502 400 S N 0.654 116.099 115.700 -0.425 0.000 2.727 400 S HA 0.578 5.048 4.470 0.001 0.000 0.278 400 S C 0.061 174.580 174.600 -0.135 0.000 1.186 400 S CA -0.705 57.279 58.200 -0.360 0.000 0.836 400 S CB 0.324 63.464 63.200 -0.099 0.000 1.186 400 S HN 0.444 nan 8.310 nan 0.000 0.499 401 F N 0.482 120.412 119.950 -0.032 0.000 2.234 401 F HA 0.247 4.774 4.527 0.001 0.000 0.299 401 F C 1.856 177.731 175.800 0.124 0.000 1.087 401 F CA 1.111 59.109 58.000 -0.004 0.000 1.340 401 F CB -0.462 38.487 39.000 -0.084 0.000 1.031 401 F HN 0.360 nan 8.300 nan 0.000 0.500 402 L N -1.996 119.435 121.223 0.345 0.000 2.590 402 L HA 0.178 4.518 4.340 0.001 0.000 0.227 402 L C 0.112 177.166 176.870 0.308 0.000 1.099 402 L CA 0.170 55.202 54.840 0.319 0.000 0.872 402 L CB -0.074 42.126 42.059 0.235 0.000 1.088 402 L HN -0.165 nan 8.230 nan 0.000 0.479 403 S N -1.226 114.547 115.700 0.121 0.000 2.541 403 S HA 0.356 4.826 4.470 0.001 0.000 0.280 403 S C -2.048 172.129 174.600 -0.705 0.000 1.112 403 S CA -0.848 57.183 58.200 -0.281 0.000 0.925 403 S CB 2.283 65.438 63.200 -0.076 0.000 1.067 403 S HN -0.274 nan 8.310 nan 0.000 0.479 404 P HA 0.002 nan 4.420 nan 0.000 0.216 404 P C 0.679 177.831 177.300 -0.245 0.000 1.154 404 P CA 1.797 64.389 63.100 -0.847 0.000 0.865 404 P CB -0.012 31.302 31.700 -0.643 0.000 0.789 405 G N -2.247 106.473 108.800 -0.133 0.000 2.361 405 G HA2 0.187 4.147 3.960 0.001 0.000 0.331 405 G HA3 0.187 4.147 3.960 0.001 0.000 0.331 405 G C -1.818 173.127 174.900 0.074 0.000 1.324 405 G CA -0.833 44.304 45.100 0.061 0.000 0.984 405 G HN 0.039 nan 8.290 nan 0.000 0.586 406 I N 0.139 120.795 120.570 0.144 0.000 2.619 406 I HA 0.491 4.661 4.170 0.001 0.000 0.292 406 I C -0.223 175.845 176.117 -0.082 0.000 1.100 406 I CA -0.920 60.326 61.300 -0.089 0.000 1.043 406 I CB 2.293 40.077 38.000 -0.361 0.000 1.239 406 I HN 0.401 nan 8.210 nan 0.000 0.420 407 I N 5.543 126.031 120.570 -0.137 0.000 2.339 407 I HA 0.334 4.505 4.170 0.001 0.000 0.290 407 I C -1.022 175.001 176.117 -0.157 0.000 0.994 407 I CA -0.529 60.769 61.300 -0.005 0.000 1.191 407 I CB 0.898 38.979 38.000 0.135 0.000 1.343 407 I HN 0.391 nan 8.210 nan 0.000 0.458 408 Y N 4.663 124.822 120.300 -0.234 0.000 2.457 408 Y HA 0.450 5.000 4.550 0.001 0.000 0.333 408 Y C 0.212 175.835 175.900 -0.462 0.000 1.119 408 Y CA -0.458 57.362 58.100 -0.467 0.000 1.143 408 Y CB 1.335 39.135 38.460 -1.100 0.000 1.230 408 Y HN 0.473 nan 8.280 nan 0.000 0.469 409 H N 1.412 120.303 119.070 -0.299 0.000 2.768 409 H HA 0.575 5.131 4.556 0.001 0.000 0.371 409 H C -1.698 173.438 175.328 -0.320 0.000 1.151 409 H CA -0.739 54.977 56.048 -0.553 0.000 1.165 409 H CB 2.176 31.510 29.762 -0.712 0.000 1.722 409 H HN 0.806 nan 8.280 nan 0.000 0.543 410 C N 5.063 123.794 119.300 -0.948 0.000 2.599 410 C HA 0.149 4.609 4.460 0.001 0.000 0.354 410 C C -0.762 173.849 174.990 -0.631 0.000 1.092 410 C CA -0.735 57.950 59.018 -0.556 0.000 1.280 410 C CB 0.437 28.065 27.740 -0.187 0.000 1.829 410 C HN 0.887 nan 8.230 nan 0.000 0.454 411 D N 4.413 124.555 120.400 -0.430 0.000 2.344 411 D HA 0.179 4.820 4.640 0.001 0.000 0.253 411 D C 0.905 177.179 176.300 -0.045 0.000 1.255 411 D CA 0.000 53.879 54.000 -0.202 0.000 0.894 411 D CB 0.680 41.444 40.800 -0.060 0.000 1.067 411 D HN 0.695 nan 8.370 nan 0.000 0.492 412 L N 3.015 124.252 121.223 0.022 0.000 2.610 412 L HA -0.021 4.319 4.340 0.001 0.000 0.232 412 L C 2.157 179.141 176.870 0.189 0.000 1.149 412 L CA 0.678 55.617 54.840 0.165 0.000 0.872 412 L CB -0.351 41.887 42.059 0.299 0.000 0.992 412 L HN 0.469 nan 8.230 nan 0.000 0.447 413 T N -4.201 110.415 114.554 0.103 0.000 3.113 413 T HA 0.032 4.382 4.350 0.001 0.000 0.256 413 T C 0.948 175.691 174.700 0.072 0.000 1.131 413 T CA -0.072 62.076 62.100 0.080 0.000 1.074 413 T CB 0.009 68.910 68.868 0.054 0.000 0.944 413 T HN -0.081 nan 8.240 nan 0.000 0.516 414 K N 2.064 122.506 120.400 0.071 0.000 2.249 414 K HA 0.256 4.577 4.320 0.001 0.000 0.280 414 K C 1.094 177.733 176.600 0.065 0.000 1.033 414 K CA -0.184 56.135 56.287 0.054 0.000 0.946 414 K CB 1.588 34.110 32.500 0.037 0.000 1.005 414 K HN 0.138 nan 8.250 nan 0.000 0.469 415 E N 1.843 122.072 120.200 0.048 0.000 2.058 415 E HA -0.219 4.132 4.350 0.001 0.000 0.194 415 E C -0.191 176.431 176.600 0.036 0.000 0.997 415 E CA 1.571 57.998 56.400 0.046 0.000 0.801 415 E CB 0.171 29.888 29.700 0.029 0.000 0.746 415 E HN 0.479 nan 8.360 nan 0.000 0.450 416 E N -0.090 120.124 120.200 0.023 0.000 2.113 416 E HA 0.260 4.611 4.350 0.001 0.000 0.273 416 E C -1.044 175.563 176.600 0.013 0.000 0.924 416 E CA -0.255 56.150 56.400 0.008 0.000 0.764 416 E CB 0.561 30.262 29.700 0.001 0.000 1.104 416 E HN 0.154 nan 8.360 nan 0.000 0.406 417 L N 4.454 125.680 121.223 0.005 0.000 2.361 417 L HA 0.259 4.599 4.340 0.001 0.000 0.278 417 L C 0.237 177.127 176.870 0.034 0.000 1.113 417 L CA 0.067 54.923 54.840 0.026 0.000 0.849 417 L CB 0.536 42.609 42.059 0.025 0.000 1.155 417 L HN 0.434 nan 8.230 nan 0.000 0.452 418 E N 5.424 125.648 120.200 0.040 0.000 2.489 418 E HA 0.294 4.645 4.350 0.001 0.000 0.232 418 E C -2.311 174.322 176.600 0.056 0.000 0.990 418 E CA -1.686 54.739 56.400 0.043 0.000 0.768 418 E CB 1.255 30.970 29.700 0.026 0.000 1.270 418 E HN 0.354 nan 8.360 nan 0.000 0.423 419 P HA 0.174 nan 4.420 nan 0.000 0.271 419 P C -0.261 177.106 177.300 0.112 0.000 1.216 419 P CA -0.117 63.047 63.100 0.106 0.000 0.776 419 P CB 1.332 33.157 31.700 0.209 0.000 0.881 420 R N 0.794 121.359 120.500 0.109 0.000 2.808 420 R HA 0.486 4.827 4.340 0.001 0.000 0.272 420 R C -0.828 175.540 176.300 0.113 0.000 0.995 420 R CA -1.287 54.881 56.100 0.114 0.000 0.917 420 R CB 1.836 32.179 30.300 0.073 0.000 1.217 420 R HN 0.176 nan 8.270 nan 0.000 0.471 421 V N 3.052 122.974 119.914 0.013 0.000 2.446 421 V HA -0.004 4.116 4.120 0.001 0.000 0.276 421 V C 0.480 176.522 176.094 -0.087 0.000 1.030 421 V CA 0.573 62.774 62.300 -0.165 0.000 1.033 421 V CB 0.334 32.029 31.823 -0.213 0.000 0.993 421 V HN 0.670 nan 8.190 nan 0.000 0.477 422 F N 4.909 124.711 119.950 -0.247 0.000 2.374 422 F HA 0.356 4.883 4.527 0.001 0.000 0.291 422 F C 1.119 176.735 175.800 -0.306 0.000 1.084 422 F CA 0.369 58.224 58.000 -0.241 0.000 1.413 422 F CB 0.372 39.273 39.000 -0.165 0.000 1.099 422 F HN 0.460 nan 8.300 nan 0.000 0.534 423 R N 0.686 121.048 120.500 -0.230 0.000 2.604 423 R HA 0.384 4.725 4.340 0.001 0.000 0.270 423 R C -1.957 174.208 176.300 -0.226 0.000 1.052 423 R CA -0.539 55.358 56.100 -0.338 0.000 0.902 423 R CB 1.394 31.460 30.300 -0.389 0.000 1.233 423 R HN 0.166 nan 8.270 nan 0.000 0.455 424 E N 3.011 123.090 120.200 -0.202 0.000 2.343 424 E HA 0.465 4.815 4.350 0.001 0.000 0.286 424 E C -1.693 174.854 176.600 -0.089 0.000 0.915 424 E CA -0.856 55.462 56.400 -0.137 0.000 0.784 424 E CB 1.806 31.411 29.700 -0.158 0.000 1.251 424 E HN 0.460 nan 8.360 nan 0.000 0.407 425 V N 0.964 120.851 119.914 -0.046 0.000 2.656 425 V HA 0.839 4.959 4.120 0.001 0.000 0.307 425 V C -0.397 175.629 176.094 -0.112 0.000 1.051 425 V CA -0.369 61.919 62.300 -0.021 0.000 0.893 425 V CB 1.421 33.313 31.823 0.115 0.000 0.999 425 V HN 0.696 nan 8.190 nan 0.000 0.426 426 T N 0.859 115.348 114.554 -0.108 0.000 2.863 426 T HA 0.738 5.089 4.350 0.001 0.000 0.285 426 T C -0.439 174.171 174.700 -0.150 0.000 1.009 426 T CA -0.756 61.252 62.100 -0.154 0.000 0.989 426 T CB 1.592 70.407 68.868 -0.088 0.000 1.004 426 T HN 0.823 nan 8.240 nan 0.000 0.455 427 V N 3.539 123.334 119.914 -0.199 0.000 2.432 427 V HA 0.267 4.388 4.120 0.001 0.000 0.271 427 V C 0.532 176.621 176.094 -0.009 0.000 1.046 427 V CA -0.706 61.523 62.300 -0.118 0.000 0.945 427 V CB 0.392 32.142 31.823 -0.120 0.000 0.992 427 V HN 0.817 nan 8.190 nan 0.000 0.471 428 K N 3.885 124.298 120.400 0.022 0.000 2.349 428 K HA 0.541 4.861 4.320 0.001 0.000 0.288 428 K C 1.077 177.713 176.600 0.060 0.000 1.058 428 K CA 0.509 56.818 56.287 0.037 0.000 0.953 428 K CB 0.918 33.440 32.500 0.037 0.000 0.997 428 K HN 1.019 nan 8.250 nan 0.000 0.477 429 G N 2.687 111.525 108.800 0.064 0.000 2.336 429 G HA2 -0.141 3.819 3.960 0.001 0.000 0.194 429 G HA3 -0.141 3.819 3.960 0.001 0.000 0.194 429 G C -0.125 174.833 174.900 0.097 0.000 0.999 429 G CA -0.689 44.461 45.100 0.084 0.000 0.669 429 G HN 0.477 nan 8.290 nan 0.000 0.482 430 I N 2.585 123.215 120.570 0.101 0.000 2.502 430 I HA 0.314 4.484 4.170 0.001 0.000 0.276 430 I C -0.983 175.230 176.117 0.160 0.000 1.057 430 I CA -1.078 60.309 61.300 0.145 0.000 1.163 430 I CB 1.068 39.151 38.000 0.139 0.000 1.288 430 I HN 0.102 nan 8.210 nan 0.000 0.479 431 D N 5.076 125.568 120.400 0.153 0.000 2.359 431 D HA 0.268 4.908 4.640 0.001 0.000 0.250 431 D C 1.226 177.610 176.300 0.140 0.000 1.264 431 D CA 0.046 54.097 54.000 0.084 0.000 0.911 431 D CB 1.535 42.333 40.800 -0.004 0.000 1.056 431 D HN 0.598 nan 8.370 nan 0.000 0.499 432 A N 3.229 126.143 122.820 0.157 0.000 1.986 432 A HA -0.215 4.106 4.320 0.001 0.000 0.220 432 A C 2.084 179.739 177.584 0.118 0.000 1.171 432 A CA 1.989 54.151 52.037 0.210 0.000 0.640 432 A CB -0.549 18.537 19.000 0.142 0.000 0.811 432 A HN 0.626 nan 8.150 nan 0.000 0.451 433 S N -0.242 115.466 115.700 0.014 0.000 2.547 433 S HA -0.098 4.372 4.470 0.001 0.000 0.235 433 S C 0.848 175.358 174.600 -0.151 0.000 0.980 433 S CA 1.108 59.284 58.200 -0.041 0.000 0.941 433 S CB -0.299 62.879 63.200 -0.036 0.000 0.763 433 S HN 0.535 nan 8.310 nan 0.000 0.532 434 D N 0.279 120.476 120.400 -0.338 0.000 2.347 434 D HA 0.172 4.812 4.640 0.001 0.000 0.213 434 D C -0.212 175.593 176.300 -0.825 0.000 0.985 434 D CA 0.609 54.224 54.000 -0.641 0.000 0.879 434 D CB 0.057 40.294 40.800 -0.937 0.000 0.919 434 D HN 0.511 nan 8.370 nan 0.000 0.526 435 Y N 0.060 120.338 120.300 -0.037 0.000 2.659 435 Y HA 0.437 4.988 4.550 0.001 0.000 0.333 435 Y C 0.366 176.215 175.900 -0.085 0.000 1.064 435 Y CA -1.273 56.786 58.100 -0.069 0.000 1.141 435 Y CB 1.126 39.550 38.460 -0.060 0.000 1.316 435 Y HN -0.298 nan 8.280 nan 0.000 0.509 436 Q N -0.686 119.109 119.800 -0.007 0.000 2.418 436 Q HA 0.702 5.043 4.340 0.001 0.000 0.282 436 Q C -1.811 174.116 176.000 -0.122 0.000 1.044 436 Q CA -1.036 54.727 55.803 -0.067 0.000 0.813 436 Q CB 2.363 31.035 28.738 -0.109 0.000 1.428 436 Q HN 0.605 nan 8.270 nan 0.000 0.402 437 T N 1.637 116.186 114.554 -0.007 0.000 2.797 437 T HA 0.588 4.938 4.350 0.001 0.000 0.279 437 T C -0.544 174.221 174.700 0.108 0.000 0.991 437 T CA -0.528 61.589 62.100 0.028 0.000 0.979 437 T CB 1.349 70.296 68.868 0.132 0.000 0.943 437 T HN 0.583 nan 8.240 nan 0.000 0.444 438 V N 1.829 121.825 119.914 0.137 0.000 2.823 438 V HA 0.737 4.858 4.120 0.001 0.000 0.312 438 V C -0.931 175.283 176.094 0.200 0.000 1.072 438 V CA -1.055 61.353 62.300 0.179 0.000 0.937 438 V CB 2.022 33.961 31.823 0.192 0.000 1.013 438 V HN 0.861 nan 8.190 nan 0.000 0.430 439 Q N 2.848 122.729 119.800 0.135 0.000 2.331 439 Q HA 0.748 5.089 4.340 0.001 0.000 0.267 439 Q C -1.168 174.701 176.000 -0.218 0.000 1.006 439 Q CA -0.767 54.978 55.803 -0.097 0.000 0.818 439 Q CB 1.920 30.568 28.738 -0.149 0.000 1.276 439 Q HN 0.982 nan 8.270 nan 0.000 0.450 440 I N -0.470 119.869 120.570 -0.386 0.000 3.002 440 I HA 0.673 4.844 4.170 0.001 0.000 0.310 440 I C -1.490 174.240 176.117 -0.645 0.000 1.087 440 I CA -0.819 60.293 61.300 -0.313 0.000 1.017 440 I CB 1.630 39.557 38.000 -0.122 0.000 1.226 440 I HN 0.403 nan 8.210 nan 0.000 0.443 441 F N 3.408 123.315 119.950 -0.071 0.000 2.507 441 F HA 0.602 5.129 4.527 0.001 0.000 0.328 441 F C -0.766 174.984 175.800 -0.083 0.000 1.136 441 F CA -0.520 57.412 58.000 -0.113 0.000 0.930 441 F CB 1.604 40.544 39.000 -0.099 0.000 1.166 441 F HN 0.537 nan 8.300 nan 0.000 0.436 442 Y N 2.265 122.548 120.300 -0.029 0.000 2.468 442 Y HA 0.809 5.360 4.550 0.001 0.000 0.342 442 Y C -3.138 172.808 175.900 0.077 0.000 1.021 442 Y CA -3.844 54.248 58.100 -0.014 0.000 1.079 442 Y CB 1.225 39.578 38.460 -0.179 0.000 1.226 442 Y HN 0.257 nan 8.280 nan 0.000 0.460 443 P HA 0.103 nan 4.420 nan 0.000 0.281 443 P C -0.289 177.116 177.300 0.175 0.000 1.252 443 P CA -0.063 63.095 63.100 0.098 0.000 0.778 443 P CB 2.034 33.802 31.700 0.114 0.000 0.895 444 S N 2.014 117.758 115.700 0.074 0.000 2.632 444 S HA 0.117 4.587 4.470 0.001 0.000 0.267 444 S C 1.580 176.232 174.600 0.087 0.000 1.193 444 S CA -0.452 57.821 58.200 0.121 0.000 1.003 444 S CB 0.285 63.508 63.200 0.038 0.000 1.073 444 S HN 0.485 nan 8.310 nan 0.000 0.553 445 K N 0.376 120.818 120.400 0.071 0.000 2.044 445 K HA -0.193 4.127 4.320 0.001 0.000 0.210 445 K C 1.069 177.684 176.600 0.024 0.000 1.049 445 K CA 2.307 58.623 56.287 0.047 0.000 0.927 445 K CB -0.513 32.009 32.500 0.037 0.000 0.713 445 K HN 0.754 nan 8.250 nan 0.000 0.443 446 D N -1.823 118.578 120.400 0.003 0.000 2.349 446 D HA 0.047 4.687 4.640 0.001 0.000 0.224 446 D C 1.028 177.324 176.300 -0.006 0.000 1.029 446 D CA 0.822 54.816 54.000 -0.011 0.000 0.879 446 D CB 0.369 41.148 40.800 -0.035 0.000 0.906 446 D HN 0.488 nan 8.370 nan 0.000 0.528 447 G N -0.686 108.119 108.800 0.008 0.000 2.213 447 G HA2 -0.268 3.692 3.960 0.001 0.000 0.236 447 G HA3 -0.268 3.692 3.960 0.001 0.000 0.236 447 G C 0.478 175.377 174.900 -0.002 0.000 0.991 447 G CA 0.184 45.290 45.100 0.010 0.000 0.629 447 G HN 0.454 nan 8.290 nan 0.000 0.517 448 T N 3.329 117.873 114.554 -0.017 0.000 2.902 448 T HA 0.401 4.752 4.350 0.001 0.000 0.301 448 T C 0.424 175.111 174.700 -0.020 0.000 1.012 448 T CA 0.240 62.331 62.100 -0.015 0.000 1.151 448 T CB 0.956 69.802 68.868 -0.036 0.000 0.946 448 T HN 0.182 nan 8.240 nan 0.000 0.542 449 K N 3.722 124.116 120.400 -0.009 0.000 2.297 449 K HA 0.332 4.653 4.320 0.001 0.000 0.286 449 K C -0.164 176.450 176.600 0.025 0.000 1.053 449 K CA -0.464 55.803 56.287 -0.034 0.000 0.940 449 K CB 0.659 33.136 32.500 -0.039 0.000 1.019 449 K HN 0.404 nan 8.250 nan 0.000 0.475 450 I N 5.056 125.490 120.570 -0.226 0.000 2.404 450 I HA 0.335 4.505 4.170 0.001 0.000 0.293 450 I C -2.331 173.663 176.117 -0.206 0.000 0.992 450 I CA -3.268 57.937 61.300 -0.159 0.000 1.149 450 I CB 1.287 38.958 38.000 -0.549 0.000 1.315 450 I HN 0.172 nan 8.210 nan 0.000 0.446 451 P HA 0.447 nan 4.420 nan 0.000 0.278 451 P C -0.758 176.403 177.300 -0.232 0.000 1.238 451 P CA -0.520 62.392 63.100 -0.313 0.000 0.794 451 P CB 0.951 32.520 31.700 -0.217 0.000 0.955 452 M N 2.825 122.190 119.600 -0.391 0.000 2.277 452 M HA 0.474 4.954 4.480 0.001 0.000 0.282 452 M C -1.887 174.248 176.300 -0.275 0.000 1.074 452 M CA -0.562 54.631 55.300 -0.178 0.000 0.954 452 M CB 1.137 33.736 32.600 -0.002 0.000 1.672 452 M HN -0.001 nan 8.290 nan 0.000 0.471 453 F N 5.164 125.110 119.950 -0.007 0.000 2.404 453 F HA 0.645 5.172 4.527 0.001 0.000 0.339 453 F C -0.242 175.481 175.800 -0.128 0.000 1.105 453 F CA -0.367 57.613 58.000 -0.034 0.000 1.087 453 F CB 1.214 40.265 39.000 0.084 0.000 1.143 453 F HN 0.378 nan 8.300 nan 0.000 0.491 454 I N 3.659 124.265 120.570 0.059 0.000 2.499 454 I HA 0.433 4.603 4.170 0.001 0.000 0.288 454 I C -1.269 174.819 176.117 -0.049 0.000 1.048 454 I CA -0.898 60.376 61.300 -0.043 0.000 1.062 454 I CB 2.008 39.929 38.000 -0.131 0.000 1.238 454 I HN 0.109 nan 8.210 nan 0.000 0.426 455 V N 5.758 125.609 119.914 -0.105 0.000 2.448 455 V HA 0.577 4.697 4.120 0.001 0.000 0.295 455 V C -0.714 175.394 176.094 0.025 0.000 1.025 455 V CA -0.450 61.760 62.300 -0.150 0.000 0.859 455 V CB 1.400 33.032 31.823 -0.317 0.000 0.988 455 V HN 0.969 nan 8.190 nan 0.000 0.431 456 H N 1.689 120.788 119.070 0.049 0.000 2.948 456 H HA 0.589 5.146 4.556 0.001 0.000 0.315 456 H C -0.771 174.663 175.328 0.177 0.000 1.360 456 H CA -1.180 54.916 56.048 0.080 0.000 1.125 456 H CB 1.244 31.053 29.762 0.077 0.000 1.844 456 H HN 0.460 nan 8.280 nan 0.000 0.529 457 K N 1.438 122.052 120.400 0.357 0.000 2.350 457 K HA 0.160 4.480 4.320 0.001 0.000 0.279 457 K C -0.527 176.202 176.600 0.216 0.000 1.027 457 K CA -0.533 55.897 56.287 0.238 0.000 0.969 457 K CB 0.514 33.085 32.500 0.118 0.000 0.954 457 K HN 0.594 nan 8.250 nan 0.000 0.474 458 K N 1.534 121.959 120.400 0.042 0.000 2.414 458 K HA 0.034 4.354 4.320 0.001 0.000 0.272 458 K C 0.806 177.441 176.600 0.059 0.000 0.993 458 K CA 0.854 57.179 56.287 0.062 0.000 0.964 458 K CB 0.417 32.904 32.500 -0.022 0.000 0.925 458 K HN 0.948 nan 8.250 nan 0.000 0.487 459 G N 1.757 110.604 108.800 0.077 0.000 2.184 459 G HA2 -0.281 3.680 3.960 0.001 0.000 0.264 459 G HA3 -0.281 3.680 3.960 0.001 0.000 0.264 459 G C 0.311 175.216 174.900 0.009 0.000 0.975 459 G CA 0.489 45.608 45.100 0.032 0.000 0.642 459 G HN 0.735 nan 8.290 nan 0.000 0.536 460 I N -1.593 118.971 120.570 -0.009 0.000 2.754 460 I HA 0.533 4.704 4.170 0.001 0.000 0.285 460 I C 0.419 176.495 176.117 -0.067 0.000 1.166 460 I CA -0.372 60.881 61.300 -0.079 0.000 1.417 460 I CB 0.508 38.329 38.000 -0.299 0.000 1.382 460 I HN -0.031 nan 8.210 nan 0.000 0.588 461 K N 5.775 126.192 120.400 0.028 0.000 2.201 461 K HA 0.421 4.742 4.320 0.001 0.000 0.278 461 K C -0.576 176.050 176.600 0.044 0.000 1.027 461 K CA -0.544 55.752 56.287 0.015 0.000 0.909 461 K CB 1.524 34.039 32.500 0.024 0.000 1.062 461 K HN 0.594 nan 8.250 nan 0.000 0.465 462 L N 4.501 125.665 121.223 -0.098 0.000 2.437 462 L HA 0.030 4.371 4.340 0.001 0.000 0.243 462 L C 0.265 177.069 176.870 -0.110 0.000 1.346 462 L CA -0.047 54.684 54.840 -0.180 0.000 1.233 462 L CB -0.721 41.119 42.059 -0.366 0.000 1.436 462 L HN 0.698 nan 8.230 nan 0.000 0.416 463 D N -0.891 119.475 120.400 -0.058 0.000 2.363 463 D HA 0.095 4.736 4.640 0.001 0.000 0.214 463 D C 1.356 177.592 176.300 -0.108 0.000 1.093 463 D CA 0.258 54.205 54.000 -0.088 0.000 0.837 463 D CB 0.616 41.362 40.800 -0.089 0.000 0.948 463 D HN 0.355 nan 8.370 nan 0.000 0.507 464 G N 0.644 109.390 108.800 -0.091 0.000 2.162 464 G HA2 -0.364 3.596 3.960 0.001 0.000 0.260 464 G HA3 -0.364 3.596 3.960 0.001 0.000 0.260 464 G C 1.100 175.924 174.900 -0.126 0.000 0.976 464 G CA 0.821 45.880 45.100 -0.067 0.000 0.655 464 G HN 0.711 nan 8.290 nan 0.000 0.533 465 S N -0.203 115.307 115.700 -0.318 0.000 2.558 465 S HA 0.184 4.655 4.470 0.001 0.000 0.217 465 S C 0.798 175.181 174.600 -0.362 0.000 0.975 465 S CA 0.183 58.173 58.200 -0.350 0.000 0.912 465 S CB -0.051 62.914 63.200 -0.391 0.000 0.776 465 S HN 0.633 nan 8.310 nan 0.000 0.526 466 H N 3.146 122.233 119.070 0.029 0.000 2.502 466 H HA 0.427 4.984 4.556 0.001 0.000 0.327 466 H C -2.739 172.653 175.328 0.107 0.000 1.099 466 H CA -2.230 53.847 56.048 0.048 0.000 1.323 466 H CB 0.580 30.370 29.762 0.047 0.000 1.450 466 H HN 0.259 nan 8.280 nan 0.000 0.502 467 P HA 0.256 nan 4.420 nan 0.000 0.275 467 P C -0.814 176.764 177.300 0.463 0.000 1.228 467 P CA -0.343 62.951 63.100 0.323 0.000 0.786 467 P CB 1.167 33.071 31.700 0.339 0.000 0.927 468 A N 2.754 125.874 122.820 0.501 0.000 2.413 468 A HA 0.706 5.027 4.320 0.001 0.000 0.307 468 A C -1.696 176.179 177.584 0.486 0.000 1.087 468 A CA -0.604 51.739 52.037 0.511 0.000 0.750 468 A CB 1.207 20.392 19.000 0.308 0.000 1.296 468 A HN 0.485 nan 8.150 nan 0.000 0.423 469 F N 2.209 122.314 119.950 0.257 0.000 2.513 469 F HA 0.565 5.092 4.527 0.001 0.000 0.358 469 F C -1.113 174.759 175.800 0.121 0.000 1.118 469 F CA -0.828 57.186 58.000 0.024 0.000 1.037 469 F CB 1.406 40.218 39.000 -0.313 0.000 1.276 469 F HN 0.474 nan 8.300 nan 0.000 0.446 470 L N 7.945 129.114 121.223 -0.089 0.000 2.272 470 L HA 0.459 4.800 4.340 0.001 0.000 0.289 470 L C -1.843 175.080 176.870 0.089 0.000 1.032 470 L CA -0.563 54.283 54.840 0.011 0.000 0.810 470 L CB 0.703 42.692 42.059 -0.115 0.000 1.205 470 L HN 0.596 nan 8.230 nan 0.000 0.422 471 Y N 4.270 124.673 120.300 0.173 0.000 2.446 471 Y HA 0.826 5.377 4.550 0.001 0.000 0.338 471 Y C 0.108 176.232 175.900 0.374 0.000 1.055 471 Y CA -0.085 58.156 58.100 0.236 0.000 1.101 471 Y CB 1.966 40.583 38.460 0.262 0.000 1.221 471 Y HN 0.739 nan 8.280 nan 0.000 0.460 472 G N 3.182 111.635 108.800 -0.579 0.000 2.677 472 G HA2 0.297 4.258 3.960 0.001 0.000 0.291 472 G HA3 0.297 4.258 3.960 0.001 0.000 0.291 472 G C -2.023 172.458 174.900 -0.698 0.000 1.435 472 G CA -0.436 44.359 45.100 -0.507 0.000 0.826 472 G HN 0.648 nan 8.290 nan 0.000 0.491 473 Y N 0.425 120.451 120.300 -0.457 0.000 3.183 473 Y HA 0.470 5.020 4.550 0.001 0.000 0.200 473 Y C 1.536 177.288 175.900 -0.246 0.000 0.912 473 Y CA 1.546 59.455 58.100 -0.318 0.000 1.642 473 Y CB 0.498 38.886 38.460 -0.120 0.000 1.447 473 Y HN 1.708 nan 8.280 nan 0.000 0.421 474 G N 1.153 109.926 108.800 -0.045 0.000 2.531 474 G HA2 0.340 4.301 3.960 0.001 0.000 0.283 474 G HA3 0.340 4.301 3.960 0.001 0.000 0.283 474 G C 0.029 174.770 174.900 -0.266 0.000 1.068 474 G CA 0.497 45.500 45.100 -0.162 0.000 1.273 474 G HN 1.397 nan 8.290 nan 0.000 0.532 475 G N -0.963 107.796 108.800 -0.068 0.000 2.321 475 G HA2 0.601 4.562 3.960 0.001 0.000 0.298 475 G HA3 0.601 4.562 3.960 0.001 0.000 0.298 475 G C 0.025 175.010 174.900 0.142 0.000 1.385 475 G CA 0.133 45.145 45.100 -0.147 0.000 0.856 475 G HN 1.505 nan 8.290 nan 0.000 0.584 476 F N -0.316 119.609 119.950 -0.042 0.000 3.100 476 F HA -0.251 4.277 4.527 0.001 0.000 0.284 476 F C 1.348 176.963 175.800 -0.308 0.000 0.875 476 F CA 1.448 59.360 58.000 -0.146 0.000 1.039 476 F CB -1.466 37.502 39.000 -0.054 0.000 1.111 476 F HN 1.197 nan 8.300 nan 0.000 0.575 477 N N -0.570 117.896 118.700 -0.390 0.000 2.741 477 N HA -0.210 4.531 4.740 0.001 0.000 0.251 477 N C -0.483 175.012 175.510 -0.024 0.000 1.112 477 N CA 1.007 53.890 53.050 -0.278 0.000 0.750 477 N CB -0.652 37.592 38.487 -0.404 0.000 1.119 477 N HN 0.373 nan 8.380 nan 0.000 0.561 478 I N 0.796 121.415 120.570 0.082 0.000 2.371 478 I HA 0.175 4.345 4.170 0.001 0.000 0.290 478 I C 0.475 176.643 176.117 0.086 0.000 1.028 478 I CA -0.129 61.203 61.300 0.054 0.000 1.345 478 I CB 1.174 39.162 38.000 -0.020 0.000 1.407 478 I HN 0.059 nan 8.210 nan 0.000 0.501 479 S N 6.861 122.586 115.700 0.042 0.000 2.438 479 S HA 0.465 4.935 4.470 0.001 0.000 0.293 479 S C 0.173 174.815 174.600 0.070 0.000 1.141 479 S CA -0.554 57.682 58.200 0.060 0.000 1.080 479 S CB 1.013 64.217 63.200 0.007 0.000 0.978 479 S HN 0.250 nan 8.310 nan 0.000 0.479 480 I N 4.952 125.605 120.570 0.138 0.000 2.278 480 I HA 0.161 4.332 4.170 0.001 0.000 0.296 480 I C 1.138 177.379 176.117 0.207 0.000 1.121 480 I CA -0.142 61.269 61.300 0.185 0.000 1.267 480 I CB -0.923 37.259 38.000 0.304 0.000 1.447 480 I HN 0.576 nan 8.210 nan 0.000 0.509 481 T N 4.290 118.906 114.554 0.104 0.000 2.936 481 T HA 0.588 4.939 4.350 0.001 0.000 0.282 481 T C -2.631 171.958 174.700 -0.184 0.000 1.003 481 T CA -2.232 59.897 62.100 0.048 0.000 1.005 481 T CB 1.422 70.289 68.868 -0.000 0.000 1.097 481 T HN 0.154 nan 8.240 nan 0.000 0.532 482 P HA 0.176 nan 4.420 nan 0.000 0.264 482 P C -0.549 176.298 177.300 -0.756 0.000 1.183 482 P CA 0.001 62.340 63.100 -1.269 0.000 0.763 482 P CB 0.190 31.090 31.700 -1.333 0.000 0.807 483 N N 1.804 120.086 118.700 -0.696 0.000 2.396 483 N HA 0.142 4.883 4.740 0.001 0.000 0.275 483 N C -1.824 173.633 175.510 -0.089 0.000 1.218 483 N CA -0.736 52.154 53.050 -0.267 0.000 0.812 483 N CB 1.017 39.423 38.487 -0.135 0.000 1.592 483 N HN 0.181 nan 8.380 nan 0.000 0.480 484 Y N 0.846 121.089 120.300 -0.096 0.000 2.365 484 Y HA 0.413 4.964 4.550 0.001 0.000 0.340 484 Y C -0.260 175.678 175.900 0.063 0.000 1.016 484 Y CA 0.048 58.148 58.100 0.000 0.000 1.196 484 Y CB 0.810 39.275 38.460 0.008 0.000 1.167 484 Y HN 0.627 nan 8.280 nan 0.000 0.509 485 S N 5.585 121.020 115.700 -0.442 0.000 2.774 485 S HA 0.325 4.796 4.470 0.001 0.000 0.297 485 S C 0.184 174.494 174.600 -0.484 0.000 1.143 485 S CA -0.733 57.276 58.200 -0.318 0.000 1.090 485 S CB 0.640 63.752 63.200 -0.147 0.000 1.019 485 S HN 0.629 nan 8.310 nan 0.000 0.482 486 V N 4.911 124.611 119.914 -0.356 0.000 2.407 486 V HA -0.145 3.975 4.120 0.001 0.000 0.248 486 V C 2.739 178.733 176.094 -0.167 0.000 1.055 486 V CA 2.454 64.626 62.300 -0.214 0.000 1.049 486 V CB -1.044 30.863 31.823 0.141 0.000 0.662 486 V HN 0.980 nan 8.190 nan 0.000 0.455 487 S N 0.846 116.474 115.700 -0.121 0.000 2.359 487 S HA -0.267 4.203 4.470 0.001 0.000 0.224 487 S C 2.063 176.516 174.600 -0.245 0.000 1.035 487 S CA 1.556 59.720 58.200 -0.060 0.000 1.018 487 S CB -0.513 62.741 63.200 0.091 0.000 0.876 487 S HN 0.590 nan 8.310 nan 0.000 0.448 488 R N 0.830 121.187 120.500 -0.238 0.000 2.115 488 R HA 0.227 4.568 4.340 0.001 0.000 0.230 488 R C 2.372 178.542 176.300 -0.216 0.000 1.111 488 R CA 1.185 57.118 56.100 -0.278 0.000 0.976 488 R CB -0.568 29.617 30.300 -0.191 0.000 0.870 488 R HN 0.402 nan 8.270 nan 0.000 0.445 489 L N 0.408 121.476 121.223 -0.258 0.000 2.201 489 L HA -0.125 4.216 4.340 0.001 0.000 0.212 489 L C 2.168 178.887 176.870 -0.253 0.000 1.105 489 L CA 1.005 55.665 54.840 -0.300 0.000 0.775 489 L CB -0.229 41.626 42.059 -0.340 0.000 0.913 489 L HN 0.201 nan 8.230 nan 0.000 0.440 490 I N -1.066 119.384 120.570 -0.200 0.000 2.394 490 I HA -0.300 3.870 4.170 0.001 0.000 0.251 490 I C 2.390 178.437 176.117 -0.118 0.000 1.136 490 I CA 1.077 62.298 61.300 -0.132 0.000 1.425 490 I CB -0.194 37.644 38.000 -0.271 0.000 1.079 490 I HN 0.181 nan 8.210 nan 0.000 0.425 491 F N 1.230 120.977 119.950 -0.338 0.000 2.146 491 F HA -0.164 4.363 4.527 0.001 0.000 0.298 491 F C 2.219 177.928 175.800 -0.151 0.000 1.096 491 F CA 1.481 59.315 58.000 -0.276 0.000 1.275 491 F CB -0.412 38.311 39.000 -0.461 0.000 1.008 491 F HN -0.232 nan 8.300 nan 0.000 0.480 492 V N 0.834 120.575 119.914 -0.289 0.000 2.270 492 V HA -0.251 3.869 4.120 0.001 0.000 0.245 492 V C 2.547 178.453 176.094 -0.314 0.000 1.043 492 V CA 2.273 64.372 62.300 -0.335 0.000 1.014 492 V CB -0.745 30.901 31.823 -0.294 0.000 0.645 492 V HN 0.274 nan 8.190 nan 0.000 0.447 493 R N -0.329 119.974 120.500 -0.328 0.000 2.062 493 R HA -0.083 4.258 4.340 0.001 0.000 0.229 493 R C 2.143 178.070 176.300 -0.622 0.000 1.128 493 R CA 1.754 57.629 56.100 -0.376 0.000 0.960 493 R CB -0.600 29.465 30.300 -0.392 0.000 0.855 493 R HN 0.622 nan 8.270 nan 0.000 0.432 494 H N -1.188 117.608 119.070 -0.457 0.000 2.575 494 H HA 0.247 4.804 4.556 0.001 0.000 0.267 494 H C 0.768 175.694 175.328 -0.670 0.000 0.966 494 H CA 0.797 56.359 56.048 -0.809 0.000 1.165 494 H CB 0.518 29.423 29.762 -1.429 0.000 1.433 494 H HN 0.246 nan 8.280 nan 0.000 0.544 495 M N -1.049 118.349 119.600 -0.336 0.000 2.340 495 M HA 0.229 4.709 4.480 0.001 0.000 0.345 495 M C 0.924 177.039 176.300 -0.308 0.000 1.008 495 M CA 0.064 55.238 55.300 -0.210 0.000 0.987 495 M CB 1.640 34.222 32.600 -0.029 0.000 1.598 495 M HN 0.189 nan 8.290 nan 0.000 0.569 496 G N 1.498 110.103 108.800 -0.324 0.000 2.283 496 G HA2 -0.210 3.751 3.960 0.001 0.000 0.280 496 G HA3 -0.210 3.751 3.960 0.001 0.000 0.280 496 G C 0.260 174.995 174.900 -0.275 0.000 1.029 496 G CA 0.138 45.103 45.100 -0.225 0.000 0.840 496 G HN 0.611 nan 8.290 nan 0.000 0.505 497 G N -1.882 106.537 108.800 -0.634 0.000 2.547 497 G HA2 0.671 4.632 3.960 0.001 0.000 0.291 497 G HA3 0.671 4.632 3.960 0.001 0.000 0.291 497 G C -0.350 174.466 174.900 -0.139 0.000 1.211 497 G CA -0.134 44.562 45.100 -0.673 0.000 0.950 497 G HN 0.903 nan 8.290 nan 0.000 0.504 498 V N 0.681 120.712 119.914 0.196 0.000 2.448 498 V HA 0.397 4.517 4.120 0.001 0.000 0.295 498 V C -0.369 175.952 176.094 0.378 0.000 1.025 498 V CA -0.694 61.755 62.300 0.248 0.000 0.859 498 V CB 1.342 33.309 31.823 0.240 0.000 0.988 498 V HN 0.662 nan 8.190 nan 0.000 0.431 499 L N 4.805 126.179 121.223 0.252 0.000 2.325 499 L HA 0.938 5.279 4.340 0.001 0.000 0.279 499 L C 0.025 176.965 176.870 0.115 0.000 1.054 499 L CA 0.076 55.058 54.840 0.237 0.000 0.804 499 L CB 1.317 43.429 42.059 0.088 0.000 1.200 499 L HN 0.807 nan 8.230 nan 0.000 0.436 500 A N 4.385 127.307 122.820 0.169 0.000 2.455 500 A HA 0.786 5.106 4.320 0.001 0.000 0.300 500 A C -1.728 175.991 177.584 0.224 0.000 1.040 500 A CA -0.535 51.566 52.037 0.107 0.000 0.697 500 A CB 1.793 20.817 19.000 0.040 0.000 1.265 500 A HN 0.522 nan 8.150 nan 0.000 0.407 501 V N 1.503 121.574 119.914 0.262 0.000 2.482 501 V HA 0.684 4.805 4.120 0.001 0.000 0.295 501 V C 0.271 176.579 176.094 0.357 0.000 1.026 501 V CA -0.278 62.273 62.300 0.419 0.000 0.856 501 V CB 1.487 33.638 31.823 0.548 0.000 1.001 501 V HN 1.368 nan 8.190 nan 0.000 0.424 502 A N 3.472 126.520 122.820 0.380 0.000 2.260 502 A HA 0.581 4.902 4.320 0.001 0.000 0.314 502 A C 0.134 177.928 177.584 0.350 0.000 1.257 502 A CA -0.545 51.706 52.037 0.357 0.000 0.871 502 A CB 0.010 19.264 19.000 0.422 0.000 1.166 502 A HN 0.888 nan 8.150 nan 0.000 0.522 503 N N 2.432 121.303 118.700 0.285 0.000 3.303 503 N HA 0.247 4.987 4.740 0.001 0.000 0.304 503 N C 0.333 176.118 175.510 0.459 0.000 1.302 503 N CA -0.192 53.045 53.050 0.312 0.000 1.213 503 N CB -0.145 38.451 38.487 0.182 0.000 1.481 503 N HN 0.798 nan 8.380 nan 0.000 0.546 504 I N -2.383 118.388 120.570 0.335 0.000 3.060 504 I HA 0.136 4.307 4.170 0.001 0.000 0.285 504 I C 0.603 176.710 176.117 -0.017 0.000 1.190 504 I CA -0.732 60.677 61.300 0.181 0.000 1.363 504 I CB 0.742 38.803 38.000 0.101 0.000 1.396 504 I HN 0.108 nan 8.210 nan 0.000 0.607 505 R N 2.153 122.365 120.500 -0.480 0.000 2.811 505 R HA 0.277 4.618 4.340 0.001 0.000 0.265 505 R C 1.149 177.168 176.300 -0.468 0.000 1.026 505 R CA 1.116 56.669 56.100 -0.912 0.000 1.142 505 R CB 0.133 29.851 30.300 -0.971 0.000 1.027 505 R HN 1.085 nan 8.270 nan 0.000 0.465 506 G N 0.079 108.656 108.800 -0.372 0.000 2.308 506 G HA2 -0.226 3.734 3.960 0.001 0.000 0.221 506 G HA3 -0.226 3.734 3.960 0.001 0.000 0.221 506 G C 0.509 175.453 174.900 0.074 0.000 1.032 506 G CA -0.263 44.739 45.100 -0.164 0.000 0.623 506 G HN 0.897 nan 8.290 nan 0.000 0.506 507 G N -0.314 108.571 108.800 0.143 0.000 2.588 507 G HA2 0.553 4.514 3.960 0.001 0.000 0.278 507 G HA3 0.553 4.514 3.960 0.001 0.000 0.278 507 G C 1.035 176.163 174.900 0.380 0.000 1.307 507 G CA 0.274 45.550 45.100 0.294 0.000 1.016 507 G HN 1.338 nan 8.290 nan 0.000 0.503 508 G N -1.456 107.490 108.800 0.244 0.000 3.502 508 G HA2 0.274 4.235 3.960 0.001 0.000 0.267 508 G HA3 0.274 4.235 3.960 0.001 0.000 0.267 508 G C 0.944 175.875 174.900 0.051 0.000 1.090 508 G CA 0.124 45.331 45.100 0.178 0.000 0.795 508 G HN 0.531 nan 8.290 nan 0.000 0.535 509 E N 0.156 120.317 120.200 -0.065 0.000 2.118 509 E HA -0.129 4.221 4.350 0.001 0.000 0.195 509 E C 0.226 176.284 176.600 -0.902 0.000 0.992 509 E CA 1.123 57.200 56.400 -0.538 0.000 0.804 509 E CB -0.151 29.126 29.700 -0.706 0.000 0.741 509 E HN 0.574 nan 8.360 nan 0.000 0.458 510 Y N -0.290 119.741 120.300 -0.448 0.000 2.722 510 Y HA 0.434 4.985 4.550 0.001 0.000 0.314 510 Y C 0.816 176.755 175.900 0.064 0.000 1.008 510 Y CA -0.094 57.845 58.100 -0.268 0.000 1.294 510 Y CB 0.678 38.809 38.460 -0.549 0.000 1.231 510 Y HN 0.116 nan 8.280 nan 0.000 0.558 511 G N 0.602 109.520 108.800 0.195 0.000 2.698 511 G HA2 -0.380 3.581 3.960 0.001 0.000 0.233 511 G HA3 -0.380 3.581 3.960 0.001 0.000 0.233 511 G C 0.751 175.833 174.900 0.304 0.000 1.352 511 G CA 0.291 45.557 45.100 0.276 0.000 0.879 511 G HN 0.341 nan 8.290 nan 0.000 0.567 512 E N -0.406 119.928 120.200 0.224 0.000 2.204 512 E HA -0.088 4.262 4.350 0.001 0.000 0.195 512 E C 2.769 179.474 176.600 0.176 0.000 0.990 512 E CA 2.774 59.292 56.400 0.197 0.000 0.821 512 E CB -0.497 29.239 29.700 0.060 0.000 0.750 512 E HN 0.957 nan 8.360 nan 0.000 0.477 513 T N -2.582 112.078 114.554 0.176 0.000 2.867 513 T HA -0.154 4.196 4.350 0.001 0.000 0.268 513 T C 1.834 176.666 174.700 0.220 0.000 1.057 513 T CA 0.913 63.102 62.100 0.148 0.000 1.136 513 T CB -0.807 68.148 68.868 0.145 0.000 0.874 513 T HN 0.410 nan 8.240 nan 0.000 0.466 514 W N 1.584 122.938 121.300 0.090 0.000 2.409 514 W HA -0.119 4.542 4.660 0.001 0.000 0.299 514 W C 2.337 178.900 176.519 0.073 0.000 1.203 514 W CA 1.261 58.664 57.345 0.098 0.000 1.298 514 W CB -0.402 29.163 29.460 0.174 0.000 1.127 514 W HN 0.504 nan 8.180 nan 0.000 0.528 515 H N 0.719 119.881 119.070 0.154 0.000 2.267 515 H HA -0.175 4.381 4.556 0.001 0.000 0.297 515 H C 2.141 177.386 175.328 -0.138 0.000 1.080 515 H CA 1.864 57.906 56.048 -0.010 0.000 1.278 515 H CB -0.151 29.627 29.762 0.026 0.000 1.365 515 H HN 0.012 nan 8.280 nan 0.000 0.489 516 K N -0.089 120.156 120.400 -0.259 0.000 2.281 516 K HA -0.085 4.236 4.320 0.001 0.000 0.203 516 K C 2.125 178.532 176.600 -0.321 0.000 1.046 516 K CA 0.756 56.827 56.287 -0.360 0.000 0.938 516 K CB -0.099 32.272 32.500 -0.216 0.000 0.737 516 K HN 0.401 nan 8.250 nan 0.000 0.458 517 G N 0.346 108.975 108.800 -0.284 0.000 2.679 517 G HA2 -0.081 3.879 3.960 0.001 0.000 0.212 517 G HA3 -0.081 3.879 3.960 0.001 0.000 0.212 517 G C 0.838 175.483 174.900 -0.424 0.000 1.137 517 G CA 0.557 45.450 45.100 -0.345 0.000 0.787 517 G HN 0.368 nan 8.290 nan 0.000 0.534 518 G N 0.197 108.738 108.800 -0.432 0.000 4.379 518 G HA2 0.506 4.467 3.960 0.001 0.000 0.290 518 G HA3 0.506 4.467 3.960 0.001 0.000 0.290 518 G C -0.028 174.590 174.900 -0.470 0.000 1.065 518 G CA -0.252 44.569 45.100 -0.464 0.000 0.833 518 G HN 0.497 nan 8.290 nan 0.000 0.512 519 I N -3.594 116.693 120.570 -0.472 0.000 3.174 519 I HA 0.729 4.899 4.170 0.001 0.000 0.313 519 I C 0.845 176.676 176.117 -0.477 0.000 1.155 519 I CA -1.296 59.725 61.300 -0.465 0.000 0.977 519 I CB 1.467 39.149 38.000 -0.530 0.000 1.248 519 I HN 0.074 nan 8.210 nan 0.000 0.453 520 L N 0.647 121.619 121.223 -0.419 0.000 5.891 520 L HA -0.399 3.942 4.340 0.001 0.000 0.053 520 L C 1.977 178.093 176.870 -1.258 0.000 2.528 520 L CA 1.389 55.823 54.840 -0.676 0.000 1.612 520 L CB -1.845 39.845 42.059 -0.615 0.000 2.817 520 L HN 0.972 nan 8.230 nan 0.000 0.990 521 A N -0.365 121.321 122.820 -1.889 0.000 2.019 521 A HA -0.101 4.219 4.320 0.001 0.000 0.219 521 A C 1.401 178.496 177.584 -0.814 0.000 1.164 521 A CA 2.107 53.058 52.037 -1.810 0.000 0.644 521 A CB -0.587 17.765 19.000 -1.080 0.000 0.805 521 A HN 0.671 nan 8.150 nan 0.000 0.449 522 N N -0.763 117.565 118.700 -0.619 0.000 2.251 522 N HA 0.026 4.766 4.740 0.001 0.000 0.217 522 N C 1.050 176.292 175.510 -0.447 0.000 1.124 522 N CA 0.242 53.032 53.050 -0.434 0.000 0.843 522 N CB 0.609 38.874 38.487 -0.369 0.000 1.024 522 N HN 0.393 nan 8.380 nan 0.000 0.501 523 K N 1.579 121.690 120.400 -0.482 0.000 2.152 523 K HA -0.159 4.161 4.320 0.001 0.000 0.206 523 K C 1.911 178.059 176.600 -0.754 0.000 1.048 523 K CA 1.187 57.109 56.287 -0.609 0.000 0.933 523 K CB -0.000 32.148 32.500 -0.587 0.000 0.721 523 K HN -0.041 nan 8.250 nan 0.000 0.447 524 Q N 0.712 120.257 119.800 -0.425 0.000 2.234 524 Q HA -0.117 4.223 4.340 0.001 0.000 0.206 524 Q C 1.309 177.150 176.000 -0.265 0.000 0.980 524 Q CA 1.653 57.342 55.803 -0.189 0.000 0.869 524 Q CB -0.367 28.378 28.738 0.011 0.000 0.912 524 Q HN 0.373 nan 8.270 nan 0.000 0.436 525 N N -0.732 117.768 118.700 -0.333 0.000 2.149 525 N HA -0.161 4.579 4.740 0.001 0.000 0.188 525 N C 1.579 176.886 175.510 -0.339 0.000 1.019 525 N CA 1.514 54.388 53.050 -0.292 0.000 0.857 525 N CB -0.738 37.550 38.487 -0.331 0.000 0.997 525 N HN 0.364 nan 8.380 nan 0.000 0.426 526 C N 0.276 119.241 119.300 -0.559 0.000 2.413 526 C HA -0.087 4.373 4.460 0.001 0.000 0.276 526 C C 2.457 177.228 174.990 -0.365 0.000 1.236 526 C CA 0.249 58.924 59.018 -0.571 0.000 1.735 526 C CB -1.537 25.670 27.740 -0.888 0.000 2.031 526 C HN 0.291 nan 8.230 nan 0.000 0.474 527 F N 1.633 121.500 119.950 -0.139 0.000 2.134 527 F HA -0.087 4.441 4.527 0.001 0.000 0.299 527 F C 2.199 178.034 175.800 0.059 0.000 1.097 527 F CA 1.344 59.320 58.000 -0.040 0.000 1.264 527 F CB -1.331 37.617 39.000 -0.086 0.000 1.001 527 F HN 0.214 nan 8.300 nan 0.000 0.479 528 D N 0.398 120.891 120.400 0.155 0.000 2.104 528 D HA -0.163 4.477 4.640 0.001 0.000 0.194 528 D C 1.844 178.235 176.300 0.151 0.000 0.994 528 D CA 1.567 55.642 54.000 0.125 0.000 0.830 528 D CB -0.577 40.254 40.800 0.050 0.000 0.959 528 D HN 0.180 nan 8.370 nan 0.000 0.452 529 D N -0.256 120.212 120.400 0.113 0.000 2.116 529 D HA -0.162 4.478 4.640 0.001 0.000 0.193 529 D C 1.835 178.347 176.300 0.352 0.000 0.998 529 D CA 0.558 54.680 54.000 0.202 0.000 0.836 529 D CB -0.466 40.384 40.800 0.084 0.000 0.951 529 D HN 0.134 nan 8.370 nan 0.000 0.449 530 F N 1.318 121.339 119.950 0.117 0.000 2.146 530 F HA -0.112 4.415 4.527 0.001 0.000 0.298 530 F C 2.425 178.313 175.800 0.147 0.000 1.096 530 F CA 1.258 59.329 58.000 0.118 0.000 1.275 530 F CB -0.349 38.693 39.000 0.070 0.000 1.008 530 F HN -0.052 nan 8.300 nan 0.000 0.480 531 Q N -1.264 118.692 119.800 0.260 0.000 2.124 531 Q HA -0.233 4.107 4.340 0.001 0.000 0.202 531 Q C 2.401 178.422 176.000 0.035 0.000 0.977 531 Q CA 1.885 57.788 55.803 0.168 0.000 0.850 531 Q CB -0.580 28.270 28.738 0.187 0.000 0.901 531 Q HN 0.412 nan 8.270 nan 0.000 0.429 532 C N -0.033 119.316 119.300 0.081 0.000 2.432 532 C HA -0.015 4.445 4.460 0.001 0.000 0.280 532 C C 2.766 177.603 174.990 -0.255 0.000 1.353 532 C CA 0.495 59.542 59.018 0.050 0.000 1.766 532 C CB -1.088 26.810 27.740 0.263 0.000 1.924 532 C HN 0.607 nan 8.230 nan 0.000 0.509 533 A N 0.750 123.316 122.820 -0.422 0.000 1.898 533 A HA 0.095 4.415 4.320 0.001 0.000 0.216 533 A C 2.382 179.738 177.584 -0.380 0.000 1.181 533 A CA 1.929 53.498 52.037 -0.780 0.000 0.620 533 A CB -0.889 17.825 19.000 -0.477 0.000 0.819 533 A HN 0.531 nan 8.150 nan 0.000 0.442 534 A N 0.015 122.671 122.820 -0.273 0.000 1.883 534 A HA -0.215 4.105 4.320 0.001 0.000 0.217 534 A C 1.907 179.426 177.584 -0.108 0.000 1.186 534 A CA 1.752 53.699 52.037 -0.150 0.000 0.624 534 A CB -0.662 18.295 19.000 -0.072 0.000 0.822 534 A HN 0.634 nan 8.150 nan 0.000 0.444 535 E N -1.762 118.373 120.200 -0.109 0.000 2.118 535 E HA -0.242 4.108 4.350 0.001 0.000 0.195 535 E C 1.874 178.454 176.600 -0.033 0.000 0.992 535 E CA 1.576 57.934 56.400 -0.070 0.000 0.804 535 E CB -0.336 29.339 29.700 -0.042 0.000 0.741 535 E HN 0.808 nan 8.360 nan 0.000 0.458 536 Y N 1.416 121.612 120.300 -0.173 0.000 2.114 536 Y HA -0.196 4.354 4.550 0.001 0.000 0.284 536 Y C 1.996 177.882 175.900 -0.024 0.000 1.143 536 Y CA 1.418 59.446 58.100 -0.121 0.000 1.135 536 Y CB -0.217 38.084 38.460 -0.265 0.000 0.980 536 Y HN -0.071 nan 8.280 nan 0.000 0.499 537 L N -0.343 120.960 121.223 0.133 0.000 2.127 537 L HA -0.251 4.090 4.340 0.001 0.000 0.211 537 L C 2.332 179.270 176.870 0.112 0.000 1.089 537 L CA 1.452 56.393 54.840 0.167 0.000 0.757 537 L CB -0.544 41.574 42.059 0.098 0.000 0.899 537 L HN 0.326 nan 8.230 nan 0.000 0.434 538 I N -0.379 120.199 120.570 0.013 0.000 2.193 538 I HA -0.269 3.902 4.170 0.001 0.000 0.240 538 I C 2.700 178.783 176.117 -0.056 0.000 1.084 538 I CA 1.185 62.476 61.300 -0.015 0.000 1.365 538 I CB -0.272 37.701 38.000 -0.045 0.000 1.064 538 I HN 0.177 nan 8.210 nan 0.000 0.410 539 K N 0.977 121.320 120.400 -0.095 0.000 2.032 539 K HA -0.198 4.122 4.320 0.001 0.000 0.209 539 K C 1.711 178.212 176.600 -0.164 0.000 1.048 539 K CA 1.475 57.689 56.287 -0.122 0.000 0.927 539 K CB 0.050 32.476 32.500 -0.124 0.000 0.712 539 K HN 0.169 nan 8.250 nan 0.000 0.441 540 E N -0.573 119.476 120.200 -0.252 0.000 2.516 540 E HA -0.021 4.329 4.350 0.001 0.000 0.199 540 E C 0.956 177.407 176.600 -0.248 0.000 1.069 540 E CA 0.861 57.098 56.400 -0.273 0.000 0.876 540 E CB 0.289 29.744 29.700 -0.408 0.000 0.843 540 E HN 0.643 nan 8.360 nan 0.000 0.530 541 G N 0.761 109.468 108.800 -0.155 0.000 2.143 541 G HA2 -0.352 3.608 3.960 0.001 0.000 0.249 541 G HA3 -0.352 3.608 3.960 0.001 0.000 0.249 541 G C 0.688 175.511 174.900 -0.127 0.000 0.981 541 G CA 0.503 45.514 45.100 -0.147 0.000 0.665 541 G HN 0.338 nan 8.290 nan 0.000 0.528 542 Y N 0.007 120.309 120.300 0.003 0.000 2.263 542 Y HA 0.321 4.872 4.550 0.001 0.000 0.292 542 Y C 2.132 178.120 175.900 0.145 0.000 1.130 542 Y CA 2.066 60.206 58.100 0.067 0.000 1.179 542 Y CB 0.210 38.700 38.460 0.049 0.000 0.998 542 Y HN 0.434 nan 8.280 nan 0.000 0.532 543 T N -2.452 112.238 114.554 0.225 0.000 2.626 543 T HA 0.614 4.965 4.350 0.001 0.000 0.299 543 T C -1.282 173.461 174.700 0.072 0.000 1.181 543 T CA -0.636 61.560 62.100 0.161 0.000 1.053 543 T CB 1.077 70.064 68.868 0.199 0.000 1.566 543 T HN -0.127 nan 8.240 nan 0.000 0.486 544 S N 0.754 116.488 115.700 0.057 0.000 2.588 544 S HA 0.507 4.977 4.470 0.001 0.000 0.275 544 S C -2.222 172.388 174.600 0.017 0.000 1.130 544 S CA -0.912 57.298 58.200 0.015 0.000 0.855 544 S CB 1.949 65.149 63.200 -0.001 0.000 1.116 544 S HN 0.529 nan 8.310 nan 0.000 0.472 545 P HA -0.230 nan 4.420 nan 0.000 0.215 545 P C 1.274 178.582 177.300 0.013 0.000 1.163 545 P CA 1.569 64.644 63.100 -0.041 0.000 0.894 545 P CB -0.002 31.649 31.700 -0.081 0.000 0.791 546 K N -0.249 120.162 120.400 0.019 0.000 2.442 546 K HA -0.081 4.239 4.320 0.001 0.000 0.198 546 K C 1.453 178.097 176.600 0.074 0.000 1.044 546 K CA 1.199 57.511 56.287 0.042 0.000 0.948 546 K CB -0.242 32.275 32.500 0.028 0.000 0.762 546 K HN 0.128 nan 8.250 nan 0.000 0.472 547 R N 0.428 120.981 120.500 0.088 0.000 2.437 547 R HA 0.217 4.557 4.340 0.001 0.000 0.257 547 R C -0.407 176.003 176.300 0.183 0.000 0.927 547 R CA -0.456 55.724 56.100 0.134 0.000 1.078 547 R CB 0.343 30.716 30.300 0.122 0.000 1.161 547 R HN 0.071 nan 8.270 nan 0.000 0.529 548 L N 1.062 122.380 121.223 0.160 0.000 2.289 548 L HA 0.362 4.703 4.340 0.001 0.000 0.285 548 L C -0.703 176.280 176.870 0.188 0.000 1.049 548 L CA 0.366 55.317 54.840 0.184 0.000 0.804 548 L CB 1.833 43.987 42.059 0.159 0.000 1.195 548 L HN -0.141 nan 8.230 nan 0.000 0.428 549 T N 6.586 121.224 114.554 0.141 0.000 2.829 549 T HA 0.636 4.986 4.350 0.001 0.000 0.280 549 T C -0.351 174.260 174.700 -0.148 0.000 0.999 549 T CA -0.268 61.853 62.100 0.035 0.000 0.983 549 T CB 0.997 69.889 68.868 0.040 0.000 0.968 549 T HN 0.595 nan 8.240 nan 0.000 0.446 550 I N 1.170 121.619 120.570 -0.201 0.000 2.603 550 I HA 0.715 4.885 4.170 0.001 0.000 0.300 550 I C -0.482 175.448 176.117 -0.312 0.000 1.017 550 I CA -0.775 60.366 61.300 -0.265 0.000 1.098 550 I CB 1.981 39.821 38.000 -0.266 0.000 1.279 550 I HN 0.485 nan 8.210 nan 0.000 0.437 551 N N 3.107 121.619 118.700 -0.313 0.000 2.277 551 N HA 0.767 5.507 4.740 0.001 0.000 0.286 551 N C -1.273 174.145 175.510 -0.153 0.000 1.140 551 N CA -0.409 52.508 53.050 -0.221 0.000 0.799 551 N CB 2.818 41.124 38.487 -0.302 0.000 1.596 551 N HN 1.105 nan 8.380 nan 0.000 0.473 552 G N -0.081 108.646 108.800 -0.122 0.000 2.616 552 G HA2 0.566 4.527 3.960 0.001 0.000 0.294 552 G HA3 0.566 4.527 3.960 0.001 0.000 0.294 552 G C -1.534 173.331 174.900 -0.059 0.000 1.489 552 G CA -0.533 44.428 45.100 -0.232 0.000 0.836 552 G HN 0.611 nan 8.290 nan 0.000 0.527 553 G N -0.779 108.030 108.800 0.016 0.000 2.571 553 G HA2 0.725 4.685 3.960 0.001 0.000 0.304 553 G HA3 0.725 4.685 3.960 0.001 0.000 0.304 553 G C 0.297 175.219 174.900 0.037 0.000 1.314 553 G CA 0.935 46.046 45.100 0.018 0.000 0.975 553 G HN 1.979 nan 8.290 nan 0.000 0.485 554 S N 0.718 116.409 115.700 -0.015 0.000 4.140 554 S HA -0.380 4.091 4.470 0.001 0.000 0.618 554 S C 1.999 176.518 174.600 -0.136 0.000 1.896 554 S CA 2.000 60.212 58.200 0.019 0.000 4.240 554 S CB -1.471 61.840 63.200 0.185 0.000 0.208 554 S HN 1.432 nan 8.310 nan 0.000 0.487 555 N N 1.322 119.886 118.700 -0.226 0.000 2.272 555 N HA 0.011 4.752 4.740 0.001 0.000 0.185 555 N C 1.583 176.829 175.510 -0.441 0.000 1.014 555 N CA 2.461 55.289 53.050 -0.369 0.000 0.870 555 N CB -0.940 37.201 38.487 -0.576 0.000 0.975 555 N HN 0.635 nan 8.380 nan 0.000 0.433 556 G N -1.134 107.438 108.800 -0.381 0.000 2.484 556 G HA2 -0.047 3.913 3.960 0.001 0.000 0.218 556 G HA3 -0.047 3.913 3.960 0.001 0.000 0.218 556 G C 1.410 176.154 174.900 -0.260 0.000 1.130 556 G CA 0.509 45.411 45.100 -0.330 0.000 0.784 556 G HN 0.427 nan 8.290 nan 0.000 0.543 557 G N 1.076 109.770 108.800 -0.177 0.000 2.394 557 G HA2 -0.092 3.868 3.960 0.001 0.000 0.215 557 G HA3 -0.092 3.868 3.960 0.001 0.000 0.215 557 G C 1.710 176.504 174.900 -0.177 0.000 1.165 557 G CA 0.987 46.000 45.100 -0.144 0.000 0.784 557 G HN 0.417 nan 8.290 nan 0.000 0.535 558 L N 0.440 121.541 121.223 -0.202 0.000 2.012 558 L HA 0.015 4.355 4.340 0.001 0.000 0.210 558 L C 2.503 179.294 176.870 -0.133 0.000 1.073 558 L CA 1.832 56.554 54.840 -0.197 0.000 0.748 558 L CB -0.729 41.215 42.059 -0.191 0.000 0.891 558 L HN 0.183 nan 8.230 nan 0.000 0.431 559 L N -0.223 120.923 121.223 -0.128 0.000 1.971 559 L HA -0.192 4.148 4.340 0.001 0.000 0.215 559 L C 2.603 179.379 176.870 -0.157 0.000 1.072 559 L CA 2.632 57.420 54.840 -0.087 0.000 0.758 559 L CB -1.058 40.758 42.059 -0.404 0.000 0.889 559 L HN 0.364 nan 8.230 nan 0.000 0.433 560 V N -2.310 117.462 119.914 -0.236 0.000 2.515 560 V HA -0.077 4.043 4.120 0.001 0.000 0.250 560 V C 2.482 178.488 176.094 -0.147 0.000 1.058 560 V CA 1.424 63.603 62.300 -0.203 0.000 1.064 560 V CB -1.837 29.864 31.823 -0.203 0.000 0.675 560 V HN 0.510 nan 8.190 nan 0.000 0.461 561 A N 0.822 123.574 122.820 -0.113 0.000 1.873 561 A HA -0.138 4.183 4.320 0.001 0.000 0.215 561 A C 2.366 179.910 177.584 -0.067 0.000 1.186 561 A CA 2.581 54.607 52.037 -0.020 0.000 0.616 561 A CB -1.356 17.539 19.000 -0.176 0.000 0.823 561 A HN 0.542 nan 8.150 nan 0.000 0.442 562 T N -0.760 113.650 114.554 -0.239 0.000 2.746 562 T HA -0.184 4.167 4.350 0.001 0.000 0.267 562 T C 1.883 176.433 174.700 -0.250 0.000 1.039 562 T CA 1.590 63.461 62.100 -0.381 0.000 1.142 562 T CB -0.661 67.615 68.868 -0.987 0.000 0.866 562 T HN 0.560 nan 8.240 nan 0.000 0.444 563 C N 1.568 120.771 119.300 -0.160 0.000 2.422 563 C HA 0.072 4.533 4.460 0.001 0.000 0.279 563 C C 3.171 178.230 174.990 0.115 0.000 1.305 563 C CA 0.298 59.333 59.018 0.028 0.000 1.757 563 C CB -1.432 26.333 27.740 0.042 0.000 1.962 563 C HN 0.656 nan 8.230 nan 0.000 0.499 564 A N 1.164 123.980 122.820 -0.007 0.000 1.902 564 A HA -0.164 4.156 4.320 0.001 0.000 0.217 564 A C 1.957 179.471 177.584 -0.118 0.000 1.181 564 A CA 1.821 53.867 52.037 0.015 0.000 0.623 564 A CB -0.518 18.515 19.000 0.056 0.000 0.818 564 A HN 0.638 nan 8.150 nan 0.000 0.443 565 N N -0.157 118.538 118.700 -0.007 0.000 2.142 565 N HA -0.125 4.615 4.740 0.001 0.000 0.186 565 N C 1.942 177.437 175.510 -0.024 0.000 1.023 565 N CA 1.543 54.607 53.050 0.023 0.000 0.852 565 N CB -0.410 38.153 38.487 0.126 0.000 0.998 565 N HN 0.664 nan 8.380 nan 0.000 0.424 566 Q N -0.255 119.538 119.800 -0.011 0.000 2.123 566 Q HA 0.089 4.429 4.340 0.001 0.000 0.199 566 Q C 0.143 176.151 176.000 0.012 0.000 0.966 566 Q CA 0.857 56.664 55.803 0.007 0.000 0.845 566 Q CB 0.378 29.120 28.738 0.007 0.000 0.907 566 Q HN 0.059 nan 8.270 nan 0.000 0.439 567 R N 0.364 120.893 120.500 0.047 0.000 2.674 567 R HA 0.182 4.522 4.340 0.001 0.000 0.270 567 R C -2.172 174.090 176.300 -0.063 0.000 1.492 567 R CA -1.559 54.529 56.100 -0.021 0.000 1.624 567 R CB 0.673 30.943 30.300 -0.050 0.000 1.307 567 R HN 0.142 nan 8.270 nan 0.000 0.683 568 P HA -0.162 nan 4.420 nan 0.000 0.222 568 P C 0.540 177.766 177.300 -0.124 0.000 1.147 568 P CA 1.153 64.154 63.100 -0.166 0.000 0.790 568 P CB 0.310 31.761 31.700 -0.416 0.000 0.780 569 D N -0.714 119.592 120.400 -0.157 0.000 2.347 569 D HA -0.087 4.553 4.640 0.001 0.000 0.215 569 D C 1.716 177.865 176.300 -0.252 0.000 0.976 569 D CA 0.280 54.189 54.000 -0.152 0.000 0.884 569 D CB -0.569 40.159 40.800 -0.119 0.000 0.915 569 D HN 0.136 nan 8.370 nan 0.000 0.526 570 L N -0.666 120.258 121.223 -0.497 0.000 2.477 570 L HA 0.271 4.611 4.340 0.001 0.000 0.220 570 L C -0.386 175.953 176.870 -0.885 0.000 1.106 570 L CA 0.420 54.779 54.840 -0.802 0.000 0.851 570 L CB -0.058 41.282 42.059 -1.198 0.000 0.994 570 L HN -0.186 nan 8.230 nan 0.000 0.462 571 F N -2.345 117.585 119.950 -0.033 0.000 2.546 571 F HA 0.598 5.126 4.527 0.001 0.000 0.320 571 F C 1.270 177.075 175.800 0.008 0.000 1.076 571 F CA -0.646 57.346 58.000 -0.014 0.000 0.928 571 F CB 1.169 40.161 39.000 -0.014 0.000 1.189 571 F HN -0.276 nan 8.300 nan 0.000 0.465 572 G N -0.553 108.375 108.800 0.213 0.000 2.608 572 G HA2 0.152 4.112 3.960 0.001 0.000 0.210 572 G HA3 0.152 4.112 3.960 0.001 0.000 0.210 572 G C -0.461 174.534 174.900 0.158 0.000 1.139 572 G CA 0.325 45.512 45.100 0.146 0.000 0.812 572 G HN 0.648 nan 8.290 nan 0.000 0.529 573 C N -0.036 119.372 119.300 0.181 0.000 2.783 573 C HA 0.739 5.199 4.460 0.001 0.000 0.312 573 C C -1.351 173.719 174.990 0.134 0.000 1.182 573 C CA -0.607 58.522 59.018 0.184 0.000 1.432 573 C CB 1.221 29.065 27.740 0.174 0.000 1.933 573 C HN 0.101 nan 8.230 nan 0.000 0.473 574 V N 6.107 126.106 119.914 0.143 0.000 2.623 574 V HA 0.523 4.644 4.120 0.001 0.000 0.304 574 V C -0.594 175.512 176.094 0.020 0.000 1.054 574 V CA -0.239 62.069 62.300 0.014 0.000 0.882 574 V CB 1.714 33.530 31.823 -0.012 0.000 1.002 574 V HN 0.739 nan 8.190 nan 0.000 0.424 575 I N 4.134 124.673 120.570 -0.050 0.000 2.382 575 I HA 0.690 4.861 4.170 0.001 0.000 0.285 575 I C 0.258 176.333 176.117 -0.070 0.000 1.007 575 I CA -0.505 60.751 61.300 -0.073 0.000 1.142 575 I CB 1.773 39.732 38.000 -0.069 0.000 1.289 575 I HN 0.681 nan 8.210 nan 0.000 0.453 576 A N 6.692 129.480 122.820 -0.054 0.000 2.256 576 A HA 0.574 4.894 4.320 0.001 0.000 0.317 576 A C -0.420 177.146 177.584 -0.029 0.000 1.318 576 A CA -0.480 51.534 52.037 -0.038 0.000 0.894 576 A CB 0.456 19.460 19.000 0.008 0.000 1.165 576 A HN 0.712 nan 8.150 nan 0.000 0.525 577 Q N 1.361 121.143 119.800 -0.031 0.000 2.257 577 Q HA 0.424 4.764 4.340 0.001 0.000 0.255 577 Q C 0.583 176.562 176.000 -0.036 0.000 0.920 577 Q CA -0.348 55.438 55.803 -0.030 0.000 0.927 577 Q CB 2.024 30.748 28.738 -0.023 0.000 1.229 577 Q HN 1.465 nan 8.270 nan 0.000 0.433 578 V N -0.017 119.888 119.914 -0.014 0.000 5.404 578 V HA -0.243 3.877 4.120 0.001 0.000 0.249 578 V C 0.250 176.378 176.094 0.056 0.000 0.682 578 V CA 0.900 63.225 62.300 0.042 0.000 0.608 578 V CB -2.283 29.546 31.823 0.010 0.000 0.311 578 V HN 0.817 nan 8.190 nan 0.000 0.680 579 G N 0.101 108.900 108.800 -0.001 0.000 2.448 579 G HA2 0.572 4.532 3.960 0.001 0.000 0.285 579 G HA3 0.572 4.532 3.960 0.001 0.000 0.285 579 G C -0.316 174.486 174.900 -0.164 0.000 1.176 579 G CA -0.357 44.693 45.100 -0.083 0.000 0.852 579 G HN 1.122 nan 8.290 nan 0.000 0.530 580 V N 3.462 123.197 119.914 -0.299 0.000 2.387 580 V HA 0.085 4.205 4.120 0.001 0.000 0.260 580 V C 0.651 176.533 176.094 -0.354 0.000 1.054 580 V CA -0.181 61.809 62.300 -0.516 0.000 0.967 580 V CB 1.046 32.586 31.823 -0.471 0.000 1.036 580 V HN 0.698 nan 8.190 nan 0.000 0.481 581 M N 1.298 120.776 119.600 -0.204 0.000 2.653 581 M HA 0.255 4.736 4.480 0.001 0.000 0.259 581 M C 0.680 176.967 176.300 -0.022 0.000 1.244 581 M CA 0.425 55.592 55.300 -0.220 0.000 1.163 581 M CB -0.209 32.186 32.600 -0.341 0.000 1.309 581 M HN 0.541 nan 8.290 nan 0.000 0.509 582 D N 1.773 122.389 120.400 0.361 0.000 2.479 582 D HA 0.195 4.836 4.640 0.001 0.000 0.218 582 D C 0.748 177.310 176.300 0.437 0.000 1.131 582 D CA -0.018 54.185 54.000 0.339 0.000 0.916 582 D CB 0.811 41.793 40.800 0.304 0.000 1.022 582 D HN -0.033 nan 8.370 nan 0.000 0.515 583 M N 2.980 122.748 119.600 0.280 0.000 2.630 583 M HA 0.009 4.489 4.480 0.001 0.000 0.254 583 M C 1.482 178.031 176.300 0.415 0.000 1.092 583 M CA 0.493 55.989 55.300 0.327 0.000 1.087 583 M CB -0.191 32.382 32.600 -0.046 0.000 1.453 583 M HN 0.454 nan 8.290 nan 0.000 0.509 584 L N -0.879 120.502 121.223 0.263 0.000 2.416 584 L HA -0.025 4.316 4.340 0.001 0.000 0.216 584 L C 1.672 178.690 176.870 0.246 0.000 1.098 584 L CA 0.583 55.507 54.840 0.140 0.000 0.840 584 L CB -0.085 41.866 42.059 -0.180 0.000 0.981 584 L HN 0.242 nan 8.230 nan 0.000 0.462 585 K N -0.411 120.124 120.400 0.226 0.000 2.438 585 K HA 0.110 4.431 4.320 0.001 0.000 0.206 585 K C 1.599 178.123 176.600 -0.128 0.000 1.081 585 K CA -0.026 56.242 56.287 -0.031 0.000 1.053 585 K CB 0.429 32.989 32.500 0.101 0.000 0.908 585 K HN 0.108 nan 8.250 nan 0.000 0.556 586 F N 2.159 122.292 119.950 0.305 0.000 2.192 586 F HA -0.247 4.281 4.527 0.001 0.000 0.301 586 F C 2.136 178.013 175.800 0.129 0.000 1.079 586 F CA 1.413 59.678 58.000 0.441 0.000 1.303 586 F CB -0.960 38.384 39.000 0.573 0.000 1.024 586 F HN 0.125 nan 8.300 nan 0.000 0.494 587 H N 0.592 119.179 119.070 -0.804 0.000 2.546 587 H HA 0.074 4.630 4.556 0.001 0.000 0.277 587 H C 1.186 176.306 175.328 -0.346 0.000 1.004 587 H CA 1.141 56.873 56.048 -0.528 0.000 1.231 587 H CB -0.701 28.696 29.762 -0.608 0.000 1.382 587 H HN 0.424 nan 8.280 nan 0.000 0.580 588 K N 0.235 120.073 120.400 -0.937 0.000 2.366 588 K HA 0.030 4.351 4.320 0.001 0.000 0.198 588 K C -0.366 175.793 176.600 -0.735 0.000 1.044 588 K CA 0.403 56.149 56.287 -0.902 0.000 0.973 588 K CB 0.191 31.940 32.500 -1.252 0.000 0.767 588 K HN 0.226 nan 8.250 nan 0.000 0.475 589 Y N 0.721 120.957 120.300 -0.107 0.000 2.446 589 Y HA 0.064 4.615 4.550 0.001 0.000 0.338 589 Y C 1.521 177.371 175.900 -0.084 0.000 1.055 589 Y CA -1.099 56.965 58.100 -0.059 0.000 1.101 589 Y CB 1.012 39.459 38.460 -0.022 0.000 1.221 589 Y HN 0.168 nan 8.280 nan 0.000 0.460 590 T N -0.383 114.238 114.554 0.112 0.000 8.188 590 T HA -0.408 3.942 4.350 0.001 0.000 0.253 590 T C 0.882 175.518 174.700 -0.106 0.000 1.618 590 T CA 1.956 64.060 62.100 0.006 0.000 1.500 590 T CB -1.147 67.729 68.868 0.013 0.000 1.763 590 T HN 0.631 nan 8.240 nan 0.000 0.450 591 I N 2.442 122.876 120.570 -0.226 0.000 3.904 591 I HA 0.504 4.675 4.170 0.001 0.000 0.333 591 I C 2.115 177.624 176.117 -1.014 0.000 1.361 591 I CA 0.564 61.535 61.300 -0.549 0.000 1.116 591 I CB -0.557 37.183 38.000 -0.434 0.000 1.028 591 I HN 0.736 nan 8.210 nan 0.000 0.398 592 G N 0.403 108.643 108.800 -0.933 0.000 2.462 592 G HA2 -0.350 3.610 3.960 0.001 0.000 0.220 592 G HA3 -0.350 3.610 3.960 0.001 0.000 0.220 592 G C 1.429 175.926 174.900 -0.671 0.000 1.121 592 G CA 1.345 45.672 45.100 -1.288 0.000 0.758 592 G HN 0.711 nan 8.290 nan 0.000 0.559 593 H N -0.225 118.657 119.070 -0.313 0.000 2.456 593 H HA 0.317 4.873 4.556 0.001 0.000 0.296 593 H C 2.338 177.622 175.328 -0.074 0.000 1.079 593 H CA 1.064 57.049 56.048 -0.105 0.000 1.322 593 H CB -0.581 29.135 29.762 -0.076 0.000 1.388 593 H HN 0.271 nan 8.280 nan 0.000 0.538 594 A N 0.687 123.228 122.820 -0.465 0.000 2.067 594 A HA -0.066 4.254 4.320 0.001 0.000 0.219 594 A C 1.187 178.845 177.584 0.122 0.000 1.158 594 A CA 0.902 52.837 52.037 -0.170 0.000 0.661 594 A CB -0.771 18.028 19.000 -0.335 0.000 0.801 594 A HN 0.597 nan 8.150 nan 0.000 0.452 595 W N 0.617 122.030 121.300 0.189 0.000 3.180 595 W HA 0.064 4.724 4.660 0.001 0.000 0.254 595 W C 2.057 178.697 176.519 0.201 0.000 1.318 595 W CA 0.861 58.338 57.345 0.219 0.000 1.608 595 W CB -1.699 27.867 29.460 0.177 0.000 1.124 595 W HN 0.529 nan 8.180 nan 0.000 0.694 596 T N -2.140 112.719 114.554 0.509 0.000 2.977 596 T HA -0.190 4.160 4.350 0.001 0.000 0.271 596 T C 1.675 176.514 174.700 0.230 0.000 1.105 596 T CA 1.946 64.318 62.100 0.454 0.000 1.116 596 T CB -0.707 68.371 68.868 0.349 0.000 0.878 596 T HN 0.149 nan 8.240 nan 0.000 0.509 597 T N -1.484 113.150 114.554 0.133 0.000 3.035 597 T HA 0.031 4.382 4.350 0.001 0.000 0.268 597 T C 1.351 175.987 174.700 -0.106 0.000 1.109 597 T CA 1.088 63.205 62.100 0.029 0.000 1.119 597 T CB -0.244 68.639 68.868 0.025 0.000 0.900 597 T HN 0.335 nan 8.240 nan 0.000 0.503 598 D N -0.454 119.798 120.400 -0.247 0.000 2.394 598 D HA 0.179 4.819 4.640 0.001 0.000 0.226 598 D C 1.066 177.160 176.300 -0.343 0.000 0.990 598 D CA 0.422 54.078 54.000 -0.574 0.000 0.902 598 D CB 0.182 40.122 40.800 -1.433 0.000 1.038 598 D HN 0.399 nan 8.370 nan 0.000 0.499 599 Y N -0.169 120.121 120.300 -0.016 0.000 2.522 599 Y HA 0.442 4.992 4.550 0.001 0.000 0.277 599 Y C 1.480 177.533 175.900 0.253 0.000 1.104 599 Y CA 0.427 58.585 58.100 0.096 0.000 1.260 599 Y CB 0.163 38.653 38.460 0.049 0.000 1.151 599 Y HN -0.034 nan 8.280 nan 0.000 0.539 600 G N -0.542 108.501 108.800 0.406 0.000 2.549 600 G HA2 -0.081 3.880 3.960 0.001 0.000 0.404 600 G HA3 -0.081 3.880 3.960 0.001 0.000 0.404 600 G C -1.347 173.855 174.900 0.503 0.000 1.292 600 G CA -0.987 44.269 45.100 0.260 0.000 0.935 600 G HN 0.411 nan 8.290 nan 0.000 0.512 601 C N 0.017 119.609 119.300 0.487 0.000 2.608 601 C HA 0.735 5.195 4.460 0.001 0.000 0.325 601 C C 1.947 176.974 174.990 0.062 0.000 1.147 601 C CA 0.717 59.804 59.018 0.114 0.000 1.359 601 C CB 0.833 28.533 27.740 -0.067 0.000 1.912 601 C HN 2.090 nan 8.230 nan 0.000 0.466 602 S N 1.941 117.647 115.700 0.010 0.000 2.500 602 S HA -0.147 4.323 4.470 0.001 0.000 0.239 602 S C 0.848 175.609 174.600 0.270 0.000 0.989 602 S CA 1.878 60.208 58.200 0.217 0.000 0.951 602 S CB -0.308 63.082 63.200 0.316 0.000 0.759 602 S HN 0.871 nan 8.310 nan 0.000 0.523 603 D N 1.839 122.266 120.400 0.045 0.000 2.219 603 D HA 0.039 4.680 4.640 0.001 0.000 0.205 603 D C 0.949 177.315 176.300 0.110 0.000 0.970 603 D CA 0.924 54.964 54.000 0.066 0.000 0.851 603 D CB -0.223 40.538 40.800 -0.065 0.000 0.943 603 D HN 0.494 nan 8.370 nan 0.000 0.488 604 S N -0.038 115.612 115.700 -0.084 0.000 2.513 604 S HA 0.133 4.603 4.470 0.001 0.000 0.276 604 S C 1.039 175.340 174.600 -0.498 0.000 1.254 604 S CA -0.725 57.272 58.200 -0.339 0.000 1.053 604 S CB 1.513 64.264 63.200 -0.748 0.000 0.958 604 S HN -0.016 nan 8.310 nan 0.000 0.491 605 K N 3.127 123.066 120.400 -0.769 0.000 2.057 605 K HA -0.178 4.142 4.320 0.001 0.000 0.207 605 K C 2.110 178.440 176.600 -0.450 0.000 1.049 605 K CA 1.660 57.397 56.287 -0.916 0.000 0.931 605 K CB -0.246 31.873 32.500 -0.635 0.000 0.714 605 K HN 0.856 nan 8.250 nan 0.000 0.440 606 Q N -0.110 119.427 119.800 -0.438 0.000 2.050 606 Q HA -0.212 4.128 4.340 0.001 0.000 0.202 606 Q C 1.834 177.311 176.000 -0.872 0.000 0.980 606 Q CA 1.788 57.308 55.803 -0.471 0.000 0.840 606 Q CB -0.130 28.402 28.738 -0.343 0.000 0.898 606 Q HN 0.617 nan 8.270 nan 0.000 0.424 607 H N -1.109 117.350 119.070 -1.018 0.000 2.353 607 H HA -0.154 4.402 4.556 0.001 0.000 0.300 607 H C 1.990 177.009 175.328 -0.515 0.000 1.090 607 H CA 0.949 56.349 56.048 -1.080 0.000 1.327 607 H CB -0.206 29.273 29.762 -0.473 0.000 1.383 607 H HN 0.320 nan 8.280 nan 0.000 0.508 608 F N 2.560 122.344 119.950 -0.277 0.000 2.120 608 F HA -0.222 4.305 4.527 0.001 0.000 0.300 608 F C 2.167 177.840 175.800 -0.212 0.000 1.095 608 F CA 1.279 59.162 58.000 -0.194 0.000 1.249 608 F CB -0.041 38.903 39.000 -0.093 0.000 0.995 608 F HN 0.023 nan 8.300 nan 0.000 0.480 609 E N -0.219 119.809 120.200 -0.286 0.000 2.204 609 E HA -0.210 4.140 4.350 0.001 0.000 0.195 609 E C 2.125 178.648 176.600 -0.129 0.000 0.990 609 E CA 1.273 57.536 56.400 -0.229 0.000 0.821 609 E CB -0.642 29.008 29.700 -0.082 0.000 0.750 609 E HN 0.579 nan 8.360 nan 0.000 0.477 610 W N 0.635 121.866 121.300 -0.115 0.000 2.480 610 W HA 0.106 4.766 4.660 0.001 0.000 0.299 610 W C 2.267 178.670 176.519 -0.193 0.000 1.187 610 W CA -0.023 57.293 57.345 -0.048 0.000 1.347 610 W CB -1.290 28.200 29.460 0.051 0.000 1.121 610 W HN 0.028 nan 8.180 nan 0.000 0.533 611 L N 0.136 121.296 121.223 -0.104 0.000 2.012 611 L HA -0.247 4.093 4.340 0.001 0.000 0.210 611 L C 2.419 178.860 176.870 -0.715 0.000 1.073 611 L CA 1.216 55.739 54.840 -0.527 0.000 0.748 611 L CB -1.151 40.720 42.059 -0.313 0.000 0.891 611 L HN -0.149 nan 8.230 nan 0.000 0.431 612 I N -0.014 120.089 120.570 -0.778 0.000 2.423 612 I HA -0.277 3.893 4.170 0.001 0.000 0.254 612 I C 2.330 178.224 176.117 -0.371 0.000 1.151 612 I CA 1.604 62.462 61.300 -0.737 0.000 1.421 612 I CB -0.329 36.971 38.000 -1.167 0.000 1.079 612 I HN 0.136 nan 8.210 nan 0.000 0.431 613 K N -0.776 119.473 120.400 -0.251 0.000 2.217 613 K HA -0.133 4.187 4.320 0.001 0.000 0.202 613 K C 1.425 178.035 176.600 0.017 0.000 1.051 613 K CA 1.673 57.930 56.287 -0.051 0.000 0.952 613 K CB -0.116 32.423 32.500 0.065 0.000 0.736 613 K HN 0.627 nan 8.250 nan 0.000 0.453 614 Y N -2.200 118.064 120.300 -0.060 0.000 2.432 614 Y HA 0.312 4.862 4.550 0.001 0.000 0.252 614 Y C 0.506 176.300 175.900 -0.178 0.000 1.097 614 Y CA -0.829 57.186 58.100 -0.142 0.000 1.250 614 Y CB -0.102 38.294 38.460 -0.107 0.000 1.245 614 Y HN -0.254 nan 8.280 nan 0.000 0.522 615 S N 3.966 119.435 115.700 -0.384 0.000 2.737 615 S HA 0.016 4.486 4.470 0.001 0.000 0.315 615 S C -1.421 173.114 174.600 -0.108 0.000 1.236 615 S CA -0.660 57.415 58.200 -0.208 0.000 1.093 615 S CB 0.478 63.639 63.200 -0.065 0.000 0.832 615 S HN 0.240 nan 8.310 nan 0.000 0.507 616 P HA -0.146 nan 4.420 nan 0.000 0.215 616 P C 1.568 178.753 177.300 -0.191 0.000 1.157 616 P CA 0.616 63.515 63.100 -0.335 0.000 0.874 616 P CB 0.043 31.234 31.700 -0.848 0.000 0.790 617 L N -1.290 119.768 121.223 -0.275 0.000 2.187 617 L HA -0.158 4.182 4.340 0.001 0.000 0.213 617 L C 1.288 177.950 176.870 -0.348 0.000 1.100 617 L CA 2.044 56.752 54.840 -0.219 0.000 0.765 617 L CB -1.167 40.659 42.059 -0.388 0.000 0.904 617 L HN 0.111 nan 8.230 nan 0.000 0.437 618 H N -1.806 117.286 119.070 0.037 0.000 2.542 618 H HA 0.332 4.889 4.556 0.001 0.000 0.283 618 H C 0.445 175.800 175.328 0.045 0.000 1.059 618 H CA 0.084 56.151 56.048 0.033 0.000 1.162 618 H CB 0.045 29.784 29.762 -0.039 0.000 1.539 618 H HN 0.271 nan 8.280 nan 0.000 0.543 619 N N 0.574 119.348 118.700 0.123 0.000 2.377 619 N HA 0.087 4.827 4.740 0.001 0.000 0.259 619 N C -0.834 174.781 175.510 0.175 0.000 1.332 619 N CA 0.117 53.242 53.050 0.126 0.000 0.877 619 N CB 1.899 40.433 38.487 0.078 0.000 1.299 619 N HN -0.008 nan 8.380 nan 0.000 0.501 620 V N 1.625 121.647 119.914 0.180 0.000 2.455 620 V HA 0.226 4.346 4.120 0.001 0.000 0.273 620 V C 0.347 176.515 176.094 0.123 0.000 1.045 620 V CA 0.220 62.623 62.300 0.171 0.000 0.976 620 V CB 0.956 32.821 31.823 0.069 0.000 0.993 620 V HN 0.099 nan 8.190 nan 0.000 0.475 621 K N 4.952 125.456 120.400 0.173 0.000 2.550 621 K HA 0.445 4.766 4.320 0.001 0.000 0.252 621 K C -1.126 175.586 176.600 0.186 0.000 0.943 621 K CA -0.857 55.512 56.287 0.136 0.000 0.806 621 K CB 1.708 34.292 32.500 0.140 0.000 1.289 621 K HN 0.523 nan 8.250 nan 0.000 0.435 622 L N 4.947 126.227 121.223 0.094 0.000 2.540 622 L HA 0.103 4.443 4.340 0.001 0.000 0.276 622 L C -1.960 175.000 176.870 0.151 0.000 1.212 622 L CA -1.384 53.523 54.840 0.111 0.000 0.893 622 L CB 0.141 42.224 42.059 0.040 0.000 1.138 622 L HN 0.494 nan 8.230 nan 0.000 0.491 623 P HA 0.012 nan 4.420 nan 0.000 0.266 623 P C 0.186 177.530 177.300 0.074 0.000 1.195 623 P CA -0.095 63.075 63.100 0.118 0.000 0.768 623 P CB 0.615 32.377 31.700 0.103 0.000 0.838 624 E N 1.634 121.866 120.200 0.054 0.000 2.047 624 E HA -0.075 4.276 4.350 0.001 0.000 0.191 624 E C 0.663 177.281 176.600 0.030 0.000 0.987 624 E CA 0.665 57.089 56.400 0.039 0.000 0.799 624 E CB -0.159 29.560 29.700 0.033 0.000 0.752 624 E HN 0.540 nan 8.360 nan 0.000 0.449 625 A N 1.889 124.725 122.820 0.026 0.000 2.477 625 A HA -0.031 4.290 4.320 0.001 0.000 0.246 625 A C 0.415 178.012 177.584 0.022 0.000 1.078 625 A CA -0.266 51.782 52.037 0.019 0.000 0.770 625 A CB 0.325 19.332 19.000 0.011 0.000 1.011 625 A HN 0.017 nan 8.150 nan 0.000 0.494 626 D N 1.202 121.612 120.400 0.017 0.000 2.144 626 D HA -0.145 4.495 4.640 0.001 0.000 0.199 626 D C 0.933 177.244 176.300 0.018 0.000 0.984 626 D CA 1.860 55.871 54.000 0.018 0.000 0.834 626 D CB -0.108 40.700 40.800 0.012 0.000 0.955 626 D HN 0.794 nan 8.370 nan 0.000 0.465 627 D N 0.000 120.409 120.400 0.014 0.000 2.324 627 D HA -0.008 4.633 4.640 0.001 0.000 0.235 627 D C 0.364 176.673 176.300 0.014 0.000 1.095 627 D CA -0.047 53.960 54.000 0.012 0.000 0.871 627 D CB -0.328 40.475 40.800 0.005 0.000 0.906 627 D HN 0.219 nan 8.370 nan 0.000 0.522 628 I N 0.922 121.506 120.570 0.022 0.000 2.466 628 I HA 0.257 4.428 4.170 0.001 0.000 0.289 628 I C -0.152 175.999 176.117 0.058 0.000 1.026 628 I CA -0.870 60.445 61.300 0.026 0.000 1.078 628 I CB 1.853 39.859 38.000 0.011 0.000 1.249 628 I HN -0.014 nan 8.210 nan 0.000 0.429 629 Q N 4.340 124.185 119.800 0.074 0.000 2.633 629 Q HA 0.514 4.854 4.340 0.001 0.000 0.292 629 Q C -1.538 174.570 176.000 0.180 0.000 1.089 629 Q CA -0.944 54.943 55.803 0.140 0.000 0.811 629 Q CB 1.656 30.462 28.738 0.113 0.000 1.472 629 Q HN 0.365 nan 8.270 nan 0.000 0.464 630 Y N 1.502 121.827 120.300 0.041 0.000 2.326 630 Y HA 0.282 4.833 4.550 0.001 0.000 0.333 630 Y C -1.928 174.018 175.900 0.077 0.000 1.240 630 Y CA -1.793 56.342 58.100 0.058 0.000 1.365 630 Y CB 0.533 39.014 38.460 0.036 0.000 1.289 630 Y HN 0.511 nan 8.280 nan 0.000 0.548 631 P HA 0.031 nan 4.420 nan 0.000 0.273 631 P C -0.715 176.708 177.300 0.205 0.000 1.250 631 P CA -0.285 62.918 63.100 0.171 0.000 0.793 631 P CB 0.659 32.472 31.700 0.190 0.000 1.011 632 S N 0.728 116.542 115.700 0.190 0.000 2.549 632 S HA 0.258 4.728 4.470 0.001 0.000 0.283 632 S C 0.445 175.259 174.600 0.357 0.000 1.320 632 S CA 0.098 58.445 58.200 0.245 0.000 1.058 632 S CB -0.453 62.815 63.200 0.113 0.000 0.882 632 S HN 0.330 nan 8.310 nan 0.000 0.498 633 M N 3.107 122.919 119.600 0.353 0.000 2.393 633 M HA 0.510 4.990 4.480 0.001 0.000 0.299 633 M C -1.398 174.867 176.300 -0.059 0.000 1.103 633 M CA -0.764 54.643 55.300 0.179 0.000 0.910 633 M CB 1.947 34.596 32.600 0.081 0.000 1.659 633 M HN 0.434 nan 8.290 nan 0.000 0.445 634 L N 4.476 125.524 121.223 -0.291 0.000 2.404 634 L HA 0.635 4.975 4.340 0.001 0.000 0.272 634 L C -1.829 174.887 176.870 -0.258 0.000 0.980 634 L CA -0.261 54.243 54.840 -0.559 0.000 0.836 634 L CB 1.415 42.767 42.059 -1.179 0.000 1.238 634 L HN 0.666 nan 8.230 nan 0.000 0.408 635 L N 6.050 127.172 121.223 -0.168 0.000 2.295 635 L HA 0.550 4.891 4.340 0.001 0.000 0.285 635 L C -0.784 176.052 176.870 -0.058 0.000 1.035 635 L CA -0.631 54.172 54.840 -0.061 0.000 0.806 635 L CB 1.474 43.537 42.059 0.007 0.000 1.214 635 L HN 0.522 nan 8.230 nan 0.000 0.426 636 L N 2.830 124.031 121.223 -0.037 0.000 2.333 636 L HA 0.690 5.030 4.340 0.001 0.000 0.280 636 L C -0.103 176.757 176.870 -0.016 0.000 1.004 636 L CA -0.118 54.705 54.840 -0.027 0.000 0.820 636 L CB 2.061 44.102 42.059 -0.029 0.000 1.247 636 L HN 0.613 nan 8.230 nan 0.000 0.416 637 T N 1.549 116.087 114.554 -0.027 0.000 2.681 637 T HA 0.884 5.234 4.350 0.001 0.000 0.296 637 T C -1.789 172.894 174.700 -0.028 0.000 1.157 637 T CA -0.219 61.882 62.100 0.001 0.000 1.025 637 T CB 2.097 70.988 68.868 0.039 0.000 1.441 637 T HN 0.722 nan 8.240 nan 0.000 0.504 638 A N 0.784 123.615 122.820 0.018 0.000 2.539 638 A HA 0.620 4.940 4.320 0.001 0.000 0.296 638 A C 0.248 177.870 177.584 0.063 0.000 1.073 638 A CA -0.137 51.914 52.037 0.024 0.000 0.700 638 A CB 1.397 20.425 19.000 0.047 0.000 1.296 638 A HN 0.874 nan 8.150 nan 0.000 0.405 639 D N -0.384 120.063 120.400 0.079 0.000 2.348 639 D HA -0.085 4.555 4.640 0.001 0.000 0.216 639 D C 0.504 176.791 176.300 -0.021 0.000 0.970 639 D CA 1.581 55.606 54.000 0.043 0.000 0.889 639 D CB -0.247 40.572 40.800 0.033 0.000 0.912 639 D HN 0.611 nan 8.370 nan 0.000 0.524 640 H N -0.684 118.414 119.070 0.046 0.000 2.528 640 H HA 0.211 4.768 4.556 0.001 0.000 0.282 640 H C -0.497 174.878 175.328 0.079 0.000 1.097 640 H CA -0.557 55.529 56.048 0.064 0.000 1.121 640 H CB 0.174 29.975 29.762 0.065 0.000 1.590 640 H HN -0.015 nan 8.280 nan 0.000 0.553 641 D N 1.671 122.166 120.400 0.158 0.000 2.455 641 D HA -0.046 4.594 4.640 0.001 0.000 0.234 641 D C 0.269 176.642 176.300 0.122 0.000 1.224 641 D CA -0.049 54.050 54.000 0.165 0.000 0.999 641 D CB 0.209 41.125 40.800 0.193 0.000 1.072 641 D HN 0.424 nan 8.370 nan 0.000 0.514 642 D N 1.958 122.420 120.400 0.103 0.000 2.340 642 D HA -0.061 4.579 4.640 0.001 0.000 0.220 642 D C 1.574 177.913 176.300 0.064 0.000 1.039 642 D CA -0.068 53.971 54.000 0.065 0.000 0.866 642 D CB 0.205 41.024 40.800 0.032 0.000 0.913 642 D HN 0.188 nan 8.370 nan 0.000 0.523 643 R N 0.524 121.050 120.500 0.043 0.000 2.057 643 R HA 0.154 4.494 4.340 0.001 0.000 0.224 643 R C 0.015 176.394 176.300 0.132 0.000 1.136 643 R CA 0.877 56.974 56.100 -0.005 0.000 0.968 643 R CB -0.045 30.032 30.300 -0.372 0.000 0.863 643 R HN 0.038 nan 8.270 nan 0.000 0.433 644 V N 3.147 123.094 119.914 0.056 0.000 2.289 644 V HA 0.252 4.372 4.120 0.001 0.000 0.272 644 V C -0.598 175.664 176.094 0.280 0.000 1.026 644 V CA -1.058 61.404 62.300 0.270 0.000 0.807 644 V CB 1.156 33.057 31.823 0.130 0.000 1.044 644 V HN 0.244 nan 8.190 nan 0.000 0.443 645 V N 4.449 124.535 119.914 0.287 0.000 2.681 645 V HA 0.089 4.209 4.120 0.001 0.000 0.306 645 V C -0.424 175.741 176.094 0.118 0.000 1.077 645 V CA -0.379 61.991 62.300 0.117 0.000 1.224 645 V CB 0.130 31.911 31.823 -0.070 0.000 0.879 645 V HN 0.656 nan 8.190 nan 0.000 0.494 646 P HA -0.195 nan 4.420 nan 0.000 0.221 646 P C 1.528 178.817 177.300 -0.017 0.000 1.145 646 P CA 1.675 64.800 63.100 0.041 0.000 0.795 646 P CB 0.001 31.715 31.700 0.022 0.000 0.775 647 L N -2.666 118.473 121.223 -0.140 0.000 2.189 647 L HA -0.158 4.183 4.340 0.001 0.000 0.214 647 L C 2.526 179.285 176.870 -0.185 0.000 1.097 647 L CA 1.881 56.577 54.840 -0.239 0.000 0.764 647 L CB -2.343 39.476 42.059 -0.399 0.000 0.900 647 L HN -0.053 nan 8.230 nan 0.000 0.436 648 H N 0.354 119.398 119.070 -0.043 0.000 2.290 648 H HA -0.099 4.457 4.556 0.001 0.000 0.298 648 H C 2.435 177.779 175.328 0.028 0.000 1.087 648 H CA 1.958 58.010 56.048 0.007 0.000 1.291 648 H CB -0.241 29.549 29.762 0.047 0.000 1.369 648 H HN 0.487 nan 8.280 nan 0.000 0.492 649 S N 0.519 116.323 115.700 0.174 0.000 2.383 649 S HA -0.044 4.427 4.470 0.001 0.000 0.227 649 S C 2.511 177.179 174.600 0.113 0.000 1.026 649 S CA 0.422 58.721 58.200 0.164 0.000 0.981 649 S CB -0.130 63.143 63.200 0.122 0.000 0.818 649 S HN 0.221 nan 8.310 nan 0.000 0.472 650 L N 1.258 122.499 121.223 0.031 0.000 1.994 650 L HA -0.141 4.200 4.340 0.001 0.000 0.208 650 L C 2.472 179.221 176.870 -0.202 0.000 1.071 650 L CA 1.325 56.142 54.840 -0.038 0.000 0.745 650 L CB -0.608 41.320 42.059 -0.218 0.000 0.892 650 L HN 0.246 nan 8.230 nan 0.000 0.431 651 K N -0.519 119.754 120.400 -0.212 0.000 2.057 651 K HA -0.193 4.128 4.320 0.001 0.000 0.207 651 K C 2.157 178.723 176.600 -0.057 0.000 1.049 651 K CA 1.362 57.525 56.287 -0.206 0.000 0.931 651 K CB -0.344 32.084 32.500 -0.121 0.000 0.714 651 K HN 0.077 nan 8.250 nan 0.000 0.440 652 F N 1.984 121.857 119.950 -0.128 0.000 2.102 652 F HA -0.186 4.342 4.527 0.001 0.000 0.298 652 F C 2.113 177.843 175.800 -0.116 0.000 1.105 652 F CA 0.825 58.766 58.000 -0.098 0.000 1.239 652 F CB -0.420 38.550 39.000 -0.051 0.000 0.991 652 F HN -0.125 nan 8.300 nan 0.000 0.474 653 I N 0.410 120.885 120.570 -0.158 0.000 2.315 653 I HA -0.117 4.053 4.170 0.001 0.000 0.248 653 I C 2.396 178.346 176.117 -0.278 0.000 1.117 653 I CA 1.489 62.625 61.300 -0.273 0.000 1.404 653 I CB -0.968 36.952 38.000 -0.133 0.000 1.071 653 I HN 0.126 nan 8.210 nan 0.000 0.419 654 A N -0.898 121.768 122.820 -0.257 0.000 1.933 654 A HA -0.207 4.113 4.320 0.001 0.000 0.218 654 A C 2.339 179.627 177.584 -0.492 0.000 1.175 654 A CA 2.438 54.179 52.037 -0.494 0.000 0.628 654 A CB -1.279 17.020 19.000 -1.169 0.000 0.814 654 A HN 0.453 nan 8.150 nan 0.000 0.444 655 T N 0.258 114.614 114.554 -0.330 0.000 2.770 655 T HA -0.020 4.330 4.350 0.001 0.000 0.263 655 T C 1.837 176.460 174.700 -0.128 0.000 1.039 655 T CA 1.305 63.387 62.100 -0.030 0.000 1.142 655 T CB -0.345 68.565 68.868 0.069 0.000 0.868 655 T HN 0.345 nan 8.240 nan 0.000 0.435 656 L N 0.783 121.800 121.223 -0.342 0.000 2.046 656 L HA -0.167 4.173 4.340 0.001 0.000 0.208 656 L C 2.909 179.547 176.870 -0.386 0.000 1.077 656 L CA 1.479 56.054 54.840 -0.442 0.000 0.747 656 L CB -0.528 41.172 42.059 -0.600 0.000 0.896 656 L HN 0.318 nan 8.230 nan 0.000 0.432 657 Q N -1.557 117.998 119.800 -0.408 0.000 2.119 657 Q HA -0.237 4.103 4.340 0.001 0.000 0.201 657 Q C 2.008 177.878 176.000 -0.218 0.000 0.972 657 Q CA 1.711 57.204 55.803 -0.518 0.000 0.847 657 Q CB -0.153 28.169 28.738 -0.693 0.000 0.903 657 Q HN 0.471 nan 8.270 nan 0.000 0.433 658 Y N 0.725 120.921 120.300 -0.173 0.000 2.176 658 Y HA -0.164 4.386 4.550 0.001 0.000 0.291 658 Y C 1.892 177.767 175.900 -0.043 0.000 1.122 658 Y CA 1.091 59.171 58.100 -0.033 0.000 1.128 658 Y CB 0.064 38.584 38.460 0.100 0.000 1.005 658 Y HN -0.011 nan 8.280 nan 0.000 0.509 659 I N -0.926 119.602 120.570 -0.070 0.000 2.233 659 I HA -0.172 3.999 4.170 0.001 0.000 0.243 659 I C 2.137 178.124 176.117 -0.216 0.000 1.093 659 I CA 1.173 62.383 61.300 -0.151 0.000 1.380 659 I CB -1.177 36.801 38.000 -0.035 0.000 1.067 659 I HN 0.178 nan 8.210 nan 0.000 0.413 660 V N 0.479 120.231 119.914 -0.270 0.000 2.672 660 V HA 0.130 4.251 4.120 0.001 0.000 0.242 660 V C 2.582 178.566 176.094 -0.182 0.000 1.059 660 V CA 1.293 63.417 62.300 -0.292 0.000 1.081 660 V CB -0.861 30.619 31.823 -0.572 0.000 0.752 660 V HN 0.404 nan 8.190 nan 0.000 0.472 661 G N 0.440 109.123 108.800 -0.194 0.000 2.442 661 G HA2 -0.245 3.715 3.960 0.001 0.000 0.219 661 G HA3 -0.245 3.715 3.960 0.001 0.000 0.219 661 G C 1.679 176.622 174.900 0.072 0.000 1.141 661 G CA 0.655 45.729 45.100 -0.043 0.000 0.763 661 G HN 0.432 nan 8.290 nan 0.000 0.554 662 R N 0.765 121.245 120.500 -0.034 0.000 2.276 662 R HA 0.073 4.413 4.340 0.001 0.000 0.203 662 R C 1.327 177.597 176.300 -0.049 0.000 1.017 662 R CA 0.501 56.581 56.100 -0.034 0.000 1.010 662 R CB -0.062 30.156 30.300 -0.137 0.000 0.900 662 R HN 0.441 nan 8.270 nan 0.000 0.469 663 S N 0.481 116.145 115.700 -0.060 0.000 2.562 663 S HA 0.090 4.561 4.470 0.001 0.000 0.281 663 S C 0.877 175.467 174.600 -0.017 0.000 1.333 663 S CA -0.563 57.611 58.200 -0.044 0.000 1.052 663 S CB 1.536 64.711 63.200 -0.042 0.000 0.884 663 S HN 0.174 nan 8.310 nan 0.000 0.506 664 R N 2.023 122.514 120.500 -0.016 0.000 2.120 664 R HA -0.106 4.234 4.340 0.001 0.000 0.234 664 R C 2.121 178.419 176.300 -0.003 0.000 1.123 664 R CA 1.748 57.842 56.100 -0.011 0.000 0.975 664 R CB -0.351 29.943 30.300 -0.010 0.000 0.866 664 R HN 0.907 nan 8.270 nan 0.000 0.446 665 K N 0.473 120.875 120.400 0.004 0.000 2.418 665 K HA -0.060 4.261 4.320 0.001 0.000 0.195 665 K C 0.631 177.247 176.600 0.026 0.000 1.035 665 K CA 0.382 56.678 56.287 0.015 0.000 1.003 665 K CB 0.212 32.725 32.500 0.022 0.000 0.793 665 K HN -0.117 nan 8.250 nan 0.000 0.494 666 Q N 2.010 121.826 119.800 0.026 0.000 2.344 666 Q HA 0.144 4.484 4.340 0.001 0.000 0.253 666 Q C -0.761 175.260 176.000 0.036 0.000 1.050 666 Q CA 0.249 56.078 55.803 0.044 0.000 0.912 666 Q CB 1.016 29.777 28.738 0.039 0.000 1.258 666 Q HN 0.345 nan 8.270 nan 0.000 0.443 667 N N 2.280 121.003 118.700 0.038 0.000 2.227 667 N HA 0.134 4.875 4.740 0.001 0.000 0.196 667 N C -0.802 174.730 175.510 0.038 0.000 1.142 667 N CA -0.253 52.807 53.050 0.016 0.000 0.887 667 N CB 0.547 39.038 38.487 0.007 0.000 1.022 667 N HN 0.411 nan 8.380 nan 0.000 0.500 668 N N 2.274 121.019 118.700 0.075 0.000 2.514 668 N HA 0.183 4.924 4.740 0.001 0.000 0.277 668 N C -2.538 173.053 175.510 0.133 0.000 1.126 668 N CA -1.310 51.799 53.050 0.098 0.000 0.978 668 N CB 0.663 39.222 38.487 0.119 0.000 1.106 668 N HN 0.105 nan 8.380 nan 0.000 0.461 669 P HA 0.159 nan 4.420 nan 0.000 0.271 669 P C -0.739 176.701 177.300 0.233 0.000 1.218 669 P CA -0.057 63.167 63.100 0.207 0.000 0.780 669 P CB 0.900 32.575 31.700 -0.041 0.000 0.901 670 L N 3.614 124.975 121.223 0.230 0.000 2.401 670 L HA 0.465 4.805 4.340 0.001 0.000 0.263 670 L C 0.027 176.872 176.870 -0.041 0.000 1.004 670 L CA -0.361 54.491 54.840 0.019 0.000 0.881 670 L CB 0.788 42.754 42.059 -0.156 0.000 1.219 670 L HN 0.229 nan 8.230 nan 0.000 0.441 671 L N 3.506 124.671 121.223 -0.096 0.000 2.301 671 L HA 0.676 5.017 4.340 0.001 0.000 0.264 671 L C -0.745 176.014 176.870 -0.185 0.000 1.016 671 L CA -0.775 53.967 54.840 -0.164 0.000 0.821 671 L CB 3.137 45.062 42.059 -0.223 0.000 1.346 671 L HN 0.447 nan 8.230 nan 0.000 0.429 672 I N -0.030 120.451 120.570 -0.148 0.000 2.686 672 I HA 0.383 4.553 4.170 0.001 0.000 0.295 672 I C -1.397 174.714 176.117 -0.010 0.000 1.114 672 I CA -0.328 60.920 61.300 -0.087 0.000 1.038 672 I CB 2.371 40.336 38.000 -0.058 0.000 1.238 672 I HN 0.663 nan 8.210 nan 0.000 0.420 673 H N 6.745 125.752 119.070 -0.105 0.000 2.658 673 H HA 0.523 5.079 4.556 0.001 0.000 0.337 673 H C -1.796 173.510 175.328 -0.036 0.000 1.009 673 H CA -0.732 55.271 56.048 -0.075 0.000 1.231 673 H CB 1.864 31.580 29.762 -0.077 0.000 1.508 673 H HN 0.351 nan 8.280 nan 0.000 0.517 674 V N 5.537 125.332 119.914 -0.199 0.000 2.328 674 V HA 0.055 4.175 4.120 0.001 0.000 0.278 674 V C 0.228 176.128 176.094 -0.324 0.000 1.021 674 V CA -0.651 61.534 62.300 -0.191 0.000 0.838 674 V CB 1.116 32.913 31.823 -0.043 0.000 0.999 674 V HN 0.758 nan 8.190 nan 0.000 0.447 675 D N 3.355 123.555 120.400 -0.333 0.000 2.348 675 D HA 0.511 5.151 4.640 0.001 0.000 0.249 675 D C 0.370 176.631 176.300 -0.065 0.000 1.110 675 D CA 0.050 53.898 54.000 -0.253 0.000 0.967 675 D CB 1.745 42.423 40.800 -0.203 0.000 1.139 675 D HN 0.679 nan 8.370 nan 0.000 0.466 676 T N -1.517 113.027 114.554 -0.017 0.000 2.945 676 T HA 0.405 4.756 4.350 0.001 0.000 0.286 676 T C -0.050 174.668 174.700 0.030 0.000 1.025 676 T CA -0.887 61.241 62.100 0.047 0.000 1.039 676 T CB 1.044 69.941 68.868 0.048 0.000 1.068 676 T HN 0.493 nan 8.240 nan 0.000 0.497 677 K N -0.335 120.076 120.400 0.019 0.000 3.077 677 K HA -0.077 4.243 4.320 0.001 0.000 0.264 677 K C -0.018 176.520 176.600 -0.102 0.000 1.008 677 K CA 0.611 56.811 56.287 -0.145 0.000 0.740 677 K CB -2.210 30.234 32.500 -0.094 0.000 1.273 677 K HN 1.047 nan 8.250 nan 0.000 0.477 678 A N -0.866 121.944 122.820 -0.017 0.000 2.594 678 A HA 0.859 5.180 4.320 0.001 0.000 0.291 678 A C 0.193 177.838 177.584 0.102 0.000 1.105 678 A CA -0.123 51.927 52.037 0.022 0.000 0.694 678 A CB 1.922 20.932 19.000 0.017 0.000 1.291 678 A HN 0.264 nan 8.150 nan 0.000 0.410 679 G N -1.313 107.548 108.800 0.102 0.000 3.291 679 G HA2 0.408 4.368 3.960 0.001 0.000 0.173 679 G HA3 0.408 4.368 3.960 0.001 0.000 0.173 679 G C 0.488 175.484 174.900 0.160 0.000 1.099 679 G CA 0.484 45.677 45.100 0.155 0.000 0.794 679 G HN 0.865 nan 8.290 nan 0.000 0.651 680 H N -0.485 118.627 119.070 0.069 0.000 2.456 680 H HA 0.142 4.698 4.556 0.001 0.000 0.296 680 H C 1.926 177.278 175.328 0.040 0.000 1.079 680 H CA 2.659 58.741 56.048 0.056 0.000 1.322 680 H CB 0.260 30.060 29.762 0.064 0.000 1.388 680 H HN 0.823 nan 8.280 nan 0.000 0.538 681 G N -2.003 106.830 108.800 0.054 0.000 3.505 681 G HA2 -0.081 3.879 3.960 0.001 0.000 0.210 681 G HA3 -0.081 3.879 3.960 0.001 0.000 0.210 681 G C 0.312 175.227 174.900 0.026 0.000 1.047 681 G CA -0.102 44.995 45.100 -0.006 0.000 0.884 681 G HN 0.596 nan 8.290 nan 0.000 0.434 682 A N 0.689 123.542 122.820 0.057 0.000 2.511 682 A HA 0.570 4.890 4.320 0.001 0.000 0.242 682 A C 1.931 179.543 177.584 0.047 0.000 1.069 682 A CA 1.910 53.978 52.037 0.051 0.000 0.763 682 A CB -0.264 18.778 19.000 0.069 0.000 1.001 682 A HN 2.427 nan 8.150 nan 0.000 0.498 683 G N 1.268 110.088 108.800 0.033 0.000 2.179 683 G HA2 -0.267 3.694 3.960 0.001 0.000 0.260 683 G HA3 -0.267 3.694 3.960 0.001 0.000 0.260 683 G C 0.430 175.346 174.900 0.027 0.000 0.977 683 G CA 0.418 45.536 45.100 0.030 0.000 0.641 683 G HN 1.144 nan 8.290 nan 0.000 0.533 684 M N 2.887 122.503 119.600 0.027 0.000 2.260 684 M HA 0.273 4.753 4.480 0.001 0.000 0.348 684 M C -1.369 174.947 176.300 0.027 0.000 1.342 684 M CA -0.950 54.364 55.300 0.023 0.000 1.040 684 M CB 0.479 33.090 32.600 0.018 0.000 1.810 684 M HN 0.125 nan 8.290 nan 0.000 0.453 685 P HA 0.078 nan 4.420 nan 0.000 0.272 685 P C 0.014 177.341 177.300 0.045 0.000 1.223 685 P CA -0.152 62.967 63.100 0.031 0.000 0.784 685 P CB 0.434 32.147 31.700 0.021 0.000 0.923 686 T N 1.718 116.313 114.554 0.068 0.000 2.699 686 T HA -0.220 4.130 4.350 0.001 0.000 0.268 686 T C 1.893 176.639 174.700 0.077 0.000 1.036 686 T CA 2.332 64.500 62.100 0.113 0.000 1.147 686 T CB -0.754 68.206 68.868 0.154 0.000 0.862 686 T HN 0.553 nan 8.240 nan 0.000 0.446 687 A N 1.652 124.506 122.820 0.057 0.000 1.908 687 A HA -0.182 4.138 4.320 0.001 0.000 0.218 687 A C 2.287 179.896 177.584 0.041 0.000 1.181 687 A CA 1.748 53.813 52.037 0.047 0.000 0.627 687 A CB -0.451 18.570 19.000 0.036 0.000 0.818 687 A HN 0.474 nan 8.150 nan 0.000 0.445 688 K N -0.620 119.801 120.400 0.034 0.000 2.103 688 K HA -0.006 4.315 4.320 0.001 0.000 0.204 688 K C 1.875 178.490 176.600 0.024 0.000 1.052 688 K CA 1.140 57.446 56.287 0.031 0.000 0.945 688 K CB -0.276 32.238 32.500 0.023 0.000 0.722 688 K HN 0.317 nan 8.250 nan 0.000 0.443 689 V N 1.928 121.848 119.914 0.010 0.000 2.343 689 V HA -0.255 3.866 4.120 0.001 0.000 0.247 689 V C 2.158 178.236 176.094 -0.028 0.000 1.051 689 V CA 1.643 63.928 62.300 -0.024 0.000 1.036 689 V CB -0.361 31.421 31.823 -0.068 0.000 0.654 689 V HN 0.278 nan 8.190 nan 0.000 0.451 690 I N -0.439 120.122 120.570 -0.015 0.000 2.252 690 I HA -0.165 4.005 4.170 0.001 0.000 0.245 690 I C 2.638 178.799 176.117 0.074 0.000 1.102 690 I CA 1.187 62.501 61.300 0.024 0.000 1.385 690 I CB -0.379 37.647 38.000 0.044 0.000 1.064 690 I HN 0.315 nan 8.210 nan 0.000 0.414 691 E N 0.611 120.847 120.200 0.061 0.000 2.072 691 E HA -0.265 4.086 4.350 0.001 0.000 0.191 691 E C 1.931 178.572 176.600 0.068 0.000 0.985 691 E CA 1.178 57.619 56.400 0.069 0.000 0.801 691 E CB -0.278 29.464 29.700 0.070 0.000 0.750 691 E HN 0.549 nan 8.360 nan 0.000 0.452 692 E N 0.849 121.084 120.200 0.058 0.000 2.038 692 E HA -0.169 4.181 4.350 0.001 0.000 0.195 692 E C 2.222 178.839 176.600 0.029 0.000 1.000 692 E CA 2.083 58.511 56.400 0.047 0.000 0.803 692 E CB 0.060 29.777 29.700 0.029 0.000 0.750 692 E HN 0.150 nan 8.360 nan 0.000 0.448 693 V N -1.092 118.859 119.914 0.062 0.000 2.490 693 V HA -0.170 3.951 4.120 0.001 0.000 0.250 693 V C 2.215 178.322 176.094 0.022 0.000 1.061 693 V CA 1.922 64.293 62.300 0.118 0.000 1.064 693 V CB -0.585 31.396 31.823 0.263 0.000 0.670 693 V HN 0.129 nan 8.190 nan 0.000 0.461 694 S N 0.703 116.445 115.700 0.069 0.000 2.368 694 S HA -0.188 4.283 4.470 0.001 0.000 0.225 694 S C 1.715 176.276 174.600 -0.066 0.000 1.030 694 S CA 1.767 59.972 58.200 0.008 0.000 0.999 694 S CB -0.559 62.732 63.200 0.151 0.000 0.844 694 S HN 0.702 nan 8.310 nan 0.000 0.459 695 D N 1.417 121.803 120.400 -0.023 0.000 2.097 695 D HA -0.033 4.607 4.640 0.001 0.000 0.195 695 D C 1.944 178.226 176.300 -0.030 0.000 0.989 695 D CA 1.024 55.014 54.000 -0.017 0.000 0.827 695 D CB -0.328 40.464 40.800 -0.014 0.000 0.966 695 D HN 0.357 nan 8.370 nan 0.000 0.456 696 M N -0.469 119.056 119.600 -0.125 0.000 2.065 696 M HA -0.162 4.319 4.480 0.001 0.000 0.259 696 M C 2.027 178.126 176.300 -0.335 0.000 1.069 696 M CA 1.407 56.553 55.300 -0.256 0.000 1.110 696 M CB -0.360 31.972 32.600 -0.447 0.000 1.328 696 M HN -0.036 nan 8.290 nan 0.000 0.405 697 F N -0.075 119.768 119.950 -0.177 0.000 2.367 697 F HA 0.031 4.559 4.527 0.001 0.000 0.298 697 F C 2.546 178.330 175.800 -0.028 0.000 1.094 697 F CA 0.960 58.854 58.000 -0.176 0.000 1.409 697 F CB -0.870 37.797 39.000 -0.556 0.000 1.064 697 F HN 0.093 nan 8.300 nan 0.000 0.528 698 A N -0.342 122.516 122.820 0.063 0.000 1.929 698 A HA -0.169 4.152 4.320 0.001 0.000 0.216 698 A C 2.063 179.731 177.584 0.140 0.000 1.176 698 A CA 1.060 53.153 52.037 0.093 0.000 0.628 698 A CB -1.231 17.796 19.000 0.044 0.000 0.816 698 A HN 0.356 nan 8.150 nan 0.000 0.444 699 F N 0.812 120.787 119.950 0.041 0.000 2.102 699 F HA -0.158 4.369 4.527 0.001 0.000 0.298 699 F C 1.956 177.842 175.800 0.144 0.000 1.105 699 F CA 1.743 59.819 58.000 0.126 0.000 1.239 699 F CB -0.262 38.794 39.000 0.094 0.000 0.991 699 F HN 0.178 nan 8.300 nan 0.000 0.474 700 I N 0.153 120.825 120.570 0.171 0.000 2.179 700 I HA -0.328 3.843 4.170 0.001 0.000 0.242 700 I C 2.696 178.896 176.117 0.139 0.000 1.088 700 I CA 1.272 62.657 61.300 0.142 0.000 1.357 700 I CB -1.002 37.147 38.000 0.248 0.000 1.051 700 I HN 0.235 nan 8.210 nan 0.000 0.409 701 A N 0.747 123.683 122.820 0.193 0.000 1.908 701 A HA -0.266 4.055 4.320 0.001 0.000 0.218 701 A C 2.416 180.046 177.584 0.077 0.000 1.181 701 A CA 2.083 54.232 52.037 0.186 0.000 0.627 701 A CB -0.645 18.491 19.000 0.227 0.000 0.818 701 A HN 0.370 nan 8.150 nan 0.000 0.445 702 R N -0.825 119.672 120.500 -0.004 0.000 2.066 702 R HA -0.116 4.224 4.340 0.001 0.000 0.232 702 R C 2.162 178.428 176.300 -0.057 0.000 1.131 702 R CA 1.945 57.999 56.100 -0.078 0.000 0.955 702 R CB -0.777 29.387 30.300 -0.227 0.000 0.851 702 R HN 0.532 nan 8.270 nan 0.000 0.432 703 C N 0.416 119.644 119.300 -0.121 0.000 2.425 703 C HA -0.023 4.438 4.460 0.001 0.000 0.277 703 C C 2.183 177.165 174.990 -0.014 0.000 1.280 703 C CA 0.543 59.499 59.018 -0.104 0.000 1.744 703 C CB -0.728 26.823 27.740 -0.315 0.000 1.989 703 C HN 0.512 nan 8.230 nan 0.000 0.491 704 L N 0.452 121.689 121.223 0.022 0.000 2.607 704 L HA 0.167 4.507 4.340 0.001 0.000 0.228 704 L C 0.608 177.519 176.870 0.069 0.000 1.123 704 L CA 0.123 55.003 54.840 0.067 0.000 0.890 704 L CB -0.646 41.484 42.059 0.119 0.000 1.103 704 L HN 0.316 nan 8.230 nan 0.000 0.468 705 N N 1.908 120.642 118.700 0.056 0.000 2.696 705 N HA -0.210 4.530 4.740 0.001 0.000 0.256 705 N C -0.566 174.993 175.510 0.081 0.000 1.031 705 N CA 0.485 53.569 53.050 0.055 0.000 0.730 705 N CB -1.149 37.361 38.487 0.039 0.000 0.894 705 N HN 0.345 nan 8.380 nan 0.000 0.544 706 I N 0.379 121.020 120.570 0.118 0.000 2.385 706 I HA 0.198 4.369 4.170 0.001 0.000 0.294 706 I C 0.578 176.791 176.117 0.159 0.000 0.988 706 I CA -0.776 60.608 61.300 0.140 0.000 1.265 706 I CB 0.903 39.017 38.000 0.191 0.000 1.388 706 I HN 0.073 nan 8.210 nan 0.000 0.480 707 D N 5.328 125.810 120.400 0.138 0.000 2.302 707 D HA 0.052 4.693 4.640 0.001 0.000 0.248 707 D C -0.572 175.869 176.300 0.235 0.000 1.094 707 D CA -0.177 53.923 54.000 0.167 0.000 0.897 707 D CB 1.291 42.160 40.800 0.115 0.000 1.200 707 D HN 0.409 nan 8.370 nan 0.000 0.429 708 W N 3.745 125.089 121.300 0.074 0.000 2.238 708 W HA 0.281 4.941 4.660 0.001 0.000 0.321 708 W C -0.887 175.685 176.519 0.087 0.000 1.293 708 W CA 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