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 1e8m_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLSFQYPDVY RDETAIQDYH GHKVCDPYAW LEDPDSEQTK AFVEAQNKIT DATA SEQUENCE VPFLEQCPIR GLYKERMTEL YDYPKYSCHF KKGKRYFYFY NTGLQNQRVL DATA SEQUENCE YVQDSLEGEA RVFLDPNILS DDGTVALRGY AFSEDGEYFA YGLSASGSDW DATA SEQUENCE VTIKFMKVDG AKELPDVLER VKFSCMAWTH DGKGMFYNAY PQQDGKSDGT DATA SEQUENCE ETSTNLHQKL YYHVLGTDQS EDILCAEFPD EPKWMGGAEL SDDGRYVLLS DATA SEQUENCE IREGCDPVNR LWYCDLQQES NGITGILKWV KLIDNFEGEY DYVTNEGTVF DATA SEQUENCE TFKTNRHSPN YRLINIDFTD PEESKWKVLV PEHEKDVLEW VACVRSNFLV DATA SEQUENCE LCYLHDVKNT LQLHDLATGA LLKIFPLEVG SVVGYSGQKK DTEIFYQFTS DATA SEQUENCE FLSPGIIYHC DLTKEELEPR VFREVTVKGI DASDYQTVQI FYPSKDGTKI DATA SEQUENCE PMFIVHKKGI KLDGSHPAFL YGYGGFNISI TPNYSVSRLI FVRHMGGVLA DATA SEQUENCE VANIRGGGEY GETWHKGGIL ANKQNCFDDF QCAAEYLIKE GYTSPKRLTI DATA SEQUENCE NGGANGGLLV ATCANQRPDL FGCVIAQVGV MDMLKFHKYT IGHAWTTDYG DATA SEQUENCE CSDSKQHFEW LIKYSPLHNV KLPEADDIQY PSMLLLTADH DDRVVPLHSL DATA SEQUENCE KFIATLQYIV GRSRKQNNPL LIHVDTKAGH GAGKPTAKVI EEVSDMFAFI DATA SEQUENCE ARCLNIDWIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.337 176.300 0.062 0.000 1.140 1 M CA 0.000 55.328 55.300 0.046 0.000 0.988 1 M CB 0.000 32.654 32.600 0.091 0.000 1.302 2 L N 2.416 123.597 121.223 -0.070 0.000 2.401 2 L HA 0.304 4.645 4.340 0.001 0.000 0.283 2 L C 0.781 177.416 176.870 -0.393 0.000 1.151 2 L CA 0.442 55.061 54.840 -0.368 0.000 0.942 2 L CB 0.189 41.877 42.059 -0.618 0.000 1.283 2 L HN 0.480 nan 8.230 nan 0.000 0.442 3 S N 1.393 116.971 115.700 -0.204 0.000 2.614 3 S HA 0.237 4.707 4.470 0.001 0.000 0.230 3 S C 0.123 174.690 174.600 -0.054 0.000 0.952 3 S CA -0.644 57.494 58.200 -0.103 0.000 0.949 3 S CB -0.578 62.627 63.200 0.008 0.000 0.786 3 S HN 0.311 nan 8.310 nan 0.000 0.478 4 F N 0.286 120.199 119.950 -0.062 0.000 2.594 4 F HA 0.808 5.335 4.527 0.001 0.000 0.335 4 F C -0.423 175.254 175.800 -0.205 0.000 1.058 4 F CA -1.416 56.521 58.000 -0.104 0.000 0.981 4 F CB 0.859 39.804 39.000 -0.092 0.000 1.289 4 F HN -0.116 nan 8.300 nan 0.000 0.490 5 Q N 0.733 120.620 119.800 0.145 0.000 2.353 5 Q HA 0.334 4.675 4.340 0.001 0.000 0.268 5 Q C -1.748 174.305 176.000 0.088 0.000 1.045 5 Q CA -1.068 54.736 55.803 0.003 0.000 0.811 5 Q CB 2.458 31.204 28.738 0.013 0.000 1.305 5 Q HN 0.622 nan 8.270 nan 0.000 0.447 6 Y N 1.559 121.973 120.300 0.190 0.000 2.497 6 Y HA 0.130 4.681 4.550 0.001 0.000 0.334 6 Y C -1.720 174.217 175.900 0.062 0.000 1.199 6 Y CA -1.704 56.462 58.100 0.111 0.000 1.425 6 Y CB -0.347 38.165 38.460 0.088 0.000 1.291 6 Y HN 0.411 nan 8.280 nan 0.000 0.562 7 P HA 0.019 nan 4.420 nan 0.000 0.269 7 P C -0.855 176.538 177.300 0.155 0.000 1.215 7 P CA -0.225 62.939 63.100 0.107 0.000 0.780 7 P CB 0.605 32.301 31.700 -0.006 0.000 0.898 8 D N 0.669 121.163 120.400 0.157 0.000 2.390 8 D HA 0.193 4.833 4.640 0.001 0.000 0.249 8 D C -0.460 175.999 176.300 0.265 0.000 1.144 8 D CA 0.396 54.513 54.000 0.196 0.000 0.880 8 D CB 0.509 41.407 40.800 0.162 0.000 1.182 8 D HN -0.060 nan 8.370 nan 0.000 0.451 9 V N 3.580 123.692 119.914 0.330 0.000 2.488 9 V HA 0.055 4.175 4.120 0.001 0.000 0.293 9 V C -0.513 175.897 176.094 0.526 0.000 1.027 9 V CA -1.073 61.528 62.300 0.501 0.000 0.862 9 V CB 1.217 33.322 31.823 0.469 0.000 1.008 9 V HN 0.420 nan 8.190 nan 0.000 0.428 10 Y N 5.439 125.979 120.300 0.400 0.000 2.610 10 Y HA 0.306 4.856 4.550 0.001 0.000 0.332 10 Y C 0.716 176.847 175.900 0.385 0.000 1.201 10 Y CA 0.158 58.395 58.100 0.228 0.000 1.465 10 Y CB 0.500 38.912 38.460 -0.081 0.000 1.283 10 Y HN 0.558 nan 8.280 nan 0.000 0.563 11 R N 4.622 124.724 120.500 -0.663 0.000 2.265 11 R HA 0.125 4.466 4.340 0.001 0.000 0.328 11 R C -1.184 174.579 176.300 -0.895 0.000 0.969 11 R CA -0.823 54.879 56.100 -0.664 0.000 0.832 11 R CB 0.651 30.567 30.300 -0.639 0.000 1.139 11 R HN 0.607 nan 8.270 nan 0.000 0.457 12 D N 3.181 123.341 120.400 -0.401 0.000 2.453 12 D HA 0.004 4.645 4.640 0.001 0.000 0.223 12 D C 0.366 176.568 176.300 -0.164 0.000 1.183 12 D CA 0.027 53.935 54.000 -0.153 0.000 0.933 12 D CB 0.654 41.556 40.800 0.171 0.000 1.038 12 D HN 0.480 nan 8.370 nan 0.000 0.513 13 E N 1.160 121.244 120.200 -0.192 0.000 2.516 13 E HA -0.091 4.260 4.350 0.001 0.000 0.199 13 E C 1.338 177.905 176.600 -0.056 0.000 1.069 13 E CA 0.667 56.988 56.400 -0.131 0.000 0.876 13 E CB 0.122 29.744 29.700 -0.129 0.000 0.843 13 E HN 0.545 nan 8.360 nan 0.000 0.530 14 T N -2.124 112.416 114.554 -0.023 0.000 3.081 14 T HA 0.238 4.589 4.350 0.001 0.000 0.250 14 T C 1.064 175.768 174.700 0.007 0.000 1.100 14 T CA -0.006 62.094 62.100 0.001 0.000 1.038 14 T CB 0.300 69.179 68.868 0.019 0.000 0.962 14 T HN 0.051 nan 8.240 nan 0.000 0.516 15 A N 2.820 125.643 122.820 0.005 0.000 2.797 15 A HA 0.555 4.876 4.320 0.001 0.000 0.296 15 A C -0.111 177.485 177.584 0.021 0.000 1.580 15 A CA -0.489 51.559 52.037 0.019 0.000 1.277 15 A CB -0.822 18.195 19.000 0.028 0.000 1.101 15 A HN 0.516 nan 8.150 nan 0.000 0.562 16 I N 1.249 121.831 120.570 0.020 0.000 2.465 16 I HA 0.432 4.602 4.170 0.001 0.000 0.291 16 I C -0.025 176.102 176.117 0.016 0.000 1.014 16 I CA -0.312 61.007 61.300 0.032 0.000 1.093 16 I CB 1.485 39.498 38.000 0.021 0.000 1.267 16 I HN 0.730 nan 8.210 nan 0.000 0.431 17 Q N 3.553 123.377 119.800 0.040 0.000 2.375 17 Q HA 0.405 4.746 4.340 0.001 0.000 0.271 17 Q C -1.581 174.389 176.000 -0.050 0.000 1.074 17 Q CA -0.677 55.092 55.803 -0.056 0.000 0.808 17 Q CB 2.820 31.486 28.738 -0.119 0.000 1.327 17 Q HN 0.669 nan 8.270 nan 0.000 0.441 18 D N 1.838 122.132 120.400 -0.177 0.000 2.274 18 D HA 0.232 4.872 4.640 0.001 0.000 0.239 18 D C -1.667 174.411 176.300 -0.370 0.000 1.104 18 D CA -0.111 53.796 54.000 -0.155 0.000 0.840 18 D CB 0.544 41.261 40.800 -0.138 0.000 1.100 18 D HN 0.368 nan 8.370 nan 0.000 0.477 19 Y N 4.082 124.146 120.300 -0.392 0.000 2.587 19 Y HA 0.239 4.789 4.550 0.001 0.000 0.328 19 Y C 0.039 175.488 175.900 -0.751 0.000 0.980 19 Y CA -0.656 56.976 58.100 -0.781 0.000 1.272 19 Y CB 0.329 38.107 38.460 -1.137 0.000 1.094 19 Y HN 0.559 nan 8.280 nan 0.000 0.503 20 H N 1.735 120.640 119.070 -0.276 0.000 2.713 20 H HA -0.222 4.334 4.556 0.001 0.000 0.311 20 H C 1.447 176.708 175.328 -0.113 0.000 1.175 20 H CA 1.021 56.952 56.048 -0.194 0.000 1.143 20 H CB -1.428 28.205 29.762 -0.215 0.000 1.434 20 H HN 1.069 nan 8.280 nan 0.000 0.418 21 G N -0.751 108.024 108.800 -0.042 0.000 2.241 21 G HA2 -0.323 3.637 3.960 0.001 0.000 0.244 21 G HA3 -0.323 3.637 3.960 0.001 0.000 0.244 21 G C 0.027 174.953 174.900 0.044 0.000 0.998 21 G CA 0.414 45.515 45.100 0.002 0.000 0.621 21 G HN 0.763 nan 8.290 nan 0.000 0.519 22 H N 2.020 121.061 119.070 -0.049 0.000 2.652 22 H HA 0.500 5.056 4.556 0.001 0.000 0.298 22 H C -0.058 175.293 175.328 0.037 0.000 1.076 22 H CA -0.130 55.934 56.048 0.026 0.000 1.360 22 H CB 0.670 30.491 29.762 0.098 0.000 1.421 22 H HN 0.028 nan 8.280 nan 0.000 0.464 23 K N 4.807 125.364 120.400 0.262 0.000 2.297 23 K HA 0.219 4.539 4.320 0.001 0.000 0.286 23 K C -0.622 176.174 176.600 0.326 0.000 1.053 23 K CA -0.624 55.790 56.287 0.213 0.000 0.940 23 K CB 1.549 34.108 32.500 0.098 0.000 1.019 23 K HN 0.290 nan 8.250 nan 0.000 0.475 24 V N 3.802 123.881 119.914 0.276 0.000 2.444 24 V HA 0.192 4.313 4.120 0.001 0.000 0.294 24 V C -0.116 176.090 176.094 0.187 0.000 1.022 24 V CA -0.957 61.488 62.300 0.241 0.000 0.850 24 V CB 1.610 33.550 31.823 0.196 0.000 0.992 24 V HN 0.797 nan 8.190 nan 0.000 0.426 25 C N 3.351 122.740 119.300 0.149 0.000 2.388 25 C HA 0.514 4.974 4.460 0.001 0.000 0.362 25 C C 0.471 175.511 174.990 0.084 0.000 1.266 25 C CA -0.276 58.793 59.018 0.085 0.000 2.028 25 C CB 0.517 28.283 27.740 0.043 0.000 2.440 25 C HN 0.923 nan 8.230 nan 0.000 0.547 26 D N 2.553 122.976 120.400 0.038 0.000 2.513 26 D HA 0.263 4.904 4.640 0.001 0.000 0.295 26 D C -1.186 175.052 176.300 -0.103 0.000 1.202 26 D CA -1.268 52.742 54.000 0.016 0.000 0.849 26 D CB 0.727 41.581 40.800 0.091 0.000 1.116 26 D HN 0.299 nan 8.370 nan 0.000 0.502 27 P HA -0.147 nan 4.420 nan 0.000 0.223 27 P C 0.242 177.224 177.300 -0.531 0.000 1.144 27 P CA 0.812 63.626 63.100 -0.478 0.000 0.783 27 P CB 0.068 31.314 31.700 -0.756 0.000 0.771 28 Y N -1.134 119.052 120.300 -0.190 0.000 2.681 28 Y HA 0.506 5.057 4.550 0.001 0.000 0.267 28 Y C 2.282 177.826 175.900 -0.592 0.000 1.166 28 Y CA -0.554 57.212 58.100 -0.557 0.000 1.209 28 Y CB -0.893 37.232 38.460 -0.559 0.000 1.161 28 Y HN -0.069 nan 8.280 nan 0.000 0.534 29 A N 1.216 123.942 122.820 -0.156 0.000 1.986 29 A HA -0.195 4.126 4.320 0.001 0.000 0.220 29 A C 1.903 179.458 177.584 -0.048 0.000 1.171 29 A CA 1.723 53.723 52.037 -0.063 0.000 0.640 29 A CB -1.057 17.970 19.000 0.046 0.000 0.811 29 A HN 0.813 nan 8.150 nan 0.000 0.451 30 W N -0.552 120.753 121.300 0.008 0.000 2.468 30 W HA -0.026 4.634 4.660 0.001 0.000 0.262 30 W C 0.939 177.429 176.519 -0.049 0.000 1.241 30 W CA 0.574 57.918 57.345 -0.002 0.000 1.232 30 W CB -1.022 28.458 29.460 0.034 0.000 1.124 30 W HN 0.241 nan 8.180 nan 0.000 0.597 31 L N 1.190 122.075 121.223 -0.564 0.000 2.622 31 L HA -0.067 4.274 4.340 0.001 0.000 0.233 31 L C 2.120 178.815 176.870 -0.292 0.000 1.156 31 L CA 0.994 55.496 54.840 -0.564 0.000 0.866 31 L CB -0.486 41.002 42.059 -0.952 0.000 0.980 31 L HN -0.013 nan 8.230 nan 0.000 0.448 32 E N -0.602 119.476 120.200 -0.203 0.000 2.347 32 E HA -0.135 4.216 4.350 0.001 0.000 0.196 32 E C 0.390 176.920 176.600 -0.117 0.000 1.008 32 E CA 0.266 56.548 56.400 -0.196 0.000 0.852 32 E CB 0.104 29.732 29.700 -0.120 0.000 0.783 32 E HN 0.220 nan 8.360 nan 0.000 0.505 33 D N 0.644 121.027 120.400 -0.029 0.000 2.428 33 D HA 0.035 4.676 4.640 0.001 0.000 0.221 33 D C -1.612 174.692 176.300 0.007 0.000 1.123 33 D CA -2.576 51.430 54.000 0.011 0.000 0.869 33 D CB 1.173 42.012 40.800 0.066 0.000 1.032 33 D HN -0.109 nan 8.370 nan 0.000 0.506 34 P HA -0.045 nan 4.420 nan 0.000 0.226 34 P C 0.183 177.492 177.300 0.014 0.000 1.153 34 P CA 0.641 63.733 63.100 -0.014 0.000 0.777 34 P CB 0.641 32.316 31.700 -0.041 0.000 0.794 35 D N -0.228 120.184 120.400 0.020 0.000 2.350 35 D HA 0.005 4.646 4.640 0.001 0.000 0.213 35 D C 0.994 177.318 176.300 0.041 0.000 1.031 35 D CA 0.372 54.388 54.000 0.026 0.000 0.861 35 D CB 0.151 40.961 40.800 0.017 0.000 0.926 35 D HN 0.266 nan 8.370 nan 0.000 0.520 36 S N 0.761 116.497 115.700 0.060 0.000 2.585 36 S HA 0.073 4.543 4.470 0.001 0.000 0.273 36 S C 1.263 175.907 174.600 0.073 0.000 1.339 36 S CA -0.478 57.761 58.200 0.064 0.000 1.028 36 S CB 1.971 65.225 63.200 0.089 0.000 0.906 36 S HN -0.135 nan 8.310 nan 0.000 0.528 37 E N 1.741 121.969 120.200 0.047 0.000 2.153 37 E HA -0.163 4.188 4.350 0.001 0.000 0.194 37 E C 1.991 178.636 176.600 0.076 0.000 0.988 37 E CA 1.360 57.788 56.400 0.047 0.000 0.811 37 E CB -0.433 29.277 29.700 0.016 0.000 0.746 37 E HN 0.790 nan 8.360 nan 0.000 0.466 38 Q N -0.108 119.732 119.800 0.067 0.000 2.050 38 Q HA -0.069 4.272 4.340 0.001 0.000 0.202 38 Q C 2.241 178.451 176.000 0.350 0.000 0.980 38 Q CA 1.888 57.746 55.803 0.093 0.000 0.840 38 Q CB -0.499 28.162 28.738 -0.129 0.000 0.898 38 Q HN 0.169 nan 8.270 nan 0.000 0.424 39 T N 0.721 115.485 114.554 0.350 0.000 2.777 39 T HA -0.092 4.259 4.350 0.001 0.000 0.266 39 T C 1.512 176.374 174.700 0.270 0.000 1.040 39 T CA 1.170 63.464 62.100 0.323 0.000 1.141 39 T CB -0.096 68.876 68.868 0.173 0.000 0.868 39 T HN 0.204 nan 8.240 nan 0.000 0.444 40 K N 1.217 121.728 120.400 0.185 0.000 2.057 40 K HA 0.023 4.343 4.320 0.001 0.000 0.207 40 K C 2.643 179.339 176.600 0.160 0.000 1.049 40 K CA 1.208 57.582 56.287 0.145 0.000 0.931 40 K CB -0.263 32.294 32.500 0.095 0.000 0.714 40 K HN 0.272 nan 8.250 nan 0.000 0.440 41 A N 1.027 123.951 122.820 0.174 0.000 1.930 41 A HA -0.164 4.156 4.320 0.001 0.000 0.217 41 A C 1.972 179.673 177.584 0.194 0.000 1.175 41 A CA 1.046 53.174 52.037 0.152 0.000 0.627 41 A CB -0.631 18.447 19.000 0.129 0.000 0.815 41 A HN 0.364 nan 8.150 nan 0.000 0.443 42 F N 0.713 120.748 119.950 0.141 0.000 2.075 42 F HA -0.167 4.360 4.527 0.001 0.000 0.297 42 F C 2.211 178.051 175.800 0.065 0.000 1.113 42 F CA 2.106 60.187 58.000 0.135 0.000 1.218 42 F CB -0.325 38.786 39.000 0.185 0.000 0.984 42 F HN 0.027 nan 8.300 nan 0.000 0.472 43 V N 0.647 120.711 119.914 0.250 0.000 2.287 43 V HA -0.292 3.829 4.120 0.001 0.000 0.248 43 V C 2.501 178.595 176.094 0.000 0.000 1.053 43 V CA 2.297 64.660 62.300 0.105 0.000 1.027 43 V CB -0.728 31.189 31.823 0.157 0.000 0.646 43 V HN 0.404 nan 8.190 nan 0.000 0.447 44 E N 0.117 120.336 120.200 0.032 0.000 2.058 44 E HA -0.245 4.106 4.350 0.001 0.000 0.194 44 E C 2.309 178.889 176.600 -0.035 0.000 0.997 44 E CA 1.623 58.031 56.400 0.014 0.000 0.801 44 E CB -0.170 29.552 29.700 0.035 0.000 0.746 44 E HN 0.554 nan 8.360 nan 0.000 0.450 45 A N 0.948 123.729 122.820 -0.065 0.000 1.933 45 A HA -0.191 4.130 4.320 0.001 0.000 0.218 45 A C 2.089 179.572 177.584 -0.169 0.000 1.175 45 A CA 1.170 53.149 52.037 -0.097 0.000 0.628 45 A CB -0.300 18.651 19.000 -0.083 0.000 0.814 45 A HN 0.192 nan 8.150 nan 0.000 0.444 46 Q N 0.024 119.658 119.800 -0.277 0.000 2.049 46 Q HA -0.108 4.232 4.340 0.001 0.000 0.198 46 Q C 1.731 177.618 176.000 -0.188 0.000 0.971 46 Q CA 1.354 56.978 55.803 -0.298 0.000 0.833 46 Q CB -0.562 27.919 28.738 -0.429 0.000 0.896 46 Q HN 0.635 nan 8.270 nan 0.000 0.434 47 N N 1.188 119.823 118.700 -0.108 0.000 2.223 47 N HA -0.158 4.583 4.740 0.001 0.000 0.185 47 N C 1.608 177.053 175.510 -0.108 0.000 1.016 47 N CA 1.135 54.148 53.050 -0.062 0.000 0.863 47 N CB -0.167 38.354 38.487 0.058 0.000 0.983 47 N HN 0.162 nan 8.380 nan 0.000 0.429 48 K N 1.737 122.084 120.400 -0.088 0.000 2.152 48 K HA -0.062 4.258 4.320 0.001 0.000 0.206 48 K C 1.820 178.358 176.600 -0.103 0.000 1.048 48 K CA 1.068 57.312 56.287 -0.072 0.000 0.933 48 K CB -0.252 32.221 32.500 -0.046 0.000 0.721 48 K HN 0.442 nan 8.250 nan 0.000 0.447 49 I N -3.559 116.908 120.570 -0.171 0.000 2.867 49 I HA 0.060 4.231 4.170 0.001 0.000 0.265 49 I C 1.459 177.382 176.117 -0.323 0.000 1.162 49 I CA 0.588 61.728 61.300 -0.267 0.000 1.471 49 I CB -0.462 37.279 38.000 -0.431 0.000 1.123 49 I HN -0.103 nan 8.210 nan 0.000 0.440 50 T N 1.723 116.099 114.554 -0.298 0.000 2.737 50 T HA -0.054 4.296 4.350 0.001 0.000 0.265 50 T C 2.116 176.708 174.700 -0.181 0.000 1.038 50 T CA 1.715 63.657 62.100 -0.263 0.000 1.144 50 T CB -0.272 68.413 68.868 -0.305 0.000 0.866 50 T HN 0.195 nan 8.240 nan 0.000 0.434 51 V N 2.247 122.013 119.914 -0.246 0.000 2.287 51 V HA -0.113 4.007 4.120 0.001 0.000 0.248 51 V C -0.506 175.554 176.094 -0.057 0.000 1.053 51 V CA 1.760 63.943 62.300 -0.196 0.000 1.027 51 V CB -1.514 30.205 31.823 -0.173 0.000 0.646 51 V HN 0.365 nan 8.190 nan 0.000 0.447 52 P HA -0.137 nan 4.420 nan 0.000 0.219 52 P C 1.687 179.024 177.300 0.061 0.000 1.150 52 P CA 1.195 64.306 63.100 0.019 0.000 0.814 52 P CB -0.102 31.617 31.700 0.032 0.000 0.787 53 F N 0.148 120.078 119.950 -0.034 0.000 2.134 53 F HA -0.142 4.386 4.527 0.001 0.000 0.299 53 F C 1.802 177.635 175.800 0.056 0.000 1.097 53 F CA 1.487 59.511 58.000 0.040 0.000 1.264 53 F CB -0.638 38.384 39.000 0.036 0.000 1.001 53 F HN -0.243 nan 8.300 nan 0.000 0.479 54 L N -0.430 120.879 121.223 0.143 0.000 2.240 54 L HA -0.092 4.249 4.340 0.001 0.000 0.211 54 L C 1.854 178.717 176.870 -0.011 0.000 1.106 54 L CA 1.178 56.070 54.840 0.086 0.000 0.793 54 L CB -0.520 41.600 42.059 0.102 0.000 0.927 54 L HN 0.137 nan 8.230 nan 0.000 0.446 55 E N -0.763 119.423 120.200 -0.025 0.000 2.472 55 E HA -0.122 4.229 4.350 0.001 0.000 0.196 55 E C 1.748 178.318 176.600 -0.051 0.000 1.033 55 E CA -0.103 56.279 56.400 -0.030 0.000 0.886 55 E CB 0.327 30.018 29.700 -0.016 0.000 0.944 55 E HN 0.262 nan 8.360 nan 0.000 0.492 56 Q N 0.685 120.435 119.800 -0.083 0.000 2.030 56 Q HA -0.115 4.226 4.340 0.001 0.000 0.204 56 Q C 0.386 176.335 176.000 -0.084 0.000 0.986 56 Q CA 1.216 56.967 55.803 -0.086 0.000 0.843 56 Q CB -0.138 28.528 28.738 -0.119 0.000 0.904 56 Q HN 0.199 nan 8.270 nan 0.000 0.420 57 C N 1.591 120.827 119.300 -0.107 0.000 2.536 57 C HA 0.220 4.680 4.460 0.001 0.000 0.396 57 C C -1.108 173.843 174.990 -0.065 0.000 1.279 57 C CA -1.137 57.833 59.018 -0.080 0.000 2.148 57 C CB 0.627 28.315 27.740 -0.086 0.000 2.584 57 C HN 0.486 nan 8.230 nan 0.000 0.579 58 P HA -0.119 nan 4.420 nan 0.000 0.221 58 P C 1.457 178.679 177.300 -0.130 0.000 1.145 58 P CA 0.907 63.958 63.100 -0.083 0.000 0.795 58 P CB -0.022 31.635 31.700 -0.070 0.000 0.775 59 I N -0.563 119.949 120.570 -0.097 0.000 2.264 59 I HA -0.281 3.889 4.170 0.001 0.000 0.248 59 I C 2.454 178.503 176.117 -0.112 0.000 1.111 59 I CA 1.432 62.660 61.300 -0.121 0.000 1.382 59 I CB -0.066 37.964 38.000 0.049 0.000 1.060 59 I HN -0.193 nan 8.210 nan 0.000 0.418 60 R N 0.314 120.786 120.500 -0.047 0.000 2.073 60 R HA -0.151 4.189 4.340 0.001 0.000 0.234 60 R C 2.262 178.549 176.300 -0.021 0.000 1.134 60 R CA 1.656 57.756 56.100 0.001 0.000 0.952 60 R CB -0.725 29.580 30.300 0.008 0.000 0.850 60 R HN 0.514 nan 8.270 nan 0.000 0.433 61 G N 0.776 109.528 108.800 -0.080 0.000 2.408 61 G HA2 -0.202 3.759 3.960 0.001 0.000 0.217 61 G HA3 -0.202 3.759 3.960 0.001 0.000 0.217 61 G C 1.466 176.253 174.900 -0.188 0.000 1.150 61 G CA 0.469 45.511 45.100 -0.096 0.000 0.776 61 G HN 0.221 nan 8.290 nan 0.000 0.542 62 L N -1.137 119.868 121.223 -0.363 0.000 2.027 62 L HA -0.053 4.288 4.340 0.001 0.000 0.206 62 L C 2.557 178.977 176.870 -0.749 0.000 1.074 62 L CA 1.214 55.637 54.840 -0.696 0.000 0.745 62 L CB -0.488 40.792 42.059 -1.297 0.000 0.898 62 L HN 0.265 nan 8.230 nan 0.000 0.433 63 Y N 1.035 120.914 120.300 -0.701 0.000 2.145 63 Y HA -0.317 4.234 4.550 0.001 0.000 0.286 63 Y C 2.754 178.599 175.900 -0.092 0.000 1.145 63 Y CA 1.956 59.882 58.100 -0.291 0.000 1.148 63 Y CB -0.119 38.332 38.460 -0.016 0.000 0.981 63 Y HN 0.014 nan 8.280 nan 0.000 0.507 64 K N 0.371 120.844 120.400 0.121 0.000 2.063 64 K HA -0.283 4.037 4.320 0.001 0.000 0.208 64 K C 2.221 178.814 176.600 -0.011 0.000 1.048 64 K CA 1.959 58.303 56.287 0.095 0.000 0.928 64 K CB -0.321 32.225 32.500 0.077 0.000 0.713 64 K HN 0.546 nan 8.250 nan 0.000 0.442 65 E N 0.108 120.266 120.200 -0.070 0.000 2.072 65 E HA -0.241 4.109 4.350 0.001 0.000 0.191 65 E C 2.146 178.712 176.600 -0.057 0.000 0.985 65 E CA 0.989 57.353 56.400 -0.060 0.000 0.801 65 E CB 0.005 29.655 29.700 -0.083 0.000 0.750 65 E HN 0.110 nan 8.360 nan 0.000 0.452 66 R N 0.254 120.690 120.500 -0.107 0.000 2.092 66 R HA -0.109 4.231 4.340 0.001 0.000 0.231 66 R C 2.227 178.475 176.300 -0.086 0.000 1.119 66 R CA 1.658 57.707 56.100 -0.086 0.000 0.970 66 R CB -0.456 29.792 30.300 -0.086 0.000 0.864 66 R HN 0.267 nan 8.270 nan 0.000 0.440 67 M N -0.466 119.039 119.600 -0.159 0.000 2.117 67 M HA -0.081 4.399 4.480 0.001 0.000 0.262 67 M C 1.656 177.995 176.300 0.066 0.000 1.065 67 M CA 1.983 57.234 55.300 -0.081 0.000 1.114 67 M CB -0.512 32.044 32.600 -0.074 0.000 1.361 67 M HN 0.114 nan 8.290 nan 0.000 0.408 68 T N 0.452 115.037 114.554 0.052 0.000 2.788 68 T HA -0.127 4.224 4.350 0.001 0.000 0.268 68 T C 1.627 176.388 174.700 0.101 0.000 1.044 68 T CA 1.811 63.964 62.100 0.088 0.000 1.139 68 T CB -0.248 68.651 68.868 0.052 0.000 0.867 68 T HN 0.540 nan 8.240 nan 0.000 0.454 69 E N 0.680 120.924 120.200 0.072 0.000 2.028 69 E HA 0.023 4.373 4.350 0.001 0.000 0.190 69 E C 2.240 178.911 176.600 0.119 0.000 0.984 69 E CA 0.811 57.258 56.400 0.078 0.000 0.800 69 E CB -0.198 29.534 29.700 0.054 0.000 0.758 69 E HN 0.373 nan 8.360 nan 0.000 0.448 70 L N -0.087 121.214 121.223 0.131 0.000 2.141 70 L HA -0.143 4.198 4.340 0.001 0.000 0.209 70 L C 2.335 179.396 176.870 0.318 0.000 1.094 70 L CA 0.730 55.676 54.840 0.177 0.000 0.763 70 L CB -0.224 41.912 42.059 0.129 0.000 0.908 70 L HN 0.198 nan 8.230 nan 0.000 0.437 71 Y N 0.384 120.796 120.300 0.186 0.000 2.561 71 Y HA -0.072 4.478 4.550 0.001 0.000 0.291 71 Y C 1.015 177.008 175.900 0.154 0.000 1.141 71 Y CA 0.147 58.393 58.100 0.243 0.000 1.303 71 Y CB -0.120 38.406 38.460 0.110 0.000 1.015 71 Y HN 0.065 nan 8.280 nan 0.000 0.547 72 D N 1.231 121.707 120.400 0.126 0.000 2.551 72 D HA 0.059 4.699 4.640 0.001 0.000 0.223 72 D C -1.282 175.059 176.300 0.069 0.000 1.144 72 D CA 0.181 54.186 54.000 0.008 0.000 1.025 72 D CB -1.118 39.714 40.800 0.053 0.000 1.085 72 D HN 0.356 nan 8.370 nan 0.000 0.506 73 Y N -0.513 119.706 120.300 -0.135 0.000 2.534 73 Y HA 0.672 5.223 4.550 0.001 0.000 0.345 73 Y C -3.004 172.840 175.900 -0.092 0.000 1.031 73 Y CA -3.195 54.859 58.100 -0.077 0.000 1.022 73 Y CB 0.628 39.061 38.460 -0.044 0.000 1.292 73 Y HN -0.083 nan 8.280 nan 0.000 0.459 74 P HA 0.158 nan 4.420 nan 0.000 0.267 74 P C -1.282 176.023 177.300 0.009 0.000 1.209 74 P CA 0.047 63.176 63.100 0.049 0.000 0.763 74 P CB 0.468 32.315 31.700 0.246 0.000 0.816 75 K N 3.542 123.846 120.400 -0.160 0.000 2.483 75 K HA 0.396 4.716 4.320 0.001 0.000 0.256 75 K C -0.916 175.715 176.600 0.051 0.000 0.961 75 K CA -0.470 55.782 56.287 -0.058 0.000 0.873 75 K CB 1.051 33.418 32.500 -0.222 0.000 1.107 75 K HN 0.390 nan 8.250 nan 0.000 0.432 76 Y N 0.199 120.656 120.300 0.260 0.000 2.487 76 Y HA 0.295 4.846 4.550 0.001 0.000 0.337 76 Y C 0.803 176.863 175.900 0.267 0.000 1.076 76 Y CA -0.682 57.589 58.100 0.285 0.000 1.115 76 Y CB 1.976 40.504 38.460 0.113 0.000 1.235 76 Y HN 0.543 nan 8.280 nan 0.000 0.468 77 S N 0.511 116.524 115.700 0.522 0.000 2.722 77 S HA 0.638 5.109 4.470 0.001 0.000 0.292 77 S C -0.171 174.664 174.600 0.393 0.000 1.135 77 S CA -1.004 57.459 58.200 0.439 0.000 1.003 77 S CB 0.585 64.118 63.200 0.554 0.000 1.067 77 S HN 0.804 nan 8.310 nan 0.000 0.546 78 C N 0.785 120.278 119.300 0.321 0.000 2.595 78 C HA 0.570 5.031 4.460 0.001 0.000 0.384 78 C C 0.644 175.719 174.990 0.142 0.000 1.289 78 C CA -0.821 58.321 59.018 0.206 0.000 2.372 78 C CB -1.336 26.535 27.740 0.218 0.000 2.593 78 C HN 0.900 nan 8.230 nan 0.000 0.639 79 H N 0.479 119.232 119.070 -0.528 0.000 2.679 79 H HA 0.534 5.090 4.556 0.001 0.000 0.369 79 H C -0.119 175.033 175.328 -0.294 0.000 1.178 79 H CA 0.438 56.132 56.048 -0.590 0.000 1.419 79 H CB 0.312 29.256 29.762 -1.363 0.000 1.458 79 H HN 0.719 nan 8.280 nan 0.000 0.605 80 F N -1.218 118.723 119.950 -0.016 0.000 2.608 80 F HA 0.490 5.017 4.527 0.001 0.000 0.309 80 F C -0.933 174.900 175.800 0.056 0.000 1.103 80 F CA -1.252 56.780 58.000 0.053 0.000 0.954 80 F CB 1.287 40.324 39.000 0.062 0.000 1.267 80 F HN 0.246 nan 8.300 nan 0.000 0.444 81 K N 2.769 123.236 120.400 0.111 0.000 2.159 81 K HA 0.525 4.845 4.320 0.001 0.000 0.266 81 K C -1.185 175.347 176.600 -0.112 0.000 0.975 81 K CA -0.835 55.313 56.287 -0.231 0.000 0.865 81 K CB 1.036 33.269 32.500 -0.446 0.000 1.087 81 K HN 0.652 nan 8.250 nan 0.000 0.446 82 K N 2.374 122.654 120.400 -0.201 0.000 2.578 82 K HA 0.294 4.615 4.320 0.001 0.000 0.250 82 K C 0.022 176.526 176.600 -0.160 0.000 0.955 82 K CA -0.165 55.979 56.287 -0.238 0.000 0.825 82 K CB 1.519 33.584 32.500 -0.725 0.000 1.151 82 K HN 0.962 nan 8.250 nan 0.000 0.432 83 G N 3.716 112.447 108.800 -0.115 0.000 2.556 83 G HA2 -0.339 3.621 3.960 0.001 0.000 0.283 83 G HA3 -0.339 3.621 3.960 0.001 0.000 0.283 83 G C 0.381 175.203 174.900 -0.130 0.000 1.177 83 G CA -0.025 45.023 45.100 -0.087 0.000 0.978 83 G HN 0.496 nan 8.290 nan 0.000 0.554 84 K N 1.544 121.873 120.400 -0.118 0.000 2.444 84 K HA 0.166 4.486 4.320 0.001 0.000 0.193 84 K C 1.371 177.844 176.600 -0.211 0.000 1.024 84 K CA 0.500 56.706 56.287 -0.136 0.000 1.077 84 K CB 0.336 32.786 32.500 -0.082 0.000 0.833 84 K HN 0.532 nan 8.250 nan 0.000 0.517 85 R N -0.297 120.035 120.500 -0.280 0.000 2.832 85 R HA 0.406 4.746 4.340 0.001 0.000 0.271 85 R C -0.803 175.127 176.300 -0.617 0.000 0.996 85 R CA -0.782 55.063 56.100 -0.425 0.000 0.977 85 R CB 1.046 31.019 30.300 -0.545 0.000 1.168 85 R HN -0.128 nan 8.270 nan 0.000 0.482 86 Y N 0.502 120.472 120.300 -0.551 0.000 2.420 86 Y HA 0.467 5.018 4.550 0.001 0.000 0.334 86 Y C -0.397 174.906 175.900 -0.994 0.000 1.094 86 Y CA -0.298 57.502 58.100 -0.501 0.000 1.126 86 Y CB 1.204 39.553 38.460 -0.185 0.000 1.217 86 Y HN 0.352 nan 8.280 nan 0.000 0.462 87 F N 1.683 121.187 119.950 -0.744 0.000 2.599 87 F HA 0.598 5.126 4.527 0.001 0.000 0.311 87 F C -1.025 174.213 175.800 -0.936 0.000 1.076 87 F CA -1.362 56.019 58.000 -1.031 0.000 0.937 87 F CB 1.901 39.961 39.000 -1.567 0.000 1.282 87 F HN 0.408 nan 8.300 nan 0.000 0.460 88 Y N -0.782 119.198 120.300 -0.534 0.000 2.604 88 Y HA 0.708 5.258 4.550 0.001 0.000 0.331 88 Y C -2.142 173.708 175.900 -0.084 0.000 1.158 88 Y CA -2.254 55.682 58.100 -0.274 0.000 1.056 88 Y CB 0.703 38.907 38.460 -0.427 0.000 1.330 88 Y HN 0.388 nan 8.280 nan 0.000 0.457 89 F N 2.743 122.909 119.950 0.359 0.000 2.397 89 F HA 0.604 5.132 4.527 0.001 0.000 0.331 89 F C -0.574 175.512 175.800 0.475 0.000 1.090 89 F CA -0.408 57.786 58.000 0.324 0.000 1.065 89 F CB 1.413 40.577 39.000 0.274 0.000 1.184 89 F HN 0.600 nan 8.300 nan 0.000 0.499 90 Y N 3.070 123.613 120.300 0.405 0.000 2.482 90 Y HA 0.360 4.910 4.550 0.001 0.000 0.334 90 Y C -1.796 174.165 175.900 0.102 0.000 1.091 90 Y CA -1.710 56.480 58.100 0.150 0.000 1.027 90 Y CB 1.369 39.853 38.460 0.041 0.000 1.306 90 Y HN 0.591 nan 8.280 nan 0.000 0.446 91 N N 3.016 121.462 118.700 -0.423 0.000 2.399 91 N HA 0.177 4.918 4.740 0.001 0.000 0.280 91 N C 0.535 175.538 175.510 -0.846 0.000 1.008 91 N CA 0.340 53.092 53.050 -0.497 0.000 0.894 91 N CB 2.009 40.350 38.487 -0.244 0.000 1.273 91 N HN 0.854 nan 8.380 nan 0.000 0.486 92 T N 0.351 114.403 114.554 -0.836 0.000 2.897 92 T HA 0.073 4.424 4.350 0.001 0.000 0.271 92 T C 1.175 175.684 174.700 -0.319 0.000 1.084 92 T CA 1.550 63.290 62.100 -0.601 0.000 1.123 92 T CB 0.078 68.753 68.868 -0.322 0.000 0.865 92 T HN 0.657 nan 8.240 nan 0.000 0.496 93 G N 0.773 109.380 108.800 -0.322 0.000 4.373 93 G HA2 0.048 4.008 3.960 0.001 0.000 0.195 93 G HA3 0.048 4.008 3.960 0.001 0.000 0.195 93 G C 0.556 175.313 174.900 -0.239 0.000 1.377 93 G CA -0.072 44.846 45.100 -0.304 0.000 0.858 93 G HN 0.432 nan 8.290 nan 0.000 0.307 94 L N 1.791 122.946 121.223 -0.114 0.000 3.122 94 L HA 0.387 4.728 4.340 0.001 0.000 0.274 94 L C 0.710 177.571 176.870 -0.014 0.000 1.222 94 L CA -0.167 54.665 54.840 -0.014 0.000 1.028 94 L CB 0.791 42.863 42.059 0.021 0.000 1.386 94 L HN 0.224 nan 8.230 nan 0.000 0.578 95 Q N 0.395 120.159 119.800 -0.061 0.000 2.395 95 Q HA 0.021 4.361 4.340 0.001 0.000 0.271 95 Q C 0.565 176.559 176.000 -0.011 0.000 1.026 95 Q CA -0.201 55.575 55.803 -0.047 0.000 0.900 95 Q CB 0.846 29.535 28.738 -0.082 0.000 1.266 95 Q HN 0.172 nan 8.270 nan 0.000 0.430 96 N N 0.696 119.394 118.700 -0.003 0.000 2.166 96 N HA -0.108 4.632 4.740 0.001 0.000 0.186 96 N C -0.193 175.327 175.510 0.015 0.000 1.019 96 N CA 1.267 54.324 53.050 0.011 0.000 0.856 96 N CB 0.345 38.836 38.487 0.005 0.000 0.993 96 N HN 0.471 nan 8.380 nan 0.000 0.426 97 Q N 0.335 120.139 119.800 0.007 0.000 2.372 97 Q HA 0.253 4.594 4.340 0.001 0.000 0.273 97 Q C -0.392 175.619 176.000 0.020 0.000 1.078 97 Q CA -0.567 55.247 55.803 0.019 0.000 0.806 97 Q CB 2.726 31.479 28.738 0.024 0.000 1.332 97 Q HN 0.337 nan 8.270 nan 0.000 0.435 98 R N -0.459 120.069 120.500 0.048 0.000 2.641 98 R HA 0.531 4.872 4.340 0.001 0.000 0.269 98 R C -0.406 175.996 176.300 0.170 0.000 1.074 98 R CA -0.459 55.699 56.100 0.096 0.000 1.133 98 R CB 0.235 30.620 30.300 0.142 0.000 1.029 98 R HN 0.189 nan 8.270 nan 0.000 0.488 99 V N 3.068 123.083 119.914 0.168 0.000 2.547 99 V HA 0.216 4.336 4.120 0.001 0.000 0.299 99 V C -0.306 175.798 176.094 0.018 0.000 1.040 99 V CA -1.111 61.207 62.300 0.031 0.000 0.913 99 V CB 1.454 33.176 31.823 -0.168 0.000 0.992 99 V HN 0.584 nan 8.190 nan 0.000 0.449 100 L N 5.486 126.589 121.223 -0.201 0.000 2.265 100 L HA 0.514 4.855 4.340 0.001 0.000 0.288 100 L C -0.938 175.647 176.870 -0.475 0.000 1.058 100 L CA 0.221 54.778 54.840 -0.471 0.000 0.809 100 L CB 0.213 41.988 42.059 -0.473 0.000 1.179 100 L HN 0.528 nan 8.230 nan 0.000 0.429 101 Y N 3.500 123.466 120.300 -0.558 0.000 2.528 101 Y HA 0.717 5.268 4.550 0.001 0.000 0.335 101 Y C -0.158 175.343 175.900 -0.664 0.000 1.093 101 Y CA -0.525 57.215 58.100 -0.600 0.000 1.134 101 Y CB 2.084 39.944 38.460 -0.999 0.000 1.253 101 Y HN 0.409 nan 8.280 nan 0.000 0.478 102 V N 2.836 122.515 119.914 -0.392 0.000 2.925 102 V HA 0.604 4.724 4.120 0.001 0.000 0.311 102 V C -1.746 174.096 176.094 -0.420 0.000 1.104 102 V CA -0.447 61.415 62.300 -0.730 0.000 0.954 102 V CB 2.006 33.307 31.823 -0.869 0.000 1.022 102 V HN 0.888 nan 8.190 nan 0.000 0.427 103 Q N 2.998 122.534 119.800 -0.441 0.000 2.340 103 Q HA 0.500 4.841 4.340 0.001 0.000 0.276 103 Q C -1.179 174.709 176.000 -0.186 0.000 1.048 103 Q CA -0.869 54.819 55.803 -0.193 0.000 0.832 103 Q CB 2.187 30.902 28.738 -0.040 0.000 1.373 103 Q HN 0.575 nan 8.270 nan 0.000 0.409 104 D N 1.142 121.473 120.400 -0.115 0.000 2.363 104 D HA 0.020 4.660 4.640 0.001 0.000 0.220 104 D C 0.086 176.397 176.300 0.017 0.000 0.994 104 D CA 1.150 55.100 54.000 -0.083 0.000 0.890 104 D CB 0.473 41.229 40.800 -0.073 0.000 0.906 104 D HN 0.619 nan 8.370 nan 0.000 0.530 105 S N -1.654 114.089 115.700 0.071 0.000 2.578 105 S HA 0.233 4.703 4.470 0.001 0.000 0.272 105 S C 0.553 175.148 174.600 -0.009 0.000 1.145 105 S CA -0.808 57.464 58.200 0.120 0.000 0.835 105 S CB 0.627 63.853 63.200 0.043 0.000 1.104 105 S HN -0.077 nan 8.310 nan 0.000 0.458 106 L N 0.969 122.075 121.223 -0.194 0.000 2.127 106 L HA -0.107 4.233 4.340 0.001 0.000 0.211 106 L C 2.438 179.209 176.870 -0.165 0.000 1.089 106 L CA 1.715 56.358 54.840 -0.329 0.000 0.757 106 L CB -0.525 41.279 42.059 -0.425 0.000 0.899 106 L HN 0.812 nan 8.230 nan 0.000 0.434 107 E N -0.329 119.804 120.200 -0.111 0.000 2.318 107 E HA 0.033 4.383 4.350 0.001 0.000 0.193 107 E C 1.224 177.783 176.600 -0.069 0.000 0.998 107 E CA 0.138 56.482 56.400 -0.093 0.000 0.859 107 E CB -0.006 29.650 29.700 -0.073 0.000 0.812 107 E HN 0.429 nan 8.360 nan 0.000 0.492 108 G N 2.482 111.252 108.800 -0.049 0.000 2.554 108 G HA2 -0.041 3.919 3.960 0.001 0.000 0.238 108 G HA3 -0.041 3.919 3.960 0.001 0.000 0.238 108 G C -0.235 174.646 174.900 -0.032 0.000 1.259 108 G CA -0.408 44.670 45.100 -0.036 0.000 0.843 108 G HN 0.185 nan 8.290 nan 0.000 0.582 109 E N 0.197 120.382 120.200 -0.026 0.000 2.376 109 E HA 0.470 4.821 4.350 0.001 0.000 0.266 109 E C 0.335 176.936 176.600 0.002 0.000 1.009 109 E CA -0.395 55.998 56.400 -0.013 0.000 0.902 109 E CB 0.944 30.639 29.700 -0.009 0.000 0.972 109 E HN 0.507 nan 8.360 nan 0.000 0.439 110 A N 4.238 127.078 122.820 0.034 0.000 2.302 110 A HA 0.511 4.832 4.320 0.001 0.000 0.285 110 A C -0.112 177.537 177.584 0.107 0.000 1.105 110 A CA -0.736 51.342 52.037 0.069 0.000 0.816 110 A CB 0.534 19.625 19.000 0.152 0.000 1.067 110 A HN 0.850 nan 8.150 nan 0.000 0.489 111 R N 0.463 121.025 120.500 0.105 0.000 2.771 111 R HA 0.637 4.977 4.340 0.001 0.000 0.274 111 R C -1.629 174.697 176.300 0.043 0.000 0.987 111 R CA -0.822 55.339 56.100 0.102 0.000 0.908 111 R CB 1.010 31.323 30.300 0.022 0.000 1.213 111 R HN 0.310 nan 8.270 nan 0.000 0.468 112 V N 2.983 122.845 119.914 -0.087 0.000 2.540 112 V HA -0.032 4.089 4.120 0.001 0.000 0.297 112 V C 0.378 176.348 176.094 -0.208 0.000 1.024 112 V CA 0.544 62.615 62.300 -0.382 0.000 1.105 112 V CB 0.142 31.771 31.823 -0.324 0.000 0.938 112 V HN 0.737 nan 8.190 nan 0.000 0.482 113 F N 5.599 125.296 119.950 -0.421 0.000 2.490 113 F HA 0.475 5.002 4.527 0.001 0.000 0.280 113 F C 0.274 175.881 175.800 -0.322 0.000 1.030 113 F CA 0.280 58.091 58.000 -0.314 0.000 1.367 113 F CB 0.598 39.432 39.000 -0.277 0.000 1.131 113 F HN 0.350 nan 8.300 nan 0.000 0.632 114 L N 1.300 122.264 121.223 -0.431 0.000 2.482 114 L HA 0.380 4.721 4.340 0.001 0.000 0.269 114 L C -1.872 174.827 176.870 -0.284 0.000 0.967 114 L CA -0.363 54.208 54.840 -0.448 0.000 0.851 114 L CB 1.277 43.054 42.059 -0.470 0.000 1.242 114 L HN 0.005 nan 8.230 nan 0.000 0.404 115 D N 6.166 126.422 120.400 -0.239 0.000 2.464 115 D HA 0.477 5.118 4.640 0.001 0.000 0.243 115 D C -2.073 174.169 176.300 -0.096 0.000 1.104 115 D CA -2.033 51.868 54.000 -0.165 0.000 0.883 115 D CB 2.126 42.824 40.800 -0.170 0.000 1.050 115 D HN 0.304 nan 8.370 nan 0.000 0.524 116 P HA -0.020 nan 4.420 nan 0.000 0.226 116 P C 1.057 178.350 177.300 -0.011 0.000 1.153 116 P CA 0.449 63.544 63.100 -0.009 0.000 0.777 116 P CB 0.342 32.060 31.700 0.031 0.000 0.794 117 N N 0.320 119.006 118.700 -0.024 0.000 2.223 117 N HA -0.119 4.621 4.740 0.001 0.000 0.185 117 N C 1.627 177.124 175.510 -0.022 0.000 1.016 117 N CA 1.198 54.235 53.050 -0.021 0.000 0.863 117 N CB -0.447 38.022 38.487 -0.029 0.000 0.983 117 N HN 0.342 nan 8.380 nan 0.000 0.429 118 I N -1.855 118.697 120.570 -0.031 0.000 3.564 118 I HA 0.028 4.198 4.170 0.001 0.000 0.294 118 I C 1.286 177.393 176.117 -0.016 0.000 1.289 118 I CA 0.491 61.775 61.300 -0.027 0.000 1.325 118 I CB -0.244 37.733 38.000 -0.039 0.000 1.039 118 I HN -0.063 nan 8.210 nan 0.000 0.474 119 L N 1.233 122.451 121.223 -0.009 0.000 2.509 119 L HA 0.194 4.535 4.340 0.001 0.000 0.222 119 L C 0.661 177.532 176.870 0.002 0.000 1.123 119 L CA 0.209 55.051 54.840 0.003 0.000 0.856 119 L CB -0.299 41.771 42.059 0.019 0.000 0.985 119 L HN 0.542 nan 8.230 nan 0.000 0.456 120 S N -3.604 112.095 115.700 -0.003 0.000 2.537 120 S HA 0.240 4.711 4.470 0.001 0.000 0.271 120 S C -0.207 174.389 174.600 -0.006 0.000 1.148 120 S CA -0.831 57.367 58.200 -0.004 0.000 0.868 120 S CB 1.757 64.954 63.200 -0.005 0.000 1.115 120 S HN -0.113 nan 8.310 nan 0.000 0.461 121 D N 1.297 121.693 120.400 -0.006 0.000 2.117 121 D HA -0.045 4.595 4.640 0.001 0.000 0.197 121 D C 1.158 177.456 176.300 -0.004 0.000 0.987 121 D CA 2.147 56.145 54.000 -0.005 0.000 0.829 121 D CB -0.066 40.732 40.800 -0.003 0.000 0.961 121 D HN 0.823 nan 8.370 nan 0.000 0.460 122 D N -1.706 118.691 120.400 -0.005 0.000 2.340 122 D HA 0.172 4.812 4.640 0.001 0.000 0.217 122 D C 1.257 177.553 176.300 -0.005 0.000 1.081 122 D CA 0.492 54.489 54.000 -0.005 0.000 0.842 122 D CB -0.208 40.588 40.800 -0.007 0.000 0.934 122 D HN 0.136 nan 8.370 nan 0.000 0.511 123 G N 0.844 109.641 108.800 -0.005 0.000 2.198 123 G HA2 -0.323 3.637 3.960 0.001 0.000 0.260 123 G HA3 -0.323 3.637 3.960 0.001 0.000 0.260 123 G C 0.901 175.799 174.900 -0.003 0.000 1.025 123 G CA 0.914 46.013 45.100 -0.002 0.000 0.769 123 G HN 0.619 nan 8.290 nan 0.000 0.507 124 T N -3.089 111.458 114.554 -0.011 0.000 3.144 124 T HA 0.494 4.844 4.350 0.001 0.000 0.249 124 T C 0.619 175.311 174.700 -0.013 0.000 1.089 124 T CA 0.423 62.510 62.100 -0.021 0.000 0.989 124 T CB 0.907 69.747 68.868 -0.046 0.000 0.992 124 T HN 0.574 nan 8.240 nan 0.000 0.540 125 V N 1.850 121.766 119.914 0.003 0.000 2.370 125 V HA 0.803 4.923 4.120 0.001 0.000 0.283 125 V C 0.091 176.206 176.094 0.035 0.000 1.023 125 V CA -0.809 61.502 62.300 0.019 0.000 0.857 125 V CB 0.770 32.607 31.823 0.023 0.000 0.985 125 V HN 0.677 nan 8.190 nan 0.000 0.443 126 A N 4.541 127.390 122.820 0.049 0.000 2.469 126 A HA 0.864 5.185 4.320 0.001 0.000 0.299 126 A C -1.030 176.611 177.584 0.095 0.000 1.098 126 A CA -0.773 51.302 52.037 0.062 0.000 0.737 126 A CB 1.557 20.586 19.000 0.047 0.000 1.312 126 A HN 0.816 nan 8.150 nan 0.000 0.414 127 L N 0.917 122.212 121.223 0.119 0.000 2.416 127 L HA 0.510 4.851 4.340 0.001 0.000 0.272 127 L C 0.532 177.488 176.870 0.142 0.000 1.161 127 L CA 0.724 55.669 54.840 0.176 0.000 0.845 127 L CB 0.288 42.481 42.059 0.224 0.000 1.119 127 L HN 0.680 nan 8.230 nan 0.000 0.464 128 R N 4.336 124.924 120.500 0.146 0.000 2.721 128 R HA 0.540 4.880 4.340 0.001 0.000 0.272 128 R C -0.623 175.741 176.300 0.107 0.000 1.721 128 R CA 0.179 56.343 56.100 0.106 0.000 1.325 128 R CB 0.421 30.765 30.300 0.072 0.000 1.271 128 R HN 1.065 nan 8.270 nan 0.000 0.556 129 G N 2.728 111.610 108.800 0.137 0.000 2.705 129 G HA2 -0.205 3.755 3.960 0.001 0.000 0.686 129 G HA3 -0.205 3.755 3.960 0.001 0.000 0.686 129 G C -1.449 173.556 174.900 0.174 0.000 1.285 129 G CA -0.244 44.897 45.100 0.070 0.000 0.800 129 G HN 0.733 nan 8.290 nan 0.000 0.611 130 Y N -2.644 117.684 120.300 0.046 0.000 2.702 130 Y HA 0.878 5.428 4.550 0.001 0.000 0.336 130 Y C -0.324 175.598 175.900 0.037 0.000 1.203 130 Y CA -0.993 57.078 58.100 -0.049 0.000 1.072 130 Y CB 0.784 39.259 38.460 0.025 0.000 1.327 130 Y HN 2.299 nan 8.280 nan 0.000 0.456 131 A N 1.846 124.769 122.820 0.171 0.000 2.513 131 A HA 0.716 5.037 4.320 0.001 0.000 0.296 131 A C -2.158 175.689 177.584 0.439 0.000 1.052 131 A CA -0.620 51.634 52.037 0.362 0.000 0.714 131 A CB 0.644 19.880 19.000 0.394 0.000 1.279 131 A HN 0.604 nan 8.150 nan 0.000 0.397 132 F N 1.799 121.993 119.950 0.407 0.000 2.377 132 F HA 0.503 5.031 4.527 0.001 0.000 0.328 132 F C 1.535 177.201 175.800 -0.223 0.000 1.094 132 F CA 0.450 58.560 58.000 0.184 0.000 1.093 132 F CB 1.743 40.818 39.000 0.125 0.000 1.214 132 F HN 0.681 nan 8.300 nan 0.000 0.518 133 S N 0.651 116.003 115.700 -0.581 0.000 2.589 133 S HA 0.033 4.504 4.470 0.001 0.000 0.265 133 S C 1.109 175.602 174.600 -0.178 0.000 1.342 133 S CA -0.491 57.204 58.200 -0.841 0.000 1.005 133 S CB 1.012 63.650 63.200 -0.937 0.000 0.909 133 S HN 0.720 nan 8.310 nan 0.000 0.555 134 E N 1.244 121.378 120.200 -0.110 0.000 2.118 134 E HA -0.221 4.129 4.350 0.001 0.000 0.195 134 E C 1.224 177.769 176.600 -0.092 0.000 0.992 134 E CA 2.033 58.338 56.400 -0.160 0.000 0.804 134 E CB -0.436 28.981 29.700 -0.471 0.000 0.741 134 E HN 0.869 nan 8.360 nan 0.000 0.458 135 D N -1.460 118.908 120.400 -0.053 0.000 2.349 135 D HA 0.070 4.711 4.640 0.001 0.000 0.224 135 D C 1.331 177.627 176.300 -0.006 0.000 1.029 135 D CA 0.803 54.794 54.000 -0.016 0.000 0.879 135 D CB -0.309 40.503 40.800 0.019 0.000 0.906 135 D HN 0.300 nan 8.370 nan 0.000 0.528 136 G N 0.510 109.313 108.800 0.006 0.000 2.155 136 G HA2 -0.321 3.639 3.960 0.001 0.000 0.257 136 G HA3 -0.321 3.639 3.960 0.001 0.000 0.257 136 G C 0.873 175.835 174.900 0.102 0.000 0.983 136 G CA 0.450 45.584 45.100 0.058 0.000 0.676 136 G HN 0.385 nan 8.290 nan 0.000 0.528 137 E N -1.242 118.988 120.200 0.051 0.000 2.447 137 E HA 0.198 4.548 4.350 0.001 0.000 0.195 137 E C 0.240 176.688 176.600 -0.254 0.000 1.028 137 E CA 0.497 56.867 56.400 -0.049 0.000 0.876 137 E CB 0.294 29.979 29.700 -0.025 0.000 0.885 137 E HN 0.649 nan 8.360 nan 0.000 0.500 138 Y N -0.695 119.601 120.300 -0.007 0.000 2.536 138 Y HA 0.456 5.006 4.550 0.001 0.000 0.347 138 Y C -0.801 175.142 175.900 0.073 0.000 1.000 138 Y CA -1.293 56.816 58.100 0.014 0.000 1.051 138 Y CB 1.749 40.101 38.460 -0.179 0.000 1.259 138 Y HN -0.203 nan 8.280 nan 0.000 0.468 139 F N 1.734 121.821 119.950 0.229 0.000 2.574 139 F HA 0.833 5.360 4.527 0.001 0.000 0.313 139 F C -1.343 174.627 175.800 0.283 0.000 1.130 139 F CA -0.895 57.121 58.000 0.028 0.000 0.936 139 F CB 1.117 40.006 39.000 -0.183 0.000 1.219 139 F HN 0.521 nan 8.300 nan 0.000 0.445 140 A N 5.331 127.967 122.820 -0.306 0.000 2.330 140 A HA 0.801 5.122 4.320 0.001 0.000 0.327 140 A C -2.069 175.008 177.584 -0.845 0.000 1.155 140 A CA -0.489 51.097 52.037 -0.752 0.000 0.803 140 A CB 0.734 19.293 19.000 -0.735 0.000 1.208 140 A HN 1.005 nan 8.150 nan 0.000 0.477 141 Y N -0.504 119.288 120.300 -0.847 0.000 2.513 141 Y HA 0.728 5.278 4.550 0.001 0.000 0.340 141 Y C 0.056 175.787 175.900 -0.283 0.000 1.055 141 Y CA -1.097 56.689 58.100 -0.522 0.000 1.020 141 Y CB 0.791 38.969 38.460 -0.469 0.000 1.301 141 Y HN 0.839 nan 8.280 nan 0.000 0.453 142 G N 3.200 111.959 108.800 -0.070 0.000 2.377 142 G HA2 0.615 4.575 3.960 0.001 0.000 0.299 142 G HA3 0.615 4.575 3.960 0.001 0.000 0.299 142 G C -1.497 173.428 174.900 0.043 0.000 1.150 142 G CA -0.995 44.055 45.100 -0.085 0.000 0.847 142 G HN 0.743 nan 8.290 nan 0.000 0.501 143 L N 1.183 122.405 121.223 -0.002 0.000 2.362 143 L HA 0.504 4.844 4.340 0.001 0.000 0.275 143 L C -0.077 176.823 176.870 0.049 0.000 0.998 143 L CA -0.642 54.235 54.840 0.061 0.000 0.820 143 L CB 2.367 44.460 42.059 0.057 0.000 1.270 143 L HN 0.419 nan 8.230 nan 0.000 0.415 144 S N 1.607 117.346 115.700 0.064 0.000 2.500 144 S HA 0.777 5.248 4.470 0.001 0.000 0.301 144 S C -0.396 174.234 174.600 0.051 0.000 1.092 144 S CA -0.591 57.650 58.200 0.068 0.000 1.030 144 S CB 1.987 65.228 63.200 0.069 0.000 1.031 144 S HN 0.651 nan 8.310 nan 0.000 0.483 145 A N 1.593 124.442 122.820 0.049 0.000 2.317 145 A HA 0.727 5.048 4.320 0.001 0.000 0.327 145 A C 0.654 178.214 177.584 -0.040 0.000 1.178 145 A CA -0.553 51.487 52.037 0.006 0.000 0.817 145 A CB 0.191 19.193 19.000 0.003 0.000 1.189 145 A HN 1.199 nan 8.150 nan 0.000 0.489 146 S N 0.754 116.392 115.700 -0.103 0.000 3.521 146 S HA -0.171 4.300 4.470 0.001 0.000 0.328 146 S C 1.382 175.921 174.600 -0.101 0.000 1.165 146 S CA 1.824 59.894 58.200 -0.217 0.000 0.941 146 S CB -1.599 61.224 63.200 -0.629 0.000 0.951 146 S HN 2.806 nan 8.310 nan 0.000 0.539 147 G N -0.048 108.748 108.800 -0.006 0.000 2.179 147 G HA2 -0.318 3.643 3.960 0.001 0.000 0.260 147 G HA3 -0.318 3.643 3.960 0.001 0.000 0.260 147 G C 0.157 175.117 174.900 0.099 0.000 0.977 147 G CA 0.823 45.954 45.100 0.052 0.000 0.641 147 G HN 1.502 nan 8.290 nan 0.000 0.533 148 S N -0.316 115.456 115.700 0.119 0.000 2.579 148 S HA 0.363 4.833 4.470 0.001 0.000 0.275 148 S C 1.330 175.969 174.600 0.065 0.000 1.345 148 S CA 0.452 58.739 58.200 0.146 0.000 1.031 148 S CB 0.626 63.981 63.200 0.259 0.000 0.892 148 S HN 0.194 nan 8.310 nan 0.000 0.529 149 D N 2.023 122.392 120.400 -0.051 0.000 2.312 149 D HA 0.005 4.645 4.640 0.001 0.000 0.211 149 D C -0.071 176.082 176.300 -0.245 0.000 0.964 149 D CA 0.338 54.225 54.000 -0.189 0.000 0.877 149 D CB 0.002 40.586 40.800 -0.361 0.000 0.924 149 D HN 0.601 nan 8.370 nan 0.000 0.515 150 W N 0.831 122.072 121.300 -0.098 0.000 2.223 150 W HA 0.146 4.806 4.660 0.001 0.000 0.334 150 W C 0.285 176.771 176.519 -0.056 0.000 1.334 150 W CA -0.322 56.971 57.345 -0.086 0.000 1.246 150 W CB 0.669 30.104 29.460 -0.041 0.000 1.184 150 W HN -0.371 nan 8.180 nan 0.000 0.563 151 V N 2.931 122.999 119.914 0.256 0.000 2.823 151 V HA 0.463 4.583 4.120 0.001 0.000 0.312 151 V C -0.211 175.928 176.094 0.075 0.000 1.072 151 V CA -0.895 61.475 62.300 0.117 0.000 0.937 151 V CB 2.340 34.199 31.823 0.061 0.000 1.013 151 V HN 0.408 nan 8.190 nan 0.000 0.430 152 T N 5.226 119.774 114.554 -0.010 0.000 2.786 152 T HA 0.599 4.950 4.350 0.001 0.000 0.283 152 T C -0.314 174.272 174.700 -0.191 0.000 0.992 152 T CA -0.121 61.928 62.100 -0.084 0.000 0.954 152 T CB 0.704 69.523 68.868 -0.082 0.000 0.934 152 T HN 0.371 nan 8.240 nan 0.000 0.440 153 I N 3.858 124.272 120.570 -0.260 0.000 2.342 153 I HA 0.384 4.554 4.170 0.001 0.000 0.291 153 I C 0.528 176.344 176.117 -0.501 0.000 1.010 153 I CA -0.491 60.545 61.300 -0.440 0.000 1.308 153 I CB 0.875 38.590 38.000 -0.476 0.000 1.400 153 I HN 0.344 nan 8.210 nan 0.000 0.488 154 K N 5.215 125.113 120.400 -0.837 0.000 2.306 154 K HA 0.722 5.042 4.320 0.001 0.000 0.236 154 K C -1.372 174.787 176.600 -0.735 0.000 1.013 154 K CA -0.718 55.169 56.287 -0.667 0.000 0.857 154 K CB 2.143 34.219 32.500 -0.707 0.000 1.214 154 K HN 0.210 nan 8.250 nan 0.000 0.449 155 F N 0.572 120.443 119.950 -0.132 0.000 2.588 155 F HA 0.559 5.087 4.527 0.001 0.000 0.314 155 F C -0.310 175.685 175.800 0.325 0.000 1.069 155 F CA -0.782 57.311 58.000 0.155 0.000 0.931 155 F CB 1.876 40.978 39.000 0.169 0.000 1.260 155 F HN 0.176 nan 8.300 nan 0.000 0.465 156 M N 1.516 121.481 119.600 0.609 0.000 2.470 156 M HA 0.332 4.812 4.480 0.001 0.000 0.285 156 M C -1.098 175.434 176.300 0.387 0.000 1.213 156 M CA -0.807 54.754 55.300 0.434 0.000 0.901 156 M CB 3.022 35.818 32.600 0.327 0.000 1.718 156 M HN 0.478 nan 8.290 nan 0.000 0.469 157 K N 1.408 121.922 120.400 0.190 0.000 2.227 157 K HA 0.387 4.707 4.320 0.001 0.000 0.280 157 K C 0.280 176.880 176.600 0.001 0.000 1.041 157 K CA -0.339 55.866 56.287 -0.136 0.000 0.905 157 K CB 1.294 33.706 32.500 -0.148 0.000 1.068 157 K HN 0.609 nan 8.250 nan 0.000 0.470 158 V N 2.377 122.285 119.914 -0.010 0.000 2.255 158 V HA -0.202 3.918 4.120 0.001 0.000 0.247 158 V C 0.842 177.026 176.094 0.150 0.000 1.051 158 V CA 1.558 63.985 62.300 0.210 0.000 1.018 158 V CB -0.455 31.455 31.823 0.146 0.000 0.641 158 V HN 0.886 nan 8.190 nan 0.000 0.445 159 D N 0.095 120.501 120.400 0.009 0.000 2.389 159 D HA 0.292 4.932 4.640 0.001 0.000 0.263 159 D C 1.150 177.464 176.300 0.024 0.000 1.255 159 D CA 1.193 55.196 54.000 0.004 0.000 0.914 159 D CB 0.318 41.100 40.800 -0.029 0.000 1.116 159 D HN 0.479 nan 8.370 nan 0.000 0.502 160 G N 3.288 112.113 108.800 0.041 0.000 2.176 160 G HA2 -0.190 3.770 3.960 0.001 0.000 0.253 160 G HA3 -0.190 3.770 3.960 0.001 0.000 0.253 160 G C 0.745 175.664 174.900 0.030 0.000 0.979 160 G CA 0.414 45.532 45.100 0.029 0.000 0.641 160 G HN 1.653 nan 8.290 nan 0.000 0.530 161 A N -1.076 121.790 122.820 0.076 0.000 2.560 161 A HA -0.091 4.229 4.320 0.001 0.000 0.299 161 A C 0.763 178.318 177.584 -0.048 0.000 1.484 161 A CA 2.080 54.103 52.037 -0.022 0.000 0.749 161 A CB -1.150 17.755 19.000 -0.158 0.000 1.072 161 A HN 0.968 nan 8.150 nan 0.000 0.426 162 K N 1.221 121.632 120.400 0.018 0.000 2.297 162 K HA 0.274 4.594 4.320 0.001 0.000 0.286 162 K C 0.296 176.944 176.600 0.080 0.000 1.053 162 K CA -0.139 56.171 56.287 0.039 0.000 0.940 162 K CB 0.713 33.247 32.500 0.056 0.000 1.019 162 K HN 0.726 nan 8.250 nan 0.000 0.475 163 E N 2.946 123.189 120.200 0.071 0.000 2.360 163 E HA 0.134 4.484 4.350 0.001 0.000 0.269 163 E C -0.057 176.626 176.600 0.139 0.000 1.022 163 E CA -0.096 56.374 56.400 0.118 0.000 0.887 163 E CB 0.685 30.437 29.700 0.086 0.000 0.990 163 E HN 0.274 nan 8.360 nan 0.000 0.426 164 L N 3.845 125.184 121.223 0.194 0.000 2.332 164 L HA 0.290 4.630 4.340 0.001 0.000 0.269 164 L C -1.593 175.350 176.870 0.122 0.000 1.016 164 L CA -1.909 53.036 54.840 0.175 0.000 0.809 164 L CB 0.957 43.166 42.059 0.250 0.000 1.280 164 L HN 0.390 nan 8.230 nan 0.000 0.447 165 P HA -0.004 nan 4.420 nan 0.000 0.225 165 P C -0.695 176.610 177.300 0.010 0.000 1.156 165 P CA 0.346 63.466 63.100 0.033 0.000 0.787 165 P CB 0.064 31.772 31.700 0.013 0.000 0.802 166 D N -0.136 120.258 120.400 -0.010 0.000 2.487 166 D HA 0.171 4.811 4.640 0.001 0.000 0.243 166 D C -0.309 175.985 176.300 -0.010 0.000 1.154 166 D CA 0.663 54.609 54.000 -0.090 0.000 0.876 166 D CB 0.294 40.861 40.800 -0.388 0.000 1.161 166 D HN -0.128 nan 8.370 nan 0.000 0.478 167 V N 3.550 123.396 119.914 -0.114 0.000 2.668 167 V HA 0.326 4.446 4.120 0.001 0.000 0.304 167 V C -0.452 175.508 176.094 -0.224 0.000 1.071 167 V CA -0.826 61.401 62.300 -0.122 0.000 0.894 167 V CB 1.607 33.373 31.823 -0.094 0.000 1.008 167 V HN 0.381 nan 8.190 nan 0.000 0.425 168 L N 4.437 125.503 121.223 -0.262 0.000 2.333 168 L HA 0.694 5.035 4.340 0.001 0.000 0.280 168 L C -0.161 176.595 176.870 -0.189 0.000 1.004 168 L CA -0.521 54.120 54.840 -0.330 0.000 0.820 168 L CB 1.863 43.554 42.059 -0.614 0.000 1.247 168 L HN 0.532 nan 8.230 nan 0.000 0.416 169 E N 2.962 123.091 120.200 -0.117 0.000 2.259 169 E HA 0.481 4.832 4.350 0.001 0.000 0.257 169 E C -0.018 176.601 176.600 0.031 0.000 0.998 169 E CA -0.759 55.606 56.400 -0.058 0.000 0.866 169 E CB 1.310 30.957 29.700 -0.088 0.000 1.220 169 E HN 0.360 nan 8.360 nan 0.000 0.415 170 R N -1.556 118.964 120.500 0.034 0.000 3.878 170 R HA -0.119 4.222 4.340 0.001 0.000 0.330 170 R C -0.401 176.181 176.300 0.469 0.000 1.186 170 R CA 0.249 56.447 56.100 0.164 0.000 0.885 170 R CB -2.812 27.575 30.300 0.146 0.000 1.377 170 R HN 0.258 nan 8.270 nan 0.000 0.523 171 V N 1.276 121.424 119.914 0.390 0.000 2.498 171 V HA 0.452 4.572 4.120 0.001 0.000 0.279 171 V C 0.664 176.965 176.094 0.345 0.000 1.048 171 V CA 0.070 62.590 62.300 0.367 0.000 0.967 171 V CB 1.840 33.796 31.823 0.223 0.000 0.988 171 V HN 0.159 nan 8.190 nan 0.000 0.473 172 K N 3.684 124.217 120.400 0.221 0.000 2.569 172 K HA 0.408 4.728 4.320 0.001 0.000 0.259 172 K C -1.104 175.453 176.600 -0.071 0.000 0.932 172 K CA -0.805 55.365 56.287 -0.195 0.000 0.833 172 K CB 1.120 33.227 32.500 -0.654 0.000 1.340 172 K HN 0.324 nan 8.250 nan 0.000 0.429 173 F N -0.283 119.737 119.950 0.117 0.000 3.004 173 F HA -0.228 4.299 4.527 0.001 0.000 0.264 173 F C 0.175 176.041 175.800 0.110 0.000 0.979 173 F CA 0.828 58.888 58.000 0.101 0.000 0.896 173 F CB -1.975 37.097 39.000 0.119 0.000 0.813 173 F HN 0.314 nan 8.300 nan 0.000 0.804 174 S N -0.285 115.539 115.700 0.207 0.000 2.608 174 S HA 0.759 5.229 4.470 0.001 0.000 0.291 174 S C 0.288 174.982 174.600 0.157 0.000 1.146 174 S CA -0.267 58.043 58.200 0.183 0.000 1.043 174 S CB 1.030 64.350 63.200 0.200 0.000 1.037 174 S HN 0.589 nan 8.310 nan 0.000 0.520 175 C N 3.537 122.934 119.300 0.162 0.000 2.382 175 C HA 0.794 5.254 4.460 0.001 0.000 0.363 175 C C -0.158 174.945 174.990 0.189 0.000 1.213 175 C CA -0.957 58.154 59.018 0.155 0.000 2.363 175 C CB -0.488 27.345 27.740 0.155 0.000 2.397 175 C HN 0.821 nan 8.230 nan 0.000 0.573 176 M N 2.406 122.112 119.600 0.176 0.000 2.149 176 M HA 0.565 5.046 4.480 0.001 0.000 0.273 176 M C -0.621 175.828 176.300 0.249 0.000 0.972 176 M CA -0.046 55.361 55.300 0.179 0.000 0.984 176 M CB 1.978 34.629 32.600 0.084 0.000 1.699 176 M HN 1.015 nan 8.290 nan 0.000 0.462 177 A N 3.171 126.184 122.820 0.322 0.000 2.442 177 A HA 0.697 5.017 4.320 0.001 0.000 0.284 177 A C -2.067 175.826 177.584 0.514 0.000 1.058 177 A CA -0.493 51.811 52.037 0.446 0.000 0.738 177 A CB 0.781 20.050 19.000 0.448 0.000 1.242 177 A HN 0.869 nan 8.150 nan 0.000 0.421 178 W N 2.186 123.720 121.300 0.389 0.000 2.272 178 W HA 0.460 5.120 4.660 0.001 0.000 0.318 178 W C 1.104 177.893 176.519 0.451 0.000 1.255 178 W CA 0.485 58.051 57.345 0.370 0.000 1.200 178 W CB 1.234 30.876 29.460 0.304 0.000 1.170 178 W HN 0.747 nan 8.180 nan 0.000 0.549 179 T N -1.185 113.766 114.554 0.662 0.000 2.918 179 T HA 0.060 4.410 4.350 0.001 0.000 0.302 179 T C 0.805 175.853 174.700 0.580 0.000 1.045 179 T CA -0.271 62.166 62.100 0.562 0.000 1.114 179 T CB 0.653 69.760 68.868 0.400 0.000 0.965 179 T HN 0.576 nan 8.240 nan 0.000 0.540 180 H N 0.629 119.869 119.070 0.284 0.000 2.545 180 H HA -0.062 4.494 4.556 0.001 0.000 0.282 180 H C 1.448 176.884 175.328 0.179 0.000 1.020 180 H CA 0.864 57.044 56.048 0.220 0.000 1.243 180 H CB 0.222 30.092 29.762 0.179 0.000 1.377 180 H HN 0.771 nan 8.280 nan 0.000 0.581 181 D N -0.234 120.343 120.400 0.295 0.000 2.363 181 D HA -0.014 4.627 4.640 0.001 0.000 0.226 181 D C 1.720 178.135 176.300 0.192 0.000 1.020 181 D CA 0.722 54.843 54.000 0.200 0.000 0.892 181 D CB -0.383 40.511 40.800 0.156 0.000 0.900 181 D HN 0.358 nan 8.370 nan 0.000 0.531 182 G N 1.131 110.086 108.800 0.257 0.000 2.166 182 G HA2 -0.445 3.516 3.960 0.001 0.000 0.260 182 G HA3 -0.445 3.516 3.960 0.001 0.000 0.260 182 G C 0.927 175.972 174.900 0.241 0.000 0.986 182 G CA 0.772 46.019 45.100 0.245 0.000 0.683 182 G HN 0.556 nan 8.290 nan 0.000 0.527 183 K N -0.180 120.360 120.400 0.234 0.000 2.167 183 K HA 0.379 4.700 4.320 0.001 0.000 0.203 183 K C 1.435 178.051 176.600 0.027 0.000 1.052 183 K CA 1.554 57.919 56.287 0.130 0.000 0.956 183 K CB -0.048 32.543 32.500 0.152 0.000 0.735 183 K HN 0.897 nan 8.250 nan 0.000 0.451 184 G N -0.233 108.601 108.800 0.056 0.000 2.561 184 G HA2 0.390 4.350 3.960 0.001 0.000 0.310 184 G HA3 0.390 4.350 3.960 0.001 0.000 0.310 184 G C -1.935 172.659 174.900 -0.510 0.000 1.292 184 G CA -0.745 44.060 45.100 -0.492 0.000 0.811 184 G HN 0.084 nan 8.290 nan 0.000 0.482 185 M N 0.057 119.152 119.600 -0.841 0.000 2.378 185 M HA 0.645 5.125 4.480 0.001 0.000 0.289 185 M C -1.607 174.601 176.300 -0.153 0.000 1.136 185 M CA -0.687 54.317 55.300 -0.493 0.000 0.917 185 M CB 1.984 34.078 32.600 -0.843 0.000 1.669 185 M HN 0.362 nan 8.290 nan 0.000 0.461 186 F N 4.344 124.459 119.950 0.274 0.000 2.399 186 F HA 0.511 5.038 4.527 0.001 0.000 0.342 186 F C -0.179 175.823 175.800 0.337 0.000 1.106 186 F CA 0.397 58.613 58.000 0.361 0.000 1.196 186 F CB 0.609 39.808 39.000 0.332 0.000 1.163 186 F HN 0.509 nan 8.300 nan 0.000 0.547 187 Y N -0.498 120.014 120.300 0.354 0.000 2.713 187 Y HA 0.559 5.110 4.550 0.001 0.000 0.335 187 Y C -1.964 174.084 175.900 0.247 0.000 1.222 187 Y CA -2.076 56.158 58.100 0.223 0.000 1.061 187 Y CB 0.777 39.308 38.460 0.118 0.000 1.314 187 Y HN 0.522 nan 8.280 nan 0.000 0.453 188 N N 0.578 119.331 118.700 0.088 0.000 2.370 188 N HA 0.864 5.605 4.740 0.001 0.000 0.303 188 N C -1.452 174.131 175.510 0.122 0.000 1.103 188 N CA -0.566 52.484 53.050 0.000 0.000 0.848 188 N CB 2.212 40.727 38.487 0.046 0.000 1.235 188 N HN 0.972 nan 8.380 nan 0.000 0.496 189 A N 0.924 123.802 122.820 0.096 0.000 2.587 189 A HA 0.628 4.949 4.320 0.001 0.000 0.293 189 A C -1.967 175.692 177.584 0.125 0.000 1.087 189 A CA -0.511 51.671 52.037 0.240 0.000 0.692 189 A CB 0.742 19.945 19.000 0.338 0.000 1.291 189 A HN 0.606 nan 8.150 nan 0.000 0.407 190 Y N 0.550 121.051 120.300 0.335 0.000 2.420 190 Y HA 0.529 5.079 4.550 0.001 0.000 0.334 190 Y C -2.029 174.031 175.900 0.266 0.000 1.094 190 Y CA -1.750 56.542 58.100 0.320 0.000 1.126 190 Y CB 1.362 40.058 38.460 0.393 0.000 1.217 190 Y HN 0.479 nan 8.280 nan 0.000 0.462 191 P HA 0.004 nan 4.420 nan 0.000 0.271 191 P C -0.813 176.611 177.300 0.207 0.000 1.233 191 P CA -0.329 62.918 63.100 0.245 0.000 0.789 191 P CB 0.498 32.321 31.700 0.204 0.000 0.951 192 Q N 0.661 120.532 119.800 0.117 0.000 2.432 192 Q HA 0.078 4.419 4.340 0.001 0.000 0.264 192 Q C -0.027 176.020 176.000 0.077 0.000 1.035 192 Q CA 0.411 56.254 55.803 0.066 0.000 0.908 192 Q CB 0.349 29.103 28.738 0.028 0.000 1.280 192 Q HN 0.385 nan 8.270 nan 0.000 0.455 193 Q N 0.916 120.746 119.800 0.050 0.000 2.416 193 Q HA 0.420 4.760 4.340 0.001 0.000 0.281 193 Q C -1.428 174.587 176.000 0.025 0.000 1.067 193 Q CA -1.096 54.743 55.803 0.060 0.000 0.809 193 Q CB 1.484 30.283 28.738 0.101 0.000 1.418 193 Q HN 0.351 nan 8.270 nan 0.000 0.411 194 D N 0.613 121.030 120.400 0.029 0.000 2.357 194 D HA 0.490 5.130 4.640 0.001 0.000 0.242 194 D C 0.809 177.119 176.300 0.016 0.000 1.153 194 D CA 1.756 55.765 54.000 0.016 0.000 0.918 194 D CB 0.956 41.767 40.800 0.018 0.000 1.181 194 D HN 0.928 nan 8.370 nan 0.000 0.435 195 G N 0.883 109.686 108.800 0.005 0.000 2.632 195 G HA2 -0.216 3.744 3.960 0.001 0.000 0.224 195 G HA3 -0.216 3.744 3.960 0.001 0.000 0.224 195 G C -0.462 174.432 174.900 -0.011 0.000 1.341 195 G CA -0.567 44.537 45.100 0.006 0.000 0.880 195 G HN 0.516 nan 8.290 nan 0.000 0.566 196 K N -0.435 119.962 120.400 -0.004 0.000 2.098 196 K HA 0.621 4.941 4.320 0.001 0.000 0.257 196 K C -0.065 176.515 176.600 -0.033 0.000 0.999 196 K CA 0.042 56.313 56.287 -0.027 0.000 0.924 196 K CB 1.138 33.633 32.500 -0.008 0.000 1.028 196 K HN 0.367 nan 8.250 nan 0.000 0.466 197 S N 1.783 117.391 115.700 -0.152 0.000 2.300 197 S HA 0.048 4.518 4.470 0.001 0.000 0.172 197 S C -0.815 173.515 174.600 -0.450 0.000 1.484 197 S CA -0.612 57.357 58.200 -0.384 0.000 1.265 197 S CB 0.016 62.694 63.200 -0.870 0.000 1.313 197 S HN 0.746 nan 8.310 nan 0.000 0.387 198 D N -0.349 120.053 120.400 0.002 0.000 2.520 198 D HA 0.286 4.926 4.640 0.001 0.000 0.223 198 D C 1.218 177.733 176.300 0.358 0.000 1.186 198 D CA 0.457 54.540 54.000 0.138 0.000 0.821 198 D CB 0.026 40.888 40.800 0.102 0.000 1.072 198 D HN 0.496 nan 8.370 nan 0.000 0.518 199 G N 0.406 109.441 108.800 0.391 0.000 2.218 199 G HA2 -0.314 3.646 3.960 0.001 0.000 0.216 199 G HA3 -0.314 3.646 3.960 0.001 0.000 0.216 199 G C 1.165 176.099 174.900 0.056 0.000 0.994 199 G CA 0.652 45.923 45.100 0.286 0.000 0.637 199 G HN 0.611 nan 8.290 nan 0.000 0.505 200 T N -0.657 113.857 114.554 -0.066 0.000 3.044 200 T HA 0.370 4.720 4.350 0.001 0.000 0.250 200 T C 0.969 175.644 174.700 -0.042 0.000 1.081 200 T CA 1.032 63.032 62.100 -0.167 0.000 1.040 200 T CB 0.248 68.957 68.868 -0.264 0.000 0.962 200 T HN 0.794 nan 8.240 nan 0.000 0.506 201 E N 2.330 122.552 120.200 0.036 0.000 2.342 201 E HA 0.162 4.513 4.350 0.001 0.000 0.257 201 E C 0.377 177.016 176.600 0.065 0.000 1.150 201 E CA 0.016 56.451 56.400 0.058 0.000 0.926 201 E CB 1.167 30.928 29.700 0.101 0.000 1.074 201 E HN 0.289 nan 8.360 nan 0.000 0.449 202 T N -2.312 112.284 114.554 0.070 0.000 3.040 202 T HA 0.158 4.509 4.350 0.001 0.000 0.266 202 T C 0.115 174.922 174.700 0.179 0.000 1.005 202 T CA -0.409 61.751 62.100 0.100 0.000 0.906 202 T CB -0.169 68.719 68.868 0.034 0.000 1.082 202 T HN 0.288 nan 8.240 nan 0.000 0.531 203 S N 2.813 118.596 115.700 0.138 0.000 2.563 203 S HA 0.186 4.656 4.470 0.001 0.000 0.294 203 S C 0.538 175.197 174.600 0.099 0.000 1.279 203 S CA -0.132 58.140 58.200 0.120 0.000 1.069 203 S CB 0.643 63.914 63.200 0.119 0.000 0.828 203 S HN 0.559 nan 8.310 nan 0.000 0.497 204 T N 2.742 117.338 114.554 0.070 0.000 2.930 204 T HA 0.107 4.457 4.350 0.001 0.000 0.306 204 T C -0.070 174.667 174.700 0.060 0.000 1.045 204 T CA -0.375 61.760 62.100 0.058 0.000 1.134 204 T CB -0.274 68.608 68.868 0.023 0.000 0.961 204 T HN 0.637 nan 8.240 nan 0.000 0.545 205 N N 4.282 123.018 118.700 0.060 0.000 2.457 205 N HA 0.561 5.301 4.740 0.001 0.000 0.250 205 N C -0.925 174.717 175.510 0.220 0.000 0.982 205 N CA -0.483 52.533 53.050 -0.057 0.000 0.941 205 N CB 1.049 39.285 38.487 -0.418 0.000 1.120 205 N HN 0.423 nan 8.380 nan 0.000 0.505 206 L N 0.970 122.362 121.223 0.281 0.000 2.359 206 L HA 0.491 4.832 4.340 0.001 0.000 0.256 206 L C -0.064 177.042 176.870 0.394 0.000 1.026 206 L CA -0.994 53.985 54.840 0.231 0.000 0.828 206 L CB 1.480 43.519 42.059 -0.034 0.000 1.406 206 L HN 0.648 nan 8.230 nan 0.000 0.413 207 H N -0.049 119.172 119.070 0.252 0.000 2.826 207 H HA -0.163 4.394 4.556 0.001 0.000 0.306 207 H C 0.116 175.500 175.328 0.093 0.000 1.235 207 H CA 0.498 56.648 56.048 0.169 0.000 1.150 207 H CB -0.824 29.019 29.762 0.136 0.000 1.409 207 H HN 0.597 nan 8.280 nan 0.000 0.420 208 Q N 1.346 121.166 119.800 0.032 0.000 2.337 208 Q HA 0.119 4.459 4.340 0.001 0.000 0.270 208 Q C 0.058 175.980 176.000 -0.131 0.000 1.002 208 Q CA 0.206 55.767 55.803 -0.404 0.000 0.888 208 Q CB 0.629 29.059 28.738 -0.513 0.000 1.222 208 Q HN 0.215 nan 8.270 nan 0.000 0.400 209 K N 3.220 123.510 120.400 -0.184 0.000 2.238 209 K HA 0.442 4.763 4.320 0.001 0.000 0.239 209 K C -0.926 175.484 176.600 -0.317 0.000 0.987 209 K CA -1.031 55.087 56.287 -0.283 0.000 0.857 209 K CB 1.200 33.445 32.500 -0.425 0.000 1.154 209 K HN 0.489 nan 8.250 nan 0.000 0.439 210 L N 1.687 122.671 121.223 -0.398 0.000 2.287 210 L HA 0.400 4.740 4.340 0.001 0.000 0.287 210 L C -1.556 175.104 176.870 -0.350 0.000 1.022 210 L CA -0.278 54.423 54.840 -0.231 0.000 0.814 210 L CB 0.398 42.423 42.059 -0.056 0.000 1.217 210 L HN 0.417 nan 8.230 nan 0.000 0.420 211 Y N 3.882 124.087 120.300 -0.158 0.000 2.598 211 Y HA 0.497 5.047 4.550 0.001 0.000 0.340 211 Y C -1.189 174.785 175.900 0.124 0.000 1.038 211 Y CA -0.364 57.665 58.100 -0.119 0.000 1.100 211 Y CB 1.820 40.015 38.460 -0.442 0.000 1.281 211 Y HN 0.517 nan 8.280 nan 0.000 0.488 212 Y N 1.570 122.020 120.300 0.250 0.000 2.331 212 Y HA 0.392 4.942 4.550 0.001 0.000 0.334 212 Y C -1.210 174.788 175.900 0.164 0.000 0.960 212 Y CA -1.140 56.983 58.100 0.039 0.000 1.130 212 Y CB 0.563 38.892 38.460 -0.218 0.000 1.164 212 Y HN 0.707 nan 8.280 nan 0.000 0.458 213 H N 4.802 123.650 119.070 -0.370 0.000 2.519 213 H HA 0.575 5.131 4.556 0.001 0.000 0.316 213 H C -1.371 173.524 175.328 -0.720 0.000 1.065 213 H CA -0.545 55.273 56.048 -0.384 0.000 1.264 213 H CB 0.998 30.578 29.762 -0.304 0.000 1.413 213 H HN 0.510 nan 8.280 nan 0.000 0.465 214 V N 7.170 126.510 119.914 -0.956 0.000 2.432 214 V HA 0.027 4.147 4.120 0.001 0.000 0.271 214 V C 0.244 175.748 176.094 -0.983 0.000 1.046 214 V CA -0.701 61.138 62.300 -0.768 0.000 0.945 214 V CB 0.590 32.186 31.823 -0.378 0.000 0.992 214 V HN 0.674 nan 8.190 nan 0.000 0.471 215 L N 5.444 126.255 121.223 -0.686 0.000 2.540 215 L HA 0.482 4.823 4.340 0.001 0.000 0.276 215 L C 1.165 177.806 176.870 -0.381 0.000 1.212 215 L CA 1.921 56.429 54.840 -0.553 0.000 0.893 215 L CB 0.312 42.185 42.059 -0.311 0.000 1.138 215 L HN 0.976 nan 8.230 nan 0.000 0.491 216 G N 1.643 110.260 108.800 -0.304 0.000 2.144 216 G HA2 -0.215 3.745 3.960 0.001 0.000 0.218 216 G HA3 -0.215 3.745 3.960 0.001 0.000 0.218 216 G C 0.190 174.997 174.900 -0.156 0.000 0.988 216 G CA 0.262 45.257 45.100 -0.174 0.000 0.659 216 G HN 1.071 nan 8.290 nan 0.000 0.522 217 T N -2.251 112.176 114.554 -0.211 0.000 2.907 217 T HA 0.666 5.016 4.350 0.001 0.000 0.290 217 T C -0.869 173.824 174.700 -0.012 0.000 1.066 217 T CA -0.539 61.480 62.100 -0.134 0.000 1.012 217 T CB 2.605 71.356 68.868 -0.196 0.000 1.184 217 T HN -0.055 nan 8.240 nan 0.000 0.522 218 D N 0.893 121.290 120.400 -0.004 0.000 2.304 218 D HA 0.157 4.798 4.640 0.001 0.000 0.247 218 D C 1.185 177.514 176.300 0.048 0.000 1.089 218 D CA -0.282 53.726 54.000 0.013 0.000 0.910 218 D CB 1.533 42.325 40.800 -0.014 0.000 1.199 218 D HN 0.790 nan 8.370 nan 0.000 0.426 219 Q N 1.154 120.952 119.800 -0.003 0.000 2.234 219 Q HA -0.197 4.143 4.340 0.001 0.000 0.206 219 Q C 1.469 177.453 176.000 -0.027 0.000 0.980 219 Q CA 1.639 57.421 55.803 -0.035 0.000 0.869 219 Q CB 0.115 28.771 28.738 -0.137 0.000 0.912 219 Q HN 0.524 nan 8.270 nan 0.000 0.436 220 S N -0.343 115.339 115.700 -0.030 0.000 2.469 220 S HA -0.143 4.327 4.470 0.001 0.000 0.238 220 S C 1.184 175.782 174.600 -0.004 0.000 0.998 220 S CA 1.197 59.380 58.200 -0.028 0.000 0.957 220 S CB -0.102 63.084 63.200 -0.023 0.000 0.764 220 S HN 0.464 nan 8.310 nan 0.000 0.514 221 E N 1.104 121.310 120.200 0.009 0.000 2.489 221 E HA 0.084 4.434 4.350 0.001 0.000 0.193 221 E C -0.585 176.045 176.600 0.050 0.000 1.057 221 E CA -0.161 56.249 56.400 0.018 0.000 0.866 221 E CB 0.004 29.700 29.700 -0.007 0.000 0.916 221 E HN 0.521 nan 8.360 nan 0.000 0.500 222 D N 1.071 121.514 120.400 0.073 0.000 2.472 222 D HA -0.022 4.619 4.640 0.001 0.000 0.237 222 D C 0.111 176.552 176.300 0.235 0.000 1.141 222 D CA 0.427 54.519 54.000 0.153 0.000 0.875 222 D CB 0.703 41.607 40.800 0.173 0.000 1.192 222 D HN -0.054 nan 8.370 nan 0.000 0.450 223 I N 2.187 122.933 120.570 0.294 0.000 2.395 223 I HA 0.077 4.247 4.170 0.001 0.000 0.289 223 I C 0.356 176.679 176.117 0.343 0.000 1.023 223 I CA -0.786 60.681 61.300 0.280 0.000 1.350 223 I CB 0.495 38.632 38.000 0.229 0.000 1.409 223 I HN 0.214 nan 8.210 nan 0.000 0.507 224 L N 7.211 128.570 121.223 0.225 0.000 2.325 224 L HA 0.228 4.568 4.340 0.001 0.000 0.284 224 L C 0.468 177.352 176.870 0.022 0.000 1.089 224 L CA 0.475 55.306 54.840 -0.015 0.000 0.836 224 L CB 0.756 42.792 42.059 -0.039 0.000 1.184 224 L HN 0.736 nan 8.230 nan 0.000 0.444 225 C N 3.858 123.185 119.300 0.045 0.000 2.791 225 C HA 0.742 5.202 4.460 0.001 0.000 0.288 225 C C 0.871 176.043 174.990 0.302 0.000 1.271 225 C CA 0.119 59.260 59.018 0.205 0.000 1.726 225 C CB -0.922 27.054 27.740 0.394 0.000 2.145 225 C HN 0.910 nan 8.230 nan 0.000 0.572 226 A N 1.086 123.938 122.820 0.054 0.000 2.555 226 A HA 0.669 4.989 4.320 0.001 0.000 0.297 226 A C -1.193 176.074 177.584 -0.529 0.000 1.060 226 A CA -0.395 51.575 52.037 -0.111 0.000 0.710 226 A CB 0.977 19.901 19.000 -0.127 0.000 1.282 226 A HN 0.491 nan 8.150 nan 0.000 0.399 227 E N 0.205 119.946 120.200 -0.765 0.000 2.392 227 E HA 0.718 5.068 4.350 0.001 0.000 0.279 227 E C -1.844 174.203 176.600 -0.922 0.000 0.964 227 E CA -0.862 55.044 56.400 -0.823 0.000 0.777 227 E CB 1.405 30.896 29.700 -0.347 0.000 1.249 227 E HN 0.450 nan 8.360 nan 0.000 0.449 228 F N 0.978 120.945 119.950 0.029 0.000 2.584 228 F HA 0.337 4.865 4.527 0.001 0.000 0.328 228 F C -1.924 173.846 175.800 -0.048 0.000 1.407 228 F CA -2.019 55.954 58.000 -0.045 0.000 1.145 228 F CB 1.312 40.264 39.000 -0.080 0.000 1.440 228 F HN 0.347 nan 8.300 nan 0.000 0.580 229 P HA -0.149 nan 4.420 nan 0.000 0.221 229 P C 0.530 177.902 177.300 0.120 0.000 1.145 229 P CA 1.437 64.635 63.100 0.163 0.000 0.795 229 P CB 0.478 32.200 31.700 0.036 0.000 0.775 230 D N -0.382 120.010 120.400 -0.014 0.000 2.349 230 D HA 0.019 4.659 4.640 0.001 0.000 0.215 230 D C 0.374 176.549 176.300 -0.208 0.000 1.016 230 D CA 0.754 54.705 54.000 -0.082 0.000 0.870 230 D CB 0.288 41.032 40.800 -0.095 0.000 0.917 230 D HN 0.234 nan 8.370 nan 0.000 0.524 231 E N 0.353 120.355 120.200 -0.329 0.000 3.132 231 E HA 0.169 4.519 4.350 0.001 0.000 0.241 231 E C -2.013 174.363 176.600 -0.373 0.000 1.196 231 E CA -1.568 54.484 56.400 -0.579 0.000 0.869 231 E CB 1.891 30.628 29.700 -1.606 0.000 1.387 231 E HN -0.039 nan 8.360 nan 0.000 0.393 232 P HA -0.147 nan 4.420 nan 0.000 0.218 232 P C 0.928 178.072 177.300 -0.260 0.000 1.146 232 P CA 1.256 64.047 63.100 -0.516 0.000 0.813 232 P CB 0.369 31.725 31.700 -0.573 0.000 0.778 233 K N -3.045 117.277 120.400 -0.129 0.000 2.379 233 K HA -0.003 4.317 4.320 0.001 0.000 0.194 233 K C 0.210 176.955 176.600 0.241 0.000 1.031 233 K CA -0.062 56.230 56.287 0.008 0.000 1.037 233 K CB -0.010 32.471 32.500 -0.032 0.000 0.824 233 K HN 0.142 nan 8.250 nan 0.000 0.516 234 W N 1.690 122.948 121.300 -0.070 0.000 2.181 234 W HA 0.170 4.830 4.660 0.001 0.000 0.335 234 W C 0.153 176.635 176.519 -0.062 0.000 1.310 234 W CA -0.184 57.065 57.345 -0.160 0.000 1.226 234 W CB 0.018 29.218 29.460 -0.433 0.000 1.155 234 W HN -0.091 nan 8.180 nan 0.000 0.565 235 M N 3.059 122.701 119.600 0.070 0.000 2.165 235 M HA 0.365 4.846 4.480 0.001 0.000 0.283 235 M C 0.310 176.607 176.300 -0.005 0.000 0.978 235 M CA -0.385 54.973 55.300 0.096 0.000 0.948 235 M CB 1.891 34.542 32.600 0.085 0.000 1.599 235 M HN 0.506 nan 8.290 nan 0.000 0.450 236 G N 1.800 110.672 108.800 0.119 0.000 2.377 236 G HA2 0.616 4.577 3.960 0.001 0.000 0.316 236 G HA3 0.616 4.577 3.960 0.001 0.000 0.316 236 G C -0.182 174.713 174.900 -0.009 0.000 1.115 236 G CA -0.496 44.605 45.100 0.002 0.000 0.952 236 G HN 0.820 nan 8.290 nan 0.000 0.441 237 G N 0.618 109.394 108.800 -0.040 0.000 2.332 237 G HA2 0.678 4.639 3.960 0.001 0.000 0.310 237 G HA3 0.678 4.639 3.960 0.001 0.000 0.310 237 G C -0.085 174.812 174.900 -0.006 0.000 1.123 237 G CA -0.010 45.097 45.100 0.011 0.000 0.873 237 G HN 0.964 nan 8.290 nan 0.000 0.460 238 A N 2.292 125.126 122.820 0.023 0.000 2.325 238 A HA 0.874 5.195 4.320 0.001 0.000 0.333 238 A C -0.047 177.586 177.584 0.082 0.000 1.155 238 A CA -0.706 51.322 52.037 -0.015 0.000 0.814 238 A CB 1.131 20.000 19.000 -0.217 0.000 1.206 238 A HN 0.891 nan 8.150 nan 0.000 0.482 239 E N 1.800 122.054 120.200 0.090 0.000 2.366 239 E HA 0.527 4.878 4.350 0.001 0.000 0.278 239 E C -1.804 174.888 176.600 0.155 0.000 0.923 239 E CA -0.896 55.605 56.400 0.169 0.000 0.761 239 E CB 1.110 30.916 29.700 0.176 0.000 1.231 239 E HN 0.366 nan 8.360 nan 0.000 0.443 240 L N 2.615 123.977 121.223 0.232 0.000 2.325 240 L HA 0.302 4.642 4.340 0.001 0.000 0.279 240 L C 0.711 177.648 176.870 0.111 0.000 1.054 240 L CA -0.277 54.677 54.840 0.191 0.000 0.804 240 L CB 1.373 43.589 42.059 0.262 0.000 1.200 240 L HN 0.888 nan 8.230 nan 0.000 0.436 241 S N 1.188 116.905 115.700 0.028 0.000 2.580 241 S HA 0.022 4.492 4.470 0.001 0.000 0.266 241 S C 0.786 175.492 174.600 0.176 0.000 1.354 241 S CA -0.559 57.628 58.200 -0.021 0.000 1.008 241 S CB 0.738 64.031 63.200 0.154 0.000 0.898 241 S HN 0.557 nan 8.310 nan 0.000 0.555 242 D N 1.258 121.851 120.400 0.323 0.000 2.182 242 D HA -0.106 4.534 4.640 0.001 0.000 0.201 242 D C 1.224 177.694 176.300 0.284 0.000 0.986 242 D CA 1.679 55.868 54.000 0.316 0.000 0.847 242 D CB -0.438 40.499 40.800 0.227 0.000 0.942 242 D HN 0.884 nan 8.370 nan 0.000 0.467 243 D N -1.285 119.212 120.400 0.161 0.000 2.339 243 D HA 0.128 4.768 4.640 0.001 0.000 0.217 243 D C 1.554 177.863 176.300 0.016 0.000 1.050 243 D CA 0.679 54.754 54.000 0.124 0.000 0.856 243 D CB -0.235 40.616 40.800 0.085 0.000 0.922 243 D HN 0.165 nan 8.370 nan 0.000 0.518 244 G N 1.156 109.780 108.800 -0.293 0.000 2.189 244 G HA2 -0.458 3.502 3.960 0.001 0.000 0.267 244 G HA3 -0.458 3.502 3.960 0.001 0.000 0.267 244 G C 1.144 175.910 174.900 -0.223 0.000 0.975 244 G CA 0.542 45.199 45.100 -0.739 0.000 0.644 244 G HN 0.530 nan 8.290 nan 0.000 0.537 245 R N -0.953 119.493 120.500 -0.090 0.000 2.127 245 R HA 0.228 4.569 4.340 0.001 0.000 0.217 245 R C 0.162 176.305 176.300 -0.261 0.000 1.074 245 R CA 0.785 56.774 56.100 -0.185 0.000 0.991 245 R CB 0.040 30.176 30.300 -0.273 0.000 0.895 245 R HN 0.432 nan 8.270 nan 0.000 0.450 246 Y N -0.642 119.716 120.300 0.098 0.000 2.446 246 Y HA 0.377 4.927 4.550 0.001 0.000 0.345 246 Y C -0.499 175.473 175.900 0.120 0.000 0.984 246 Y CA -1.172 57.020 58.100 0.154 0.000 1.058 246 Y CB 2.149 40.763 38.460 0.256 0.000 1.220 246 Y HN -0.346 nan 8.280 nan 0.000 0.455 247 V N 4.945 125.031 119.914 0.287 0.000 2.407 247 V HA 0.327 4.447 4.120 0.001 0.000 0.278 247 V C -0.223 176.067 176.094 0.326 0.000 1.037 247 V CA -0.726 61.692 62.300 0.197 0.000 0.900 247 V CB 0.840 32.680 31.823 0.027 0.000 0.983 247 V HN 0.553 nan 8.190 nan 0.000 0.459 248 L N 5.807 127.164 121.223 0.223 0.000 2.296 248 L HA 0.554 4.895 4.340 0.001 0.000 0.286 248 L C -0.619 176.335 176.870 0.140 0.000 1.023 248 L CA -0.595 54.380 54.840 0.226 0.000 0.812 248 L CB 1.605 43.744 42.059 0.133 0.000 1.223 248 L HN 0.451 nan 8.230 nan 0.000 0.421 249 L N 2.833 124.099 121.223 0.073 0.000 2.298 249 L HA 0.414 4.754 4.340 0.001 0.000 0.284 249 L C -0.247 176.481 176.870 -0.236 0.000 1.013 249 L CA 0.316 55.043 54.840 -0.188 0.000 0.824 249 L CB 1.570 43.251 42.059 -0.631 0.000 1.221 249 L HN 0.482 nan 8.230 nan 0.000 0.418 250 S N 6.418 122.017 115.700 -0.167 0.000 2.420 250 S HA 0.568 5.039 4.470 0.001 0.000 0.313 250 S C -0.117 174.325 174.600 -0.262 0.000 1.079 250 S CA -0.353 57.748 58.200 -0.164 0.000 1.104 250 S CB 0.216 63.401 63.200 -0.024 0.000 0.969 250 S HN 0.461 nan 8.310 nan 0.000 0.471 251 I N 4.065 124.375 120.570 -0.433 0.000 2.331 251 I HA 0.419 4.590 4.170 0.001 0.000 0.292 251 I C 0.472 176.432 176.117 -0.261 0.000 0.998 251 I CA -0.421 60.573 61.300 -0.511 0.000 1.267 251 I CB 0.924 38.325 38.000 -0.998 0.000 1.386 251 I HN 0.325 nan 8.210 nan 0.000 0.476 252 R N 4.653 125.016 120.500 -0.229 0.000 2.711 252 R HA 0.563 4.904 4.340 0.001 0.000 0.284 252 R C -0.797 175.279 176.300 -0.374 0.000 0.968 252 R CA -0.862 55.106 56.100 -0.219 0.000 0.924 252 R CB 2.487 32.706 30.300 -0.133 0.000 1.162 252 R HN 0.557 nan 8.270 nan 0.000 0.465 253 E N 1.339 121.166 120.200 -0.622 0.000 2.343 253 E HA 0.381 4.731 4.350 0.001 0.000 0.260 253 E C -0.620 175.771 176.600 -0.350 0.000 0.908 253 E CA -0.209 55.892 56.400 -0.498 0.000 0.814 253 E CB 1.156 30.397 29.700 -0.766 0.000 1.302 253 E HN 0.840 nan 8.360 nan 0.000 0.408 254 G N 1.689 110.413 108.800 -0.128 0.000 2.582 254 G HA2 -0.236 3.725 3.960 0.001 0.000 0.222 254 G HA3 -0.236 3.725 3.960 0.001 0.000 0.222 254 G C 0.282 175.169 174.900 -0.022 0.000 1.311 254 G CA -0.287 44.786 45.100 -0.044 0.000 0.915 254 G HN 0.578 nan 8.290 nan 0.000 0.528 255 C N 0.888 120.228 119.300 0.068 0.000 3.183 255 C HA 0.375 4.835 4.460 0.001 0.000 0.285 255 C C 0.635 175.681 174.990 0.093 0.000 1.313 255 C CA -0.383 58.711 59.018 0.126 0.000 1.711 255 C CB -1.075 26.876 27.740 0.352 0.000 2.135 255 C HN 0.608 nan 8.230 nan 0.000 0.651 256 D N 2.875 123.304 120.400 0.048 0.000 2.362 256 D HA 0.123 4.764 4.640 0.001 0.000 0.242 256 D C -2.018 174.309 176.300 0.045 0.000 1.132 256 D CA -0.888 53.158 54.000 0.077 0.000 0.907 256 D CB 0.531 41.360 40.800 0.048 0.000 1.195 256 D HN 0.157 nan 8.370 nan 0.000 0.429 257 P HA 0.053 nan 4.420 nan 0.000 0.237 257 P C -0.654 176.676 177.300 0.049 0.000 1.788 257 P CA -0.125 63.020 63.100 0.074 0.000 1.061 257 P CB -0.116 31.671 31.700 0.146 0.000 1.967 258 V N 0.019 119.952 119.914 0.031 0.000 3.147 258 V HA 0.793 4.913 4.120 0.001 0.000 0.306 258 V C -1.316 174.826 176.094 0.080 0.000 1.209 258 V CA -1.048 61.278 62.300 0.044 0.000 1.023 258 V CB 2.905 34.770 31.823 0.070 0.000 1.059 258 V HN 0.510 nan 8.190 nan 0.000 0.435 259 N N 0.650 119.428 118.700 0.130 0.000 2.815 259 N HA 0.359 5.099 4.740 0.001 0.000 0.253 259 N C -1.359 174.142 175.510 -0.015 0.000 1.202 259 N CA -0.876 52.233 53.050 0.098 0.000 0.925 259 N CB 2.125 40.623 38.487 0.019 0.000 1.622 259 N HN 0.839 nan 8.380 nan 0.000 0.497 260 R N 0.181 120.506 120.500 -0.291 0.000 2.615 260 R HA 0.421 4.761 4.340 0.001 0.000 0.270 260 R C -0.582 175.508 176.300 -0.350 0.000 1.081 260 R CA -0.663 55.156 56.100 -0.469 0.000 1.154 260 R CB 0.693 30.472 30.300 -0.868 0.000 1.063 260 R HN 0.464 nan 8.270 nan 0.000 0.519 261 L N 3.221 124.299 121.223 -0.242 0.000 2.406 261 L HA 0.391 4.731 4.340 0.001 0.000 0.270 261 L C -1.786 175.137 176.870 0.088 0.000 0.982 261 L CA -0.344 54.410 54.840 -0.142 0.000 0.843 261 L CB 1.187 43.123 42.059 -0.204 0.000 1.225 261 L HN 0.642 nan 8.230 nan 0.000 0.412 262 W N 4.992 126.195 121.300 -0.162 0.000 2.706 262 W HA 0.598 5.258 4.660 0.001 0.000 0.346 262 W C -0.296 176.286 176.519 0.104 0.000 1.071 262 W CA -0.972 56.300 57.345 -0.122 0.000 1.206 262 W CB 1.155 30.482 29.460 -0.221 0.000 1.413 262 W HN 0.468 nan 8.180 nan 0.000 0.542 263 Y N -0.643 119.838 120.300 0.303 0.000 2.576 263 Y HA 0.709 5.260 4.550 0.001 0.000 0.346 263 Y C -1.010 175.088 175.900 0.330 0.000 1.018 263 Y CA -2.072 56.196 58.100 0.281 0.000 1.050 263 Y CB 1.531 39.938 38.460 -0.087 0.000 1.280 263 Y HN 0.484 nan 8.280 nan 0.000 0.474 264 C N 3.381 122.960 119.300 0.465 0.000 2.432 264 C HA 0.416 4.876 4.460 0.001 0.000 0.334 264 C C -1.011 174.131 174.990 0.253 0.000 1.155 264 C CA -0.603 58.471 59.018 0.093 0.000 1.335 264 C CB -0.115 27.340 27.740 -0.474 0.000 1.964 264 C HN 0.921 nan 8.230 nan 0.000 0.444 265 D N 4.619 125.174 120.400 0.257 0.000 2.344 265 D HA 0.136 4.776 4.640 0.001 0.000 0.253 265 D C 1.149 177.395 176.300 -0.089 0.000 1.255 265 D CA -0.004 53.992 54.000 -0.006 0.000 0.894 265 D CB 0.655 41.484 40.800 0.049 0.000 1.067 265 D HN 0.715 nan 8.370 nan 0.000 0.492 266 L N 2.895 124.045 121.223 -0.122 0.000 2.187 266 L HA -0.175 4.165 4.340 0.001 0.000 0.213 266 L C 2.397 179.214 176.870 -0.088 0.000 1.100 266 L CA 0.833 55.617 54.840 -0.092 0.000 0.765 266 L CB -0.321 41.706 42.059 -0.055 0.000 0.904 266 L HN 0.547 nan 8.230 nan 0.000 0.437 267 Q N 0.196 119.935 119.800 -0.102 0.000 2.170 267 Q HA -0.222 4.119 4.340 0.001 0.000 0.203 267 Q C 1.779 177.748 176.000 -0.052 0.000 0.976 267 Q CA 1.368 57.129 55.803 -0.070 0.000 0.858 267 Q CB 0.059 28.751 28.738 -0.077 0.000 0.907 267 Q HN 0.533 nan 8.270 nan 0.000 0.433 268 Q N 0.517 120.284 119.800 -0.054 0.000 2.444 268 Q HA 0.058 4.398 4.340 0.001 0.000 0.206 268 Q C -0.164 175.800 176.000 -0.059 0.000 0.948 268 Q CA 0.199 55.977 55.803 -0.041 0.000 0.946 268 Q CB 0.368 29.094 28.738 -0.020 0.000 1.027 268 Q HN 0.311 nan 8.270 nan 0.000 0.513 269 E N 0.477 120.631 120.200 -0.076 0.000 2.384 269 E HA 0.044 4.394 4.350 0.001 0.000 0.266 269 E C 0.815 177.378 176.600 -0.062 0.000 1.012 269 E CA 0.037 56.385 56.400 -0.087 0.000 0.901 269 E CB 1.145 30.783 29.700 -0.104 0.000 0.967 269 E HN -0.015 nan 8.360 nan 0.000 0.435 270 S N 2.531 118.196 115.700 -0.058 0.000 2.400 270 S HA -0.199 4.272 4.470 0.001 0.000 0.232 270 S C 0.864 175.444 174.600 -0.034 0.000 1.025 270 S CA 1.371 59.546 58.200 -0.042 0.000 0.993 270 S CB -0.033 63.144 63.200 -0.039 0.000 0.808 270 S HN 0.517 nan 8.310 nan 0.000 0.478 271 N N -0.660 118.017 118.700 -0.039 0.000 2.728 271 N HA 0.381 5.122 4.740 0.001 0.000 0.221 271 N C -0.259 175.228 175.510 -0.037 0.000 1.412 271 N CA 0.453 53.485 53.050 -0.031 0.000 1.003 271 N CB 0.418 38.892 38.487 -0.022 0.000 1.525 271 N HN 0.333 nan 8.380 nan 0.000 0.552 272 G N 0.716 109.487 108.800 -0.048 0.000 2.698 272 G HA2 -0.266 3.694 3.960 0.001 0.000 0.233 272 G HA3 -0.266 3.694 3.960 0.001 0.000 0.233 272 G C -0.319 174.525 174.900 -0.094 0.000 1.352 272 G CA -0.446 44.616 45.100 -0.064 0.000 0.879 272 G HN 0.276 nan 8.290 nan 0.000 0.567 273 I N 1.969 122.454 120.570 -0.142 0.000 2.329 273 I HA 0.331 4.502 4.170 0.001 0.000 0.295 273 I C 1.603 177.672 176.117 -0.080 0.000 1.109 273 I CA 0.742 61.932 61.300 -0.184 0.000 1.297 273 I CB 0.804 38.516 38.000 -0.479 0.000 1.433 273 I HN 0.792 nan 8.210 nan 0.000 0.509 274 T N 0.512 115.038 114.554 -0.048 0.000 3.016 274 T HA 0.521 4.871 4.350 0.001 0.000 0.271 274 T C 0.529 175.235 174.700 0.010 0.000 0.968 274 T CA 0.122 62.217 62.100 -0.008 0.000 0.891 274 T CB 0.797 69.656 68.868 -0.014 0.000 1.149 274 T HN 0.678 nan 8.240 nan 0.000 0.524 275 G N 1.370 110.171 108.800 0.002 0.000 2.435 275 G HA2 0.423 4.383 3.960 0.001 0.000 0.228 275 G HA3 0.423 4.383 3.960 0.001 0.000 0.228 275 G C -1.688 173.222 174.900 0.016 0.000 1.198 275 G CA -0.902 44.210 45.100 0.021 0.000 0.948 275 G HN 0.186 nan 8.290 nan 0.000 0.487 276 I N 2.479 123.062 120.570 0.022 0.000 2.662 276 I HA 0.146 4.316 4.170 0.001 0.000 0.285 276 I C 1.026 177.106 176.117 -0.061 0.000 1.161 276 I CA 0.227 61.558 61.300 0.052 0.000 1.415 276 I CB -0.319 37.727 38.000 0.076 0.000 1.385 276 I HN 0.250 nan 8.210 nan 0.000 0.552 277 L N 7.012 128.109 121.223 -0.211 0.000 2.476 277 L HA 0.124 4.465 4.340 0.001 0.000 0.264 277 L C 1.083 177.598 176.870 -0.592 0.000 1.224 277 L CA -0.439 54.060 54.840 -0.568 0.000 0.821 277 L CB 0.077 41.484 42.059 -1.088 0.000 1.101 277 L HN 0.476 nan 8.230 nan 0.000 0.488 278 K N 2.057 122.177 120.400 -0.466 0.000 2.480 278 K HA 0.075 4.395 4.320 0.001 0.000 0.241 278 K C -0.986 175.421 176.600 -0.321 0.000 1.261 278 K CA -0.078 56.031 56.287 -0.297 0.000 1.193 278 K CB -0.238 32.143 32.500 -0.199 0.000 1.598 278 K HN 0.302 nan 8.250 nan 0.000 0.278 279 W N 1.244 122.461 121.300 -0.138 0.000 2.223 279 W HA 0.038 4.699 4.660 0.001 0.000 0.334 279 W C 0.293 176.554 176.519 -0.430 0.000 1.334 279 W CA -0.754 56.462 57.345 -0.214 0.000 1.246 279 W CB 0.456 29.839 29.460 -0.128 0.000 1.184 279 W HN 0.005 nan 8.180 nan 0.000 0.563 280 V N 4.534 124.238 119.914 -0.351 0.000 2.347 280 V HA 0.163 4.284 4.120 0.001 0.000 0.280 280 V C 0.152 175.871 176.094 -0.625 0.000 1.021 280 V CA -1.427 60.488 62.300 -0.643 0.000 0.847 280 V CB 1.095 32.212 31.823 -1.176 0.000 0.990 280 V HN 0.406 nan 8.190 nan 0.000 0.444 281 K N 4.629 124.670 120.400 -0.597 0.000 2.307 281 K HA 0.154 4.474 4.320 0.001 0.000 0.240 281 K C 0.947 177.393 176.600 -0.255 0.000 1.214 281 K CA -0.285 55.636 56.287 -0.611 0.000 1.149 281 K CB 0.440 32.450 32.500 -0.816 0.000 1.668 281 K HN 0.526 nan 8.250 nan 0.000 0.314 282 L N 1.847 122.965 121.223 -0.174 0.000 1.971 282 L HA -0.133 4.207 4.340 0.001 0.000 0.215 282 L C 0.530 177.344 176.870 -0.093 0.000 1.072 282 L CA 1.875 56.646 54.840 -0.114 0.000 0.758 282 L CB 0.178 42.167 42.059 -0.117 0.000 0.889 282 L HN 0.411 nan 8.230 nan 0.000 0.433 283 I N 0.539 121.043 120.570 -0.109 0.000 2.437 283 I HA 0.200 4.371 4.170 0.001 0.000 0.279 283 I C -0.711 175.364 176.117 -0.071 0.000 1.028 283 I CA -0.276 60.924 61.300 -0.166 0.000 1.142 283 I CB 0.728 38.463 38.000 -0.442 0.000 1.266 283 I HN 0.104 nan 8.210 nan 0.000 0.461 284 D N 5.765 126.137 120.400 -0.046 0.000 3.163 284 D HA 0.250 4.890 4.640 0.001 0.000 0.284 284 D C -0.335 175.874 176.300 -0.151 0.000 1.368 284 D CA -0.044 53.950 54.000 -0.011 0.000 0.895 284 D CB 0.202 41.019 40.800 0.029 0.000 1.061 284 D HN 0.702 nan 8.370 nan 0.000 0.496 285 N N -2.083 116.443 118.700 -0.290 0.000 3.116 285 N HA 0.261 5.001 4.740 0.001 0.000 0.244 285 N C -1.175 174.067 175.510 -0.446 0.000 1.485 285 N CA -0.771 52.075 53.050 -0.340 0.000 0.884 285 N CB 0.206 38.633 38.487 -0.101 0.000 1.415 285 N HN -0.199 nan 8.380 nan 0.000 0.524 286 F N -0.218 119.684 119.950 -0.080 0.000 2.837 286 F HA 0.420 4.948 4.527 0.001 0.000 0.298 286 F C 1.010 176.789 175.800 -0.036 0.000 1.161 286 F CA -0.452 57.491 58.000 -0.096 0.000 1.353 286 F CB 0.127 39.045 39.000 -0.138 0.000 0.951 286 F HN 0.594 nan 8.300 nan 0.000 0.508 287 E N 0.139 120.412 120.200 0.122 0.000 2.371 287 E HA 0.209 4.559 4.350 0.001 0.000 0.194 287 E C 1.307 177.924 176.600 0.029 0.000 1.012 287 E CA 0.332 56.776 56.400 0.074 0.000 0.860 287 E CB 0.332 30.064 29.700 0.054 0.000 0.811 287 E HN 0.408 nan 8.360 nan 0.000 0.502 288 G N 0.442 109.288 108.800 0.076 0.000 2.660 288 G HA2 0.291 4.251 3.960 0.001 0.000 0.290 288 G HA3 0.291 4.251 3.960 0.001 0.000 0.290 288 G C -1.778 173.004 174.900 -0.196 0.000 1.432 288 G CA -0.725 44.315 45.100 -0.100 0.000 0.807 288 G HN -0.019 nan 8.290 nan 0.000 0.485 289 E N -0.734 119.239 120.200 -0.378 0.000 2.231 289 E HA 0.595 4.946 4.350 0.001 0.000 0.277 289 E C -1.480 174.727 176.600 -0.655 0.000 0.999 289 E CA -0.703 55.529 56.400 -0.280 0.000 0.827 289 E CB 1.158 30.831 29.700 -0.046 0.000 1.101 289 E HN 0.391 nan 8.360 nan 0.000 0.393 290 Y N 2.417 122.702 120.300 -0.025 0.000 2.373 290 Y HA 0.200 4.751 4.550 0.001 0.000 0.327 290 Y C -0.723 175.270 175.900 0.155 0.000 1.036 290 Y CA -1.056 56.982 58.100 -0.104 0.000 1.265 290 Y CB 1.369 39.508 38.460 -0.536 0.000 1.108 290 Y HN 0.401 nan 8.280 nan 0.000 0.471 291 D N 2.593 123.222 120.400 0.382 0.000 2.392 291 D HA 0.069 4.710 4.640 0.001 0.000 0.228 291 D C -0.853 175.751 176.300 0.507 0.000 1.074 291 D CA -0.601 53.627 54.000 0.380 0.000 0.838 291 D CB 0.530 41.457 40.800 0.211 0.000 1.067 291 D HN 0.441 nan 8.370 nan 0.000 0.511 292 Y N 3.910 124.449 120.300 0.399 0.000 2.632 292 Y HA 0.072 4.622 4.550 0.001 0.000 0.329 292 Y C 0.459 176.383 175.900 0.040 0.000 1.174 292 Y CA 0.338 58.524 58.100 0.143 0.000 1.469 292 Y CB 0.687 39.258 38.460 0.184 0.000 1.242 292 Y HN 0.235 nan 8.280 nan 0.000 0.540 293 V N 3.945 123.433 119.914 -0.710 0.000 2.627 293 V HA 0.167 4.287 4.120 0.001 0.000 0.239 293 V C 0.602 176.125 176.094 -0.953 0.000 1.077 293 V CA 1.273 63.221 62.300 -0.587 0.000 1.103 293 V CB 0.348 31.986 31.823 -0.310 0.000 0.802 293 V HN 0.846 nan 8.190 nan 0.000 0.482 294 T N 0.098 113.953 114.554 -1.165 0.000 2.686 294 T HA 0.347 4.697 4.350 0.001 0.000 0.308 294 T C -2.287 172.017 174.700 -0.660 0.000 1.667 294 T CA -0.491 61.106 62.100 -0.838 0.000 0.987 294 T CB 1.595 70.244 68.868 -0.366 0.000 1.652 294 T HN 0.537 nan 8.240 nan 0.000 0.496 295 N N 1.058 119.470 118.700 -0.480 0.000 2.494 295 N HA 0.461 5.202 4.740 0.001 0.000 0.270 295 N C -1.828 173.428 175.510 -0.424 0.000 1.285 295 N CA -0.720 51.885 53.050 -0.740 0.000 0.812 295 N CB 2.219 39.669 38.487 -1.729 0.000 1.557 295 N HN 0.493 nan 8.380 nan 0.000 0.487 296 E N 0.448 120.424 120.200 -0.372 0.000 2.402 296 E HA 0.390 4.740 4.350 0.001 0.000 0.244 296 E C 0.663 177.163 176.600 -0.166 0.000 0.945 296 E CA -0.152 56.131 56.400 -0.196 0.000 0.774 296 E CB 0.995 30.613 29.700 -0.136 0.000 1.296 296 E HN 0.990 nan 8.360 nan 0.000 0.414 297 G N 3.079 111.816 108.800 -0.105 0.000 2.561 297 G HA2 -0.415 3.546 3.960 0.001 0.000 0.289 297 G HA3 -0.415 3.546 3.960 0.001 0.000 0.289 297 G C 0.948 175.831 174.900 -0.028 0.000 1.169 297 G CA 0.745 45.839 45.100 -0.011 0.000 0.980 297 G HN 0.550 nan 8.290 nan 0.000 0.550 298 T N -1.375 113.180 114.554 0.003 0.000 3.129 298 T HA 0.436 4.787 4.350 0.001 0.000 0.251 298 T C 0.851 175.472 174.700 -0.132 0.000 1.117 298 T CA 0.997 63.073 62.100 -0.039 0.000 1.034 298 T CB 0.191 69.104 68.868 0.075 0.000 0.968 298 T HN 1.021 nan 8.240 nan 0.000 0.526 299 V N 2.751 122.578 119.914 -0.146 0.000 2.353 299 V HA 0.405 4.525 4.120 0.001 0.000 0.264 299 V C -0.627 175.296 176.094 -0.286 0.000 1.049 299 V CA -0.851 61.373 62.300 -0.126 0.000 0.896 299 V CB -0.552 31.221 31.823 -0.083 0.000 1.025 299 V HN 0.327 nan 8.190 nan 0.000 0.475 300 F N 2.555 122.257 119.950 -0.412 0.000 2.415 300 F HA 0.452 4.980 4.527 0.001 0.000 0.348 300 F C 0.936 176.484 175.800 -0.419 0.000 1.119 300 F CA -0.361 57.353 58.000 -0.477 0.000 1.069 300 F CB 1.726 40.359 39.000 -0.612 0.000 1.124 300 F HN 0.319 nan 8.300 nan 0.000 0.472 301 T N 5.040 119.345 114.554 -0.415 0.000 2.744 301 T HA 0.528 4.878 4.350 0.001 0.000 0.291 301 T C -0.814 173.631 174.700 -0.425 0.000 0.957 301 T CA -0.192 61.730 62.100 -0.297 0.000 1.002 301 T CB 0.064 68.781 68.868 -0.252 0.000 0.919 301 T HN 0.160 nan 8.240 nan 0.000 0.468 302 F N 1.709 121.673 119.950 0.023 0.000 2.551 302 F HA 0.498 5.026 4.527 0.001 0.000 0.316 302 F C 0.379 176.199 175.800 0.034 0.000 1.089 302 F CA -1.277 56.764 58.000 0.069 0.000 0.915 302 F CB 1.885 40.975 39.000 0.151 0.000 1.186 302 F HN 0.292 nan 8.300 nan 0.000 0.456 303 K N 1.455 122.000 120.400 0.240 0.000 2.234 303 K HA 0.547 4.868 4.320 0.001 0.000 0.282 303 K C -0.680 176.016 176.600 0.161 0.000 1.039 303 K CA -0.007 56.372 56.287 0.153 0.000 0.928 303 K CB 1.209 33.771 32.500 0.102 0.000 1.039 303 K HN 0.770 nan 8.250 nan 0.000 0.470 304 T N 1.676 116.293 114.554 0.105 0.000 2.864 304 T HA 0.281 4.632 4.350 0.001 0.000 0.299 304 T C -0.522 174.094 174.700 -0.140 0.000 1.166 304 T CA -0.827 61.217 62.100 -0.094 0.000 1.007 304 T CB 0.842 69.579 68.868 -0.218 0.000 1.219 304 T HN 0.804 nan 8.240 nan 0.000 0.506 305 N N 0.977 119.454 118.700 -0.372 0.000 2.200 305 N HA 0.153 4.894 4.740 0.001 0.000 0.224 305 N C 0.102 175.404 175.510 -0.347 0.000 1.179 305 N CA -0.533 52.166 53.050 -0.584 0.000 0.877 305 N CB -0.033 37.847 38.487 -1.013 0.000 1.072 305 N HN 0.340 nan 8.380 nan 0.000 0.519 306 R N 1.787 122.124 120.500 -0.272 0.000 2.483 306 R HA -0.015 4.326 4.340 0.001 0.000 0.329 306 R C -0.242 175.999 176.300 -0.099 0.000 0.961 306 R CA 0.387 56.370 56.100 -0.194 0.000 1.041 306 R CB -1.269 29.052 30.300 0.035 0.000 0.930 306 R HN 0.266 nan 8.270 nan 0.000 0.413 307 H N 1.250 120.309 119.070 -0.018 0.000 2.776 307 H HA -0.187 4.369 4.556 0.001 0.000 0.300 307 H C -0.854 174.461 175.328 -0.022 0.000 1.161 307 H CA 1.433 57.474 56.048 -0.011 0.000 1.147 307 H CB -1.751 28.019 29.762 0.013 0.000 1.366 307 H HN 0.623 nan 8.280 nan 0.000 0.397 308 S N -1.353 114.335 115.700 -0.020 0.000 2.356 308 S HA 0.284 4.754 4.470 0.001 0.000 0.171 308 S C -1.616 172.886 174.600 -0.164 0.000 1.399 308 S CA -0.821 57.355 58.200 -0.039 0.000 1.225 308 S CB 2.716 65.907 63.200 -0.016 0.000 1.271 308 S HN -0.082 nan 8.310 nan 0.000 0.427 309 P HA -0.051 nan 4.420 nan 0.000 0.225 309 P C 0.336 177.599 177.300 -0.062 0.000 1.148 309 P CA 0.925 63.947 63.100 -0.131 0.000 0.779 309 P CB -0.005 31.690 31.700 -0.009 0.000 0.780 310 N N -1.534 117.198 118.700 0.053 0.000 2.280 310 N HA 0.039 4.780 4.740 0.001 0.000 0.192 310 N C -0.283 175.451 175.510 0.375 0.000 1.109 310 N CA -0.032 53.161 53.050 0.239 0.000 0.855 310 N CB -0.420 38.203 38.487 0.226 0.000 0.974 310 N HN 0.116 nan 8.380 nan 0.000 0.482 311 Y N -0.205 120.126 120.300 0.051 0.000 2.515 311 Y HA -0.324 4.226 4.550 0.001 0.000 0.021 311 Y C 0.611 176.533 175.900 0.037 0.000 1.710 311 Y CA -0.082 58.029 58.100 0.019 0.000 1.413 311 Y CB -0.518 37.929 38.460 -0.023 0.000 2.059 311 Y HN 0.223 nan 8.280 nan 0.000 0.255 312 R N 0.434 121.030 120.500 0.160 0.000 2.762 312 R HA 0.907 5.248 4.340 0.001 0.000 0.271 312 R C -2.239 174.116 176.300 0.092 0.000 1.038 312 R CA -1.345 54.824 56.100 0.116 0.000 0.906 312 R CB 1.520 31.887 30.300 0.111 0.000 1.259 312 R HN 0.516 nan 8.270 nan 0.000 0.457 313 L N 2.263 123.529 121.223 0.071 0.000 2.313 313 L HA 0.623 4.963 4.340 0.001 0.000 0.283 313 L C -0.226 176.702 176.870 0.097 0.000 1.013 313 L CA -0.947 53.931 54.840 0.063 0.000 0.816 313 L CB 1.708 43.770 42.059 0.004 0.000 1.236 313 L HN 0.574 nan 8.230 nan 0.000 0.419 314 I N -0.027 120.619 120.570 0.128 0.000 2.892 314 I HA 0.540 4.711 4.170 0.001 0.000 0.306 314 I C -0.957 175.232 176.117 0.120 0.000 1.078 314 I CA -0.753 60.636 61.300 0.149 0.000 1.032 314 I CB 2.292 40.408 38.000 0.194 0.000 1.229 314 I HN 0.498 nan 8.210 nan 0.000 0.435 315 N N 4.116 122.880 118.700 0.107 0.000 2.392 315 N HA 0.604 5.344 4.740 0.001 0.000 0.283 315 N C -1.307 174.240 175.510 0.061 0.000 1.003 315 N CA -0.628 52.465 53.050 0.071 0.000 0.892 315 N CB 2.267 40.787 38.487 0.055 0.000 1.193 315 N HN 0.459 nan 8.380 nan 0.000 0.487 316 I N 1.249 121.846 120.570 0.046 0.000 2.389 316 I HA 0.161 4.332 4.170 0.001 0.000 0.288 316 I C -0.576 175.629 176.117 0.146 0.000 0.999 316 I CA -0.685 60.603 61.300 -0.019 0.000 1.129 316 I CB 1.522 39.406 38.000 -0.192 0.000 1.288 316 I HN 0.397 nan 8.210 nan 0.000 0.444 317 D N 6.060 126.573 120.400 0.189 0.000 2.313 317 D HA 0.152 4.793 4.640 0.001 0.000 0.239 317 D C 0.808 177.285 176.300 0.295 0.000 1.142 317 D CA -0.260 53.840 54.000 0.167 0.000 0.847 317 D CB 0.870 41.762 40.800 0.152 0.000 1.082 317 D HN 0.232 nan 8.370 nan 0.000 0.480 318 F N 1.550 121.516 119.950 0.027 0.000 2.307 318 F HA -0.137 4.390 4.527 0.001 0.000 0.301 318 F C 2.537 178.384 175.800 0.079 0.000 1.076 318 F CA 1.188 59.171 58.000 -0.029 0.000 1.383 318 F CB -1.284 37.550 39.000 -0.276 0.000 1.055 318 F HN 0.442 nan 8.300 nan 0.000 0.526 319 T N -3.885 110.832 114.554 0.272 0.000 3.100 319 T HA 0.016 4.366 4.350 0.001 0.000 0.253 319 T C 0.375 175.176 174.700 0.169 0.000 1.118 319 T CA 0.592 62.811 62.100 0.199 0.000 1.058 319 T CB -0.010 68.952 68.868 0.157 0.000 0.953 319 T HN 0.033 nan 8.240 nan 0.000 0.515 320 D N 1.280 121.795 120.400 0.192 0.000 2.978 320 D HA 0.284 4.925 4.640 0.001 0.000 0.268 320 D C -2.245 174.197 176.300 0.237 0.000 1.252 320 D CA -1.686 52.419 54.000 0.173 0.000 0.771 320 D CB 1.225 42.115 40.800 0.150 0.000 1.361 320 D HN 0.033 nan 8.370 nan 0.000 0.558 321 P HA -0.019 nan 4.420 nan 0.000 0.233 321 P C -0.057 177.476 177.300 0.388 0.000 1.167 321 P CA 0.309 63.609 63.100 0.334 0.000 0.770 321 P CB 0.282 32.125 31.700 0.239 0.000 0.837 322 E N 0.615 120.929 120.200 0.190 0.000 2.442 322 E HA -0.078 4.272 4.350 0.001 0.000 0.262 322 E C 1.270 177.729 176.600 -0.236 0.000 1.004 322 E CA 0.015 56.429 56.400 0.023 0.000 0.928 322 E CB 0.476 30.167 29.700 -0.016 0.000 0.937 322 E HN 0.234 nan 8.360 nan 0.000 0.446 323 E N 2.039 121.862 120.200 -0.628 0.000 2.130 323 E HA -0.261 4.089 4.350 0.001 0.000 0.196 323 E C 1.645 177.726 176.600 -0.864 0.000 0.998 323 E CA 1.573 57.048 56.400 -1.542 0.000 0.806 323 E CB 0.060 29.011 29.700 -1.248 0.000 0.738 323 E HN 0.570 nan 8.360 nan 0.000 0.459 324 S N -0.173 115.288 115.700 -0.399 0.000 2.469 324 S HA -0.084 4.386 4.470 0.001 0.000 0.238 324 S C 1.505 176.054 174.600 -0.086 0.000 0.998 324 S CA 0.700 58.784 58.200 -0.192 0.000 0.957 324 S CB 0.005 63.137 63.200 -0.113 0.000 0.764 324 S HN 0.116 nan 8.310 nan 0.000 0.514 325 K N -0.147 120.221 120.400 -0.054 0.000 2.361 325 K HA 0.187 4.507 4.320 0.001 0.000 0.194 325 K C -0.117 176.648 176.600 0.274 0.000 1.032 325 K CA -0.258 56.093 56.287 0.108 0.000 1.048 325 K CB -0.195 32.389 32.500 0.141 0.000 0.842 325 K HN 0.446 nan 8.250 nan 0.000 0.526 326 W N 2.778 124.134 121.300 0.092 0.000 2.209 326 W HA 0.047 4.707 4.660 0.001 0.000 0.344 326 W C 0.714 177.293 176.519 0.100 0.000 1.285 326 W CA -0.591 56.823 57.345 0.115 0.000 1.267 326 W CB 0.068 29.610 29.460 0.138 0.000 1.167 326 W HN -0.285 nan 8.180 nan 0.000 0.574 327 K N 1.934 122.528 120.400 0.325 0.000 2.159 327 K HA 0.399 4.720 4.320 0.001 0.000 0.266 327 K C -0.770 175.947 176.600 0.194 0.000 0.975 327 K CA -1.102 55.310 56.287 0.208 0.000 0.865 327 K CB 1.775 34.362 32.500 0.145 0.000 1.087 327 K HN 0.114 nan 8.250 nan 0.000 0.446 328 V N 5.125 125.137 119.914 0.163 0.000 2.372 328 V HA 0.034 4.154 4.120 0.001 0.000 0.261 328 V C 1.430 177.588 176.094 0.106 0.000 1.055 328 V CA -0.257 62.130 62.300 0.143 0.000 0.930 328 V CB 0.705 32.606 31.823 0.131 0.000 1.031 328 V HN 0.628 nan 8.190 nan 0.000 0.479 329 L N 6.444 127.723 121.223 0.094 0.000 2.102 329 L HA 0.227 4.567 4.340 0.001 0.000 0.202 329 L C 0.739 177.650 176.870 0.069 0.000 1.076 329 L CA 1.822 56.704 54.840 0.070 0.000 0.761 329 L CB 0.492 42.579 42.059 0.047 0.000 0.921 329 L HN 0.435 nan 8.230 nan 0.000 0.444 330 V N 1.322 121.274 119.914 0.064 0.000 2.398 330 V HA 0.383 4.504 4.120 0.001 0.000 0.282 330 V C -2.291 173.857 176.094 0.090 0.000 1.014 330 V CA -1.518 60.822 62.300 0.066 0.000 0.838 330 V CB 1.050 32.872 31.823 -0.002 0.000 1.018 330 V HN 0.089 nan 8.190 nan 0.000 0.432 331 P HA 0.062 nan 4.420 nan 0.000 0.270 331 P C -0.019 177.357 177.300 0.127 0.000 1.227 331 P CA -0.097 63.063 63.100 0.100 0.000 0.788 331 P CB 0.659 32.405 31.700 0.077 0.000 0.926 332 E N 1.250 121.521 120.200 0.118 0.000 2.384 332 E HA -0.044 4.307 4.350 0.001 0.000 0.266 332 E C -0.179 176.509 176.600 0.146 0.000 1.012 332 E CA -0.188 56.300 56.400 0.147 0.000 0.901 332 E CB 0.289 30.053 29.700 0.106 0.000 0.967 332 E HN 0.454 nan 8.360 nan 0.000 0.435 333 H N 3.373 122.518 119.070 0.126 0.000 2.562 333 H HA -0.015 4.542 4.556 0.001 0.000 0.352 333 H C 0.717 176.084 175.328 0.065 0.000 1.125 333 H CA 0.327 56.417 56.048 0.071 0.000 1.379 333 H CB 1.492 31.281 29.762 0.045 0.000 1.464 333 H HN 0.827 nan 8.280 nan 0.000 0.563 334 E N 2.529 122.509 120.200 -0.367 0.000 2.204 334 E HA -0.186 4.165 4.350 0.001 0.000 0.195 334 E C 0.852 177.488 176.600 0.062 0.000 0.990 334 E CA 1.311 57.632 56.400 -0.132 0.000 0.821 334 E CB 0.403 29.982 29.700 -0.202 0.000 0.750 334 E HN 0.434 nan 8.360 nan 0.000 0.477 335 K N -0.256 120.321 120.400 0.295 0.000 2.631 335 K HA 0.093 4.413 4.320 0.001 0.000 0.200 335 K C -0.823 175.970 176.600 0.321 0.000 1.481 335 K CA 0.092 56.551 56.287 0.287 0.000 1.087 335 K CB 0.673 33.293 32.500 0.200 0.000 1.502 335 K HN -0.074 nan 8.250 nan 0.000 0.560 336 D N 1.343 121.966 120.400 0.372 0.000 2.390 336 D HA 0.074 4.714 4.640 0.001 0.000 0.249 336 D C -0.571 175.873 176.300 0.241 0.000 1.144 336 D CA 0.001 54.066 54.000 0.109 0.000 0.880 336 D CB 1.419 42.029 40.800 -0.318 0.000 1.182 336 D HN -0.155 nan 8.370 nan 0.000 0.451 337 V N 3.117 123.135 119.914 0.174 0.000 2.530 337 V HA 0.035 4.155 4.120 0.001 0.000 0.282 337 V C 0.308 176.445 176.094 0.071 0.000 1.048 337 V CA -0.747 61.646 62.300 0.155 0.000 0.997 337 V CB 1.282 33.128 31.823 0.038 0.000 0.987 337 V HN 0.334 nan 8.190 nan 0.000 0.477 338 L N 5.513 126.717 121.223 -0.032 0.000 2.363 338 L HA 0.293 4.634 4.340 0.001 0.000 0.286 338 L C 1.171 177.783 176.870 -0.429 0.000 1.106 338 L CA 0.690 55.239 54.840 -0.486 0.000 0.859 338 L CB 0.075 41.894 42.059 -0.401 0.000 1.223 338 L HN 0.714 nan 8.230 nan 0.000 0.446 339 E N 5.247 125.176 120.200 -0.451 0.000 2.046 339 E HA -0.024 4.327 4.350 0.001 0.000 0.190 339 E C -0.529 175.969 176.600 -0.171 0.000 0.982 339 E CA 1.372 57.584 56.400 -0.313 0.000 0.800 339 E CB 0.176 29.763 29.700 -0.189 0.000 0.756 339 E HN 0.748 nan 8.360 nan 0.000 0.449 340 W N -1.488 119.634 121.300 -0.297 0.000 3.059 340 W HA 0.562 5.222 4.660 0.001 0.000 0.329 340 W C -1.726 174.629 176.519 -0.273 0.000 1.246 340 W CA -0.805 56.392 57.345 -0.247 0.000 1.190 340 W CB 0.646 29.994 29.460 -0.187 0.000 1.423 340 W HN -0.393 nan 8.180 nan 0.000 0.571 341 V N 1.264 121.275 119.914 0.161 0.000 2.888 341 V HA 0.828 4.948 4.120 0.001 0.000 0.309 341 V C -0.355 175.816 176.094 0.128 0.000 1.114 341 V CA -0.682 61.622 62.300 0.006 0.000 0.940 341 V CB 1.174 32.931 31.823 -0.110 0.000 1.021 341 V HN 0.915 nan 8.190 nan 0.000 0.426 342 A N 2.138 125.006 122.820 0.079 0.000 2.454 342 A HA 0.810 5.130 4.320 0.001 0.000 0.302 342 A C -0.842 176.795 177.584 0.087 0.000 1.079 342 A CA -0.500 51.588 52.037 0.084 0.000 0.731 342 A CB 1.818 20.856 19.000 0.063 0.000 1.299 342 A HN 1.089 nan 8.150 nan 0.000 0.413 343 C N 1.861 121.216 119.300 0.091 0.000 2.329 343 C HA 0.822 5.282 4.460 0.001 0.000 0.329 343 C C -0.310 174.782 174.990 0.170 0.000 1.275 343 C CA -0.118 58.954 59.018 0.091 0.000 1.726 343 C CB -0.065 27.670 27.740 -0.010 0.000 2.291 343 C HN 1.093 nan 8.230 nan 0.000 0.514 344 V N 6.772 126.815 119.914 0.215 0.000 3.049 344 V HA 0.673 4.794 4.120 0.001 0.000 0.309 344 V C 0.341 176.553 176.094 0.196 0.000 1.148 344 V CA -0.579 61.863 62.300 0.236 0.000 0.990 344 V CB 1.771 33.790 31.823 0.327 0.000 1.039 344 V HN 1.042 nan 8.190 nan 0.000 0.430 345 R N 3.402 123.980 120.500 0.130 0.000 3.333 345 R HA -0.217 4.123 4.340 0.001 0.000 0.256 345 R C 0.959 177.204 176.300 -0.091 0.000 1.010 345 R CA 0.878 56.994 56.100 0.027 0.000 0.680 345 R CB -1.440 28.889 30.300 0.048 0.000 1.102 345 R HN 1.357 nan 8.270 nan 0.000 0.440 346 S N -1.929 113.752 115.700 -0.033 0.000 1.637 346 S HA -0.349 4.121 4.470 0.001 0.000 0.232 346 S C 0.603 175.157 174.600 -0.077 0.000 0.808 346 S CA 2.106 60.272 58.200 -0.057 0.000 1.437 346 S CB -0.972 62.178 63.200 -0.083 0.000 1.838 346 S HN 0.914 nan 8.310 nan 0.000 0.525 347 N N 0.107 118.709 118.700 -0.164 0.000 2.282 347 N HA 0.427 5.168 4.740 0.001 0.000 0.240 347 N C -0.802 174.699 175.510 -0.015 0.000 1.182 347 N CA -0.352 52.623 53.050 -0.125 0.000 0.874 347 N CB 0.361 38.756 38.487 -0.153 0.000 1.126 347 N HN 0.294 nan 8.380 nan 0.000 0.516 348 F N 1.185 121.157 119.950 0.036 0.000 2.507 348 F HA 0.578 5.106 4.527 0.001 0.000 0.327 348 F C -0.040 175.794 175.800 0.057 0.000 1.068 348 F CA -1.376 56.658 58.000 0.056 0.000 0.965 348 F CB 1.544 40.595 39.000 0.084 0.000 1.192 348 F HN -0.098 nan 8.300 nan 0.000 0.476 349 L N 2.723 124.105 121.223 0.265 0.000 2.385 349 L HA 0.598 4.938 4.340 0.001 0.000 0.273 349 L C -1.044 175.882 176.870 0.093 0.000 0.990 349 L CA -0.985 53.931 54.840 0.126 0.000 0.821 349 L CB 2.121 44.207 42.059 0.046 0.000 1.279 349 L HN 0.180 nan 8.230 nan 0.000 0.412 350 V N 4.816 124.759 119.914 0.048 0.000 2.350 350 V HA 0.390 4.511 4.120 0.001 0.000 0.276 350 V C 0.068 176.018 176.094 -0.240 0.000 1.028 350 V CA -0.371 61.917 62.300 -0.019 0.000 0.860 350 V CB 1.523 33.354 31.823 0.014 0.000 0.990 350 V HN 0.461 nan 8.190 nan 0.000 0.453 351 L N 4.716 125.759 121.223 -0.300 0.000 2.322 351 L HA 0.525 4.865 4.340 0.001 0.000 0.281 351 L C -0.343 176.114 176.870 -0.689 0.000 1.014 351 L CA -0.238 54.282 54.840 -0.533 0.000 0.815 351 L CB 1.710 43.489 42.059 -0.467 0.000 1.247 351 L HN 0.672 nan 8.230 nan 0.000 0.421 352 C N 4.052 122.682 119.300 -1.118 0.000 2.281 352 C HA 0.597 5.057 4.460 0.001 0.000 0.323 352 C C -0.288 174.241 174.990 -0.769 0.000 1.270 352 C CA -0.364 58.028 59.018 -1.042 0.000 1.559 352 C CB -0.137 26.465 27.740 -1.895 0.000 2.239 352 C HN 0.641 nan 8.230 nan 0.000 0.488 353 Y N 3.668 123.753 120.300 -0.359 0.000 2.496 353 Y HA 0.681 5.231 4.550 0.001 0.000 0.331 353 Y C -0.048 175.760 175.900 -0.153 0.000 1.140 353 Y CA -0.795 57.163 58.100 -0.236 0.000 1.166 353 Y CB 1.410 39.751 38.460 -0.198 0.000 1.249 353 Y HN 0.540 nan 8.280 nan 0.000 0.479 354 L N 2.600 123.866 121.223 0.072 0.000 2.316 354 L HA 0.355 4.695 4.340 0.001 0.000 0.280 354 L C -1.387 175.509 176.870 0.044 0.000 1.006 354 L CA -0.404 54.451 54.840 0.025 0.000 0.836 354 L CB 0.266 42.292 42.059 -0.055 0.000 1.221 354 L HN 0.657 nan 8.230 nan 0.000 0.418 355 H N 4.330 123.387 119.070 -0.021 0.000 2.595 355 H HA 0.346 4.902 4.556 0.001 0.000 0.313 355 H C -0.523 174.823 175.328 0.031 0.000 1.023 355 H CA -0.328 55.707 56.048 -0.021 0.000 1.218 355 H CB 0.494 30.233 29.762 -0.038 0.000 1.403 355 H HN 0.666 nan 8.280 nan 0.000 0.477 356 D N 4.643 124.852 120.400 -0.318 0.000 2.697 356 D HA -0.183 4.458 4.640 0.001 0.000 0.235 356 D C 0.311 176.582 176.300 -0.047 0.000 1.167 356 D CA 1.231 55.150 54.000 -0.135 0.000 0.656 356 D CB -1.135 39.634 40.800 -0.052 0.000 1.025 356 D HN 0.624 nan 8.370 nan 0.000 0.419 357 V N -2.769 117.075 119.914 -0.116 0.000 4.032 357 V HA -0.357 3.763 4.120 0.001 0.000 0.231 357 V C 0.610 176.837 176.094 0.222 0.000 0.429 357 V CA 1.877 64.195 62.300 0.030 0.000 0.934 357 V CB -1.949 29.895 31.823 0.035 0.000 1.004 357 V HN 0.505 nan 8.190 nan 0.000 1.283 358 K N 0.150 120.653 120.400 0.172 0.000 2.422 358 K HA 0.612 4.933 4.320 0.001 0.000 0.251 358 K C -0.214 176.478 176.600 0.153 0.000 0.933 358 K CA -0.704 55.701 56.287 0.197 0.000 0.798 358 K CB 2.063 34.717 32.500 0.257 0.000 1.238 358 K HN 0.360 nan 8.250 nan 0.000 0.428 359 N N 0.429 119.216 118.700 0.145 0.000 2.515 359 N HA 0.294 5.035 4.740 0.001 0.000 0.279 359 N C -0.820 174.758 175.510 0.114 0.000 1.164 359 N CA -0.152 52.969 53.050 0.118 0.000 0.982 359 N CB 1.070 39.633 38.487 0.128 0.000 1.170 359 N HN 0.573 nan 8.380 nan 0.000 0.474 360 T N -0.945 113.642 114.554 0.055 0.000 2.906 360 T HA 0.570 4.920 4.350 0.001 0.000 0.295 360 T C -1.152 173.528 174.700 -0.033 0.000 1.075 360 T CA -0.877 61.233 62.100 0.017 0.000 1.005 360 T CB 1.372 70.231 68.868 -0.014 0.000 1.136 360 T HN 0.169 nan 8.240 nan 0.000 0.498 361 L N 2.398 123.593 121.223 -0.046 0.000 2.464 361 L HA 0.586 4.926 4.340 0.001 0.000 0.266 361 L C -1.228 175.636 176.870 -0.010 0.000 0.965 361 L CA -0.435 54.356 54.840 -0.082 0.000 0.833 361 L CB 1.797 43.765 42.059 -0.150 0.000 1.296 361 L HN 1.185 nan 8.230 nan 0.000 0.405 362 Q N 3.374 123.163 119.800 -0.018 0.000 2.534 362 Q HA 0.582 4.923 4.340 0.001 0.000 0.290 362 Q C -2.020 173.958 176.000 -0.037 0.000 0.991 362 Q CA -1.008 54.721 55.803 -0.122 0.000 0.783 362 Q CB 3.176 31.878 28.738 -0.060 0.000 1.470 362 Q HN 0.469 nan 8.270 nan 0.000 0.406 363 L N 1.348 122.423 121.223 -0.247 0.000 2.322 363 L HA 0.540 4.881 4.340 0.001 0.000 0.281 363 L C -1.189 175.593 176.870 -0.147 0.000 1.014 363 L CA -0.098 54.645 54.840 -0.161 0.000 0.815 363 L CB 1.403 43.209 42.059 -0.422 0.000 1.247 363 L HN 0.702 nan 8.230 nan 0.000 0.421 364 H N 1.574 120.572 119.070 -0.121 0.000 2.797 364 H HA 0.272 4.828 4.556 0.001 0.000 0.372 364 H C -1.374 173.989 175.328 0.059 0.000 1.168 364 H CA -0.933 55.088 56.048 -0.046 0.000 1.163 364 H CB 2.257 32.009 29.762 -0.017 0.000 1.778 364 H HN 0.567 nan 8.280 nan 0.000 0.551 365 D N 1.218 121.734 120.400 0.193 0.000 2.308 365 D HA -0.016 4.625 4.640 0.001 0.000 0.251 365 D C 0.907 177.300 176.300 0.157 0.000 1.127 365 D CA -0.425 53.701 54.000 0.210 0.000 0.876 365 D CB 1.104 41.984 40.800 0.133 0.000 1.176 365 D HN 0.285 nan 8.370 nan 0.000 0.446 366 L N 4.841 126.141 121.223 0.129 0.000 2.056 366 L HA 0.037 4.378 4.340 0.001 0.000 0.207 366 L C 1.953 178.842 176.870 0.031 0.000 1.078 366 L CA 2.232 57.107 54.840 0.058 0.000 0.749 366 L CB -0.831 41.239 42.059 0.017 0.000 0.901 366 L HN 0.596 nan 8.230 nan 0.000 0.433 367 A N -1.349 121.489 122.820 0.030 0.000 1.930 367 A HA -0.169 4.151 4.320 0.001 0.000 0.217 367 A C 2.235 179.838 177.584 0.033 0.000 1.175 367 A CA 2.272 54.321 52.037 0.020 0.000 0.627 367 A CB -0.981 18.027 19.000 0.014 0.000 0.815 367 A HN 0.611 nan 8.150 nan 0.000 0.443 368 T N -6.305 108.278 114.554 0.049 0.000 2.971 368 T HA 0.436 4.786 4.350 0.001 0.000 0.252 368 T C 1.438 176.181 174.700 0.072 0.000 1.022 368 T CA 1.070 63.202 62.100 0.053 0.000 0.980 368 T CB 0.438 69.333 68.868 0.046 0.000 1.044 368 T HN 1.709 nan 8.240 nan 0.000 0.501 369 G N 1.744 110.601 108.800 0.096 0.000 2.179 369 G HA2 -0.066 3.894 3.960 0.001 0.000 0.260 369 G HA3 -0.066 3.894 3.960 0.001 0.000 0.260 369 G C 0.376 175.415 174.900 0.233 0.000 0.977 369 G CA -0.018 45.168 45.100 0.143 0.000 0.641 369 G HN 1.253 nan 8.290 nan 0.000 0.533 370 A N 0.033 122.927 122.820 0.123 0.000 2.462 370 A HA 0.609 4.929 4.320 0.001 0.000 0.243 370 A C 0.629 178.132 177.584 -0.135 0.000 1.076 370 A CA 0.367 52.426 52.037 0.036 0.000 0.773 370 A CB 0.506 19.505 19.000 -0.002 0.000 1.010 370 A HN 1.685 nan 8.150 nan 0.000 0.493 371 L N 2.706 123.713 121.223 -0.360 0.000 2.462 371 L HA 0.259 4.600 4.340 0.001 0.000 0.272 371 L C 0.468 177.089 176.870 -0.415 0.000 1.166 371 L CA 0.609 54.989 54.840 -0.766 0.000 0.880 371 L CB 0.114 41.841 42.059 -0.553 0.000 1.142 371 L HN 0.725 nan 8.230 nan 0.000 0.473 372 L N 2.871 123.837 121.223 -0.428 0.000 2.547 372 L HA 0.379 4.719 4.340 0.001 0.000 0.218 372 L C 0.189 176.851 176.870 -0.347 0.000 1.048 372 L CA -0.074 54.585 54.840 -0.302 0.000 0.859 372 L CB 0.050 41.948 42.059 -0.269 0.000 1.128 372 L HN 0.596 nan 8.230 nan 0.000 0.483 373 K N 0.372 120.493 120.400 -0.466 0.000 2.542 373 K HA 0.511 4.831 4.320 0.001 0.000 0.259 373 K C -1.647 174.551 176.600 -0.670 0.000 0.932 373 K CA -0.236 55.722 56.287 -0.547 0.000 0.820 373 K CB 1.931 34.028 32.500 -0.671 0.000 1.345 373 K HN -0.078 nan 8.250 nan 0.000 0.432 374 I N 4.512 124.760 120.570 -0.538 0.000 2.354 374 I HA 0.372 4.543 4.170 0.001 0.000 0.292 374 I C -0.712 175.130 176.117 -0.458 0.000 0.989 374 I CA -0.825 60.208 61.300 -0.445 0.000 1.188 374 I CB 0.750 38.595 38.000 -0.259 0.000 1.342 374 I HN 0.484 nan 8.210 nan 0.000 0.457 375 F N 7.752 127.595 119.950 -0.179 0.000 2.350 375 F HA 0.326 4.853 4.527 0.001 0.000 0.365 375 F C -1.724 173.961 175.800 -0.192 0.000 1.122 375 F CA -2.831 55.053 58.000 -0.193 0.000 1.139 375 F CB 0.114 38.940 39.000 -0.290 0.000 1.220 375 F HN 0.243 nan 8.300 nan 0.000 0.499 376 P HA 0.196 nan 4.420 nan 0.000 0.268 376 P C -0.817 176.406 177.300 -0.129 0.000 1.204 376 P CA 0.180 63.239 63.100 -0.070 0.000 0.768 376 P CB 1.343 33.005 31.700 -0.062 0.000 0.842 377 L N 0.948 122.099 121.223 -0.121 0.000 2.393 377 L HA 0.436 4.777 4.340 0.001 0.000 0.260 377 L C 0.528 177.289 176.870 -0.181 0.000 1.002 377 L CA -1.124 53.584 54.840 -0.220 0.000 0.818 377 L CB 2.142 44.144 42.059 -0.096 0.000 1.369 377 L HN 0.302 nan 8.230 nan 0.000 0.412 378 E N 0.597 120.579 120.200 -0.363 0.000 2.622 378 E HA 0.261 4.611 4.350 0.001 0.000 0.255 378 E C -0.897 175.820 176.600 0.196 0.000 1.313 378 E CA -0.409 55.944 56.400 -0.079 0.000 1.011 378 E CB 1.144 30.808 29.700 -0.059 0.000 1.173 378 E HN 0.217 nan 8.360 nan 0.000 0.601 379 V N 2.061 122.139 119.914 0.274 0.000 2.450 379 V HA 0.505 4.625 4.120 0.001 0.000 0.281 379 V C 0.860 177.166 176.094 0.353 0.000 1.019 379 V CA 1.380 63.857 62.300 0.295 0.000 1.062 379 V CB -0.436 31.524 31.823 0.229 0.000 0.979 379 V HN 0.756 nan 8.190 nan 0.000 0.477 380 G N 4.327 113.293 108.800 0.276 0.000 2.452 380 G HA2 0.407 4.368 3.960 0.001 0.000 0.224 380 G HA3 0.407 4.368 3.960 0.001 0.000 0.224 380 G C -1.003 173.842 174.900 -0.092 0.000 1.208 380 G CA -0.196 44.848 45.100 -0.094 0.000 0.946 380 G HN 0.588 nan 8.290 nan 0.000 0.481 381 S N -1.264 114.229 115.700 -0.345 0.000 2.542 381 S HA 0.680 5.150 4.470 0.001 0.000 0.293 381 S C -0.675 173.922 174.600 -0.006 0.000 1.089 381 S CA -0.494 57.637 58.200 -0.116 0.000 0.961 381 S CB 2.056 65.167 63.200 -0.148 0.000 1.062 381 S HN 0.818 nan 8.310 nan 0.000 0.483 382 V N 3.134 123.161 119.914 0.187 0.000 2.364 382 V HA 0.229 4.349 4.120 0.001 0.000 0.272 382 V C 0.808 177.057 176.094 0.259 0.000 1.036 382 V CA -0.256 62.240 62.300 0.327 0.000 0.880 382 V CB 1.038 33.122 31.823 0.436 0.000 0.991 382 V HN 0.855 nan 8.190 nan 0.000 0.460 383 V N 1.989 122.028 119.914 0.208 0.000 3.528 383 V HA 0.717 4.837 4.120 0.001 0.000 0.294 383 V C 0.618 176.799 176.094 0.145 0.000 1.404 383 V CA 0.527 62.908 62.300 0.136 0.000 1.065 383 V CB 0.221 32.090 31.823 0.077 0.000 0.904 383 V HN 0.803 nan 8.190 nan 0.000 0.435 384 G N -0.559 108.375 108.800 0.223 0.000 2.720 384 G HA2 0.606 4.566 3.960 0.001 0.000 0.295 384 G HA3 0.606 4.566 3.960 0.001 0.000 0.295 384 G C -2.257 172.839 174.900 0.325 0.000 1.437 384 G CA -0.710 44.517 45.100 0.213 0.000 0.886 384 G HN 0.483 nan 8.290 nan 0.000 0.509 385 Y N 0.920 121.280 120.300 0.099 0.000 2.521 385 Y HA 0.665 5.215 4.550 0.001 0.000 0.328 385 Y C -0.783 175.200 175.900 0.139 0.000 1.151 385 Y CA -0.645 57.546 58.100 0.151 0.000 1.054 385 Y CB 1.949 40.382 38.460 -0.045 0.000 1.338 385 Y HN 1.150 nan 8.280 nan 0.000 0.453 386 S N 3.220 118.429 115.700 -0.817 0.000 2.546 386 S HA 0.935 5.405 4.470 0.001 0.000 0.274 386 S C -0.586 173.575 174.600 -0.732 0.000 1.121 386 S CA -0.392 57.483 58.200 -0.541 0.000 0.887 386 S CB 1.677 64.912 63.200 0.057 0.000 1.094 386 S HN 2.012 nan 8.310 nan 0.000 0.474 387 G N 2.484 111.119 108.800 -0.276 0.000 2.145 387 G HA2 0.290 4.251 3.960 0.001 0.000 0.174 387 G HA3 0.290 4.251 3.960 0.001 0.000 0.174 387 G C -0.969 174.059 174.900 0.213 0.000 1.726 387 G CA -0.405 44.705 45.100 0.017 0.000 1.080 387 G HN 1.033 nan 8.290 nan 0.000 0.606 388 Q N 1.591 121.493 119.800 0.170 0.000 2.166 388 Q HA 0.557 4.897 4.340 0.001 0.000 0.226 388 Q C 1.460 177.552 176.000 0.152 0.000 0.989 388 Q CA -0.673 55.234 55.803 0.175 0.000 0.966 388 Q CB 1.665 30.491 28.738 0.146 0.000 1.173 388 Q HN 0.294 nan 8.270 nan 0.000 0.509 389 K N 0.337 120.816 120.400 0.131 0.000 2.074 389 K HA -0.222 4.098 4.320 0.001 0.000 0.209 389 K C 1.849 178.497 176.600 0.080 0.000 1.048 389 K CA 2.291 58.636 56.287 0.098 0.000 0.926 389 K CB -0.045 32.504 32.500 0.081 0.000 0.713 389 K HN 0.678 nan 8.250 nan 0.000 0.444 390 K N -0.239 120.209 120.400 0.080 0.000 2.418 390 K HA 0.011 4.331 4.320 0.001 0.000 0.195 390 K C -0.244 176.391 176.600 0.057 0.000 1.035 390 K CA 0.335 56.656 56.287 0.058 0.000 1.003 390 K CB 0.157 32.688 32.500 0.051 0.000 0.793 390 K HN -0.008 nan 8.250 nan 0.000 0.494 391 D N 2.347 122.794 120.400 0.079 0.000 2.362 391 D HA -0.014 4.626 4.640 0.001 0.000 0.242 391 D C 0.563 176.919 176.300 0.094 0.000 1.132 391 D CA 0.422 54.474 54.000 0.087 0.000 0.907 391 D CB 1.725 42.593 40.800 0.113 0.000 1.195 391 D HN 0.296 nan 8.370 nan 0.000 0.429 392 T N -2.290 112.320 114.554 0.093 0.000 3.228 392 T HA 0.241 4.592 4.350 0.001 0.000 0.278 392 T C 0.178 174.928 174.700 0.084 0.000 1.014 392 T CA -0.527 61.627 62.100 0.090 0.000 0.904 392 T CB -0.048 68.861 68.868 0.068 0.000 1.110 392 T HN 0.579 nan 8.240 nan 0.000 0.541 393 E N 0.920 121.167 120.200 0.077 0.000 2.423 393 E HA 0.618 4.969 4.350 0.001 0.000 0.280 393 E C -1.310 175.270 176.600 -0.033 0.000 1.030 393 E CA -1.426 54.951 56.400 -0.038 0.000 0.812 393 E CB 1.647 31.320 29.700 -0.044 0.000 1.313 393 E HN 0.408 nan 8.360 nan 0.000 0.456 394 I N -1.755 118.703 120.570 -0.188 0.000 2.785 394 I HA 0.717 4.887 4.170 0.001 0.000 0.302 394 I C -1.446 174.511 176.117 -0.267 0.000 1.069 394 I CA -1.200 60.039 61.300 -0.102 0.000 1.045 394 I CB 1.607 39.659 38.000 0.087 0.000 1.236 394 I HN 0.432 nan 8.210 nan 0.000 0.429 395 F N 3.703 123.624 119.950 -0.048 0.000 2.551 395 F HA 0.697 5.225 4.527 0.001 0.000 0.316 395 F C -0.791 175.086 175.800 0.127 0.000 1.089 395 F CA -0.526 57.454 58.000 -0.034 0.000 0.915 395 F CB 2.160 41.125 39.000 -0.057 0.000 1.186 395 F HN 0.532 nan 8.300 nan 0.000 0.456 396 Y N -0.133 120.354 120.300 0.311 0.000 2.513 396 Y HA 0.602 5.152 4.550 0.001 0.000 0.340 396 Y C -1.340 174.799 175.900 0.399 0.000 1.055 396 Y CA -1.360 56.955 58.100 0.358 0.000 1.020 396 Y CB 1.281 39.968 38.460 0.378 0.000 1.301 396 Y HN 0.618 nan 8.280 nan 0.000 0.453 397 Q N 3.195 123.293 119.800 0.497 0.000 2.316 397 Q HA 0.543 4.884 4.340 0.001 0.000 0.264 397 Q C -2.112 174.168 176.000 0.466 0.000 0.987 397 Q CA -0.871 55.169 55.803 0.396 0.000 0.852 397 Q CB 1.750 30.661 28.738 0.289 0.000 1.287 397 Q HN 0.776 nan 8.270 nan 0.000 0.448 398 F N 2.141 122.270 119.950 0.298 0.000 2.480 398 F HA 0.692 5.220 4.527 0.001 0.000 0.329 398 F C -0.746 175.142 175.800 0.147 0.000 1.091 398 F CA -0.176 57.984 58.000 0.266 0.000 0.972 398 F CB 2.243 41.470 39.000 0.378 0.000 1.150 398 F HN 0.497 nan 8.300 nan 0.000 0.467 399 T N 2.763 116.824 114.554 -0.822 0.000 2.843 399 T HA 0.737 5.087 4.350 0.001 0.000 0.302 399 T C -1.264 172.901 174.700 -0.891 0.000 1.232 399 T CA -0.031 61.715 62.100 -0.591 0.000 1.009 399 T CB 1.267 70.004 68.868 -0.218 0.000 1.254 399 T HN 1.050 nan 8.240 nan 0.000 0.504 400 S N 0.710 116.141 115.700 -0.449 0.000 2.752 400 S HA 0.569 5.039 4.470 0.001 0.000 0.284 400 S C 0.081 174.583 174.600 -0.164 0.000 1.189 400 S CA -0.699 57.271 58.200 -0.384 0.000 0.835 400 S CB 0.319 63.430 63.200 -0.148 0.000 1.192 400 S HN 0.444 nan 8.310 nan 0.000 0.506 401 F N 0.498 120.422 119.950 -0.043 0.000 2.186 401 F HA 0.245 4.773 4.527 0.001 0.000 0.299 401 F C 1.820 177.693 175.800 0.122 0.000 1.090 401 F CA 1.171 59.167 58.000 -0.007 0.000 1.307 401 F CB -0.418 38.532 39.000 -0.084 0.000 1.019 401 F HN 0.366 nan 8.300 nan 0.000 0.489 402 L N -1.371 120.045 121.223 0.322 0.000 2.638 402 L HA 0.196 4.536 4.340 0.001 0.000 0.232 402 L C 0.605 177.614 176.870 0.232 0.000 1.099 402 L CA -0.026 54.991 54.840 0.295 0.000 0.883 402 L CB -0.157 42.028 42.059 0.211 0.000 1.136 402 L HN -0.016 nan 8.230 nan 0.000 0.492 403 S N -1.139 114.617 115.700 0.094 0.000 2.449 403 S HA 0.432 4.903 4.470 0.001 0.000 0.310 403 S C -2.172 172.090 174.600 -0.564 0.000 1.096 403 S CA -1.310 56.788 58.200 -0.171 0.000 1.095 403 S CB 2.023 65.240 63.200 0.029 0.000 1.007 403 S HN -0.212 nan 8.310 nan 0.000 0.474 404 P HA 0.197 nan 4.420 nan 0.000 0.218 404 P C 0.720 177.842 177.300 -0.297 0.000 1.149 404 P CA 1.618 64.103 63.100 -1.025 0.000 0.817 404 P CB -0.205 30.974 31.700 -0.869 0.000 0.785 405 G N -1.585 107.113 108.800 -0.169 0.000 2.326 405 G HA2 0.197 4.157 3.960 0.001 0.000 0.413 405 G HA3 0.197 4.157 3.960 0.001 0.000 0.413 405 G C -1.799 173.121 174.900 0.033 0.000 1.444 405 G CA -0.845 44.260 45.100 0.008 0.000 1.002 405 G HN 0.004 nan 8.290 nan 0.000 0.649 406 I N 0.377 121.000 120.570 0.089 0.000 2.619 406 I HA 0.504 4.675 4.170 0.001 0.000 0.292 406 I C -0.228 175.810 176.117 -0.131 0.000 1.100 406 I CA -0.906 60.322 61.300 -0.119 0.000 1.043 406 I CB 2.309 40.110 38.000 -0.332 0.000 1.239 406 I HN 0.405 nan 8.210 nan 0.000 0.420 407 I N 5.697 126.160 120.570 -0.179 0.000 2.339 407 I HA 0.348 4.519 4.170 0.001 0.000 0.290 407 I C -0.981 175.022 176.117 -0.189 0.000 0.994 407 I CA -0.468 60.806 61.300 -0.043 0.000 1.191 407 I CB 1.007 39.078 38.000 0.118 0.000 1.343 407 I HN 0.384 nan 8.210 nan 0.000 0.458 408 Y N 4.610 124.777 120.300 -0.222 0.000 2.496 408 Y HA 0.475 5.026 4.550 0.001 0.000 0.331 408 Y C 0.158 175.814 175.900 -0.405 0.000 1.140 408 Y CA -0.507 57.343 58.100 -0.417 0.000 1.166 408 Y CB 1.303 39.175 38.460 -0.980 0.000 1.249 408 Y HN 0.462 nan 8.280 nan 0.000 0.479 409 H N 1.078 119.978 119.070 -0.284 0.000 2.717 409 H HA 0.557 5.113 4.556 0.001 0.000 0.366 409 H C -1.763 173.342 175.328 -0.372 0.000 1.132 409 H CA -0.749 54.938 56.048 -0.601 0.000 1.180 409 H CB 2.153 31.466 29.762 -0.748 0.000 1.678 409 H HN 0.812 nan 8.280 nan 0.000 0.537 410 C N 5.255 123.947 119.300 -1.013 0.000 2.505 410 C HA 0.174 4.634 4.460 0.001 0.000 0.342 410 C C -0.767 173.818 174.990 -0.674 0.000 1.121 410 C CA -0.706 57.935 59.018 -0.628 0.000 1.306 410 C CB 0.403 27.969 27.740 -0.290 0.000 1.897 410 C HN 0.888 nan 8.230 nan 0.000 0.446 411 D N 4.316 124.422 120.400 -0.490 0.000 2.336 411 D HA 0.198 4.838 4.640 0.001 0.000 0.249 411 D C 0.847 177.112 176.300 -0.060 0.000 1.213 411 D CA -0.023 53.839 54.000 -0.230 0.000 0.870 411 D CB 0.737 41.489 40.800 -0.080 0.000 1.076 411 D HN 0.698 nan 8.370 nan 0.000 0.483 412 L N 3.059 124.292 121.223 0.016 0.000 2.599 412 L HA 0.008 4.348 4.340 0.001 0.000 0.230 412 L C 2.061 179.040 176.870 0.181 0.000 1.141 412 L CA 0.533 55.470 54.840 0.162 0.000 0.877 412 L CB -0.333 41.904 42.059 0.296 0.000 1.009 412 L HN 0.465 nan 8.230 nan 0.000 0.447 413 T N -4.496 110.115 114.554 0.095 0.000 3.100 413 T HA 0.071 4.422 4.350 0.001 0.000 0.253 413 T C 0.926 175.667 174.700 0.068 0.000 1.118 413 T CA -0.177 61.968 62.100 0.075 0.000 1.058 413 T CB 0.075 68.973 68.868 0.049 0.000 0.953 413 T HN -0.057 nan 8.240 nan 0.000 0.515 414 K N 2.039 122.479 120.400 0.066 0.000 2.218 414 K HA 0.268 4.589 4.320 0.001 0.000 0.276 414 K C 1.116 177.754 176.600 0.062 0.000 1.022 414 K CA -0.427 55.890 56.287 0.050 0.000 0.946 414 K CB 1.266 33.785 32.500 0.032 0.000 1.000 414 K HN 0.065 nan 8.250 nan 0.000 0.468 415 E N 1.776 122.004 120.200 0.046 0.000 2.033 415 E HA -0.177 4.174 4.350 0.001 0.000 0.199 415 E C -0.283 176.337 176.600 0.033 0.000 1.011 415 E CA 1.508 57.934 56.400 0.044 0.000 0.815 415 E CB 0.358 30.073 29.700 0.026 0.000 0.755 415 E HN 0.404 nan 8.360 nan 0.000 0.451 416 E N 1.171 121.382 120.200 0.017 0.000 1.986 416 E HA 0.136 4.486 4.350 0.001 0.000 0.264 416 E C -0.269 176.337 176.600 0.009 0.000 1.023 416 E CA -0.204 56.196 56.400 -0.000 0.000 0.834 416 E CB 0.190 29.887 29.700 -0.006 0.000 1.111 416 E HN 0.207 nan 8.360 nan 0.000 0.417 417 L N 2.647 123.874 121.223 0.007 0.000 2.597 417 L HA -0.009 4.331 4.340 0.001 0.000 0.261 417 L C 0.658 177.587 176.870 0.098 0.000 1.389 417 L CA 0.681 55.548 54.840 0.045 0.000 1.203 417 L CB -0.637 41.431 42.059 0.016 0.000 1.401 417 L HN 0.155 nan 8.230 nan 0.000 0.443 418 E N 3.935 124.178 120.200 0.071 0.000 2.133 418 E HA 0.334 4.685 4.350 0.001 0.000 0.274 418 E C -2.012 174.636 176.600 0.080 0.000 0.930 418 E CA -1.935 54.519 56.400 0.090 0.000 0.770 418 E CB 1.649 31.374 29.700 0.042 0.000 1.104 418 E HN 0.232 nan 8.360 nan 0.000 0.403 419 P HA 0.139 nan 4.420 nan 0.000 0.272 419 P C -0.784 176.562 177.300 0.076 0.000 1.240 419 P CA -0.153 62.971 63.100 0.041 0.000 0.791 419 P CB 1.091 32.809 31.700 0.030 0.000 0.978 420 R N -0.261 120.300 120.500 0.102 0.000 2.698 420 R HA 0.430 4.771 4.340 0.001 0.000 0.275 420 R C -0.958 175.441 176.300 0.166 0.000 1.001 420 R CA -1.199 54.979 56.100 0.130 0.000 0.896 420 R CB 2.007 32.360 30.300 0.087 0.000 1.218 420 R HN 0.172 nan 8.270 nan 0.000 0.462 421 V N 3.520 123.483 119.914 0.080 0.000 2.485 421 V HA -0.027 4.093 4.120 0.001 0.000 0.287 421 V C 0.469 176.534 176.094 -0.048 0.000 1.022 421 V CA 0.768 63.006 62.300 -0.104 0.000 1.067 421 V CB 0.298 32.025 31.823 -0.160 0.000 0.967 421 V HN 0.679 nan 8.190 nan 0.000 0.479 422 F N 5.006 124.826 119.950 -0.217 0.000 2.383 422 F HA 0.378 4.905 4.527 0.001 0.000 0.287 422 F C 1.188 176.821 175.800 -0.278 0.000 1.069 422 F CA 0.319 58.197 58.000 -0.204 0.000 1.402 422 F CB 0.394 39.332 39.000 -0.103 0.000 1.116 422 F HN 0.394 nan 8.300 nan 0.000 0.549 423 R N 0.653 121.020 120.500 -0.223 0.000 2.548 423 R HA 0.341 4.681 4.340 0.001 0.000 0.280 423 R C -1.768 174.392 176.300 -0.232 0.000 1.061 423 R CA -0.501 55.391 56.100 -0.347 0.000 0.915 423 R CB 1.572 31.620 30.300 -0.420 0.000 1.210 423 R HN 0.161 nan 8.270 nan 0.000 0.442 424 E N 3.354 123.427 120.200 -0.211 0.000 2.290 424 E HA 0.450 4.801 4.350 0.001 0.000 0.274 424 E C -1.658 174.889 176.600 -0.088 0.000 0.889 424 E CA -0.906 55.410 56.400 -0.140 0.000 0.760 424 E CB 2.094 31.701 29.700 -0.154 0.000 1.206 424 E HN 0.379 nan 8.360 nan 0.000 0.419 425 V N 0.744 120.633 119.914 -0.041 0.000 2.656 425 V HA 0.787 4.907 4.120 0.001 0.000 0.307 425 V C -0.374 175.666 176.094 -0.089 0.000 1.051 425 V CA -0.554 61.742 62.300 -0.007 0.000 0.893 425 V CB 1.329 33.228 31.823 0.126 0.000 0.999 425 V HN 0.720 nan 8.190 nan 0.000 0.426 426 T N 0.570 115.071 114.554 -0.090 0.000 2.856 426 T HA 0.717 5.068 4.350 0.001 0.000 0.283 426 T C -0.430 174.184 174.700 -0.144 0.000 1.008 426 T CA -0.745 61.273 62.100 -0.137 0.000 0.997 426 T CB 1.605 70.425 68.868 -0.081 0.000 0.992 426 T HN 0.788 nan 8.240 nan 0.000 0.454 427 V N 4.293 124.080 119.914 -0.212 0.000 2.372 427 V HA 0.235 4.355 4.120 0.001 0.000 0.261 427 V C 0.731 176.803 176.094 -0.036 0.000 1.055 427 V CA -0.710 61.492 62.300 -0.163 0.000 0.930 427 V CB 0.060 31.745 31.823 -0.229 0.000 1.031 427 V HN 0.796 nan 8.190 nan 0.000 0.479 428 K N 3.796 124.195 120.400 -0.001 0.000 2.416 428 K HA 0.422 4.743 4.320 0.001 0.000 0.283 428 K C 1.172 177.798 176.600 0.044 0.000 1.037 428 K CA 0.747 57.047 56.287 0.022 0.000 0.995 428 K CB 0.892 33.408 32.500 0.027 0.000 0.938 428 K HN 0.999 nan 8.250 nan 0.000 0.475 429 G N 2.550 111.380 108.800 0.051 0.000 2.617 429 G HA2 -0.150 3.810 3.960 0.001 0.000 0.197 429 G HA3 -0.150 3.810 3.960 0.001 0.000 0.197 429 G C -0.176 174.771 174.900 0.079 0.000 1.017 429 G CA -0.664 44.478 45.100 0.071 0.000 0.713 429 G HN 0.457 nan 8.290 nan 0.000 0.481 430 I N 2.492 123.110 120.570 0.079 0.000 2.420 430 I HA 0.383 4.554 4.170 0.001 0.000 0.282 430 I C -1.105 175.094 176.117 0.136 0.000 1.019 430 I CA -1.196 60.171 61.300 0.112 0.000 1.130 430 I CB 1.116 39.168 38.000 0.085 0.000 1.262 430 I HN 0.139 nan 8.210 nan 0.000 0.454 431 D N 5.134 125.633 120.400 0.164 0.000 2.352 431 D HA 0.380 5.020 4.640 0.001 0.000 0.245 431 D C 1.154 177.576 176.300 0.204 0.000 1.224 431 D CA -0.066 54.005 54.000 0.119 0.000 0.879 431 D CB 1.608 42.431 40.800 0.038 0.000 1.057 431 D HN 0.622 nan 8.370 nan 0.000 0.491 432 A N 3.125 126.050 122.820 0.175 0.000 1.978 432 A HA -0.193 4.127 4.320 0.001 0.000 0.220 432 A C 2.117 179.795 177.584 0.157 0.000 1.170 432 A CA 1.930 54.098 52.037 0.217 0.000 0.636 432 A CB -0.655 18.427 19.000 0.137 0.000 0.810 432 A HN 0.632 nan 8.150 nan 0.000 0.448 433 S N -0.469 115.264 115.700 0.056 0.000 2.469 433 S HA -0.140 4.330 4.470 0.001 0.000 0.238 433 S C 1.176 175.717 174.600 -0.098 0.000 0.998 433 S CA 1.275 59.472 58.200 -0.006 0.000 0.957 433 S CB -0.394 62.796 63.200 -0.016 0.000 0.764 433 S HN 0.588 nan 8.310 nan 0.000 0.514 434 D N -0.090 120.168 120.400 -0.236 0.000 2.355 434 D HA 0.144 4.784 4.640 0.001 0.000 0.218 434 D C -0.499 175.356 176.300 -0.741 0.000 1.004 434 D CA 0.520 54.206 54.000 -0.522 0.000 0.880 434 D CB 0.249 40.611 40.800 -0.729 0.000 0.911 434 D HN 0.478 nan 8.370 nan 0.000 0.528 435 Y N 0.206 120.483 120.300 -0.039 0.000 2.630 435 Y HA 0.343 4.893 4.550 0.001 0.000 0.337 435 Y C 0.347 176.194 175.900 -0.089 0.000 1.051 435 Y CA -1.120 56.937 58.100 -0.072 0.000 1.121 435 Y CB 1.224 39.649 38.460 -0.058 0.000 1.299 435 Y HN -0.267 nan 8.280 nan 0.000 0.498 436 Q N -0.632 119.153 119.800 -0.024 0.000 2.416 436 Q HA 0.747 5.088 4.340 0.001 0.000 0.281 436 Q C -1.812 174.115 176.000 -0.123 0.000 1.067 436 Q CA -1.016 54.743 55.803 -0.074 0.000 0.809 436 Q CB 2.414 31.082 28.738 -0.117 0.000 1.418 436 Q HN 0.607 nan 8.270 nan 0.000 0.411 437 T N 1.584 116.136 114.554 -0.004 0.000 2.807 437 T HA 0.615 4.965 4.350 0.001 0.000 0.279 437 T C -0.662 174.109 174.700 0.118 0.000 0.993 437 T CA -0.518 61.604 62.100 0.037 0.000 0.970 437 T CB 1.403 70.349 68.868 0.130 0.000 0.950 437 T HN 0.619 nan 8.240 nan 0.000 0.441 438 V N 1.573 121.581 119.914 0.156 0.000 2.914 438 V HA 0.751 4.871 4.120 0.001 0.000 0.314 438 V C -0.936 175.288 176.094 0.216 0.000 1.084 438 V CA -1.109 61.308 62.300 0.196 0.000 0.963 438 V CB 2.027 33.976 31.823 0.210 0.000 1.025 438 V HN 0.862 nan 8.190 nan 0.000 0.432 439 Q N 2.500 122.391 119.800 0.152 0.000 2.333 439 Q HA 0.741 5.081 4.340 0.001 0.000 0.268 439 Q C -1.192 174.702 176.000 -0.177 0.000 1.007 439 Q CA -0.736 55.025 55.803 -0.071 0.000 0.810 439 Q CB 1.898 30.567 28.738 -0.116 0.000 1.264 439 Q HN 0.967 nan 8.270 nan 0.000 0.452 440 I N -0.451 119.917 120.570 -0.336 0.000 3.067 440 I HA 0.694 4.864 4.170 0.001 0.000 0.312 440 I C -1.458 174.313 176.117 -0.577 0.000 1.073 440 I CA -0.854 60.295 61.300 -0.252 0.000 1.016 440 I CB 1.552 39.501 38.000 -0.085 0.000 1.227 440 I HN 0.415 nan 8.210 nan 0.000 0.456 441 F N 2.848 122.759 119.950 -0.065 0.000 2.499 441 F HA 0.591 5.118 4.527 0.001 0.000 0.333 441 F C -0.820 174.932 175.800 -0.081 0.000 1.138 441 F CA -0.507 57.430 58.000 -0.104 0.000 0.945 441 F CB 1.607 40.549 39.000 -0.097 0.000 1.181 441 F HN 0.530 nan 8.300 nan 0.000 0.435 442 Y N 2.280 122.552 120.300 -0.047 0.000 2.446 442 Y HA 0.821 5.372 4.550 0.001 0.000 0.338 442 Y C -3.126 172.814 175.900 0.067 0.000 1.055 442 Y CA -3.890 54.191 58.100 -0.033 0.000 1.101 442 Y CB 1.093 39.426 38.460 -0.212 0.000 1.221 442 Y HN 0.253 nan 8.280 nan 0.000 0.460 443 P HA 0.109 nan 4.420 nan 0.000 0.280 443 P C -0.335 177.049 177.300 0.140 0.000 1.244 443 P CA -0.120 63.022 63.100 0.070 0.000 0.784 443 P CB 2.068 33.827 31.700 0.098 0.000 0.913 444 S N 1.824 117.549 115.700 0.042 0.000 2.646 444 S HA 0.130 4.600 4.470 0.001 0.000 0.273 444 S C 1.563 176.208 174.600 0.075 0.000 1.168 444 S CA -0.463 57.795 58.200 0.097 0.000 1.013 444 S CB 0.314 63.522 63.200 0.013 0.000 1.098 444 S HN 0.476 nan 8.310 nan 0.000 0.544 445 K N 0.257 120.695 120.400 0.063 0.000 2.074 445 K HA -0.171 4.149 4.320 0.001 0.000 0.209 445 K C 0.915 177.526 176.600 0.019 0.000 1.048 445 K CA 2.164 58.477 56.287 0.043 0.000 0.926 445 K CB -0.411 32.111 32.500 0.037 0.000 0.713 445 K HN 0.735 nan 8.250 nan 0.000 0.444 446 D N -1.758 118.640 120.400 -0.003 0.000 2.328 446 D HA 0.064 4.704 4.640 0.001 0.000 0.226 446 D C 0.993 177.285 176.300 -0.013 0.000 1.066 446 D CA 0.723 54.713 54.000 -0.016 0.000 0.861 446 D CB 0.392 41.167 40.800 -0.040 0.000 0.912 446 D HN 0.426 nan 8.370 nan 0.000 0.521 447 G N -0.505 108.295 108.800 -0.001 0.000 2.217 447 G HA2 -0.274 3.686 3.960 0.001 0.000 0.246 447 G HA3 -0.274 3.686 3.960 0.001 0.000 0.246 447 G C 0.473 175.365 174.900 -0.013 0.000 0.990 447 G CA 0.245 45.345 45.100 0.001 0.000 0.627 447 G HN 0.456 nan 8.290 nan 0.000 0.522 448 T N 3.164 117.700 114.554 -0.029 0.000 2.902 448 T HA 0.422 4.772 4.350 0.001 0.000 0.301 448 T C 0.388 175.067 174.700 -0.036 0.000 1.012 448 T CA 0.192 62.276 62.100 -0.027 0.000 1.151 448 T CB 1.015 69.852 68.868 -0.052 0.000 0.946 448 T HN 0.180 nan 8.240 nan 0.000 0.542 449 K N 3.748 124.137 120.400 -0.019 0.000 2.297 449 K HA 0.351 4.671 4.320 0.001 0.000 0.286 449 K C -0.141 176.472 176.600 0.021 0.000 1.053 449 K CA -0.524 55.738 56.287 -0.041 0.000 0.940 449 K CB 0.524 33.001 32.500 -0.039 0.000 1.019 449 K HN 0.409 nan 8.250 nan 0.000 0.475 450 I N 5.107 125.536 120.570 -0.236 0.000 2.404 450 I HA 0.336 4.506 4.170 0.001 0.000 0.293 450 I C -2.304 173.699 176.117 -0.190 0.000 0.992 450 I CA -3.176 58.023 61.300 -0.167 0.000 1.149 450 I CB 1.315 38.937 38.000 -0.630 0.000 1.315 450 I HN 0.187 nan 8.210 nan 0.000 0.446 451 P HA 0.450 nan 4.420 nan 0.000 0.277 451 P C -0.769 176.390 177.300 -0.234 0.000 1.240 451 P CA -0.555 62.322 63.100 -0.371 0.000 0.798 451 P CB 0.980 32.501 31.700 -0.298 0.000 0.979 452 M N 2.385 121.744 119.600 -0.401 0.000 2.322 452 M HA 0.471 4.952 4.480 0.001 0.000 0.285 452 M C -1.901 174.228 176.300 -0.285 0.000 1.119 452 M CA -0.541 54.644 55.300 -0.192 0.000 0.953 452 M CB 1.135 33.715 32.600 -0.034 0.000 1.701 452 M HN -0.000 nan 8.290 nan 0.000 0.479 453 F N 5.062 125.005 119.950 -0.011 0.000 2.399 453 F HA 0.656 5.184 4.527 0.001 0.000 0.334 453 F C -0.245 175.482 175.800 -0.122 0.000 1.097 453 F CA -0.352 57.627 58.000 -0.035 0.000 1.076 453 F CB 1.223 40.258 39.000 0.060 0.000 1.162 453 F HN 0.373 nan 8.300 nan 0.000 0.495 454 I N 3.413 124.030 120.570 0.077 0.000 2.499 454 I HA 0.436 4.606 4.170 0.001 0.000 0.288 454 I C -1.266 174.847 176.117 -0.007 0.000 1.048 454 I CA -0.874 60.418 61.300 -0.013 0.000 1.062 454 I CB 2.021 39.963 38.000 -0.097 0.000 1.238 454 I HN 0.125 nan 8.210 nan 0.000 0.426 455 V N 5.771 125.646 119.914 -0.065 0.000 2.448 455 V HA 0.590 4.711 4.120 0.001 0.000 0.295 455 V C -0.763 175.375 176.094 0.072 0.000 1.025 455 V CA -0.448 61.788 62.300 -0.107 0.000 0.859 455 V CB 1.459 33.117 31.823 -0.274 0.000 0.988 455 V HN 0.972 nan 8.190 nan 0.000 0.431 456 H N 1.643 120.761 119.070 0.081 0.000 2.967 456 H HA 0.577 5.133 4.556 0.001 0.000 0.318 456 H C -0.770 174.671 175.328 0.188 0.000 1.375 456 H CA -1.185 54.931 56.048 0.113 0.000 1.132 456 H CB 1.208 31.027 29.762 0.095 0.000 1.848 456 H HN 0.466 nan 8.280 nan 0.000 0.524 457 K N 1.530 122.123 120.400 0.323 0.000 2.401 457 K HA 0.141 4.461 4.320 0.001 0.000 0.278 457 K C -0.504 176.176 176.600 0.135 0.000 1.018 457 K CA -0.493 55.876 56.287 0.135 0.000 0.981 457 K CB 0.504 33.023 32.500 0.032 0.000 0.933 457 K HN 0.585 nan 8.250 nan 0.000 0.477 458 K N 1.739 122.121 120.400 -0.031 0.000 2.414 458 K HA 0.014 4.334 4.320 0.001 0.000 0.272 458 K C 0.804 177.425 176.600 0.035 0.000 0.993 458 K CA 0.900 57.196 56.287 0.016 0.000 0.964 458 K CB 0.336 32.804 32.500 -0.054 0.000 0.925 458 K HN 0.941 nan 8.250 nan 0.000 0.487 459 G N 1.904 110.744 108.800 0.067 0.000 2.168 459 G HA2 -0.283 3.677 3.960 0.001 0.000 0.263 459 G HA3 -0.283 3.677 3.960 0.001 0.000 0.263 459 G C 0.313 175.216 174.900 0.005 0.000 0.977 459 G CA 0.586 45.703 45.100 0.028 0.000 0.659 459 G HN 0.733 nan 8.290 nan 0.000 0.533 460 I N -2.212 118.353 120.570 -0.008 0.000 2.836 460 I HA 0.543 4.714 4.170 0.001 0.000 0.285 460 I C 0.233 176.312 176.117 -0.062 0.000 1.174 460 I CA -0.575 60.676 61.300 -0.081 0.000 1.405 460 I CB 0.579 38.398 38.000 -0.302 0.000 1.385 460 I HN -0.226 nan 8.210 nan 0.000 0.594 461 K N 6.079 126.494 120.400 0.025 0.000 2.201 461 K HA 0.408 4.728 4.320 0.001 0.000 0.278 461 K C -0.383 176.244 176.600 0.045 0.000 1.027 461 K CA -0.451 55.846 56.287 0.017 0.000 0.909 461 K CB 1.620 34.134 32.500 0.023 0.000 1.062 461 K HN 0.648 nan 8.250 nan 0.000 0.465 462 L N 4.045 125.210 121.223 -0.095 0.000 2.437 462 L HA 0.029 4.370 4.340 0.001 0.000 0.243 462 L C 0.466 177.265 176.870 -0.118 0.000 1.346 462 L CA -0.101 54.631 54.840 -0.181 0.000 1.233 462 L CB -0.580 41.264 42.059 -0.358 0.000 1.436 462 L HN 0.558 nan 8.230 nan 0.000 0.416 463 D N -0.810 119.545 120.400 -0.074 0.000 2.363 463 D HA 0.085 4.725 4.640 0.001 0.000 0.214 463 D C 1.357 177.583 176.300 -0.123 0.000 1.093 463 D CA 0.250 54.190 54.000 -0.100 0.000 0.837 463 D CB 0.589 41.331 40.800 -0.096 0.000 0.948 463 D HN 0.348 nan 8.370 nan 0.000 0.507 464 G N 0.735 109.466 108.800 -0.115 0.000 2.155 464 G HA2 -0.360 3.600 3.960 0.001 0.000 0.257 464 G HA3 -0.360 3.600 3.960 0.001 0.000 0.257 464 G C 1.056 175.865 174.900 -0.151 0.000 0.983 464 G CA 0.845 45.892 45.100 -0.088 0.000 0.676 464 G HN 0.700 nan 8.290 nan 0.000 0.528 465 S N -0.324 115.165 115.700 -0.352 0.000 2.558 465 S HA 0.200 4.670 4.470 0.001 0.000 0.217 465 S C 0.803 175.171 174.600 -0.386 0.000 0.975 465 S CA 0.104 58.082 58.200 -0.369 0.000 0.912 465 S CB 0.018 62.981 63.200 -0.395 0.000 0.776 465 S HN 0.616 nan 8.310 nan 0.000 0.526 466 H N 2.405 121.490 119.070 0.026 0.000 2.487 466 H HA 0.459 5.015 4.556 0.001 0.000 0.333 466 H C -2.897 172.489 175.328 0.096 0.000 1.114 466 H CA -2.302 53.772 56.048 0.042 0.000 1.310 466 H CB 0.341 30.129 29.762 0.043 0.000 1.462 466 H HN 0.177 nan 8.280 nan 0.000 0.516 467 P HA 0.257 nan 4.420 nan 0.000 0.275 467 P C -0.865 176.693 177.300 0.431 0.000 1.228 467 P CA -0.193 63.085 63.100 0.296 0.000 0.786 467 P CB 0.877 32.739 31.700 0.269 0.000 0.927 468 A N 2.592 125.719 122.820 0.512 0.000 2.454 468 A HA 0.750 5.070 4.320 0.001 0.000 0.302 468 A C -1.771 176.132 177.584 0.532 0.000 1.079 468 A CA -0.488 51.866 52.037 0.529 0.000 0.731 468 A CB 0.928 20.121 19.000 0.321 0.000 1.299 468 A HN 0.471 nan 8.150 nan 0.000 0.413 469 F N 2.257 122.381 119.950 0.290 0.000 2.500 469 F HA 0.587 5.114 4.527 0.001 0.000 0.349 469 F C -1.198 174.682 175.800 0.134 0.000 1.127 469 F CA -0.835 57.199 58.000 0.056 0.000 0.998 469 F CB 1.528 40.364 39.000 -0.273 0.000 1.237 469 F HN 0.484 nan 8.300 nan 0.000 0.439 470 L N 8.157 129.342 121.223 -0.063 0.000 2.287 470 L HA 0.474 4.814 4.340 0.001 0.000 0.287 470 L C -1.920 175.007 176.870 0.096 0.000 1.022 470 L CA -0.646 54.210 54.840 0.026 0.000 0.814 470 L CB 0.792 42.791 42.059 -0.102 0.000 1.217 470 L HN 0.603 nan 8.230 nan 0.000 0.420 471 Y N 4.211 124.604 120.300 0.155 0.000 2.446 471 Y HA 0.831 5.381 4.550 0.001 0.000 0.338 471 Y C 0.127 176.238 175.900 0.351 0.000 1.055 471 Y CA -0.053 58.168 58.100 0.201 0.000 1.101 471 Y CB 1.973 40.567 38.460 0.224 0.000 1.221 471 Y HN 0.745 nan 8.280 nan 0.000 0.460 472 G N 3.183 111.636 108.800 -0.578 0.000 2.677 472 G HA2 0.311 4.272 3.960 0.001 0.000 0.291 472 G HA3 0.311 4.272 3.960 0.001 0.000 0.291 472 G C -2.059 172.416 174.900 -0.708 0.000 1.435 472 G CA -0.433 44.369 45.100 -0.497 0.000 0.826 472 G HN 0.646 nan 8.290 nan 0.000 0.491 473 Y N 0.309 120.334 120.300 -0.458 0.000 3.213 473 Y HA 0.486 5.036 4.550 0.001 0.000 0.168 473 Y C 1.452 177.207 175.900 -0.242 0.000 0.880 473 Y CA 1.491 59.398 58.100 -0.321 0.000 1.806 473 Y CB 0.515 38.901 38.460 -0.124 0.000 1.369 473 Y HN 1.735 nan 8.280 nan 0.000 0.377 474 G N 1.097 109.872 108.800 -0.042 0.000 2.546 474 G HA2 0.372 4.332 3.960 0.001 0.000 0.285 474 G HA3 0.372 4.332 3.960 0.001 0.000 0.285 474 G C -0.019 174.729 174.900 -0.253 0.000 1.105 474 G CA 0.400 45.405 45.100 -0.157 0.000 1.189 474 G HN 1.422 nan 8.290 nan 0.000 0.534 475 G N -1.062 107.709 108.800 -0.048 0.000 2.321 475 G HA2 0.609 4.569 3.960 0.001 0.000 0.298 475 G HA3 0.609 4.569 3.960 0.001 0.000 0.298 475 G C 0.025 175.009 174.900 0.140 0.000 1.385 475 G CA 0.160 45.184 45.100 -0.127 0.000 0.856 475 G HN 1.509 nan 8.290 nan 0.000 0.584 476 F N -0.314 119.605 119.950 -0.053 0.000 3.100 476 F HA -0.247 4.280 4.527 0.001 0.000 0.284 476 F C 1.347 176.957 175.800 -0.316 0.000 0.875 476 F CA 1.416 59.318 58.000 -0.163 0.000 1.039 476 F CB -1.474 37.490 39.000 -0.060 0.000 1.111 476 F HN 1.181 nan 8.300 nan 0.000 0.575 477 N N -0.594 117.833 118.700 -0.454 0.000 2.708 477 N HA -0.214 4.526 4.740 0.001 0.000 0.251 477 N C -0.431 175.054 175.510 -0.042 0.000 1.123 477 N CA 1.034 53.899 53.050 -0.309 0.000 0.739 477 N CB -0.622 37.623 38.487 -0.403 0.000 1.113 477 N HN 0.365 nan 8.380 nan 0.000 0.561 478 I N 0.826 121.434 120.570 0.063 0.000 2.371 478 I HA 0.162 4.332 4.170 0.001 0.000 0.290 478 I C 0.535 176.698 176.117 0.076 0.000 1.028 478 I CA -0.087 61.236 61.300 0.039 0.000 1.345 478 I CB 1.101 39.073 38.000 -0.046 0.000 1.407 478 I HN 0.059 nan 8.210 nan 0.000 0.501 479 S N 6.827 122.548 115.700 0.036 0.000 2.457 479 S HA 0.471 4.941 4.470 0.001 0.000 0.289 479 S C 0.160 174.803 174.600 0.072 0.000 1.163 479 S CA -0.542 57.691 58.200 0.056 0.000 1.078 479 S CB 1.046 64.248 63.200 0.003 0.000 0.987 479 S HN 0.246 nan 8.310 nan 0.000 0.482 480 I N 4.899 125.554 120.570 0.143 0.000 2.256 480 I HA 0.171 4.341 4.170 0.001 0.000 0.294 480 I C 1.134 177.383 176.117 0.220 0.000 1.127 480 I CA -0.188 61.228 61.300 0.194 0.000 1.247 480 I CB -0.831 37.358 38.000 0.316 0.000 1.460 480 I HN 0.585 nan 8.210 nan 0.000 0.511 481 T N 4.213 118.835 114.554 0.113 0.000 2.936 481 T HA 0.591 4.941 4.350 0.001 0.000 0.282 481 T C -2.639 171.952 174.700 -0.181 0.000 1.003 481 T CA -2.188 59.946 62.100 0.057 0.000 1.005 481 T CB 1.361 70.233 68.868 0.006 0.000 1.097 481 T HN 0.149 nan 8.240 nan 0.000 0.532 482 P HA 0.245 nan 4.420 nan 0.000 0.264 482 P C -0.847 175.994 177.300 -0.765 0.000 1.183 482 P CA 0.016 62.364 63.100 -1.254 0.000 0.763 482 P CB 0.054 30.977 31.700 -1.295 0.000 0.807 483 N N 0.610 118.873 118.700 -0.728 0.000 2.484 483 N HA 0.288 5.028 4.740 0.001 0.000 0.269 483 N C -1.853 173.604 175.510 -0.088 0.000 1.237 483 N CA -0.996 51.887 53.050 -0.278 0.000 0.838 483 N CB 0.692 39.097 38.487 -0.135 0.000 1.593 483 N HN 0.168 nan 8.380 nan 0.000 0.485 484 Y N 1.026 121.264 120.300 -0.103 0.000 2.393 484 Y HA 0.516 5.066 4.550 0.001 0.000 0.338 484 Y C -0.329 175.607 175.900 0.061 0.000 1.029 484 Y CA -0.077 58.018 58.100 -0.008 0.000 1.239 484 Y CB 0.833 39.290 38.460 -0.004 0.000 1.170 484 Y HN 0.674 nan 8.280 nan 0.000 0.515 485 S N 5.638 121.101 115.700 -0.394 0.000 2.774 485 S HA 0.340 4.811 4.470 0.001 0.000 0.297 485 S C 0.266 174.601 174.600 -0.441 0.000 1.143 485 S CA -0.741 57.293 58.200 -0.277 0.000 1.090 485 S CB 0.583 63.712 63.200 -0.118 0.000 1.019 485 S HN 0.623 nan 8.310 nan 0.000 0.482 486 V N 4.945 124.666 119.914 -0.321 0.000 2.407 486 V HA -0.142 3.978 4.120 0.001 0.000 0.248 486 V C 2.743 178.752 176.094 -0.142 0.000 1.055 486 V CA 2.414 64.591 62.300 -0.204 0.000 1.049 486 V CB -1.059 30.854 31.823 0.150 0.000 0.662 486 V HN 0.979 nan 8.190 nan 0.000 0.455 487 S N 0.681 116.334 115.700 -0.079 0.000 2.370 487 S HA -0.261 4.209 4.470 0.001 0.000 0.226 487 S C 2.069 176.538 174.600 -0.218 0.000 1.033 487 S CA 1.535 59.714 58.200 -0.034 0.000 1.011 487 S CB -0.495 62.778 63.200 0.122 0.000 0.852 487 S HN 0.585 nan 8.310 nan 0.000 0.457 488 R N 0.772 121.145 120.500 -0.211 0.000 2.090 488 R HA 0.229 4.569 4.340 0.001 0.000 0.228 488 R C 2.372 178.555 176.300 -0.194 0.000 1.110 488 R CA 1.217 57.166 56.100 -0.250 0.000 0.973 488 R CB -0.557 29.649 30.300 -0.158 0.000 0.869 488 R HN 0.408 nan 8.270 nan 0.000 0.440 489 L N 0.397 121.476 121.223 -0.240 0.000 2.201 489 L HA -0.138 4.202 4.340 0.001 0.000 0.212 489 L C 2.208 178.935 176.870 -0.238 0.000 1.105 489 L CA 1.024 55.688 54.840 -0.292 0.000 0.775 489 L CB -0.269 41.577 42.059 -0.356 0.000 0.913 489 L HN 0.194 nan 8.230 nan 0.000 0.440 490 I N -0.978 119.485 120.570 -0.178 0.000 2.315 490 I HA -0.311 3.859 4.170 0.001 0.000 0.248 490 I C 2.444 178.515 176.117 -0.077 0.000 1.117 490 I CA 1.206 62.449 61.300 -0.094 0.000 1.404 490 I CB -0.237 37.640 38.000 -0.206 0.000 1.071 490 I HN 0.172 nan 8.210 nan 0.000 0.419 491 F N 1.347 121.113 119.950 -0.307 0.000 2.134 491 F HA -0.200 4.327 4.527 0.001 0.000 0.299 491 F C 2.248 177.972 175.800 -0.126 0.000 1.097 491 F CA 1.565 59.419 58.000 -0.243 0.000 1.264 491 F CB -0.434 38.316 39.000 -0.418 0.000 1.001 491 F HN -0.224 nan 8.300 nan 0.000 0.479 492 V N 0.811 120.607 119.914 -0.197 0.000 2.244 492 V HA -0.277 3.843 4.120 0.001 0.000 0.244 492 V C 2.540 178.490 176.094 -0.241 0.000 1.042 492 V CA 2.309 64.463 62.300 -0.244 0.000 1.006 492 V CB -0.800 30.896 31.823 -0.211 0.000 0.641 492 V HN 0.280 nan 8.190 nan 0.000 0.446 493 R N -0.253 120.083 120.500 -0.274 0.000 2.062 493 R HA -0.100 4.240 4.340 0.001 0.000 0.229 493 R C 2.166 178.109 176.300 -0.595 0.000 1.128 493 R CA 1.807 57.692 56.100 -0.359 0.000 0.960 493 R CB -0.629 29.402 30.300 -0.447 0.000 0.855 493 R HN 0.633 nan 8.270 nan 0.000 0.432 494 H N -1.233 117.576 119.070 -0.435 0.000 2.575 494 H HA 0.244 4.800 4.556 0.001 0.000 0.267 494 H C 0.809 175.757 175.328 -0.633 0.000 0.966 494 H CA 0.828 56.400 56.048 -0.793 0.000 1.165 494 H CB 0.500 29.387 29.762 -1.457 0.000 1.433 494 H HN 0.254 nan 8.280 nan 0.000 0.544 495 M N -1.059 118.360 119.600 -0.302 0.000 2.340 495 M HA 0.228 4.709 4.480 0.001 0.000 0.345 495 M C 0.891 177.014 176.300 -0.295 0.000 1.008 495 M CA 0.084 55.266 55.300 -0.196 0.000 0.987 495 M CB 1.682 34.260 32.600 -0.036 0.000 1.598 495 M HN 0.203 nan 8.290 nan 0.000 0.569 496 G N 1.440 110.058 108.800 -0.302 0.000 2.249 496 G HA2 -0.207 3.753 3.960 0.001 0.000 0.273 496 G HA3 -0.207 3.753 3.960 0.001 0.000 0.273 496 G C 0.255 174.995 174.900 -0.267 0.000 1.036 496 G CA 0.109 45.083 45.100 -0.211 0.000 0.824 496 G HN 0.609 nan 8.290 nan 0.000 0.504 497 G N -1.816 106.625 108.800 -0.599 0.000 2.528 497 G HA2 0.655 4.616 3.960 0.001 0.000 0.289 497 G HA3 0.655 4.616 3.960 0.001 0.000 0.289 497 G C -0.314 174.525 174.900 -0.103 0.000 1.192 497 G CA -0.127 44.587 45.100 -0.644 0.000 0.921 497 G HN 0.892 nan 8.290 nan 0.000 0.512 498 V N 0.865 120.897 119.914 0.197 0.000 2.495 498 V HA 0.400 4.520 4.120 0.001 0.000 0.298 498 V C -0.339 175.990 176.094 0.392 0.000 1.031 498 V CA -0.686 61.772 62.300 0.264 0.000 0.871 498 V CB 1.338 33.314 31.823 0.256 0.000 0.988 498 V HN 0.669 nan 8.190 nan 0.000 0.432 499 L N 4.975 126.363 121.223 0.275 0.000 2.322 499 L HA 0.959 5.299 4.340 0.001 0.000 0.279 499 L C -0.022 176.927 176.870 0.132 0.000 1.036 499 L CA 0.014 55.008 54.840 0.256 0.000 0.807 499 L CB 1.366 43.495 42.059 0.117 0.000 1.226 499 L HN 0.791 nan 8.230 nan 0.000 0.433 500 A N 4.169 127.094 122.820 0.175 0.000 2.486 500 A HA 0.795 5.116 4.320 0.001 0.000 0.300 500 A C -1.750 175.964 177.584 0.216 0.000 1.048 500 A CA -0.537 51.566 52.037 0.110 0.000 0.696 500 A CB 1.847 20.872 19.000 0.040 0.000 1.278 500 A HN 0.544 nan 8.150 nan 0.000 0.405 501 V N 1.464 121.527 119.914 0.248 0.000 2.482 501 V HA 0.665 4.785 4.120 0.001 0.000 0.295 501 V C 0.247 176.544 176.094 0.338 0.000 1.026 501 V CA -0.243 62.296 62.300 0.400 0.000 0.856 501 V CB 1.459 33.602 31.823 0.533 0.000 1.001 501 V HN 1.389 nan 8.190 nan 0.000 0.424 502 A N 3.539 126.575 122.820 0.360 0.000 2.260 502 A HA 0.570 4.890 4.320 0.001 0.000 0.314 502 A C 0.168 177.958 177.584 0.343 0.000 1.257 502 A CA -0.523 51.719 52.037 0.341 0.000 0.871 502 A CB -0.025 19.211 19.000 0.392 0.000 1.166 502 A HN 0.887 nan 8.150 nan 0.000 0.522 503 N N 2.514 121.385 118.700 0.284 0.000 3.303 503 N HA 0.234 4.974 4.740 0.001 0.000 0.304 503 N C 0.364 176.151 175.510 0.461 0.000 1.302 503 N CA -0.182 53.057 53.050 0.315 0.000 1.213 503 N CB -0.140 38.460 38.487 0.189 0.000 1.481 503 N HN 0.798 nan 8.380 nan 0.000 0.546 504 I N -2.387 118.380 120.570 0.329 0.000 3.060 504 I HA 0.136 4.306 4.170 0.001 0.000 0.285 504 I C 0.616 176.715 176.117 -0.029 0.000 1.190 504 I CA -0.716 60.684 61.300 0.167 0.000 1.363 504 I CB 0.744 38.796 38.000 0.086 0.000 1.396 504 I HN 0.117 nan 8.210 nan 0.000 0.607 505 R N 2.098 122.302 120.500 -0.493 0.000 2.861 505 R HA 0.271 4.611 4.340 0.001 0.000 0.268 505 R C 1.175 177.195 176.300 -0.468 0.000 1.027 505 R CA 1.126 56.666 56.100 -0.934 0.000 1.163 505 R CB 0.069 29.772 30.300 -0.995 0.000 1.060 505 R HN 1.083 nan 8.270 nan 0.000 0.483 506 G N -0.189 108.387 108.800 -0.375 0.000 2.279 506 G HA2 -0.233 3.728 3.960 0.001 0.000 0.223 506 G HA3 -0.233 3.728 3.960 0.001 0.000 0.223 506 G C 0.519 175.463 174.900 0.073 0.000 1.015 506 G CA -0.209 44.797 45.100 -0.157 0.000 0.621 506 G HN 0.891 nan 8.290 nan 0.000 0.506 507 G N -0.426 108.468 108.800 0.157 0.000 2.553 507 G HA2 0.555 4.516 3.960 0.001 0.000 0.278 507 G HA3 0.555 4.516 3.960 0.001 0.000 0.278 507 G C 1.049 176.164 174.900 0.360 0.000 1.349 507 G CA 0.277 45.551 45.100 0.289 0.000 1.037 507 G HN 1.341 nan 8.290 nan 0.000 0.508 508 G N -1.560 107.378 108.800 0.230 0.000 3.453 508 G HA2 0.279 4.239 3.960 0.001 0.000 0.263 508 G HA3 0.279 4.239 3.960 0.001 0.000 0.263 508 G C 0.947 175.867 174.900 0.033 0.000 1.060 508 G CA 0.154 45.350 45.100 0.159 0.000 0.793 508 G HN 0.516 nan 8.290 nan 0.000 0.532 509 E N 0.113 120.267 120.200 -0.077 0.000 2.118 509 E HA -0.123 4.228 4.350 0.001 0.000 0.195 509 E C 0.221 176.266 176.600 -0.925 0.000 0.992 509 E CA 1.081 57.167 56.400 -0.524 0.000 0.804 509 E CB -0.149 29.173 29.700 -0.631 0.000 0.741 509 E HN 0.580 nan 8.360 nan 0.000 0.458 510 Y N -0.360 119.667 120.300 -0.455 0.000 2.669 510 Y HA 0.428 4.979 4.550 0.001 0.000 0.302 510 Y C 0.838 176.770 175.900 0.052 0.000 1.000 510 Y CA -0.095 57.834 58.100 -0.284 0.000 1.222 510 Y CB 0.703 38.820 38.460 -0.572 0.000 1.209 510 Y HN 0.108 nan 8.280 nan 0.000 0.571 511 G N 0.643 109.551 108.800 0.180 0.000 2.645 511 G HA2 -0.382 3.579 3.960 0.001 0.000 0.239 511 G HA3 -0.382 3.579 3.960 0.001 0.000 0.239 511 G C 0.743 175.827 174.900 0.307 0.000 1.331 511 G CA 0.313 45.577 45.100 0.273 0.000 0.890 511 G HN 0.336 nan 8.290 nan 0.000 0.572 512 E N -0.379 119.964 120.200 0.239 0.000 2.204 512 E HA -0.072 4.278 4.350 0.001 0.000 0.195 512 E C 2.764 179.472 176.600 0.179 0.000 0.990 512 E CA 2.714 59.238 56.400 0.207 0.000 0.821 512 E CB -0.491 29.253 29.700 0.073 0.000 0.750 512 E HN 0.946 nan 8.360 nan 0.000 0.477 513 T N -2.504 112.156 114.554 0.177 0.000 2.867 513 T HA -0.159 4.192 4.350 0.001 0.000 0.268 513 T C 1.827 176.660 174.700 0.222 0.000 1.057 513 T CA 0.912 63.102 62.100 0.149 0.000 1.136 513 T CB -0.814 68.140 68.868 0.143 0.000 0.874 513 T HN 0.410 nan 8.240 nan 0.000 0.466 514 W N 1.607 122.961 121.300 0.091 0.000 2.381 514 W HA -0.135 4.526 4.660 0.001 0.000 0.301 514 W C 2.353 178.916 176.519 0.074 0.000 1.205 514 W CA 1.315 58.719 57.345 0.098 0.000 1.285 514 W CB -0.414 29.150 29.460 0.173 0.000 1.133 514 W HN 0.503 nan 8.180 nan 0.000 0.521 515 H N 0.694 119.862 119.070 0.163 0.000 2.293 515 H HA -0.174 4.383 4.556 0.001 0.000 0.300 515 H C 2.067 177.316 175.328 -0.132 0.000 1.082 515 H CA 1.882 57.926 56.048 -0.007 0.000 1.308 515 H CB -0.099 29.679 29.762 0.027 0.000 1.375 515 H HN 0.044 nan 8.280 nan 0.000 0.495 516 K N -0.112 120.136 120.400 -0.253 0.000 2.280 516 K HA -0.062 4.259 4.320 0.001 0.000 0.202 516 K C 2.097 178.513 176.600 -0.306 0.000 1.047 516 K CA 0.692 56.769 56.287 -0.351 0.000 0.942 516 K CB -0.005 32.363 32.500 -0.221 0.000 0.739 516 K HN 0.366 nan 8.250 nan 0.000 0.457 517 G N 0.357 108.996 108.800 -0.269 0.000 2.776 517 G HA2 -0.065 3.895 3.960 0.001 0.000 0.209 517 G HA3 -0.065 3.895 3.960 0.001 0.000 0.209 517 G C 0.740 175.394 174.900 -0.409 0.000 1.145 517 G CA 0.492 45.394 45.100 -0.330 0.000 0.791 517 G HN 0.361 nan 8.290 nan 0.000 0.530 518 G N 0.243 108.796 108.800 -0.413 0.000 4.683 518 G HA2 0.502 4.462 3.960 0.001 0.000 0.273 518 G HA3 0.502 4.462 3.960 0.001 0.000 0.273 518 G C -0.099 174.537 174.900 -0.440 0.000 1.065 518 G CA -0.269 44.565 45.100 -0.444 0.000 0.837 518 G HN 0.499 nan 8.290 nan 0.000 0.526 519 I N -3.514 116.790 120.570 -0.443 0.000 3.174 519 I HA 0.720 4.890 4.170 0.001 0.000 0.313 519 I C 0.816 176.668 176.117 -0.441 0.000 1.155 519 I CA -1.287 59.757 61.300 -0.427 0.000 0.977 519 I CB 1.478 39.181 38.000 -0.496 0.000 1.248 519 I HN 0.083 nan 8.210 nan 0.000 0.453 520 L N 0.722 121.720 121.223 -0.375 0.000 5.891 520 L HA -0.396 3.944 4.340 0.001 0.000 0.053 520 L C 1.957 178.078 176.870 -1.247 0.000 2.528 520 L CA 1.406 55.871 54.840 -0.626 0.000 1.612 520 L CB -1.805 39.933 42.059 -0.534 0.000 2.817 520 L HN 0.973 nan 8.230 nan 0.000 0.990 521 A N -0.401 121.309 122.820 -1.850 0.000 2.070 521 A HA -0.095 4.226 4.320 0.001 0.000 0.220 521 A C 1.416 178.521 177.584 -0.798 0.000 1.159 521 A CA 2.078 53.051 52.037 -1.774 0.000 0.656 521 A CB -0.578 17.795 19.000 -1.046 0.000 0.800 521 A HN 0.674 nan 8.150 nan 0.000 0.453 522 N N -0.767 117.571 118.700 -0.603 0.000 2.268 522 N HA 0.018 4.758 4.740 0.001 0.000 0.204 522 N C 1.120 176.372 175.510 -0.431 0.000 1.124 522 N CA 0.345 53.141 53.050 -0.423 0.000 0.838 522 N CB 0.484 38.752 38.487 -0.364 0.000 0.994 522 N HN 0.400 nan 8.380 nan 0.000 0.489 523 K N 1.604 121.729 120.400 -0.459 0.000 2.152 523 K HA -0.167 4.153 4.320 0.001 0.000 0.206 523 K C 1.886 178.049 176.600 -0.728 0.000 1.048 523 K CA 1.167 57.113 56.287 -0.568 0.000 0.933 523 K CB -0.018 32.178 32.500 -0.508 0.000 0.721 523 K HN -0.023 nan 8.250 nan 0.000 0.447 524 Q N 0.594 120.150 119.800 -0.408 0.000 2.291 524 Q HA -0.095 4.246 4.340 0.001 0.000 0.206 524 Q C 1.257 177.099 176.000 -0.263 0.000 0.976 524 Q CA 1.558 57.253 55.803 -0.179 0.000 0.875 524 Q CB -0.315 28.434 28.738 0.019 0.000 0.927 524 Q HN 0.366 nan 8.270 nan 0.000 0.450 525 N N -0.725 117.773 118.700 -0.336 0.000 2.149 525 N HA -0.153 4.587 4.740 0.001 0.000 0.188 525 N C 1.533 176.834 175.510 -0.348 0.000 1.019 525 N CA 1.467 54.340 53.050 -0.296 0.000 0.857 525 N CB -0.684 37.605 38.487 -0.330 0.000 0.997 525 N HN 0.364 nan 8.380 nan 0.000 0.426 526 C N 0.285 119.239 119.300 -0.577 0.000 2.432 526 C HA -0.082 4.378 4.460 0.001 0.000 0.277 526 C C 2.435 177.187 174.990 -0.396 0.000 1.249 526 C CA 0.256 58.917 59.018 -0.594 0.000 1.725 526 C CB -1.550 25.644 27.740 -0.910 0.000 2.028 526 C HN 0.299 nan 8.230 nan 0.000 0.477 527 F N 1.564 121.431 119.950 -0.138 0.000 2.186 527 F HA -0.066 4.462 4.527 0.001 0.000 0.299 527 F C 2.159 177.992 175.800 0.055 0.000 1.090 527 F CA 1.229 59.205 58.000 -0.040 0.000 1.307 527 F CB -1.215 37.732 39.000 -0.088 0.000 1.019 527 F HN 0.207 nan 8.300 nan 0.000 0.489 528 D N 0.391 120.875 120.400 0.141 0.000 2.097 528 D HA -0.148 4.492 4.640 0.001 0.000 0.195 528 D C 1.824 178.210 176.300 0.145 0.000 0.989 528 D CA 1.457 55.528 54.000 0.119 0.000 0.827 528 D CB -0.522 40.306 40.800 0.046 0.000 0.966 528 D HN 0.172 nan 8.370 nan 0.000 0.456 529 D N -0.166 120.297 120.400 0.105 0.000 2.104 529 D HA -0.159 4.482 4.640 0.001 0.000 0.194 529 D C 1.836 178.346 176.300 0.349 0.000 0.994 529 D CA 0.555 54.673 54.000 0.197 0.000 0.830 529 D CB -0.471 40.374 40.800 0.076 0.000 0.959 529 D HN 0.151 nan 8.370 nan 0.000 0.452 530 F N 1.333 121.348 119.950 0.109 0.000 2.146 530 F HA -0.106 4.421 4.527 0.001 0.000 0.298 530 F C 2.410 178.293 175.800 0.138 0.000 1.096 530 F CA 1.221 59.286 58.000 0.109 0.000 1.275 530 F CB -0.217 38.816 39.000 0.055 0.000 1.008 530 F HN -0.074 nan 8.300 nan 0.000 0.480 531 Q N -1.182 118.770 119.800 0.254 0.000 2.124 531 Q HA -0.225 4.115 4.340 0.001 0.000 0.202 531 Q C 2.400 178.422 176.000 0.037 0.000 0.977 531 Q CA 1.902 57.804 55.803 0.166 0.000 0.850 531 Q CB -0.594 28.257 28.738 0.188 0.000 0.901 531 Q HN 0.413 nan 8.270 nan 0.000 0.429 532 C N 0.085 119.438 119.300 0.088 0.000 2.432 532 C HA -0.039 4.421 4.460 0.001 0.000 0.280 532 C C 2.768 177.621 174.990 -0.229 0.000 1.353 532 C CA 0.527 59.587 59.018 0.070 0.000 1.766 532 C CB -1.134 26.778 27.740 0.286 0.000 1.924 532 C HN 0.606 nan 8.230 nan 0.000 0.509 533 A N 0.709 123.279 122.820 -0.418 0.000 1.898 533 A HA 0.098 4.418 4.320 0.001 0.000 0.216 533 A C 2.384 179.731 177.584 -0.397 0.000 1.181 533 A CA 1.925 53.480 52.037 -0.802 0.000 0.620 533 A CB -0.881 17.805 19.000 -0.524 0.000 0.819 533 A HN 0.534 nan 8.150 nan 0.000 0.442 534 A N 0.061 122.707 122.820 -0.289 0.000 1.877 534 A HA -0.185 4.136 4.320 0.001 0.000 0.216 534 A C 1.909 179.426 177.584 -0.112 0.000 1.186 534 A CA 1.605 53.547 52.037 -0.159 0.000 0.620 534 A CB -0.572 18.387 19.000 -0.070 0.000 0.822 534 A HN 0.616 nan 8.150 nan 0.000 0.443 535 E N -1.614 118.522 120.200 -0.106 0.000 2.153 535 E HA -0.223 4.128 4.350 0.001 0.000 0.194 535 E C 1.840 178.422 176.600 -0.030 0.000 0.988 535 E CA 1.469 57.829 56.400 -0.066 0.000 0.811 535 E CB -0.331 29.346 29.700 -0.037 0.000 0.746 535 E HN 0.841 nan 8.360 nan 0.000 0.466 536 Y N 1.682 121.882 120.300 -0.167 0.000 2.163 536 Y HA -0.159 4.391 4.550 0.001 0.000 0.288 536 Y C 2.106 177.988 175.900 -0.029 0.000 1.136 536 Y CA 1.283 59.314 58.100 -0.116 0.000 1.147 536 Y CB -0.240 38.064 38.460 -0.259 0.000 0.987 536 Y HN -0.097 nan 8.280 nan 0.000 0.509 537 L N -0.296 120.991 121.223 0.107 0.000 2.079 537 L HA -0.245 4.095 4.340 0.001 0.000 0.210 537 L C 2.318 179.247 176.870 0.099 0.000 1.081 537 L CA 1.491 56.413 54.840 0.137 0.000 0.752 537 L CB -0.538 41.567 42.059 0.076 0.000 0.896 537 L HN 0.326 nan 8.230 nan 0.000 0.433 538 I N -0.384 120.189 120.570 0.006 0.000 2.277 538 I HA -0.256 3.915 4.170 0.001 0.000 0.243 538 I C 2.675 178.756 176.117 -0.059 0.000 1.094 538 I CA 1.114 62.402 61.300 -0.019 0.000 1.393 538 I CB -0.248 37.723 38.000 -0.047 0.000 1.078 538 I HN 0.174 nan 8.210 nan 0.000 0.417 539 K N 0.891 121.231 120.400 -0.098 0.000 2.097 539 K HA -0.180 4.141 4.320 0.001 0.000 0.206 539 K C 1.692 178.194 176.600 -0.162 0.000 1.049 539 K CA 1.314 57.529 56.287 -0.120 0.000 0.933 539 K CB 0.131 32.560 32.500 -0.117 0.000 0.717 539 K HN 0.169 nan 8.250 nan 0.000 0.442 540 E N -0.681 119.375 120.200 -0.240 0.000 2.502 540 E HA -0.001 4.349 4.350 0.001 0.000 0.194 540 E C 0.979 177.443 176.600 -0.226 0.000 1.062 540 E CA 0.836 57.085 56.400 -0.253 0.000 0.867 540 E CB 0.526 30.001 29.700 -0.374 0.000 0.888 540 E HN 0.602 nan 8.360 nan 0.000 0.510 541 G N 0.720 109.437 108.800 -0.139 0.000 2.141 541 G HA2 -0.337 3.623 3.960 0.001 0.000 0.242 541 G HA3 -0.337 3.623 3.960 0.001 0.000 0.242 541 G C 0.693 175.514 174.900 -0.131 0.000 0.982 541 G CA 0.386 45.399 45.100 -0.145 0.000 0.662 541 G HN 0.324 nan 8.290 nan 0.000 0.527 542 Y N 0.125 120.423 120.300 -0.003 0.000 2.314 542 Y HA 0.363 4.913 4.550 0.001 0.000 0.293 542 Y C 2.036 178.016 175.900 0.134 0.000 1.129 542 Y CA 1.966 60.106 58.100 0.067 0.000 1.201 542 Y CB 0.332 38.818 38.460 0.043 0.000 0.999 542 Y HN 0.418 nan 8.280 nan 0.000 0.541 543 T N -2.318 112.362 114.554 0.210 0.000 2.648 543 T HA 0.589 4.940 4.350 0.001 0.000 0.304 543 T C -1.332 173.405 174.700 0.061 0.000 1.312 543 T CA -0.673 61.515 62.100 0.146 0.000 1.023 543 T CB 1.033 70.015 68.868 0.191 0.000 1.612 543 T HN -0.138 nan 8.240 nan 0.000 0.487 544 S N 0.857 116.585 115.700 0.047 0.000 2.588 544 S HA 0.516 4.986 4.470 0.001 0.000 0.275 544 S C -2.187 172.422 174.600 0.015 0.000 1.130 544 S CA -0.963 57.242 58.200 0.009 0.000 0.855 544 S CB 1.965 65.161 63.200 -0.007 0.000 1.116 544 S HN 0.532 nan 8.310 nan 0.000 0.472 545 P HA -0.236 nan 4.420 nan 0.000 0.217 545 P C 1.274 178.584 177.300 0.017 0.000 1.162 545 P CA 1.641 64.716 63.100 -0.042 0.000 0.901 545 P CB 0.002 31.651 31.700 -0.085 0.000 0.793 546 K N -0.154 120.258 120.400 0.021 0.000 2.280 546 K HA -0.104 4.216 4.320 0.001 0.000 0.202 546 K C 1.573 178.220 176.600 0.078 0.000 1.047 546 K CA 1.377 57.691 56.287 0.045 0.000 0.942 546 K CB -0.318 32.200 32.500 0.031 0.000 0.739 546 K HN 0.099 nan 8.250 nan 0.000 0.457 547 R N 0.219 120.773 120.500 0.091 0.000 2.397 547 R HA 0.222 4.563 4.340 0.001 0.000 0.241 547 R C -0.418 175.998 176.300 0.193 0.000 0.914 547 R CA -0.456 55.726 56.100 0.137 0.000 1.071 547 R CB 0.246 30.618 30.300 0.120 0.000 1.116 547 R HN 0.086 nan 8.270 nan 0.000 0.524 548 L N 1.220 122.545 121.223 0.170 0.000 2.276 548 L HA 0.317 4.657 4.340 0.001 0.000 0.286 548 L C -0.686 176.310 176.870 0.210 0.000 1.061 548 L CA 0.419 55.378 54.840 0.199 0.000 0.807 548 L CB 1.735 43.895 42.059 0.168 0.000 1.177 548 L HN -0.131 nan 8.230 nan 0.000 0.429 549 T N 6.698 121.357 114.554 0.175 0.000 2.807 549 T HA 0.619 4.969 4.350 0.001 0.000 0.279 549 T C -0.262 174.375 174.700 -0.106 0.000 0.993 549 T CA -0.274 61.869 62.100 0.072 0.000 0.970 549 T CB 0.899 69.820 68.868 0.089 0.000 0.950 549 T HN 0.584 nan 8.240 nan 0.000 0.441 550 I N 1.249 121.723 120.570 -0.160 0.000 2.562 550 I HA 0.716 4.886 4.170 0.001 0.000 0.301 550 I C -0.407 175.536 176.117 -0.291 0.000 1.003 550 I CA -0.780 60.386 61.300 -0.224 0.000 1.127 550 I CB 1.933 39.807 38.000 -0.210 0.000 1.304 550 I HN 0.492 nan 8.210 nan 0.000 0.446 551 N N 2.882 121.401 118.700 -0.301 0.000 2.331 551 N HA 0.737 5.477 4.740 0.001 0.000 0.280 551 N C -1.303 174.101 175.510 -0.176 0.000 1.155 551 N CA -0.397 52.511 53.050 -0.238 0.000 0.822 551 N CB 2.783 41.051 38.487 -0.366 0.000 1.619 551 N HN 1.103 nan 8.380 nan 0.000 0.476 552 G N -0.070 108.642 108.800 -0.147 0.000 2.632 552 G HA2 0.590 4.550 3.960 0.001 0.000 0.292 552 G HA3 0.590 4.550 3.960 0.001 0.000 0.292 552 G C -1.539 173.321 174.900 -0.068 0.000 1.465 552 G CA -0.591 44.362 45.100 -0.245 0.000 0.824 552 G HN 0.579 nan 8.290 nan 0.000 0.509 553 G N -0.818 107.984 108.800 0.003 0.000 2.566 553 G HA2 0.842 4.802 3.960 0.001 0.000 0.311 553 G HA3 0.842 4.802 3.960 0.001 0.000 0.311 553 G C 0.558 175.463 174.900 0.009 0.000 1.322 553 G CA 1.174 46.278 45.100 0.006 0.000 0.969 553 G HN 2.287 nan 8.290 nan 0.000 0.490 554 A N 2.633 125.427 122.820 -0.043 0.000 5.122 554 A HA -0.353 3.967 4.320 0.001 0.000 0.315 554 A C 2.069 179.554 177.584 -0.166 0.000 1.926 554 A CA 2.149 54.161 52.037 -0.042 0.000 0.712 554 A CB -1.575 17.476 19.000 0.085 0.000 1.325 554 A HN 1.745 nan 8.150 nan 0.000 0.371 555 N N 0.798 119.352 118.700 -0.243 0.000 2.289 555 N HA 0.076 4.816 4.740 0.001 0.000 0.184 555 N C 1.567 176.813 175.510 -0.440 0.000 1.016 555 N CA 2.739 55.565 53.050 -0.373 0.000 0.872 555 N CB -0.643 37.486 38.487 -0.596 0.000 0.973 555 N HN 1.063 nan 8.380 nan 0.000 0.433 556 G N -1.141 107.434 108.800 -0.375 0.000 2.511 556 G HA2 -0.032 3.928 3.960 0.001 0.000 0.217 556 G HA3 -0.032 3.928 3.960 0.001 0.000 0.217 556 G C 1.413 176.149 174.900 -0.272 0.000 1.133 556 G CA 0.484 45.382 45.100 -0.337 0.000 0.792 556 G HN 0.420 nan 8.290 nan 0.000 0.539 557 G N 1.119 109.806 108.800 -0.189 0.000 2.402 557 G HA2 -0.099 3.862 3.960 0.001 0.000 0.216 557 G HA3 -0.099 3.862 3.960 0.001 0.000 0.216 557 G C 1.717 176.503 174.900 -0.191 0.000 1.162 557 G CA 1.000 46.004 45.100 -0.159 0.000 0.777 557 G HN 0.416 nan 8.290 nan 0.000 0.539 558 L N 0.456 121.556 121.223 -0.206 0.000 2.012 558 L HA 0.004 4.344 4.340 0.001 0.000 0.210 558 L C 2.518 179.311 176.870 -0.129 0.000 1.073 558 L CA 1.903 56.627 54.840 -0.192 0.000 0.748 558 L CB -0.731 41.228 42.059 -0.167 0.000 0.891 558 L HN 0.188 nan 8.230 nan 0.000 0.431 559 L N -0.341 120.805 121.223 -0.130 0.000 1.971 559 L HA -0.184 4.156 4.340 0.001 0.000 0.215 559 L C 2.578 179.346 176.870 -0.170 0.000 1.072 559 L CA 2.548 57.330 54.840 -0.096 0.000 0.758 559 L CB -0.903 40.910 42.059 -0.411 0.000 0.889 559 L HN 0.364 nan 8.230 nan 0.000 0.433 560 V N -2.487 117.275 119.914 -0.254 0.000 2.548 560 V HA -0.039 4.082 4.120 0.001 0.000 0.249 560 V C 2.464 178.463 176.094 -0.159 0.000 1.055 560 V CA 1.343 63.513 62.300 -0.218 0.000 1.065 560 V CB -1.718 29.974 31.823 -0.218 0.000 0.681 560 V HN 0.478 nan 8.190 nan 0.000 0.462 561 A N 0.766 123.509 122.820 -0.128 0.000 1.898 561 A HA -0.125 4.196 4.320 0.001 0.000 0.216 561 A C 2.351 179.886 177.584 -0.082 0.000 1.181 561 A CA 2.503 54.514 52.037 -0.044 0.000 0.620 561 A CB -1.295 17.579 19.000 -0.211 0.000 0.819 561 A HN 0.541 nan 8.150 nan 0.000 0.442 562 T N -0.816 113.596 114.554 -0.236 0.000 2.746 562 T HA -0.173 4.178 4.350 0.001 0.000 0.267 562 T C 1.879 176.438 174.700 -0.236 0.000 1.039 562 T CA 1.574 63.454 62.100 -0.368 0.000 1.142 562 T CB -0.627 67.665 68.868 -0.961 0.000 0.866 562 T HN 0.562 nan 8.240 nan 0.000 0.444 563 C N 1.575 120.788 119.300 -0.145 0.000 2.422 563 C HA 0.086 4.546 4.460 0.001 0.000 0.279 563 C C 3.163 178.213 174.990 0.101 0.000 1.305 563 C CA 0.312 59.350 59.018 0.033 0.000 1.757 563 C CB -1.408 26.364 27.740 0.054 0.000 1.962 563 C HN 0.652 nan 8.230 nan 0.000 0.499 564 A N 1.122 123.927 122.820 -0.026 0.000 1.898 564 A HA -0.147 4.173 4.320 0.001 0.000 0.216 564 A C 1.952 179.432 177.584 -0.173 0.000 1.181 564 A CA 1.717 53.743 52.037 -0.019 0.000 0.620 564 A CB -0.507 18.500 19.000 0.012 0.000 0.819 564 A HN 0.625 nan 8.150 nan 0.000 0.442 565 N N -0.088 118.583 118.700 -0.049 0.000 2.142 565 N HA -0.131 4.610 4.740 0.001 0.000 0.186 565 N C 1.915 177.403 175.510 -0.036 0.000 1.023 565 N CA 1.551 54.597 53.050 -0.007 0.000 0.852 565 N CB -0.402 38.155 38.487 0.118 0.000 0.998 565 N HN 0.662 nan 8.380 nan 0.000 0.424 566 Q N -0.332 119.457 119.800 -0.017 0.000 2.137 566 Q HA 0.102 4.442 4.340 0.001 0.000 0.198 566 Q C 0.110 176.120 176.000 0.016 0.000 0.960 566 Q CA 0.829 56.636 55.803 0.007 0.000 0.847 566 Q CB 0.431 29.174 28.738 0.008 0.000 0.915 566 Q HN 0.062 nan 8.270 nan 0.000 0.448 567 R N 0.253 120.781 120.500 0.048 0.000 2.674 567 R HA 0.176 4.516 4.340 0.001 0.000 0.270 567 R C -2.225 174.051 176.300 -0.039 0.000 1.492 567 R CA -1.410 54.687 56.100 -0.005 0.000 1.624 567 R CB 0.745 31.036 30.300 -0.014 0.000 1.307 567 R HN 0.122 nan 8.270 nan 0.000 0.683 568 P HA -0.169 nan 4.420 nan 0.000 0.221 568 P C 0.601 177.839 177.300 -0.103 0.000 1.145 568 P CA 1.178 64.186 63.100 -0.153 0.000 0.795 568 P CB 0.286 31.755 31.700 -0.385 0.000 0.775 569 D N -0.593 119.726 120.400 -0.135 0.000 2.348 569 D HA -0.104 4.537 4.640 0.001 0.000 0.216 569 D C 1.719 177.873 176.300 -0.243 0.000 0.970 569 D CA 0.359 54.277 54.000 -0.137 0.000 0.889 569 D CB -0.587 40.149 40.800 -0.107 0.000 0.912 569 D HN 0.137 nan 8.370 nan 0.000 0.524 570 L N -0.687 120.244 121.223 -0.487 0.000 2.529 570 L HA 0.263 4.603 4.340 0.001 0.000 0.223 570 L C -0.427 175.887 176.870 -0.927 0.000 1.113 570 L CA 0.407 54.758 54.840 -0.815 0.000 0.861 570 L CB -0.086 41.246 42.059 -1.210 0.000 1.012 570 L HN -0.179 nan 8.230 nan 0.000 0.461 571 F N -2.401 117.535 119.950 -0.024 0.000 2.563 571 F HA 0.587 5.114 4.527 0.001 0.000 0.316 571 F C 1.245 177.055 175.800 0.017 0.000 1.076 571 F CA -0.661 57.336 58.000 -0.005 0.000 0.921 571 F CB 1.197 40.195 39.000 -0.003 0.000 1.209 571 F HN -0.285 nan 8.300 nan 0.000 0.462 572 G N -0.467 108.463 108.800 0.217 0.000 2.545 572 G HA2 0.155 4.115 3.960 0.001 0.000 0.212 572 G HA3 0.155 4.115 3.960 0.001 0.000 0.212 572 G C -0.425 174.573 174.900 0.164 0.000 1.144 572 G CA 0.347 45.538 45.100 0.152 0.000 0.813 572 G HN 0.647 nan 8.290 nan 0.000 0.531 573 C N -0.109 119.306 119.300 0.191 0.000 2.880 573 C HA 0.723 5.184 4.460 0.001 0.000 0.320 573 C C -1.342 173.738 174.990 0.149 0.000 1.176 573 C CA -0.620 58.512 59.018 0.190 0.000 1.390 573 C CB 1.200 29.044 27.740 0.174 0.000 1.846 573 C HN 0.091 nan 8.230 nan 0.000 0.478 574 V N 6.082 126.093 119.914 0.161 0.000 2.577 574 V HA 0.543 4.663 4.120 0.001 0.000 0.303 574 V C -0.559 175.562 176.094 0.045 0.000 1.042 574 V CA -0.272 62.049 62.300 0.035 0.000 0.872 574 V CB 1.767 33.591 31.823 0.003 0.000 0.998 574 V HN 0.742 nan 8.190 nan 0.000 0.423 575 I N 4.129 124.679 120.570 -0.033 0.000 2.420 575 I HA 0.668 4.838 4.170 0.001 0.000 0.282 575 I C 0.205 176.282 176.117 -0.067 0.000 1.019 575 I CA -0.509 60.756 61.300 -0.058 0.000 1.130 575 I CB 1.742 39.711 38.000 -0.052 0.000 1.262 575 I HN 0.686 nan 8.210 nan 0.000 0.454 576 A N 6.710 129.499 122.820 -0.052 0.000 2.256 576 A HA 0.581 4.901 4.320 0.001 0.000 0.317 576 A C -0.425 177.137 177.584 -0.035 0.000 1.318 576 A CA -0.468 51.543 52.037 -0.044 0.000 0.894 576 A CB 0.534 19.531 19.000 -0.006 0.000 1.165 576 A HN 0.709 nan 8.150 nan 0.000 0.525 577 Q N 1.362 121.140 119.800 -0.037 0.000 2.257 577 Q HA 0.431 4.771 4.340 0.001 0.000 0.255 577 Q C 0.549 176.525 176.000 -0.040 0.000 0.920 577 Q CA -0.327 55.456 55.803 -0.035 0.000 0.927 577 Q CB 2.043 30.764 28.738 -0.028 0.000 1.229 577 Q HN 1.499 nan 8.270 nan 0.000 0.433 578 V N -0.095 119.809 119.914 -0.017 0.000 5.176 578 V HA -0.241 3.879 4.120 0.001 0.000 0.252 578 V C 0.284 176.395 176.094 0.027 0.000 0.665 578 V CA 0.862 63.181 62.300 0.032 0.000 0.654 578 V CB -2.339 29.494 31.823 0.017 0.000 0.440 578 V HN 0.833 nan 8.190 nan 0.000 0.806 579 G N -0.011 108.777 108.800 -0.019 0.000 2.444 579 G HA2 0.535 4.495 3.960 0.001 0.000 0.268 579 G HA3 0.535 4.495 3.960 0.001 0.000 0.268 579 G C -0.230 174.561 174.900 -0.182 0.000 1.203 579 G CA -0.207 44.834 45.100 -0.099 0.000 0.835 579 G HN 1.224 nan 8.290 nan 0.000 0.543 580 V N 3.929 123.669 119.914 -0.288 0.000 2.356 580 V HA 0.079 4.199 4.120 0.001 0.000 0.258 580 V C 0.659 176.566 176.094 -0.311 0.000 1.065 580 V CA -0.278 61.738 62.300 -0.473 0.000 0.935 580 V CB 0.981 32.572 31.823 -0.386 0.000 1.061 580 V HN 0.696 nan 8.190 nan 0.000 0.484 581 M N 1.173 120.681 119.600 -0.153 0.000 2.615 581 M HA 0.252 4.732 4.480 0.001 0.000 0.262 581 M C 0.710 177.006 176.300 -0.006 0.000 1.198 581 M CA 0.473 55.658 55.300 -0.192 0.000 1.165 581 M CB -0.275 32.124 32.600 -0.336 0.000 1.310 581 M HN 0.529 nan 8.290 nan 0.000 0.494 582 D N 1.565 122.189 120.400 0.374 0.000 2.479 582 D HA 0.198 4.838 4.640 0.001 0.000 0.218 582 D C 0.736 177.297 176.300 0.435 0.000 1.131 582 D CA -0.016 54.175 54.000 0.319 0.000 0.916 582 D CB 0.801 41.742 40.800 0.236 0.000 1.022 582 D HN -0.044 nan 8.370 nan 0.000 0.515 583 M N 2.930 122.696 119.600 0.276 0.000 2.619 583 M HA 0.017 4.498 4.480 0.001 0.000 0.251 583 M C 1.504 178.039 176.300 0.392 0.000 1.106 583 M CA 0.496 55.978 55.300 0.303 0.000 1.086 583 M CB -0.177 32.378 32.600 -0.076 0.000 1.465 583 M HN 0.456 nan 8.290 nan 0.000 0.506 584 L N -0.818 120.554 121.223 0.249 0.000 2.416 584 L HA -0.041 4.299 4.340 0.001 0.000 0.216 584 L C 1.545 178.581 176.870 0.277 0.000 1.098 584 L CA 0.650 55.578 54.840 0.147 0.000 0.840 584 L CB -0.117 41.841 42.059 -0.167 0.000 0.981 584 L HN 0.245 nan 8.230 nan 0.000 0.462 585 K N -0.447 120.108 120.400 0.258 0.000 2.438 585 K HA 0.114 4.434 4.320 0.001 0.000 0.206 585 K C 1.513 178.069 176.600 -0.074 0.000 1.081 585 K CA -0.075 56.228 56.287 0.028 0.000 1.053 585 K CB 0.419 32.992 32.500 0.122 0.000 0.908 585 K HN 0.097 nan 8.250 nan 0.000 0.556 586 F N 2.045 122.188 119.950 0.321 0.000 2.192 586 F HA -0.242 4.286 4.527 0.001 0.000 0.301 586 F C 2.167 178.036 175.800 0.116 0.000 1.079 586 F CA 1.387 59.653 58.000 0.444 0.000 1.303 586 F CB -0.923 38.422 39.000 0.574 0.000 1.024 586 F HN 0.136 nan 8.300 nan 0.000 0.494 587 H N 0.670 119.190 119.070 -0.916 0.000 2.545 587 H HA 0.065 4.621 4.556 0.001 0.000 0.282 587 H C 1.183 176.272 175.328 -0.398 0.000 1.020 587 H CA 1.174 56.842 56.048 -0.634 0.000 1.243 587 H CB -0.684 28.650 29.762 -0.713 0.000 1.377 587 H HN 0.425 nan 8.280 nan 0.000 0.581 588 K N 0.223 119.970 120.400 -1.089 0.000 2.366 588 K HA 0.028 4.349 4.320 0.001 0.000 0.198 588 K C -0.362 175.763 176.600 -0.793 0.000 1.044 588 K CA 0.390 56.070 56.287 -1.011 0.000 0.973 588 K CB 0.189 31.881 32.500 -1.347 0.000 0.767 588 K HN 0.233 nan 8.250 nan 0.000 0.475 589 Y N 0.794 121.007 120.300 -0.145 0.000 2.446 589 Y HA 0.060 4.610 4.550 0.001 0.000 0.338 589 Y C 1.516 177.361 175.900 -0.092 0.000 1.055 589 Y CA -1.013 57.041 58.100 -0.077 0.000 1.101 589 Y CB 1.057 39.499 38.460 -0.031 0.000 1.221 589 Y HN 0.178 nan 8.280 nan 0.000 0.460 590 T N -0.333 114.282 114.554 0.102 0.000 8.188 590 T HA -0.407 3.943 4.350 0.001 0.000 0.253 590 T C 0.864 175.511 174.700 -0.087 0.000 1.618 590 T CA 1.933 64.041 62.100 0.013 0.000 1.500 590 T CB -1.142 67.741 68.868 0.026 0.000 1.763 590 T HN 0.611 nan 8.240 nan 0.000 0.450 591 I N 2.536 122.980 120.570 -0.210 0.000 3.904 591 I HA 0.508 4.678 4.170 0.001 0.000 0.333 591 I C 2.144 177.667 176.117 -0.990 0.000 1.361 591 I CA 0.458 61.440 61.300 -0.530 0.000 1.116 591 I CB -0.557 37.172 38.000 -0.452 0.000 1.028 591 I HN 0.743 nan 8.210 nan 0.000 0.398 592 G N 0.365 108.598 108.800 -0.945 0.000 2.462 592 G HA2 -0.344 3.617 3.960 0.001 0.000 0.220 592 G HA3 -0.344 3.617 3.960 0.001 0.000 0.220 592 G C 1.424 175.889 174.900 -0.724 0.000 1.121 592 G CA 1.309 45.573 45.100 -1.392 0.000 0.758 592 G HN 0.708 nan 8.290 nan 0.000 0.559 593 H N -0.361 118.491 119.070 -0.363 0.000 2.489 593 H HA 0.309 4.865 4.556 0.001 0.000 0.295 593 H C 2.298 177.572 175.328 -0.089 0.000 1.082 593 H CA 1.080 57.043 56.048 -0.141 0.000 1.295 593 H CB -0.455 29.244 29.762 -0.105 0.000 1.380 593 H HN 0.278 nan 8.280 nan 0.000 0.548 594 A N 0.580 123.113 122.820 -0.478 0.000 2.119 594 A HA -0.028 4.292 4.320 0.001 0.000 0.216 594 A C 1.077 178.754 177.584 0.155 0.000 1.152 594 A CA 0.666 52.602 52.037 -0.167 0.000 0.708 594 A CB -0.651 18.166 19.000 -0.305 0.000 0.805 594 A HN 0.587 nan 8.150 nan 0.000 0.460 595 W N 0.678 122.101 121.300 0.205 0.000 3.256 595 W HA 0.079 4.740 4.660 0.001 0.000 0.269 595 W C 1.935 178.592 176.519 0.230 0.000 1.310 595 W CA 0.810 58.292 57.345 0.229 0.000 1.673 595 W CB -1.715 27.837 29.460 0.154 0.000 1.115 595 W HN 0.512 nan 8.180 nan 0.000 0.686 596 T N -2.268 112.606 114.554 0.532 0.000 2.977 596 T HA -0.190 4.160 4.350 0.001 0.000 0.271 596 T C 1.717 176.562 174.700 0.242 0.000 1.105 596 T CA 1.926 64.309 62.100 0.472 0.000 1.116 596 T CB -0.701 68.378 68.868 0.352 0.000 0.878 596 T HN 0.149 nan 8.240 nan 0.000 0.509 597 T N -0.935 113.705 114.554 0.144 0.000 2.915 597 T HA -0.025 4.325 4.350 0.001 0.000 0.269 597 T C 1.416 176.057 174.700 -0.098 0.000 1.071 597 T CA 1.258 63.377 62.100 0.033 0.000 1.132 597 T CB -0.341 68.542 68.868 0.026 0.000 0.878 597 T HN 0.328 nan 8.240 nan 0.000 0.479 598 D N -0.364 119.894 120.400 -0.236 0.000 2.323 598 D HA 0.162 4.803 4.640 0.001 0.000 0.218 598 D C 1.146 177.280 176.300 -0.278 0.000 0.973 598 D CA 0.490 54.171 54.000 -0.533 0.000 0.890 598 D CB 0.110 40.089 40.800 -1.369 0.000 1.011 598 D HN 0.414 nan 8.370 nan 0.000 0.499 599 Y N -0.161 120.146 120.300 0.012 0.000 2.524 599 Y HA 0.426 4.977 4.550 0.001 0.000 0.270 599 Y C 1.484 177.546 175.900 0.270 0.000 1.094 599 Y CA 0.388 58.562 58.100 0.122 0.000 1.276 599 Y CB 0.130 38.632 38.460 0.071 0.000 1.130 599 Y HN -0.051 nan 8.280 nan 0.000 0.536 600 G N -0.442 108.603 108.800 0.407 0.000 2.631 600 G HA2 -0.122 3.839 3.960 0.001 0.000 0.504 600 G HA3 -0.122 3.839 3.960 0.001 0.000 0.504 600 G C -1.247 173.943 174.900 0.484 0.000 1.306 600 G CA -0.973 44.269 45.100 0.237 0.000 0.897 600 G HN 0.403 nan 8.290 nan 0.000 0.520 601 C N 0.126 119.718 119.300 0.487 0.000 2.609 601 C HA 0.742 5.203 4.460 0.001 0.000 0.313 601 C C 1.965 177.008 174.990 0.087 0.000 1.175 601 C CA 0.665 59.765 59.018 0.136 0.000 1.434 601 C CB 0.884 28.582 27.740 -0.070 0.000 2.005 601 C HN 2.027 nan 8.230 nan 0.000 0.471 602 S N 1.939 117.656 115.700 0.029 0.000 2.500 602 S HA -0.140 4.330 4.470 0.001 0.000 0.239 602 S C 0.878 175.646 174.600 0.279 0.000 0.989 602 S CA 1.660 60.001 58.200 0.236 0.000 0.951 602 S CB -0.281 63.135 63.200 0.360 0.000 0.759 602 S HN 0.867 nan 8.310 nan 0.000 0.523 603 D N 1.826 122.253 120.400 0.046 0.000 2.219 603 D HA 0.033 4.673 4.640 0.001 0.000 0.205 603 D C 0.910 177.270 176.300 0.100 0.000 0.970 603 D CA 0.819 54.848 54.000 0.048 0.000 0.851 603 D CB -0.247 40.508 40.800 -0.075 0.000 0.943 603 D HN 0.503 nan 8.370 nan 0.000 0.488 604 S N 0.158 115.806 115.700 -0.087 0.000 2.499 604 S HA 0.120 4.591 4.470 0.001 0.000 0.279 604 S C 1.040 175.337 174.600 -0.505 0.000 1.219 604 S CA -0.700 57.295 58.200 -0.341 0.000 1.062 604 S CB 1.683 64.429 63.200 -0.758 0.000 0.978 604 S HN -0.015 nan 8.310 nan 0.000 0.489 605 K N 3.351 123.275 120.400 -0.794 0.000 2.097 605 K HA -0.176 4.145 4.320 0.001 0.000 0.206 605 K C 2.059 178.389 176.600 -0.449 0.000 1.049 605 K CA 1.593 57.305 56.287 -0.958 0.000 0.933 605 K CB -0.244 31.846 32.500 -0.683 0.000 0.717 605 K HN 0.856 nan 8.250 nan 0.000 0.442 606 Q N -0.035 119.505 119.800 -0.434 0.000 2.061 606 Q HA -0.219 4.121 4.340 0.001 0.000 0.204 606 Q C 1.797 177.288 176.000 -0.847 0.000 0.984 606 Q CA 1.859 57.389 55.803 -0.454 0.000 0.846 606 Q CB -0.142 28.401 28.738 -0.326 0.000 0.902 606 Q HN 0.630 nan 8.270 nan 0.000 0.421 607 H N -1.167 117.316 119.070 -0.978 0.000 2.321 607 H HA -0.141 4.415 4.556 0.001 0.000 0.300 607 H C 1.983 177.021 175.328 -0.483 0.000 1.087 607 H CA 0.914 56.328 56.048 -1.056 0.000 1.319 607 H CB -0.204 29.275 29.762 -0.471 0.000 1.379 607 H HN 0.321 nan 8.280 nan 0.000 0.501 608 F N 2.544 122.344 119.950 -0.249 0.000 2.120 608 F HA -0.230 4.297 4.527 0.001 0.000 0.300 608 F C 2.186 177.886 175.800 -0.167 0.000 1.095 608 F CA 1.288 59.197 58.000 -0.152 0.000 1.249 608 F CB -0.016 38.965 39.000 -0.032 0.000 0.995 608 F HN 0.015 nan 8.300 nan 0.000 0.480 609 E N -0.132 119.968 120.200 -0.167 0.000 2.153 609 E HA -0.210 4.141 4.350 0.001 0.000 0.194 609 E C 2.110 178.680 176.600 -0.051 0.000 0.988 609 E CA 1.269 57.592 56.400 -0.130 0.000 0.811 609 E CB -0.654 29.037 29.700 -0.014 0.000 0.746 609 E HN 0.572 nan 8.360 nan 0.000 0.466 610 W N 0.680 121.944 121.300 -0.060 0.000 2.444 610 W HA 0.063 4.723 4.660 0.001 0.000 0.308 610 W C 2.291 178.727 176.519 -0.138 0.000 1.183 610 W CA 0.083 57.427 57.345 -0.001 0.000 1.340 610 W CB -1.341 28.169 29.460 0.083 0.000 1.138 610 W HN 0.043 nan 8.180 nan 0.000 0.510 611 L N -0.013 121.176 121.223 -0.057 0.000 2.012 611 L HA -0.238 4.102 4.340 0.001 0.000 0.210 611 L C 2.410 178.859 176.870 -0.701 0.000 1.073 611 L CA 1.189 55.722 54.840 -0.511 0.000 0.748 611 L CB -1.090 40.784 42.059 -0.307 0.000 0.891 611 L HN -0.148 nan 8.230 nan 0.000 0.431 612 I N -0.099 120.022 120.570 -0.749 0.000 2.454 612 I HA -0.261 3.909 4.170 0.001 0.000 0.254 612 I C 2.305 178.210 176.117 -0.353 0.000 1.156 612 I CA 1.565 62.431 61.300 -0.724 0.000 1.433 612 I CB -0.271 37.050 38.000 -1.133 0.000 1.082 612 I HN 0.118 nan 8.210 nan 0.000 0.432 613 K N -0.746 119.521 120.400 -0.222 0.000 2.217 613 K HA -0.137 4.183 4.320 0.001 0.000 0.202 613 K C 1.330 177.950 176.600 0.033 0.000 1.051 613 K CA 1.700 57.971 56.287 -0.028 0.000 0.952 613 K CB -0.106 32.447 32.500 0.087 0.000 0.736 613 K HN 0.634 nan 8.250 nan 0.000 0.453 614 Y N -2.540 117.717 120.300 -0.071 0.000 2.432 614 Y HA 0.326 4.876 4.550 0.001 0.000 0.252 614 Y C 0.447 176.234 175.900 -0.188 0.000 1.097 614 Y CA -0.829 57.174 58.100 -0.163 0.000 1.250 614 Y CB -0.062 38.293 38.460 -0.174 0.000 1.245 614 Y HN -0.255 nan 8.280 nan 0.000 0.522 615 S N 3.852 119.331 115.700 -0.369 0.000 2.737 615 S HA 0.032 4.503 4.470 0.001 0.000 0.315 615 S C -1.429 173.113 174.600 -0.097 0.000 1.236 615 S CA -0.695 57.383 58.200 -0.203 0.000 1.093 615 S CB 0.576 63.752 63.200 -0.040 0.000 0.832 615 S HN 0.230 nan 8.310 nan 0.000 0.507 616 P HA -0.127 nan 4.420 nan 0.000 0.216 616 P C 1.540 178.759 177.300 -0.135 0.000 1.153 616 P CA 0.557 63.486 63.100 -0.285 0.000 0.858 616 P CB 0.048 31.286 31.700 -0.770 0.000 0.789 617 L N -1.273 119.807 121.223 -0.239 0.000 2.265 617 L HA -0.149 4.192 4.340 0.001 0.000 0.215 617 L C 1.234 177.881 176.870 -0.371 0.000 1.117 617 L CA 2.036 56.747 54.840 -0.214 0.000 0.782 617 L CB -1.147 40.664 42.059 -0.413 0.000 0.914 617 L HN 0.108 nan 8.230 nan 0.000 0.441 618 H N -1.936 117.153 119.070 0.032 0.000 2.542 618 H HA 0.336 4.893 4.556 0.001 0.000 0.283 618 H C 0.491 175.839 175.328 0.034 0.000 1.059 618 H CA 0.082 56.139 56.048 0.015 0.000 1.162 618 H CB 0.075 29.791 29.762 -0.075 0.000 1.539 618 H HN 0.268 nan 8.280 nan 0.000 0.543 619 N N 0.615 119.388 118.700 0.121 0.000 2.305 619 N HA 0.088 4.828 4.740 0.001 0.000 0.248 619 N C -0.783 174.833 175.510 0.177 0.000 1.290 619 N CA 0.119 53.245 53.050 0.126 0.000 0.873 619 N CB 1.940 40.475 38.487 0.080 0.000 1.261 619 N HN -0.008 nan 8.380 nan 0.000 0.504 620 V N 1.726 121.748 119.914 0.180 0.000 2.470 620 V HA 0.199 4.319 4.120 0.001 0.000 0.276 620 V C 0.380 176.544 176.094 0.117 0.000 1.040 620 V CA 0.225 62.627 62.300 0.170 0.000 1.008 620 V CB 0.769 32.628 31.823 0.061 0.000 0.990 620 V HN 0.113 nan 8.190 nan 0.000 0.477 621 K N 4.977 125.480 120.400 0.170 0.000 2.543 621 K HA 0.478 4.798 4.320 0.001 0.000 0.255 621 K C -1.104 175.596 176.600 0.167 0.000 0.934 621 K CA -0.889 55.474 56.287 0.126 0.000 0.810 621 K CB 1.784 34.365 32.500 0.135 0.000 1.315 621 K HN 0.519 nan 8.250 nan 0.000 0.433 622 L N 4.641 125.909 121.223 0.075 0.000 2.540 622 L HA 0.129 4.470 4.340 0.001 0.000 0.276 622 L C -2.001 174.955 176.870 0.142 0.000 1.212 622 L CA -1.490 53.403 54.840 0.089 0.000 0.893 622 L CB 0.205 42.280 42.059 0.027 0.000 1.138 622 L HN 0.496 nan 8.230 nan 0.000 0.491 623 P HA 0.027 nan 4.420 nan 0.000 0.271 623 P C 0.251 177.597 177.300 0.076 0.000 1.216 623 P CA -0.259 62.916 63.100 0.125 0.000 0.771 623 P CB 0.614 32.385 31.700 0.118 0.000 0.864 624 E N 1.918 122.152 120.200 0.057 0.000 2.051 624 E HA -0.127 4.224 4.350 0.001 0.000 0.192 624 E C 0.754 177.373 176.600 0.033 0.000 0.991 624 E CA 1.015 57.439 56.400 0.041 0.000 0.799 624 E CB -0.488 29.233 29.700 0.034 0.000 0.748 624 E HN 0.533 nan 8.360 nan 0.000 0.449 625 A N 2.311 125.148 122.820 0.030 0.000 2.488 625 A HA -0.009 4.312 4.320 0.001 0.000 0.249 625 A C 0.614 178.213 177.584 0.025 0.000 1.083 625 A CA -0.217 51.833 52.037 0.022 0.000 0.768 625 A CB 0.302 19.311 19.000 0.015 0.000 1.017 625 A HN -0.051 nan 8.150 nan 0.000 0.496 626 D N 1.254 121.666 120.400 0.019 0.000 2.178 626 D HA -0.150 4.491 4.640 0.001 0.000 0.201 626 D C 1.093 177.405 176.300 0.019 0.000 0.980 626 D CA 1.743 55.754 54.000 0.019 0.000 0.842 626 D CB -0.009 40.799 40.800 0.013 0.000 0.948 626 D HN 0.805 nan 8.370 nan 0.000 0.472 627 D N -0.012 120.398 120.400 0.016 0.000 2.349 627 D HA -0.076 4.565 4.640 0.001 0.000 0.224 627 D C 0.392 176.703 176.300 0.019 0.000 1.029 627 D CA 0.035 54.044 54.000 0.014 0.000 0.879 627 D CB 0.277 41.081 40.800 0.007 0.000 0.906 627 D HN 0.104 nan 8.370 nan 0.000 0.528 628 I N 1.804 122.390 120.570 0.027 0.000 2.406 628 I HA 0.270 4.440 4.170 0.001 0.000 0.290 628 I C 0.251 176.409 176.117 0.068 0.000 0.999 628 I CA -0.723 60.598 61.300 0.035 0.000 1.124 628 I CB 1.477 39.491 38.000 0.023 0.000 1.289 628 I HN 0.085 nan 8.210 nan 0.000 0.441 629 Q N 4.606 124.458 119.800 0.087 0.000 2.633 629 Q HA 0.537 4.878 4.340 0.001 0.000 0.292 629 Q C -1.501 174.627 176.000 0.213 0.000 1.089 629 Q CA -0.855 55.036 55.803 0.147 0.000 0.811 629 Q CB 1.670 30.475 28.738 0.111 0.000 1.472 629 Q HN 0.328 nan 8.270 nan 0.000 0.464 630 Y N 1.267 121.594 120.300 0.044 0.000 2.314 630 Y HA 0.286 4.837 4.550 0.001 0.000 0.334 630 Y C -1.935 174.014 175.900 0.082 0.000 1.266 630 Y CA -1.842 56.296 58.100 0.063 0.000 1.391 630 Y CB 0.420 38.906 38.460 0.043 0.000 1.306 630 Y HN 0.538 nan 8.280 nan 0.000 0.558 631 P HA 0.050 nan 4.420 nan 0.000 0.273 631 P C -0.720 176.709 177.300 0.215 0.000 1.250 631 P CA -0.323 62.888 63.100 0.184 0.000 0.793 631 P CB 0.634 32.453 31.700 0.199 0.000 1.011 632 S N 0.664 116.480 115.700 0.194 0.000 2.549 632 S HA 0.255 4.726 4.470 0.001 0.000 0.283 632 S C 0.413 175.237 174.600 0.374 0.000 1.320 632 S CA 0.153 58.500 58.200 0.246 0.000 1.058 632 S CB -0.484 62.767 63.200 0.085 0.000 0.882 632 S HN 0.323 nan 8.310 nan 0.000 0.498 633 M N 3.160 122.997 119.600 0.395 0.000 2.393 633 M HA 0.498 4.978 4.480 0.001 0.000 0.299 633 M C -1.442 174.831 176.300 -0.046 0.000 1.103 633 M CA -0.724 54.704 55.300 0.214 0.000 0.910 633 M CB 1.967 34.634 32.600 0.111 0.000 1.659 633 M HN 0.435 nan 8.290 nan 0.000 0.445 634 L N 4.500 125.539 121.223 -0.308 0.000 2.406 634 L HA 0.642 4.982 4.340 0.001 0.000 0.272 634 L C -1.822 174.888 176.870 -0.267 0.000 0.980 634 L CA -0.262 54.216 54.840 -0.603 0.000 0.831 634 L CB 1.474 42.783 42.059 -1.250 0.000 1.253 634 L HN 0.673 nan 8.230 nan 0.000 0.406 635 L N 6.056 127.177 121.223 -0.170 0.000 2.295 635 L HA 0.535 4.875 4.340 0.001 0.000 0.285 635 L C -0.786 176.050 176.870 -0.056 0.000 1.035 635 L CA -0.619 54.186 54.840 -0.059 0.000 0.806 635 L CB 1.466 43.535 42.059 0.017 0.000 1.214 635 L HN 0.527 nan 8.230 nan 0.000 0.426 636 L N 2.913 124.113 121.223 -0.037 0.000 2.333 636 L HA 0.659 5.000 4.340 0.001 0.000 0.280 636 L C -0.103 176.760 176.870 -0.012 0.000 1.004 636 L CA -0.085 54.737 54.840 -0.030 0.000 0.820 636 L CB 2.057 44.089 42.059 -0.046 0.000 1.247 636 L HN 0.618 nan 8.230 nan 0.000 0.416 637 T N 1.716 116.265 114.554 -0.008 0.000 2.754 637 T HA 0.886 5.236 4.350 0.001 0.000 0.296 637 T C -1.776 172.925 174.700 0.002 0.000 1.205 637 T CA -0.238 61.873 62.100 0.018 0.000 1.009 637 T CB 2.102 71.001 68.868 0.053 0.000 1.368 637 T HN 0.705 nan 8.240 nan 0.000 0.509 638 A N 0.845 123.688 122.820 0.038 0.000 2.539 638 A HA 0.615 4.936 4.320 0.001 0.000 0.296 638 A C 0.240 177.875 177.584 0.084 0.000 1.073 638 A CA -0.159 51.905 52.037 0.045 0.000 0.700 638 A CB 1.391 20.420 19.000 0.049 0.000 1.296 638 A HN 0.876 nan 8.150 nan 0.000 0.405 639 D N -0.361 120.101 120.400 0.103 0.000 2.371 639 D HA -0.084 4.556 4.640 0.001 0.000 0.221 639 D C 0.467 176.768 176.300 0.001 0.000 0.986 639 D CA 1.564 55.604 54.000 0.066 0.000 0.899 639 D CB -0.253 40.579 40.800 0.054 0.000 0.902 639 D HN 0.609 nan 8.370 nan 0.000 0.530 640 H N -0.753 118.350 119.070 0.055 0.000 2.512 640 H HA 0.211 4.767 4.556 0.001 0.000 0.276 640 H C -0.562 174.816 175.328 0.083 0.000 1.126 640 H CA -0.609 55.482 56.048 0.071 0.000 1.060 640 H CB 0.211 30.015 29.762 0.070 0.000 1.646 640 H HN -0.025 nan 8.280 nan 0.000 0.571 641 D N 1.683 122.183 120.400 0.167 0.000 2.455 641 D HA -0.045 4.595 4.640 0.001 0.000 0.234 641 D C 0.341 176.717 176.300 0.127 0.000 1.224 641 D CA -0.059 54.042 54.000 0.169 0.000 0.999 641 D CB 0.214 41.131 40.800 0.195 0.000 1.072 641 D HN 0.424 nan 8.370 nan 0.000 0.514 642 D N 1.962 122.426 120.400 0.107 0.000 2.340 642 D HA -0.071 4.570 4.640 0.001 0.000 0.220 642 D C 1.573 177.910 176.300 0.062 0.000 1.039 642 D CA -0.048 53.993 54.000 0.070 0.000 0.866 642 D CB 0.209 41.033 40.800 0.039 0.000 0.913 642 D HN 0.189 nan 8.370 nan 0.000 0.523 643 R N 0.599 121.115 120.500 0.028 0.000 2.052 643 R HA 0.145 4.485 4.340 0.001 0.000 0.224 643 R C 0.041 176.412 176.300 0.118 0.000 1.149 643 R CA 0.889 56.969 56.100 -0.034 0.000 0.962 643 R CB -0.165 29.858 30.300 -0.462 0.000 0.856 643 R HN 0.033 nan 8.270 nan 0.000 0.433 644 V N 3.348 123.283 119.914 0.036 0.000 2.284 644 V HA 0.258 4.378 4.120 0.001 0.000 0.274 644 V C -0.520 175.735 176.094 0.268 0.000 1.023 644 V CA -1.054 61.398 62.300 0.252 0.000 0.808 644 V CB 1.125 33.019 31.823 0.118 0.000 1.035 644 V HN 0.253 nan 8.190 nan 0.000 0.445 645 V N 4.696 124.788 119.914 0.296 0.000 2.644 645 V HA 0.106 4.227 4.120 0.001 0.000 0.305 645 V C -0.521 175.656 176.094 0.138 0.000 1.053 645 V CA -0.496 61.886 62.300 0.137 0.000 1.186 645 V CB 0.153 31.948 31.823 -0.048 0.000 0.895 645 V HN 0.661 nan 8.190 nan 0.000 0.490 646 P HA -0.189 nan 4.420 nan 0.000 0.221 646 P C 1.534 178.832 177.300 -0.004 0.000 1.145 646 P CA 1.597 64.730 63.100 0.054 0.000 0.795 646 P CB -0.013 31.709 31.700 0.037 0.000 0.775 647 L N -2.628 118.522 121.223 -0.123 0.000 2.129 647 L HA -0.165 4.176 4.340 0.001 0.000 0.212 647 L C 2.527 179.289 176.870 -0.180 0.000 1.087 647 L CA 1.891 56.593 54.840 -0.230 0.000 0.757 647 L CB -2.373 39.449 42.059 -0.394 0.000 0.896 647 L HN -0.043 nan 8.230 nan 0.000 0.434 648 H N 0.385 119.421 119.070 -0.057 0.000 2.290 648 H HA -0.104 4.452 4.556 0.001 0.000 0.298 648 H C 2.406 177.745 175.328 0.018 0.000 1.087 648 H CA 2.000 58.044 56.048 -0.005 0.000 1.291 648 H CB -0.188 29.595 29.762 0.035 0.000 1.369 648 H HN 0.495 nan 8.280 nan 0.000 0.492 649 S N 0.472 116.274 115.700 0.169 0.000 2.406 649 S HA -0.026 4.445 4.470 0.001 0.000 0.228 649 S C 2.507 177.175 174.600 0.113 0.000 1.020 649 S CA 0.335 58.631 58.200 0.160 0.000 0.965 649 S CB -0.077 63.197 63.200 0.122 0.000 0.798 649 S HN 0.221 nan 8.310 nan 0.000 0.488 650 L N 1.145 122.385 121.223 0.029 0.000 2.017 650 L HA -0.129 4.212 4.340 0.001 0.000 0.208 650 L C 2.369 179.108 176.870 -0.219 0.000 1.073 650 L CA 1.351 56.162 54.840 -0.048 0.000 0.745 650 L CB -0.558 41.369 42.059 -0.220 0.000 0.894 650 L HN 0.235 nan 8.230 nan 0.000 0.432 651 K N -0.629 119.637 120.400 -0.222 0.000 2.097 651 K HA -0.174 4.146 4.320 0.001 0.000 0.205 651 K C 2.083 178.645 176.600 -0.063 0.000 1.050 651 K CA 1.263 57.419 56.287 -0.218 0.000 0.938 651 K CB -0.263 32.156 32.500 -0.136 0.000 0.718 651 K HN 0.047 nan 8.250 nan 0.000 0.442 652 F N 1.709 121.579 119.950 -0.133 0.000 2.102 652 F HA -0.162 4.366 4.527 0.001 0.000 0.298 652 F C 2.017 177.749 175.800 -0.113 0.000 1.105 652 F CA 0.840 58.781 58.000 -0.098 0.000 1.239 652 F CB -0.368 38.601 39.000 -0.052 0.000 0.991 652 F HN -0.129 nan 8.300 nan 0.000 0.474 653 I N 0.501 120.986 120.570 -0.142 0.000 2.286 653 I HA -0.152 4.018 4.170 0.001 0.000 0.248 653 I C 2.404 178.353 176.117 -0.281 0.000 1.115 653 I CA 1.503 62.645 61.300 -0.263 0.000 1.392 653 I CB -1.004 36.927 38.000 -0.116 0.000 1.065 653 I HN 0.151 nan 8.210 nan 0.000 0.418 654 A N -0.904 121.756 122.820 -0.267 0.000 1.902 654 A HA -0.215 4.105 4.320 0.001 0.000 0.217 654 A C 2.349 179.635 177.584 -0.497 0.000 1.181 654 A CA 2.467 54.196 52.037 -0.514 0.000 0.623 654 A CB -1.322 16.962 19.000 -1.194 0.000 0.818 654 A HN 0.449 nan 8.150 nan 0.000 0.443 655 T N 0.392 114.747 114.554 -0.331 0.000 2.777 655 T HA -0.050 4.300 4.350 0.001 0.000 0.266 655 T C 1.831 176.443 174.700 -0.145 0.000 1.040 655 T CA 1.378 63.460 62.100 -0.029 0.000 1.141 655 T CB -0.368 68.535 68.868 0.058 0.000 0.868 655 T HN 0.349 nan 8.240 nan 0.000 0.444 656 L N 0.746 121.746 121.223 -0.371 0.000 2.017 656 L HA -0.165 4.176 4.340 0.001 0.000 0.208 656 L C 2.925 179.565 176.870 -0.384 0.000 1.073 656 L CA 1.483 56.050 54.840 -0.455 0.000 0.745 656 L CB -0.560 41.136 42.059 -0.604 0.000 0.894 656 L HN 0.303 nan 8.230 nan 0.000 0.432 657 Q N -1.523 118.031 119.800 -0.409 0.000 2.170 657 Q HA -0.240 4.100 4.340 0.001 0.000 0.203 657 Q C 1.991 177.863 176.000 -0.213 0.000 0.976 657 Q CA 1.739 57.236 55.803 -0.510 0.000 0.858 657 Q CB -0.146 28.180 28.738 -0.686 0.000 0.907 657 Q HN 0.477 nan 8.270 nan 0.000 0.433 658 Y N 0.682 120.875 120.300 -0.178 0.000 2.176 658 Y HA -0.150 4.400 4.550 0.001 0.000 0.291 658 Y C 1.910 177.780 175.900 -0.050 0.000 1.122 658 Y CA 0.991 59.066 58.100 -0.042 0.000 1.128 658 Y CB 0.039 38.551 38.460 0.087 0.000 1.005 658 Y HN -0.023 nan 8.280 nan 0.000 0.509 659 I N -0.744 119.781 120.570 -0.074 0.000 2.202 659 I HA -0.191 3.979 4.170 0.001 0.000 0.242 659 I C 2.137 178.117 176.117 -0.229 0.000 1.091 659 I CA 1.291 62.495 61.300 -0.161 0.000 1.368 659 I CB -1.263 36.709 38.000 -0.047 0.000 1.058 659 I HN 0.184 nan 8.210 nan 0.000 0.410 660 V N 0.365 120.114 119.914 -0.275 0.000 2.672 660 V HA 0.149 4.269 4.120 0.001 0.000 0.242 660 V C 2.568 178.552 176.094 -0.183 0.000 1.059 660 V CA 1.225 63.347 62.300 -0.297 0.000 1.081 660 V CB -0.883 30.594 31.823 -0.577 0.000 0.752 660 V HN 0.402 nan 8.190 nan 0.000 0.472 661 G N 0.420 109.110 108.800 -0.184 0.000 2.450 661 G HA2 -0.246 3.714 3.960 0.001 0.000 0.220 661 G HA3 -0.246 3.714 3.960 0.001 0.000 0.220 661 G C 1.701 176.639 174.900 0.064 0.000 1.130 661 G CA 0.683 45.769 45.100 -0.023 0.000 0.760 661 G HN 0.417 nan 8.290 nan 0.000 0.557 662 R N 0.766 121.238 120.500 -0.046 0.000 2.189 662 R HA 0.035 4.376 4.340 0.001 0.000 0.218 662 R C 1.503 177.772 176.300 -0.052 0.000 1.074 662 R CA 0.615 56.685 56.100 -0.049 0.000 0.991 662 R CB -0.171 30.026 30.300 -0.172 0.000 0.883 662 R HN 0.458 nan 8.270 nan 0.000 0.457 663 S N 0.497 116.159 115.700 -0.063 0.000 2.562 663 S HA 0.069 4.539 4.470 0.001 0.000 0.281 663 S C 0.915 175.503 174.600 -0.020 0.000 1.333 663 S CA -0.635 57.538 58.200 -0.045 0.000 1.052 663 S CB 1.779 64.952 63.200 -0.045 0.000 0.884 663 S HN 0.058 nan 8.310 nan 0.000 0.506 664 R N 2.618 123.108 120.500 -0.018 0.000 2.120 664 R HA -0.103 4.237 4.340 0.001 0.000 0.234 664 R C 2.140 178.436 176.300 -0.006 0.000 1.123 664 R CA 2.160 58.252 56.100 -0.013 0.000 0.975 664 R CB -0.578 29.714 30.300 -0.012 0.000 0.866 664 R HN 0.931 nan 8.270 nan 0.000 0.446 665 K N -0.624 119.777 120.400 0.002 0.000 2.432 665 K HA -0.073 4.247 4.320 0.001 0.000 0.196 665 K C 0.366 176.980 176.600 0.023 0.000 1.038 665 K CA 0.431 56.726 56.287 0.012 0.000 0.986 665 K CB 0.026 32.538 32.500 0.020 0.000 0.782 665 K HN -0.072 nan 8.250 nan 0.000 0.485 666 Q N 1.929 121.742 119.800 0.021 0.000 2.369 666 Q HA 0.109 4.449 4.340 0.001 0.000 0.247 666 Q C -0.442 175.576 176.000 0.030 0.000 1.083 666 Q CA 0.045 55.871 55.803 0.039 0.000 0.905 666 Q CB 0.675 29.432 28.738 0.033 0.000 1.305 666 Q HN 0.224 nan 8.270 nan 0.000 0.465 667 N N 2.551 121.271 118.700 0.032 0.000 2.250 667 N HA 0.073 4.814 4.740 0.001 0.000 0.190 667 N C -0.716 174.813 175.510 0.031 0.000 1.116 667 N CA 0.014 53.069 53.050 0.009 0.000 0.881 667 N CB 0.442 38.931 38.487 0.004 0.000 1.006 667 N HN 0.411 nan 8.380 nan 0.000 0.491 668 N N 2.737 121.479 118.700 0.070 0.000 2.514 668 N HA 0.202 4.942 4.740 0.001 0.000 0.277 668 N C -2.377 173.211 175.510 0.130 0.000 1.126 668 N CA -1.018 52.088 53.050 0.094 0.000 0.978 668 N CB 0.891 39.448 38.487 0.117 0.000 1.106 668 N HN 0.142 nan 8.380 nan 0.000 0.461 669 P HA 0.191 nan 4.420 nan 0.000 0.274 669 P C -0.778 176.672 177.300 0.249 0.000 1.231 669 P CA -0.141 63.091 63.100 0.219 0.000 0.790 669 P CB 0.971 32.664 31.700 -0.013 0.000 0.951 670 L N 3.046 124.421 121.223 0.253 0.000 2.427 670 L HA 0.472 4.813 4.340 0.001 0.000 0.264 670 L C -0.021 176.823 176.870 -0.043 0.000 0.989 670 L CA -0.313 54.548 54.840 0.036 0.000 0.865 670 L CB 0.881 42.860 42.059 -0.133 0.000 1.209 670 L HN 0.233 nan 8.230 nan 0.000 0.430 671 L N 3.343 124.500 121.223 -0.110 0.000 2.309 671 L HA 0.684 5.025 4.340 0.001 0.000 0.261 671 L C -0.816 175.931 176.870 -0.204 0.000 1.021 671 L CA -0.786 53.941 54.840 -0.188 0.000 0.823 671 L CB 3.127 45.030 42.059 -0.259 0.000 1.366 671 L HN 0.435 nan 8.230 nan 0.000 0.423 672 I N -0.328 120.141 120.570 -0.169 0.000 2.730 672 I HA 0.476 4.647 4.170 0.001 0.000 0.298 672 I C -1.645 174.459 176.117 -0.022 0.000 1.089 672 I CA -0.397 60.846 61.300 -0.094 0.000 1.041 672 I CB 2.246 40.217 38.000 -0.048 0.000 1.235 672 I HN 0.601 nan 8.210 nan 0.000 0.423 673 H N 6.051 125.058 119.070 -0.106 0.000 2.727 673 H HA 0.534 5.091 4.556 0.001 0.000 0.330 673 H C -1.694 173.613 175.328 -0.036 0.000 0.986 673 H CA -0.553 55.450 56.048 -0.075 0.000 1.251 673 H CB 1.733 31.450 29.762 -0.075 0.000 1.493 673 H HN 0.237 nan 8.280 nan 0.000 0.515 674 V N 5.548 125.488 119.914 0.042 0.000 2.328 674 V HA 0.155 4.276 4.120 0.001 0.000 0.278 674 V C 0.378 176.383 176.094 -0.148 0.000 1.021 674 V CA -0.814 61.461 62.300 -0.041 0.000 0.838 674 V CB 1.115 32.962 31.823 0.040 0.000 0.999 674 V HN 0.732 nan 8.190 nan 0.000 0.447 675 D N 3.403 123.690 120.400 -0.188 0.000 2.354 675 D HA 0.494 5.135 4.640 0.001 0.000 0.247 675 D C 0.377 176.659 176.300 -0.030 0.000 1.138 675 D CA 0.059 53.957 54.000 -0.170 0.000 0.958 675 D CB 1.637 42.337 40.800 -0.167 0.000 1.144 675 D HN 0.679 nan 8.370 nan 0.000 0.458 676 T N -1.360 113.189 114.554 -0.008 0.000 2.945 676 T HA 0.396 4.747 4.350 0.001 0.000 0.286 676 T C 0.069 174.786 174.700 0.028 0.000 1.025 676 T CA -0.899 61.234 62.100 0.054 0.000 1.039 676 T CB 1.107 70.005 68.868 0.051 0.000 1.068 676 T HN 0.499 nan 8.240 nan 0.000 0.497 677 K N -0.508 119.905 120.400 0.021 0.000 3.016 677 K HA -0.112 4.208 4.320 0.001 0.000 0.262 677 K C 0.021 176.551 176.600 -0.117 0.000 1.043 677 K CA 0.657 56.849 56.287 -0.159 0.000 0.761 677 K CB -2.066 30.370 32.500 -0.106 0.000 1.230 677 K HN 1.005 nan 8.250 nan 0.000 0.485 678 A N -0.789 122.017 122.820 -0.022 0.000 2.566 678 A HA 0.856 5.176 4.320 0.001 0.000 0.292 678 A C 0.301 177.941 177.584 0.094 0.000 1.112 678 A CA -0.071 51.974 52.037 0.013 0.000 0.707 678 A CB 2.019 21.021 19.000 0.003 0.000 1.302 678 A HN 0.231 nan 8.150 nan 0.000 0.409 679 G N -1.241 107.615 108.800 0.093 0.000 3.291 679 G HA2 0.396 4.356 3.960 0.001 0.000 0.173 679 G HA3 0.396 4.356 3.960 0.001 0.000 0.173 679 G C 0.521 175.513 174.900 0.154 0.000 1.099 679 G CA 0.460 45.650 45.100 0.149 0.000 0.794 679 G HN 0.843 nan 8.290 nan 0.000 0.651 680 H N -0.499 118.607 119.070 0.060 0.000 2.456 680 H HA 0.155 4.712 4.556 0.001 0.000 0.296 680 H C 1.904 177.248 175.328 0.026 0.000 1.079 680 H CA 2.642 58.717 56.048 0.044 0.000 1.322 680 H CB 0.268 30.060 29.762 0.051 0.000 1.388 680 H HN 0.807 nan 8.280 nan 0.000 0.538 681 G N -1.897 106.925 108.800 0.037 0.000 3.505 681 G HA2 -0.080 3.880 3.960 0.001 0.000 0.210 681 G HA3 -0.080 3.880 3.960 0.001 0.000 0.210 681 G C 0.303 175.209 174.900 0.010 0.000 1.047 681 G CA -0.115 44.970 45.100 -0.026 0.000 0.884 681 G HN 0.592 nan 8.290 nan 0.000 0.434 682 A N 0.766 123.612 122.820 0.043 0.000 2.546 682 A HA 0.555 4.875 4.320 0.001 0.000 0.243 682 A C 1.957 179.564 177.584 0.038 0.000 1.063 682 A CA 1.940 54.002 52.037 0.042 0.000 0.757 682 A CB -0.350 18.687 19.000 0.063 0.000 0.991 682 A HN 2.446 nan 8.150 nan 0.000 0.503 683 G N 1.266 110.082 108.800 0.026 0.000 2.184 683 G HA2 -0.292 3.669 3.960 0.001 0.000 0.264 683 G HA3 -0.292 3.669 3.960 0.001 0.000 0.264 683 G C 0.405 175.317 174.900 0.019 0.000 0.975 683 G CA 0.749 45.865 45.100 0.026 0.000 0.642 683 G HN 1.090 nan 8.290 nan 0.000 0.536 684 K N 1.963 122.371 120.400 0.013 0.000 2.451 684 K HA 0.294 4.614 4.320 0.001 0.000 0.280 684 K C -1.520 175.082 176.600 0.004 0.000 1.020 684 K CA -0.922 55.368 56.287 0.003 0.000 1.008 684 K CB 0.633 33.129 32.500 -0.006 0.000 0.917 684 K HN 0.178 nan 8.250 nan 0.000 0.478 685 P HA -0.017 nan 4.420 nan 0.000 0.272 685 P C 0.161 177.465 177.300 0.006 0.000 1.223 685 P CA -0.180 62.924 63.100 0.007 0.000 0.784 685 P CB 0.838 32.540 31.700 0.003 0.000 0.923 686 T N 1.956 116.524 114.554 0.024 0.000 2.685 686 T HA -0.239 4.112 4.350 0.001 0.000 0.268 686 T C 1.876 176.580 174.700 0.006 0.000 1.034 686 T CA 2.396 64.515 62.100 0.032 0.000 1.149 686 T CB -0.738 68.191 68.868 0.101 0.000 0.860 686 T HN 0.564 nan 8.240 nan 0.000 0.449 687 A N 1.493 124.321 122.820 0.014 0.000 1.908 687 A HA -0.155 4.165 4.320 0.001 0.000 0.218 687 A C 2.288 179.875 177.584 0.004 0.000 1.181 687 A CA 1.672 53.716 52.037 0.012 0.000 0.627 687 A CB -0.416 18.591 19.000 0.013 0.000 0.818 687 A HN 0.478 nan 8.150 nan 0.000 0.445 688 K N -0.607 119.790 120.400 -0.005 0.000 2.103 688 K HA 0.006 4.327 4.320 0.001 0.000 0.204 688 K C 1.876 178.465 176.600 -0.018 0.000 1.052 688 K CA 1.094 57.374 56.287 -0.011 0.000 0.945 688 K CB -0.270 32.220 32.500 -0.017 0.000 0.722 688 K HN 0.301 nan 8.250 nan 0.000 0.443 689 V N 2.044 121.938 119.914 -0.034 0.000 2.287 689 V HA -0.269 3.851 4.120 0.001 0.000 0.248 689 V C 2.173 178.236 176.094 -0.050 0.000 1.053 689 V CA 1.705 63.968 62.300 -0.061 0.000 1.027 689 V CB -0.379 31.371 31.823 -0.122 0.000 0.646 689 V HN 0.279 nan 8.190 nan 0.000 0.447 690 I N -0.394 120.147 120.570 -0.048 0.000 2.226 690 I HA -0.176 3.994 4.170 0.001 0.000 0.245 690 I C 2.619 178.774 176.117 0.062 0.000 1.100 690 I CA 1.243 62.546 61.300 0.005 0.000 1.374 690 I CB -0.444 37.563 38.000 0.011 0.000 1.057 690 I HN 0.315 nan 8.210 nan 0.000 0.413 691 E N 0.615 120.840 120.200 0.043 0.000 2.110 691 E HA -0.261 4.089 4.350 0.001 0.000 0.193 691 E C 1.921 178.556 176.600 0.058 0.000 0.988 691 E CA 1.120 57.555 56.400 0.057 0.000 0.804 691 E CB -0.249 29.478 29.700 0.044 0.000 0.745 691 E HN 0.568 nan 8.360 nan 0.000 0.458 692 E N 0.799 121.018 120.200 0.033 0.000 2.031 692 E HA -0.153 4.197 4.350 0.001 0.000 0.193 692 E C 2.196 178.812 176.600 0.028 0.000 0.994 692 E CA 1.855 58.267 56.400 0.020 0.000 0.800 692 E CB 0.107 29.803 29.700 -0.006 0.000 0.752 692 E HN 0.152 nan 8.360 nan 0.000 0.447 693 V N -1.130 118.824 119.914 0.068 0.000 2.626 693 V HA -0.143 3.978 4.120 0.001 0.000 0.252 693 V C 2.165 178.288 176.094 0.049 0.000 1.067 693 V CA 1.837 64.215 62.300 0.130 0.000 1.081 693 V CB -0.399 31.594 31.823 0.282 0.000 0.686 693 V HN 0.107 nan 8.190 nan 0.000 0.468 694 S N 0.634 116.387 115.700 0.089 0.000 2.383 694 S HA -0.157 4.313 4.470 0.001 0.000 0.227 694 S C 1.703 176.289 174.600 -0.022 0.000 1.026 694 S CA 1.605 59.829 58.200 0.040 0.000 0.981 694 S CB -0.492 62.811 63.200 0.171 0.000 0.818 694 S HN 0.689 nan 8.310 nan 0.000 0.472 695 D N 1.447 121.860 120.400 0.021 0.000 2.097 695 D HA -0.037 4.604 4.640 0.001 0.000 0.195 695 D C 1.914 178.220 176.300 0.010 0.000 0.989 695 D CA 1.027 55.053 54.000 0.044 0.000 0.827 695 D CB -0.297 40.552 40.800 0.082 0.000 0.966 695 D HN 0.354 nan 8.370 nan 0.000 0.456 696 M N -0.466 119.076 119.600 -0.096 0.000 2.065 696 M HA -0.158 4.322 4.480 0.001 0.000 0.259 696 M C 2.021 178.127 176.300 -0.324 0.000 1.069 696 M CA 1.425 56.582 55.300 -0.239 0.000 1.110 696 M CB -0.359 31.978 32.600 -0.437 0.000 1.328 696 M HN -0.041 nan 8.290 nan 0.000 0.405 697 F N -0.124 119.714 119.950 -0.186 0.000 2.407 697 F HA 0.020 4.548 4.527 0.001 0.000 0.299 697 F C 2.498 178.287 175.800 -0.019 0.000 1.097 697 F CA 0.931 58.823 58.000 -0.180 0.000 1.422 697 F CB -0.846 37.817 39.000 -0.562 0.000 1.067 697 F HN 0.104 nan 8.300 nan 0.000 0.539 698 A N -0.418 122.449 122.820 0.079 0.000 1.929 698 A HA -0.154 4.166 4.320 0.001 0.000 0.216 698 A C 2.041 179.725 177.584 0.167 0.000 1.176 698 A CA 0.964 53.069 52.037 0.113 0.000 0.628 698 A CB -1.172 17.871 19.000 0.072 0.000 0.816 698 A HN 0.354 nan 8.150 nan 0.000 0.444 699 F N 0.794 120.783 119.950 0.064 0.000 2.102 699 F HA -0.132 4.395 4.527 0.001 0.000 0.298 699 F C 1.950 177.847 175.800 0.162 0.000 1.105 699 F CA 1.588 59.678 58.000 0.149 0.000 1.239 699 F CB -0.237 38.831 39.000 0.114 0.000 0.991 699 F HN 0.174 nan 8.300 nan 0.000 0.474 700 I N 0.082 120.761 120.570 0.181 0.000 2.179 700 I HA -0.332 3.838 4.170 0.001 0.000 0.242 700 I C 2.685 178.890 176.117 0.147 0.000 1.088 700 I CA 1.302 62.692 61.300 0.150 0.000 1.357 700 I CB -0.984 37.167 38.000 0.251 0.000 1.051 700 I HN 0.223 nan 8.210 nan 0.000 0.409 701 A N 0.685 123.625 122.820 0.200 0.000 1.902 701 A HA -0.255 4.066 4.320 0.001 0.000 0.217 701 A C 2.431 180.065 177.584 0.082 0.000 1.181 701 A CA 1.945 54.095 52.037 0.189 0.000 0.623 701 A CB -0.645 18.495 19.000 0.234 0.000 0.818 701 A HN 0.365 nan 8.150 nan 0.000 0.443 702 R N -0.846 119.658 120.500 0.008 0.000 2.066 702 R HA -0.124 4.216 4.340 0.001 0.000 0.232 702 R C 2.131 178.405 176.300 -0.043 0.000 1.131 702 R CA 1.911 57.969 56.100 -0.069 0.000 0.955 702 R CB -0.656 29.504 30.300 -0.233 0.000 0.851 702 R HN 0.545 nan 8.270 nan 0.000 0.432 703 C N 0.351 119.596 119.300 -0.092 0.000 2.440 703 C HA 0.020 4.480 4.460 0.001 0.000 0.278 703 C C 2.179 177.166 174.990 -0.005 0.000 1.295 703 C CA 0.430 59.399 59.018 -0.082 0.000 1.738 703 C CB -0.621 26.940 27.740 -0.299 0.000 1.987 703 C HN 0.502 nan 8.230 nan 0.000 0.492 704 L N 0.528 121.768 121.223 0.028 0.000 2.607 704 L HA 0.159 4.499 4.340 0.001 0.000 0.228 704 L C 0.538 177.451 176.870 0.072 0.000 1.123 704 L CA 0.171 55.053 54.840 0.070 0.000 0.890 704 L CB -0.603 41.528 42.059 0.121 0.000 1.103 704 L HN 0.329 nan 8.230 nan 0.000 0.468 705 N N 1.662 120.398 118.700 0.059 0.000 2.727 705 N HA -0.198 4.542 4.740 0.001 0.000 0.251 705 N C -0.596 174.962 175.510 0.081 0.000 1.040 705 N CA 0.494 53.578 53.050 0.057 0.000 0.712 705 N CB -1.181 37.331 38.487 0.043 0.000 0.912 705 N HN 0.317 nan 8.380 nan 0.000 0.545 706 I N 0.506 121.146 120.570 0.115 0.000 2.331 706 I HA 0.204 4.375 4.170 0.001 0.000 0.292 706 I C 0.406 176.618 176.117 0.158 0.000 0.998 706 I CA -0.763 60.620 61.300 0.139 0.000 1.267 706 I CB 0.962 39.078 38.000 0.192 0.000 1.386 706 I HN 0.043 nan 8.210 nan 0.000 0.476 707 D N 5.566 126.048 120.400 0.138 0.000 2.304 707 D HA 0.068 4.708 4.640 0.001 0.000 0.247 707 D C -0.538 175.903 176.300 0.236 0.000 1.089 707 D CA -0.206 53.895 54.000 0.169 0.000 0.910 707 D CB 1.241 42.112 40.800 0.118 0.000 1.199 707 D HN 0.401 nan 8.370 nan 0.000 0.426 708 W N 3.416 124.762 121.300 0.078 0.000 2.216 708 W HA 0.276 4.936 4.660 0.001 0.000 0.326 708 W C -0.906 175.667 176.519 0.090 0.000 1.319 708 W CA -0.397 57.006 57.345 0.097 0.000 1.213 708 W CB 0.453 29.965 29.460 0.086 0.000 1.171 708 W HN 0.267 nan 8.180 nan 0.000 0.557 709 I N 8.988 129.324 120.570 -0.388 0.000 2.371 709 I HA 0.155 4.326 4.170 0.001 0.000 0.282 709 I C -1.828 174.047 176.117 -0.403 0.000 1.031 709 I CA -2.110 59.020 61.300 -0.283 0.000 1.180 709 I CB 0.987 38.842 38.000 -0.242 0.000 1.336 709 I HN 0.086 nan 8.210 nan 0.000 0.467 710 P HA 0.000 nan 4.420 nan 0.000 0.216 710 P CA 0.000 63.157 63.100 0.094 0.000 0.800 710 P CB 0.000 31.812 31.700 0.187 0.000 0.726