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 3d2m_1_A DATA FIRST_RESID 5 DATA SEQUENCE DSFVAHFREA APYIRQMRGT TLVAGIDGRL LEGGTLNKLA ADIGLLSQLG DATA SEQUENCE IRLVLIHGAY HFLDRLAAAQ GRTPHYCRGL RVTDETSLGQ AQQFAGTVRS DATA SEQUENCE RFEAALCGSX XXXXXXXSVP LVSGNFLTAR PIGVIDGTDM EYAGVIRKTD DATA SEQUENCE TAALRFQLDA GNIVWMPPLG HSYGGKTFNL DMVQAAASVA VSLQAEKLVY DATA SEQUENCE LTLSDGISRP DGTLAETLSA QEAQSLAEHA ASETRRLISS AVAALEGGVH DATA SEQUENCE RVQILNGAAD GSLLQELFTR NGIGTSIAKE AFVSIRQAHS GDIPHIAALI DATA SEQUENCE RPLEEQGILL HRSREYLENH ISEFSILEHD GNLYGCAALK TFAEADCGEI DATA SEQUENCE ACLAVSPQAQ DGGYGERLLA HIIDKARGIG ISRLFALSTN TGEWFAERGF DATA SEQUENCE QTASEDELPE TRRKDYRSNG RNSHILVRRL HR 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.121 176.300 -0.299 0.000 2.045 5 D CA 0.000 53.885 54.000 -0.191 0.000 0.868 5 D CB 0.000 40.611 40.800 -0.315 0.000 0.688 6 S N 0.001 115.525 115.700 -0.294 0.000 2.586 6 S HA 0.294 4.765 4.470 0.001 0.000 0.274 6 S C 1.340 175.846 174.600 -0.156 0.000 1.281 6 S CA -0.531 57.587 58.200 -0.138 0.000 1.035 6 S CB 0.691 63.866 63.200 -0.042 0.000 0.962 6 S HN 0.447 nan 8.310 nan 0.000 0.512 7 F N 3.190 123.093 119.950 -0.078 0.000 2.085 7 F HA -0.187 4.341 4.527 0.001 0.000 0.299 7 F C 1.985 177.827 175.800 0.070 0.000 1.096 7 F CA 2.258 60.266 58.000 0.014 0.000 1.227 7 F CB -0.778 38.223 39.000 0.001 0.000 0.983 7 F HN 0.459 nan 8.300 nan 0.000 0.482 8 V N 0.231 120.154 119.914 0.014 0.000 2.343 8 V HA -0.292 3.829 4.120 0.001 0.000 0.247 8 V C 2.704 178.762 176.094 -0.061 0.000 1.051 8 V CA 1.787 64.069 62.300 -0.029 0.000 1.036 8 V CB -1.412 30.461 31.823 0.083 0.000 0.654 8 V HN 0.534 nan 8.190 nan 0.000 0.451 9 A N -1.024 121.751 122.820 -0.074 0.000 1.877 9 A HA -0.267 4.054 4.320 0.001 0.000 0.216 9 A C 1.991 179.569 177.584 -0.010 0.000 1.186 9 A CA 2.107 54.100 52.037 -0.072 0.000 0.620 9 A CB -0.910 18.011 19.000 -0.131 0.000 0.822 9 A HN 0.718 nan 8.150 nan 0.000 0.443 10 H N -2.495 116.562 119.070 -0.023 0.000 2.319 10 H HA -0.102 4.454 4.556 0.001 0.000 0.299 10 H C 1.959 177.301 175.328 0.024 0.000 1.092 10 H CA 1.570 57.609 56.048 -0.014 0.000 1.302 10 H CB -0.192 29.543 29.762 -0.044 0.000 1.373 10 H HN 0.582 nan 8.280 nan 0.000 0.497 11 F N 1.155 120.992 119.950 -0.188 0.000 2.186 11 F HA -0.141 4.386 4.527 0.001 0.000 0.299 11 F C 2.337 178.053 175.800 -0.140 0.000 1.090 11 F CA 0.542 58.380 58.000 -0.270 0.000 1.307 11 F CB 0.137 38.790 39.000 -0.577 0.000 1.019 11 F HN 0.039 nan 8.300 nan 0.000 0.489 12 R N 0.060 120.555 120.500 -0.007 0.000 2.148 12 R HA -0.160 4.181 4.340 0.001 0.000 0.227 12 R C 2.035 178.342 176.300 0.012 0.000 1.103 12 R CA 1.014 57.081 56.100 -0.055 0.000 0.983 12 R CB -0.407 29.867 30.300 -0.043 0.000 0.874 12 R HN 0.387 nan 8.270 nan 0.000 0.451 13 E N 0.921 121.173 120.200 0.086 0.000 2.051 13 E HA -0.166 4.185 4.350 0.001 0.000 0.192 13 E C 1.897 178.654 176.600 0.262 0.000 0.991 13 E CA 1.260 57.758 56.400 0.162 0.000 0.799 13 E CB 0.009 29.820 29.700 0.184 0.000 0.748 13 E HN 0.318 nan 8.360 nan 0.000 0.449 14 A N 1.155 124.120 122.820 0.241 0.000 2.019 14 A HA -0.088 4.233 4.320 0.001 0.000 0.219 14 A C 2.335 180.060 177.584 0.236 0.000 1.164 14 A CA 1.640 53.865 52.037 0.314 0.000 0.644 14 A CB -0.525 18.592 19.000 0.194 0.000 0.805 14 A HN 0.368 nan 8.150 nan 0.000 0.449 15 A N 0.805 123.645 122.820 0.034 0.000 1.892 15 A HA -0.121 4.200 4.320 0.001 0.000 0.218 15 A C 0.471 178.016 177.584 -0.065 0.000 1.188 15 A CA 1.878 53.863 52.037 -0.087 0.000 0.631 15 A CB -1.646 17.254 19.000 -0.167 0.000 0.822 15 A HN 0.520 nan 8.150 nan 0.000 0.447 16 P HA -0.162 nan 4.420 nan 0.000 0.218 16 P C 0.887 178.021 177.300 -0.276 0.000 1.149 16 P CA 1.305 64.253 63.100 -0.254 0.000 0.817 16 P CB -0.290 31.167 31.700 -0.405 0.000 0.785 17 Y N -0.401 119.970 120.300 0.118 0.000 2.337 17 Y HA -0.003 4.548 4.550 0.001 0.000 0.293 17 Y C 2.657 178.735 175.900 0.298 0.000 1.123 17 Y CA 0.480 58.695 58.100 0.193 0.000 1.201 17 Y CB -1.097 37.524 38.460 0.267 0.000 1.011 17 Y HN -0.192 nan 8.280 nan 0.000 0.545 18 I N 0.080 120.890 120.570 0.400 0.000 2.286 18 I HA -0.315 3.856 4.170 0.001 0.000 0.248 18 I C 2.652 178.848 176.117 0.131 0.000 1.115 18 I CA 1.475 62.926 61.300 0.252 0.000 1.392 18 I CB -0.318 37.691 38.000 0.015 0.000 1.065 18 I HN 0.149 nan 8.210 nan 0.000 0.418 19 R N 0.994 121.523 120.500 0.049 0.000 2.075 19 R HA -0.179 4.161 4.340 0.001 0.000 0.232 19 R C 2.267 178.579 176.300 0.021 0.000 1.126 19 R CA 1.449 57.551 56.100 0.004 0.000 0.963 19 R CB -0.111 30.162 30.300 -0.044 0.000 0.858 19 R HN 0.400 nan 8.270 nan 0.000 0.435 20 Q N -0.523 119.292 119.800 0.026 0.000 2.079 20 Q HA -0.110 4.230 4.340 0.001 0.000 0.200 20 Q C 2.029 178.063 176.000 0.057 0.000 0.974 20 Q CA 1.337 57.157 55.803 0.028 0.000 0.840 20 Q CB 0.052 28.803 28.738 0.022 0.000 0.898 20 Q HN 0.350 nan 8.270 nan 0.000 0.430 21 M N 0.201 119.865 119.600 0.107 0.000 2.419 21 M HA 0.001 4.482 4.480 0.001 0.000 0.264 21 M C 0.889 177.240 176.300 0.085 0.000 1.082 21 M CA 0.515 55.876 55.300 0.102 0.000 1.119 21 M CB -0.465 32.245 32.600 0.182 0.000 1.398 21 M HN 0.066 nan 8.290 nan 0.000 0.453 22 R N 0.729 121.279 120.500 0.083 0.000 2.522 22 R HA 0.191 4.531 4.340 0.001 0.000 0.284 22 R C 0.949 177.265 176.300 0.026 0.000 1.032 22 R CA 1.082 57.215 56.100 0.055 0.000 1.049 22 R CB 0.111 30.435 30.300 0.040 0.000 0.956 22 R HN 0.550 nan 8.270 nan 0.000 0.422 23 G N 2.730 111.541 108.800 0.019 0.000 2.189 23 G HA2 -0.336 3.625 3.960 0.001 0.000 0.267 23 G HA3 -0.336 3.625 3.960 0.001 0.000 0.267 23 G C 0.197 175.091 174.900 -0.010 0.000 0.975 23 G CA 0.794 45.895 45.100 0.001 0.000 0.644 23 G HN 0.814 nan 8.290 nan 0.000 0.537 24 T N -1.661 112.888 114.554 -0.009 0.000 2.902 24 T HA 0.633 4.984 4.350 0.001 0.000 0.280 24 T C 0.176 174.849 174.700 -0.046 0.000 0.992 24 T CA 0.333 62.411 62.100 -0.037 0.000 1.015 24 T CB 1.964 70.809 68.868 -0.039 0.000 1.044 24 T HN 0.312 nan 8.240 nan 0.000 0.520 25 T N 2.360 116.868 114.554 -0.077 0.000 2.767 25 T HA 0.539 4.889 4.350 0.001 0.000 0.288 25 T C -0.510 174.134 174.700 -0.094 0.000 0.963 25 T CA -0.631 61.420 62.100 -0.081 0.000 1.019 25 T CB 0.516 69.328 68.868 -0.092 0.000 0.923 25 T HN 0.644 nan 8.240 nan 0.000 0.468 26 L N 4.216 125.393 121.223 -0.077 0.000 2.381 26 L HA 0.672 5.013 4.340 0.001 0.000 0.274 26 L C -1.140 175.672 176.870 -0.097 0.000 0.988 26 L CA -0.788 53.999 54.840 -0.089 0.000 0.824 26 L CB 1.299 43.318 42.059 -0.066 0.000 1.263 26 L HN 0.387 nan 8.230 nan 0.000 0.410 27 V N 4.749 124.586 119.914 -0.129 0.000 2.370 27 V HA 0.634 4.755 4.120 0.001 0.000 0.279 27 V C 0.342 176.325 176.094 -0.185 0.000 1.029 27 V CA -0.369 61.841 62.300 -0.150 0.000 0.870 27 V CB 1.271 32.999 31.823 -0.159 0.000 0.984 27 V HN 0.838 nan 8.190 nan 0.000 0.451 28 A N 4.034 126.757 122.820 -0.162 0.000 2.256 28 A HA 0.729 5.049 4.320 0.001 0.000 0.317 28 A C 0.517 177.997 177.584 -0.173 0.000 1.318 28 A CA -0.206 51.735 52.037 -0.161 0.000 0.894 28 A CB 0.710 19.652 19.000 -0.097 0.000 1.165 28 A HN 0.983 nan 8.150 nan 0.000 0.525 29 G N 2.467 111.154 108.800 -0.188 0.000 2.350 29 G HA2 0.526 4.486 3.960 0.001 0.000 0.306 29 G HA3 0.526 4.486 3.960 0.001 0.000 0.306 29 G C -0.324 174.602 174.900 0.042 0.000 1.094 29 G CA -0.302 44.765 45.100 -0.055 0.000 0.953 29 G HN 0.689 nan 8.290 nan 0.000 0.420 30 I N 2.430 122.999 120.570 -0.001 0.000 2.362 30 I HA 0.173 4.344 4.170 0.001 0.000 0.289 30 I C -0.249 175.923 176.117 0.092 0.000 0.994 30 I CA -0.964 60.359 61.300 0.039 0.000 1.158 30 I CB 1.901 39.897 38.000 -0.006 0.000 1.315 30 I HN 0.338 nan 8.210 nan 0.000 0.451 31 D N 4.822 125.287 120.400 0.107 0.000 2.458 31 D HA 0.010 4.651 4.640 0.001 0.000 0.243 31 D C 1.225 177.631 176.300 0.177 0.000 1.146 31 D CA 0.310 54.386 54.000 0.127 0.000 0.877 31 D CB 1.944 42.795 40.800 0.085 0.000 1.176 31 D HN 0.796 nan 8.370 nan 0.000 0.461 32 G N 3.942 112.899 108.800 0.261 0.000 2.471 32 G HA2 -0.239 3.722 3.960 0.001 0.000 0.219 32 G HA3 -0.239 3.722 3.960 0.001 0.000 0.219 32 G C 1.560 176.660 174.900 0.333 0.000 1.125 32 G CA 0.293 45.626 45.100 0.389 0.000 0.775 32 G HN 0.486 nan 8.290 nan 0.000 0.548 33 R N -0.164 120.457 120.500 0.201 0.000 2.189 33 R HA 0.153 4.493 4.340 0.001 0.000 0.223 33 R C 2.220 178.596 176.300 0.127 0.000 1.092 33 R CA 0.349 56.532 56.100 0.137 0.000 0.989 33 R CB -0.339 29.969 30.300 0.013 0.000 0.876 33 R HN 0.345 nan 8.270 nan 0.000 0.457 34 L N 0.083 121.382 121.223 0.127 0.000 2.465 34 L HA -0.025 4.316 4.340 0.001 0.000 0.224 34 L C 1.051 178.004 176.870 0.139 0.000 1.145 34 L CA 0.645 55.556 54.840 0.117 0.000 0.834 34 L CB -0.049 42.077 42.059 0.112 0.000 0.944 34 L HN 0.191 nan 8.230 nan 0.000 0.451 35 L N -0.957 120.362 121.223 0.160 0.000 2.741 35 L HA 0.138 4.479 4.340 0.001 0.000 0.237 35 L C 1.459 178.397 176.870 0.113 0.000 1.178 35 L CA -0.066 54.861 54.840 0.144 0.000 0.973 35 L CB 0.094 42.217 42.059 0.107 0.000 1.255 35 L HN 0.178 nan 8.230 nan 0.000 0.498 36 E N -0.026 120.251 120.200 0.129 0.000 2.367 36 E HA 0.198 4.549 4.350 0.001 0.000 0.204 36 E C 1.076 177.733 176.600 0.095 0.000 0.840 36 E CA 0.432 56.913 56.400 0.135 0.000 1.051 36 E CB 0.839 30.650 29.700 0.186 0.000 1.051 36 E HN 0.351 nan 8.360 nan 0.000 0.509 37 G N -0.224 108.625 108.800 0.082 0.000 2.702 37 G HA2 0.360 4.321 3.960 0.001 0.000 0.254 37 G HA3 0.360 4.321 3.960 0.001 0.000 0.254 37 G C 0.726 175.654 174.900 0.046 0.000 1.380 37 G CA 0.053 45.189 45.100 0.059 0.000 1.042 37 G HN 0.135 nan 8.290 nan 0.000 0.557 38 G N -1.189 107.631 108.800 0.034 0.000 3.026 38 G HA2 0.131 4.092 3.960 0.001 0.000 0.208 38 G HA3 0.131 4.092 3.960 0.001 0.000 0.208 38 G C 1.529 176.446 174.900 0.029 0.000 1.169 38 G CA 1.439 46.553 45.100 0.023 0.000 0.788 38 G HN 0.831 nan 8.290 nan 0.000 0.533 39 T N -1.273 113.307 114.554 0.044 0.000 2.995 39 T HA -0.031 4.320 4.350 0.001 0.000 0.269 39 T C 2.172 176.917 174.700 0.074 0.000 1.091 39 T CA 0.598 62.731 62.100 0.054 0.000 1.128 39 T CB -0.093 68.811 68.868 0.060 0.000 0.891 39 T HN 0.103 nan 8.240 nan 0.000 0.492 40 L N 1.576 122.846 121.223 0.078 0.000 2.012 40 L HA -0.109 4.232 4.340 0.001 0.000 0.210 40 L C 1.933 178.826 176.870 0.039 0.000 1.073 40 L CA 2.099 56.998 54.840 0.099 0.000 0.748 40 L CB -1.324 40.783 42.059 0.079 0.000 0.891 40 L HN 0.226 nan 8.230 nan 0.000 0.431 41 N N 0.334 119.033 118.700 -0.001 0.000 2.188 41 N HA -0.155 4.586 4.740 0.001 0.000 0.184 41 N C 1.712 177.206 175.510 -0.027 0.000 1.018 41 N CA 0.942 53.967 53.050 -0.042 0.000 0.858 41 N CB -0.167 38.299 38.487 -0.035 0.000 0.989 41 N HN 0.294 nan 8.380 nan 0.000 0.426 42 K N 0.645 121.050 120.400 0.008 0.000 2.097 42 K HA -0.043 4.278 4.320 0.001 0.000 0.206 42 K C 1.844 178.469 176.600 0.042 0.000 1.049 42 K CA 0.392 56.691 56.287 0.020 0.000 0.933 42 K CB -0.539 31.979 32.500 0.029 0.000 0.717 42 K HN 0.138 nan 8.250 nan 0.000 0.442 43 L N 0.933 122.203 121.223 0.077 0.000 2.095 43 L HA 0.048 4.388 4.340 0.001 0.000 0.204 43 L C 2.165 179.134 176.870 0.167 0.000 1.080 43 L CA 1.614 56.545 54.840 0.150 0.000 0.759 43 L CB -1.060 41.141 42.059 0.237 0.000 0.914 43 L HN 0.103 nan 8.230 nan 0.000 0.439 44 A N -0.528 122.306 122.820 0.024 0.000 1.908 44 A HA -0.152 4.169 4.320 0.001 0.000 0.218 44 A C 2.437 179.964 177.584 -0.094 0.000 1.181 44 A CA 1.899 53.789 52.037 -0.244 0.000 0.627 44 A CB -1.031 17.602 19.000 -0.613 0.000 0.818 44 A HN 0.507 nan 8.150 nan 0.000 0.445 45 A N -0.204 122.583 122.820 -0.055 0.000 1.902 45 A HA -0.159 4.162 4.320 0.001 0.000 0.217 45 A C 1.770 179.368 177.584 0.023 0.000 1.181 45 A CA 1.918 53.940 52.037 -0.025 0.000 0.623 45 A CB -0.506 18.480 19.000 -0.024 0.000 0.818 45 A HN 0.447 nan 8.150 nan 0.000 0.443 46 D N -0.299 120.136 120.400 0.057 0.000 2.162 46 D HA -0.014 4.627 4.640 0.001 0.000 0.203 46 D C 1.792 178.164 176.300 0.120 0.000 0.967 46 D CA 0.781 54.834 54.000 0.088 0.000 0.840 46 D CB -0.231 40.626 40.800 0.095 0.000 0.972 46 D HN 0.498 nan 8.370 nan 0.000 0.482 47 I N 0.716 121.374 120.570 0.146 0.000 2.353 47 I HA -0.100 4.071 4.170 0.001 0.000 0.248 47 I C 2.450 178.655 176.117 0.146 0.000 1.119 47 I CA 1.005 62.416 61.300 0.184 0.000 1.417 47 I CB -0.271 37.923 38.000 0.323 0.000 1.078 47 I HN 0.006 nan 8.210 nan 0.000 0.421 48 G N 0.953 109.810 108.800 0.096 0.000 2.440 48 G HA2 -0.238 3.723 3.960 0.001 0.000 0.218 48 G HA3 -0.238 3.723 3.960 0.001 0.000 0.218 48 G C 1.719 176.655 174.900 0.060 0.000 1.154 48 G CA 0.444 45.578 45.100 0.057 0.000 0.767 48 G HN 0.292 nan 8.290 nan 0.000 0.552 49 L N 0.176 121.436 121.223 0.062 0.000 2.017 49 L HA -0.004 4.337 4.340 0.001 0.000 0.208 49 L C 2.935 179.855 176.870 0.084 0.000 1.073 49 L CA 1.066 55.940 54.840 0.057 0.000 0.745 49 L CB -0.281 41.809 42.059 0.051 0.000 0.894 49 L HN 0.217 nan 8.230 nan 0.000 0.432 50 L N -0.945 120.358 121.223 0.133 0.000 2.081 50 L HA -0.292 4.048 4.340 0.001 0.000 0.212 50 L C 2.773 179.715 176.870 0.121 0.000 1.080 50 L CA 1.549 56.492 54.840 0.171 0.000 0.754 50 L CB -0.829 41.336 42.059 0.176 0.000 0.893 50 L HN 0.320 nan 8.230 nan 0.000 0.433 51 S N -0.707 115.052 115.700 0.099 0.000 2.359 51 S HA -0.200 4.271 4.470 0.001 0.000 0.224 51 S C 1.945 176.580 174.600 0.059 0.000 1.035 51 S CA 1.231 59.477 58.200 0.076 0.000 1.018 51 S CB -0.044 63.200 63.200 0.074 0.000 0.876 51 S HN 0.410 nan 8.310 nan 0.000 0.448 52 Q N 0.417 120.250 119.800 0.054 0.000 2.364 52 Q HA 0.129 4.470 4.340 0.001 0.000 0.207 52 Q C 1.451 177.476 176.000 0.041 0.000 0.970 52 Q CA 0.620 56.447 55.803 0.041 0.000 0.888 52 Q CB -0.341 28.418 28.738 0.034 0.000 0.951 52 Q HN 0.552 nan 8.270 nan 0.000 0.469 53 L N -0.764 120.492 121.223 0.055 0.000 2.653 53 L HA 0.221 4.561 4.340 0.001 0.000 0.231 53 L C 0.951 177.859 176.870 0.064 0.000 1.153 53 L CA 0.206 55.079 54.840 0.054 0.000 0.933 53 L CB -0.135 41.962 42.059 0.063 0.000 1.175 53 L HN 0.217 nan 8.230 nan 0.000 0.473 54 G N 1.045 109.875 108.800 0.051 0.000 2.160 54 G HA2 -0.299 3.661 3.960 0.001 0.000 0.251 54 G HA3 -0.299 3.661 3.960 0.001 0.000 0.251 54 G C 0.199 175.126 174.900 0.045 0.000 1.008 54 G CA -0.048 45.075 45.100 0.039 0.000 0.724 54 G HN 0.355 nan 8.290 nan 0.000 0.514 55 I N 0.483 121.093 120.570 0.066 0.000 2.416 55 I HA 0.301 4.471 4.170 0.001 0.000 0.288 55 I C 1.087 177.224 176.117 0.032 0.000 1.051 55 I CA -0.544 60.790 61.300 0.056 0.000 1.375 55 I CB 0.728 38.781 38.000 0.088 0.000 1.407 55 I HN 0.030 nan 8.210 nan 0.000 0.516 56 R N 6.798 127.302 120.500 0.007 0.000 2.267 56 R HA 0.549 4.890 4.340 0.001 0.000 0.319 56 R C -1.090 175.202 176.300 -0.014 0.000 1.067 56 R CA -0.249 55.845 56.100 -0.010 0.000 0.936 56 R CB 0.499 30.780 30.300 -0.032 0.000 1.006 56 R HN 0.518 nan 8.270 nan 0.000 0.452 57 L N 3.482 124.705 121.223 -0.001 0.000 2.376 57 L HA 0.497 4.838 4.340 0.001 0.000 0.275 57 L C -0.939 175.927 176.870 -0.007 0.000 0.987 57 L CA -0.990 53.853 54.840 0.005 0.000 0.828 57 L CB 2.123 44.212 42.059 0.050 0.000 1.249 57 L HN 0.312 nan 8.230 nan 0.000 0.409 58 V N 4.882 124.770 119.914 -0.043 0.000 2.444 58 V HA 0.478 4.599 4.120 0.001 0.000 0.294 58 V C -0.200 175.833 176.094 -0.103 0.000 1.022 58 V CA -0.460 61.800 62.300 -0.066 0.000 0.850 58 V CB 1.874 33.639 31.823 -0.097 0.000 0.992 58 V HN 0.502 nan 8.190 nan 0.000 0.426 59 L N 6.237 127.380 121.223 -0.133 0.000 2.322 59 L HA 0.719 5.059 4.340 0.001 0.000 0.281 59 L C -0.750 175.857 176.870 -0.439 0.000 1.014 59 L CA -0.486 54.197 54.840 -0.262 0.000 0.815 59 L CB 1.720 43.612 42.059 -0.279 0.000 1.247 59 L HN 0.470 nan 8.230 nan 0.000 0.421 60 I N 1.623 121.956 120.570 -0.396 0.000 2.582 60 I HA 0.376 4.546 4.170 0.001 0.000 0.292 60 I C -0.566 175.341 176.117 -0.350 0.000 1.066 60 I CA -0.693 60.350 61.300 -0.428 0.000 1.053 60 I CB 2.099 39.939 38.000 -0.268 0.000 1.241 60 I HN 0.684 nan 8.210 nan 0.000 0.421 61 H N 2.833 121.652 119.070 -0.419 0.000 2.676 61 H HA 0.890 5.447 4.556 0.001 0.000 0.352 61 H C -0.150 175.132 175.328 -0.076 0.000 1.193 61 H CA -0.875 55.039 56.048 -0.223 0.000 1.243 61 H CB 1.395 31.027 29.762 -0.217 0.000 1.751 61 H HN 0.627 nan 8.280 nan 0.000 0.567 62 G N -1.390 107.474 108.800 0.106 0.000 2.521 62 G HA2 0.510 4.471 3.960 0.001 0.000 0.323 62 G HA3 0.510 4.471 3.960 0.001 0.000 0.323 62 G C -0.126 174.958 174.900 0.308 0.000 1.211 62 G CA -0.612 44.511 45.100 0.038 0.000 0.979 62 G HN 0.957 nan 8.290 nan 0.000 0.490 63 A N -1.460 121.475 122.820 0.191 0.000 2.263 63 A HA 0.321 4.641 4.320 0.001 0.000 0.200 63 A C 1.625 179.356 177.584 0.245 0.000 1.428 63 A CA 0.145 52.343 52.037 0.267 0.000 1.050 63 A CB -0.240 18.967 19.000 0.345 0.000 1.226 63 A HN 0.495 nan 8.150 nan 0.000 0.501 64 Y N 1.600 121.948 120.300 0.080 0.000 1.997 64 Y HA -0.337 4.214 4.550 0.001 0.000 0.265 64 Y C 2.555 178.436 175.900 -0.032 0.000 1.193 64 Y CA 1.772 59.879 58.100 0.011 0.000 1.106 64 Y CB -1.266 37.169 38.460 -0.042 0.000 0.940 64 Y HN 0.517 nan 8.280 nan 0.000 0.494 65 H N -2.182 117.028 119.070 0.233 0.000 2.421 65 H HA -0.169 4.388 4.556 0.001 0.000 0.298 65 H C 2.266 177.607 175.328 0.022 0.000 1.087 65 H CA 1.449 57.564 56.048 0.112 0.000 1.330 65 H CB -0.761 29.061 29.762 0.099 0.000 1.388 65 H HN 0.400 nan 8.280 nan 0.000 0.526 66 F N 1.799 121.698 119.950 -0.084 0.000 2.186 66 F HA -0.101 4.427 4.527 0.001 0.000 0.299 66 F C 2.199 177.875 175.800 -0.207 0.000 1.090 66 F CA 0.719 58.536 58.000 -0.306 0.000 1.307 66 F CB -0.480 37.897 39.000 -1.038 0.000 1.019 66 F HN -0.061 nan 8.300 nan 0.000 0.489 67 L N 0.083 121.189 121.223 -0.195 0.000 2.131 67 L HA -0.199 4.142 4.340 0.001 0.000 0.210 67 L C 1.847 178.577 176.870 -0.234 0.000 1.092 67 L CA 1.325 56.041 54.840 -0.206 0.000 0.759 67 L CB -0.805 41.246 42.059 -0.014 0.000 0.903 67 L HN 0.108 nan 8.230 nan 0.000 0.435 68 D N -0.372 119.940 120.400 -0.146 0.000 2.162 68 D HA -0.111 4.530 4.640 0.001 0.000 0.203 68 D C 2.133 178.350 176.300 -0.138 0.000 0.967 68 D CA 0.717 54.655 54.000 -0.103 0.000 0.840 68 D CB -0.163 40.629 40.800 -0.013 0.000 0.972 68 D HN 0.096 nan 8.370 nan 0.000 0.482 69 R N 0.162 120.553 120.500 -0.182 0.000 2.357 69 R HA 0.061 4.402 4.340 0.001 0.000 0.202 69 R C 1.552 177.674 176.300 -0.296 0.000 1.047 69 R CA 0.275 56.257 56.100 -0.197 0.000 1.034 69 R CB 0.028 30.228 30.300 -0.168 0.000 0.875 69 R HN 0.232 nan 8.270 nan 0.000 0.473 70 L N -1.640 119.359 121.223 -0.373 0.000 2.526 70 L HA 0.220 4.561 4.340 0.001 0.000 0.210 70 L C 1.800 178.555 176.870 -0.193 0.000 1.048 70 L CA 0.437 55.084 54.840 -0.323 0.000 0.852 70 L CB -0.037 41.750 42.059 -0.454 0.000 1.128 70 L HN 0.150 nan 8.230 nan 0.000 0.482 71 A N 0.353 123.065 122.820 -0.181 0.000 1.889 71 A HA -0.050 4.271 4.320 0.001 0.000 0.209 71 A C 2.304 179.822 177.584 -0.110 0.000 1.315 71 A CA 1.469 53.425 52.037 -0.136 0.000 0.611 71 A CB -1.297 17.617 19.000 -0.143 0.000 0.950 71 A HN 0.348 nan 8.150 nan 0.000 0.477 72 A N -0.305 122.457 122.820 -0.097 0.000 1.935 72 A HA -0.071 4.250 4.320 0.001 0.000 0.224 72 A C 1.963 179.510 177.584 -0.061 0.000 1.324 72 A CA 2.720 54.715 52.037 -0.069 0.000 0.686 72 A CB -1.487 17.484 19.000 -0.048 0.000 0.837 72 A HN 1.682 nan 8.150 nan 0.000 0.481 73 A N -1.961 120.817 122.820 -0.070 0.000 2.958 73 A HA 0.417 4.738 4.320 0.001 0.000 0.247 73 A C 0.920 178.467 177.584 -0.062 0.000 1.679 73 A CA 1.152 53.153 52.037 -0.060 0.000 1.345 73 A CB -0.413 18.549 19.000 -0.064 0.000 1.013 73 A HN 0.653 nan 8.150 nan 0.000 0.641 74 Q N -1.102 118.664 119.800 -0.056 0.000 2.093 74 Q HA 0.238 4.579 4.340 0.001 0.000 0.188 74 Q C 0.693 176.667 176.000 -0.042 0.000 0.697 74 Q CA 1.474 57.246 55.803 -0.051 0.000 0.827 74 Q CB 0.047 28.747 28.738 -0.063 0.000 1.250 74 Q HN 1.265 nan 8.270 nan 0.000 0.413 75 G N 1.056 109.828 108.800 -0.047 0.000 2.147 75 G HA2 -0.102 3.859 3.960 0.001 0.000 0.128 75 G HA3 -0.102 3.859 3.960 0.001 0.000 0.128 75 G C -0.709 174.161 174.900 -0.049 0.000 1.026 75 G CA -0.174 44.903 45.100 -0.039 0.000 0.693 75 G HN 0.207 nan 8.290 nan 0.000 0.499 76 R N 0.328 120.786 120.500 -0.070 0.000 2.561 76 R HA 0.695 5.036 4.340 0.001 0.000 0.297 76 R C -0.349 175.870 176.300 -0.134 0.000 0.969 76 R CA -0.367 55.673 56.100 -0.098 0.000 0.879 76 R CB 1.444 31.681 30.300 -0.104 0.000 1.178 76 R HN 0.320 nan 8.270 nan 0.000 0.445 77 T N -0.015 114.428 114.554 -0.186 0.000 2.767 77 T HA 0.416 4.767 4.350 0.001 0.000 0.284 77 T C -1.830 172.577 174.700 -0.489 0.000 0.973 77 T CA -1.887 60.067 62.100 -0.243 0.000 0.996 77 T CB 1.242 70.022 68.868 -0.147 0.000 0.927 77 T HN 0.411 nan 8.240 nan 0.000 0.456 78 P HA 0.313 nan 4.420 nan 0.000 0.275 78 P C -0.875 176.158 177.300 -0.445 0.000 1.227 78 P CA -0.398 62.440 63.100 -0.437 0.000 0.781 78 P CB 0.511 32.073 31.700 -0.230 0.000 0.906 79 H N 1.606 120.511 119.070 -0.275 0.000 2.495 79 H HA 0.297 4.854 4.556 0.001 0.000 0.348 79 H C -0.750 174.400 175.328 -0.295 0.000 1.113 79 H CA -0.216 55.736 56.048 -0.161 0.000 1.195 79 H CB 1.268 30.965 29.762 -0.108 0.000 1.521 79 H HN 0.465 nan 8.280 nan 0.000 0.509 80 Y N 0.158 120.505 120.300 0.078 0.000 2.473 80 Y HA 0.102 4.653 4.550 0.002 0.000 0.345 80 Y C 0.349 176.246 175.900 -0.005 0.000 0.932 80 Y CA -0.568 57.523 58.100 -0.015 0.000 1.124 80 Y CB 0.799 39.230 38.460 -0.048 0.000 1.162 80 Y HN 0.597 nan 8.280 nan 0.000 0.629 81 C N 4.424 123.781 119.300 0.094 0.000 2.447 81 C HA -0.032 4.428 4.460 0.001 0.000 0.402 81 C C 0.991 176.018 174.990 0.062 0.000 1.473 81 C CA 0.334 59.382 59.018 0.051 0.000 1.402 81 C CB -1.425 26.322 27.740 0.011 0.000 2.435 81 C HN 0.861 nan 8.230 nan 0.000 0.626 82 R N 3.057 123.594 120.500 0.062 0.000 3.770 82 R HA -0.196 4.144 4.340 0.001 0.000 0.305 82 R C 1.035 177.389 176.300 0.090 0.000 1.184 82 R CA 1.197 57.331 56.100 0.056 0.000 0.823 82 R CB -2.593 27.729 30.300 0.037 0.000 1.285 82 R HN 1.958 nan 8.270 nan 0.000 0.499 83 G N -0.361 108.523 108.800 0.140 0.000 2.245 83 G HA2 -0.361 3.600 3.960 0.001 0.000 0.264 83 G HA3 -0.361 3.600 3.960 0.001 0.000 0.264 83 G C 0.271 175.366 174.900 0.326 0.000 0.985 83 G CA 0.434 45.651 45.100 0.194 0.000 0.625 83 G HN 0.305 nan 8.290 nan 0.000 0.536 84 L N 1.494 122.838 121.223 0.202 0.000 2.385 84 L HA 0.300 4.641 4.340 0.001 0.000 0.281 84 L C 1.328 178.172 176.870 -0.044 0.000 1.106 84 L CA -0.563 54.357 54.840 0.133 0.000 0.856 84 L CB 0.698 42.807 42.059 0.082 0.000 1.186 84 L HN 0.232 nan 8.230 nan 0.000 0.453 85 R N 2.765 123.079 120.500 -0.310 0.000 2.421 85 R HA 0.188 4.528 4.340 0.001 0.000 0.305 85 R C -0.633 175.445 176.300 -0.371 0.000 1.039 85 R CA -0.511 55.136 56.100 -0.755 0.000 1.003 85 R CB 0.624 30.194 30.300 -1.216 0.000 0.959 85 R HN 0.385 nan 8.270 nan 0.000 0.427 86 V N 4.575 124.298 119.914 -0.319 0.000 2.529 86 V HA 0.057 4.177 4.120 0.001 0.000 0.292 86 V C 0.255 176.251 176.094 -0.163 0.000 1.028 86 V CA 0.511 62.720 62.300 -0.152 0.000 1.074 86 V CB 1.221 33.006 31.823 -0.063 0.000 0.958 86 V HN 0.793 nan 8.190 nan 0.000 0.481 87 T N 4.228 118.758 114.554 -0.039 0.000 2.906 87 T HA 0.380 4.731 4.350 0.001 0.000 0.302 87 T C -0.495 174.290 174.700 0.142 0.000 1.002 87 T CA -0.778 61.328 62.100 0.009 0.000 0.988 87 T CB 0.941 69.840 68.868 0.052 0.000 0.972 87 T HN 0.900 nan 8.240 nan 0.000 0.447 88 D N 1.129 121.581 120.400 0.087 0.000 2.451 88 D HA 0.185 4.826 4.640 0.001 0.000 0.259 88 D C 1.333 177.649 176.300 0.027 0.000 1.201 88 D CA -0.875 53.223 54.000 0.163 0.000 1.028 88 D CB 0.719 41.560 40.800 0.069 0.000 1.095 88 D HN 0.500 nan 8.370 nan 0.000 0.539 89 E N -0.711 119.459 120.200 -0.050 0.000 2.114 89 E HA -0.267 4.084 4.350 0.001 0.000 0.199 89 E C 1.358 177.825 176.600 -0.221 0.000 1.008 89 E CA 1.967 58.150 56.400 -0.361 0.000 0.810 89 E CB -0.193 29.402 29.700 -0.176 0.000 0.739 89 E HN 0.534 nan 8.360 nan 0.000 0.456 90 T N -0.175 114.317 114.554 -0.104 0.000 2.821 90 T HA -0.083 4.267 4.350 0.001 0.000 0.267 90 T C 2.020 176.683 174.700 -0.061 0.000 1.046 90 T CA 1.235 63.292 62.100 -0.071 0.000 1.139 90 T CB -0.144 68.697 68.868 -0.045 0.000 0.871 90 T HN 0.127 nan 8.240 nan 0.000 0.454 91 S N 1.546 117.209 115.700 -0.062 0.000 2.371 91 S HA 0.087 4.558 4.470 0.001 0.000 0.224 91 S C 1.946 176.532 174.600 -0.023 0.000 1.029 91 S CA 0.340 58.516 58.200 -0.039 0.000 0.978 91 S CB -0.455 62.715 63.200 -0.051 0.000 0.833 91 S HN 0.273 nan 8.310 nan 0.000 0.466 92 L N 1.935 123.103 121.223 -0.091 0.000 2.042 92 L HA -0.121 4.220 4.340 0.001 0.000 0.210 92 L C 2.300 179.120 176.870 -0.085 0.000 1.076 92 L CA 2.154 56.918 54.840 -0.127 0.000 0.749 92 L CB -1.637 40.199 42.059 -0.371 0.000 0.893 92 L HN 0.447 nan 8.230 nan 0.000 0.432 93 G N -1.124 107.619 108.800 -0.094 0.000 2.408 93 G HA2 -0.258 3.703 3.960 0.001 0.000 0.217 93 G HA3 -0.258 3.703 3.960 0.001 0.000 0.217 93 G C 1.400 176.325 174.900 0.042 0.000 1.150 93 G CA 0.450 45.526 45.100 -0.040 0.000 0.776 93 G HN 0.516 nan 8.290 nan 0.000 0.542 94 Q N 0.338 120.183 119.800 0.074 0.000 2.084 94 Q HA 0.011 4.352 4.340 0.001 0.000 0.202 94 Q C 2.994 179.153 176.000 0.264 0.000 0.978 94 Q CA 1.275 57.186 55.803 0.180 0.000 0.844 94 Q CB -0.296 28.544 28.738 0.170 0.000 0.898 94 Q HN 0.457 nan 8.270 nan 0.000 0.426 95 A N 1.226 124.175 122.820 0.214 0.000 1.940 95 A HA -0.269 4.052 4.320 0.001 0.000 0.219 95 A C 1.999 179.722 177.584 0.233 0.000 1.176 95 A CA 1.580 53.774 52.037 0.262 0.000 0.631 95 A CB -0.483 18.633 19.000 0.193 0.000 0.814 95 A HN 0.372 nan 8.150 nan 0.000 0.446 96 Q N -0.765 119.119 119.800 0.139 0.000 2.124 96 Q HA -0.228 4.113 4.340 0.001 0.000 0.202 96 Q C 2.286 178.352 176.000 0.111 0.000 0.977 96 Q CA 1.663 57.532 55.803 0.109 0.000 0.850 96 Q CB -0.207 28.566 28.738 0.058 0.000 0.901 96 Q HN 0.789 nan 8.270 nan 0.000 0.429 97 Q N -0.227 119.649 119.800 0.127 0.000 2.046 97 Q HA -0.148 4.193 4.340 0.001 0.000 0.200 97 Q C 1.853 177.906 176.000 0.088 0.000 0.975 97 Q CA 1.159 57.027 55.803 0.109 0.000 0.836 97 Q CB -0.168 28.653 28.738 0.139 0.000 0.896 97 Q HN 0.290 nan 8.270 nan 0.000 0.428 98 F N 1.246 121.151 119.950 -0.075 0.000 2.126 98 F HA -0.184 4.343 4.527 0.001 0.000 0.299 98 F C 2.076 177.805 175.800 -0.119 0.000 1.096 98 F CA 1.341 59.162 58.000 -0.298 0.000 1.255 98 F CB -0.393 38.296 39.000 -0.519 0.000 0.997 98 F HN 0.004 nan 8.300 nan 0.000 0.479 99 A N 0.009 122.839 122.820 0.017 0.000 1.972 99 A HA -0.008 4.313 4.320 0.001 0.000 0.219 99 A C 2.470 180.041 177.584 -0.021 0.000 1.169 99 A CA 1.577 53.653 52.037 0.066 0.000 0.635 99 A CB -1.697 17.457 19.000 0.257 0.000 0.810 99 A HN 0.503 nan 8.150 nan 0.000 0.446 100 G N -1.426 107.350 108.800 -0.040 0.000 2.396 100 G HA2 -0.052 3.909 3.960 0.001 0.000 0.214 100 G HA3 -0.052 3.909 3.960 0.001 0.000 0.214 100 G C 1.553 176.368 174.900 -0.142 0.000 1.166 100 G CA 1.442 46.505 45.100 -0.061 0.000 0.793 100 G HN 0.394 nan 8.290 nan 0.000 0.533 101 T N 0.770 115.213 114.554 -0.185 0.000 2.652 101 T HA -0.141 4.210 4.350 0.001 0.000 0.267 101 T C 2.445 176.969 174.700 -0.294 0.000 1.039 101 T CA 1.413 63.386 62.100 -0.212 0.000 1.153 101 T CB -0.331 68.406 68.868 -0.218 0.000 0.863 101 T HN 0.022 nan 8.240 nan 0.000 0.428 102 V N 1.049 120.678 119.914 -0.475 0.000 2.379 102 V HA -0.075 4.046 4.120 0.001 0.000 0.245 102 V C 2.671 178.529 176.094 -0.394 0.000 1.044 102 V CA 1.497 63.499 62.300 -0.498 0.000 1.036 102 V CB -0.478 30.799 31.823 -0.911 0.000 0.664 102 V HN 0.339 nan 8.190 nan 0.000 0.453 103 R N -0.629 119.633 120.500 -0.397 0.000 2.092 103 R HA -0.128 4.213 4.340 0.001 0.000 0.231 103 R C 2.517 178.531 176.300 -0.476 0.000 1.119 103 R CA 1.750 57.427 56.100 -0.704 0.000 0.970 103 R CB -0.316 29.682 30.300 -0.503 0.000 0.864 103 R HN 0.440 nan 8.270 nan 0.000 0.440 104 S N 0.189 115.717 115.700 -0.287 0.000 2.368 104 S HA -0.090 4.381 4.470 0.001 0.000 0.225 104 S C 1.852 176.340 174.600 -0.187 0.000 1.030 104 S CA 1.171 59.250 58.200 -0.201 0.000 0.999 104 S CB -0.040 63.074 63.200 -0.143 0.000 0.844 104 S HN 0.366 nan 8.310 nan 0.000 0.459 105 R N -0.476 119.914 120.500 -0.183 0.000 2.073 105 R HA -0.055 4.286 4.340 0.001 0.000 0.234 105 R C 2.054 178.270 176.300 -0.140 0.000 1.134 105 R CA 1.745 57.763 56.100 -0.137 0.000 0.952 105 R CB -0.488 29.745 30.300 -0.112 0.000 0.850 105 R HN 0.414 nan 8.270 nan 0.000 0.433 106 F N 1.750 121.499 119.950 -0.336 0.000 2.102 106 F HA -0.210 4.318 4.527 0.001 0.000 0.298 106 F C 2.422 178.050 175.800 -0.288 0.000 1.105 106 F CA 1.872 59.671 58.000 -0.335 0.000 1.239 106 F CB -0.181 38.462 39.000 -0.595 0.000 0.991 106 F HN 0.044 nan 8.300 nan 0.000 0.474 107 E N 0.123 120.187 120.200 -0.226 0.000 2.085 107 E HA -0.257 4.093 4.350 0.001 0.000 0.194 107 E C 2.193 178.668 176.600 -0.209 0.000 0.994 107 E CA 1.198 57.474 56.400 -0.207 0.000 0.801 107 E CB -0.328 29.266 29.700 -0.176 0.000 0.743 107 E HN 0.464 nan 8.360 nan 0.000 0.453 108 A N 0.987 123.694 122.820 -0.189 0.000 1.930 108 A HA 0.001 4.322 4.320 0.001 0.000 0.217 108 A C 2.354 179.830 177.584 -0.179 0.000 1.175 108 A CA 1.540 53.485 52.037 -0.154 0.000 0.627 108 A CB -0.608 18.320 19.000 -0.120 0.000 0.815 108 A HN 0.408 nan 8.150 nan 0.000 0.443 109 A N -1.124 121.552 122.820 -0.241 0.000 2.119 109 A HA 0.147 4.468 4.320 0.001 0.000 0.217 109 A C 1.994 179.394 177.584 -0.307 0.000 1.153 109 A CA 1.458 53.342 52.037 -0.254 0.000 0.692 109 A CB -0.342 18.492 19.000 -0.276 0.000 0.799 109 A HN 0.574 nan 8.150 nan 0.000 0.458 110 L N -1.758 119.237 121.223 -0.380 0.000 2.298 110 L HA 0.093 4.434 4.340 0.001 0.000 0.209 110 L C 2.287 179.048 176.870 -0.182 0.000 1.084 110 L CA 1.444 56.080 54.840 -0.339 0.000 0.816 110 L CB -0.522 41.274 42.059 -0.438 0.000 0.967 110 L HN 0.378 nan 8.230 nan 0.000 0.460 111 C N 0.001 119.207 119.300 -0.156 0.000 2.432 111 C HA 0.165 4.625 4.460 0.001 0.000 0.280 111 C C 1.933 176.870 174.990 -0.087 0.000 1.353 111 C CA 0.747 59.704 59.018 -0.102 0.000 1.766 111 C CB -1.503 26.181 27.740 -0.093 0.000 1.924 111 C HN 0.679 nan 8.230 nan 0.000 0.509 112 G N -0.296 108.444 108.800 -0.100 0.000 4.433 112 G HA2 0.537 4.498 3.960 0.001 0.000 0.304 112 G HA3 0.537 4.498 3.960 0.001 0.000 0.304 112 G C -0.143 174.710 174.900 -0.078 0.000 1.254 112 G CA 0.296 45.349 45.100 -0.079 0.000 0.999 112 G HN 0.431 nan 8.290 nan 0.000 0.576 123 V N 4.863 124.774 119.914 -0.005 0.000 2.383 123 V HA 0.557 4.678 4.120 0.001 0.000 0.275 123 V C -2.139 173.972 176.094 0.028 0.000 1.036 123 V CA -1.599 60.710 62.300 0.015 0.000 0.889 123 V CB 0.936 32.773 31.823 0.024 0.000 0.985 123 V HN 0.413 nan 8.190 nan 0.000 0.459 124 P HA 0.293 nan 4.420 nan 0.000 0.271 124 P C -0.980 176.365 177.300 0.075 0.000 1.226 124 P CA -0.228 62.897 63.100 0.043 0.000 0.765 124 P CB 1.331 33.050 31.700 0.032 0.000 0.835 125 L N 4.815 126.088 121.223 0.084 0.000 2.409 125 L HA 0.571 4.911 4.340 0.001 0.000 0.272 125 L C -1.158 175.790 176.870 0.131 0.000 0.980 125 L CA -0.714 54.204 54.840 0.130 0.000 0.826 125 L CB 2.204 44.341 42.059 0.130 0.000 1.268 125 L HN 0.137 nan 8.230 nan 0.000 0.407 126 V N 3.321 123.347 119.914 0.187 0.000 2.876 126 V HA 0.867 4.988 4.120 0.001 0.000 0.312 126 V C -0.595 175.678 176.094 0.298 0.000 1.085 126 V CA -0.066 62.358 62.300 0.207 0.000 0.945 126 V CB 2.589 34.540 31.823 0.214 0.000 1.017 126 V HN 0.951 nan 8.190 nan 0.000 0.428 127 S N 2.038 117.885 115.700 0.245 0.000 2.618 127 S HA 1.010 5.480 4.470 0.001 0.000 0.277 127 S C -0.453 174.124 174.600 -0.038 0.000 1.138 127 S CA -0.117 58.237 58.200 0.257 0.000 0.844 127 S CB 2.281 65.649 63.200 0.281 0.000 1.127 127 S HN 1.491 nan 8.310 nan 0.000 0.474 128 G N 0.517 109.025 108.800 -0.486 0.000 2.600 128 G HA2 0.455 4.416 3.960 0.001 0.000 0.293 128 G HA3 0.455 4.416 3.960 0.001 0.000 0.293 128 G C -1.518 172.816 174.900 -0.943 0.000 1.408 128 G CA -0.876 43.640 45.100 -0.974 0.000 0.782 128 G HN 0.900 nan 8.290 nan 0.000 0.482 129 N N 0.447 118.749 118.700 -0.664 0.000 3.303 129 N HA 0.178 4.918 4.740 0.001 0.000 0.304 129 N C 0.297 175.678 175.510 -0.214 0.000 1.302 129 N CA -0.636 52.209 53.050 -0.340 0.000 1.213 129 N CB -0.295 38.067 38.487 -0.209 0.000 1.481 129 N HN 0.390 nan 8.380 nan 0.000 0.546 130 F N -0.297 119.695 119.950 0.069 0.000 2.416 130 F HA 0.186 4.714 4.527 0.001 0.000 0.296 130 F C 0.945 176.782 175.800 0.061 0.000 1.099 130 F CA -0.127 57.909 58.000 0.060 0.000 1.427 130 F CB 0.284 39.315 39.000 0.051 0.000 1.079 130 F HN 0.064 nan 8.300 nan 0.000 0.536 131 L N 1.212 122.567 121.223 0.220 0.000 2.295 131 L HA 0.380 4.721 4.340 0.001 0.000 0.285 131 L C 0.125 177.079 176.870 0.140 0.000 1.035 131 L CA -0.724 54.211 54.840 0.157 0.000 0.806 131 L CB 1.390 43.525 42.059 0.126 0.000 1.214 131 L HN -0.046 nan 8.230 nan 0.000 0.426 132 T N 0.194 114.804 114.554 0.094 0.000 2.779 132 T HA 0.787 5.137 4.350 0.001 0.000 0.280 132 T C -0.235 174.462 174.700 -0.003 0.000 0.987 132 T CA -0.629 61.500 62.100 0.049 0.000 0.966 132 T CB 1.868 70.731 68.868 -0.008 0.000 0.933 132 T HN 0.672 nan 8.240 nan 0.000 0.442 133 A N 3.654 126.487 122.820 0.020 0.000 2.322 133 A HA 0.940 5.261 4.320 0.001 0.000 0.327 133 A C 0.113 177.603 177.584 -0.157 0.000 1.134 133 A CA -1.339 50.687 52.037 -0.018 0.000 0.831 133 A CB 1.172 20.233 19.000 0.101 0.000 1.288 133 A HN 1.144 nan 8.150 nan 0.000 0.472 134 R N 0.658 120.982 120.500 -0.293 0.000 2.807 134 R HA 0.704 5.045 4.340 0.001 0.000 0.276 134 R C -3.127 172.756 176.300 -0.695 0.000 0.979 134 R CA -1.905 53.909 56.100 -0.477 0.000 0.928 134 R CB 1.806 31.935 30.300 -0.286 0.000 1.191 134 R HN 0.429 nan 8.270 nan 0.000 0.471 135 P HA 0.093 nan 4.420 nan 0.000 0.271 135 P C 0.580 177.685 177.300 -0.326 0.000 1.218 135 P CA -0.259 62.417 63.100 -0.705 0.000 0.780 135 P CB 0.836 32.184 31.700 -0.587 0.000 0.901 136 I N 0.537 120.986 120.570 -0.202 0.000 2.700 136 I HA -0.144 4.027 4.170 0.001 0.000 0.261 136 I C 1.756 177.811 176.117 -0.103 0.000 1.219 136 I CA 1.634 62.864 61.300 -0.117 0.000 1.463 136 I CB -0.919 37.043 38.000 -0.063 0.000 1.092 136 I HN 0.691 nan 8.210 nan 0.000 0.452 137 G N 0.584 109.313 108.800 -0.118 0.000 2.523 137 G HA2 -0.278 3.683 3.960 0.001 0.000 0.271 137 G HA3 -0.278 3.683 3.960 0.001 0.000 0.271 137 G C -0.054 174.808 174.900 -0.064 0.000 1.146 137 G CA -0.121 44.924 45.100 -0.091 0.000 0.961 137 G HN 0.069 nan 8.290 nan 0.000 0.549 138 V N 1.378 121.261 119.914 -0.051 0.000 2.304 138 V HA 0.536 4.657 4.120 0.001 0.000 0.278 138 V C 0.284 176.358 176.094 -0.034 0.000 1.018 138 V CA -0.258 62.018 62.300 -0.040 0.000 0.814 138 V CB 0.948 32.749 31.823 -0.036 0.000 1.021 138 V HN 0.593 nan 8.190 nan 0.000 0.440 139 I N 4.331 124.883 120.570 -0.030 0.000 2.301 139 I HA 0.406 4.577 4.170 0.001 0.000 0.292 139 I C 0.402 176.504 176.117 -0.025 0.000 1.046 139 I CA -0.090 61.196 61.300 -0.024 0.000 1.282 139 I CB 0.435 38.425 38.000 -0.016 0.000 1.409 139 I HN 0.559 nan 8.210 nan 0.000 0.484 140 D N 5.480 125.865 120.400 -0.025 0.000 2.835 140 D HA -0.179 4.462 4.640 0.001 0.000 0.230 140 D C 1.126 177.408 176.300 -0.031 0.000 1.130 140 D CA 1.330 55.314 54.000 -0.026 0.000 0.738 140 D CB -1.018 39.767 40.800 -0.026 0.000 1.090 140 D HN 1.151 nan 8.370 nan 0.000 0.433 141 G N -1.179 107.603 108.800 -0.030 0.000 2.225 141 G HA2 -0.322 3.639 3.960 0.001 0.000 0.254 141 G HA3 -0.322 3.639 3.960 0.001 0.000 0.254 141 G C 0.461 175.340 174.900 -0.035 0.000 0.988 141 G CA 0.619 45.700 45.100 -0.031 0.000 0.625 141 G HN 0.492 nan 8.290 nan 0.000 0.527 142 T N 1.433 115.965 114.554 -0.037 0.000 2.762 142 T HA 0.459 4.810 4.350 0.001 0.000 0.303 142 T C -0.074 174.608 174.700 -0.030 0.000 0.977 142 T CA 0.033 62.111 62.100 -0.038 0.000 0.961 142 T CB 1.449 70.289 68.868 -0.046 0.000 0.944 142 T HN 0.368 nan 8.240 nan 0.000 0.481 143 D N 3.113 123.497 120.400 -0.026 0.000 2.531 143 D HA -0.013 4.628 4.640 0.001 0.000 0.239 143 D C 1.084 177.370 176.300 -0.023 0.000 1.144 143 D CA 0.180 54.164 54.000 -0.028 0.000 0.869 143 D CB 0.531 41.316 40.800 -0.025 0.000 1.160 143 D HN 0.272 nan 8.370 nan 0.000 0.484 144 M N 1.950 121.530 119.600 -0.033 0.000 2.414 144 M HA 0.094 4.574 4.480 0.001 0.000 0.251 144 M C 0.920 177.213 176.300 -0.011 0.000 1.116 144 M CA 0.459 55.744 55.300 -0.025 0.000 1.056 144 M CB -0.834 31.748 32.600 -0.029 0.000 1.388 144 M HN 0.593 nan 8.290 nan 0.000 0.487 145 E N -0.835 119.340 120.200 -0.041 0.000 3.045 145 E HA -0.341 4.009 4.350 0.001 0.000 0.350 145 E C 0.432 176.983 176.600 -0.083 0.000 1.445 145 E CA 1.953 58.300 56.400 -0.088 0.000 1.442 145 E CB -1.452 28.265 29.700 0.028 0.000 1.762 145 E HN 0.419 nan 8.360 nan 0.000 0.524 146 Y N 1.079 121.465 120.300 0.144 0.000 2.502 146 Y HA 0.321 4.871 4.550 0.001 0.000 0.295 146 Y C 1.081 177.160 175.900 0.298 0.000 1.193 146 Y CA 0.406 58.666 58.100 0.268 0.000 1.295 146 Y CB 0.370 38.868 38.460 0.063 0.000 1.059 146 Y HN 0.361 nan 8.280 nan 0.000 0.514 147 A N 1.102 124.061 122.820 0.232 0.000 2.438 147 A HA 0.510 4.830 4.320 0.001 0.000 0.280 147 A C 0.841 178.466 177.584 0.069 0.000 1.160 147 A CA 0.495 52.620 52.037 0.148 0.000 0.821 147 A CB -0.639 18.400 19.000 0.064 0.000 1.101 147 A HN 0.363 nan 8.150 nan 0.000 0.515 148 G N 0.359 109.215 108.800 0.093 0.000 2.498 148 G HA2 0.574 4.535 3.960 0.001 0.000 0.312 148 G HA3 0.574 4.535 3.960 0.001 0.000 0.312 148 G C -1.146 173.739 174.900 -0.025 0.000 1.230 148 G CA -0.471 44.585 45.100 -0.074 0.000 0.968 148 G HN 1.048 nan 8.290 nan 0.000 0.481 149 V N 1.348 121.212 119.914 -0.084 0.000 2.769 149 V HA 0.516 4.637 4.120 0.001 0.000 0.312 149 V C -0.036 176.029 176.094 -0.049 0.000 1.061 149 V CA -1.030 61.243 62.300 -0.044 0.000 0.931 149 V CB 1.734 33.527 31.823 -0.049 0.000 1.010 149 V HN 0.644 nan 8.190 nan 0.000 0.433 150 I N 6.016 126.574 120.570 -0.020 0.000 2.662 150 I HA 0.156 4.327 4.170 0.001 0.000 0.285 150 I C 1.480 177.576 176.117 -0.034 0.000 1.161 150 I CA 0.565 61.856 61.300 -0.014 0.000 1.415 150 I CB 0.320 38.323 38.000 0.006 0.000 1.385 150 I HN 0.697 nan 8.210 nan 0.000 0.552 151 R N 5.681 126.149 120.500 -0.053 0.000 2.087 151 R HA 0.173 4.513 4.340 0.001 0.000 0.216 151 R C 0.050 176.331 176.300 -0.031 0.000 1.114 151 R CA 0.781 56.841 56.100 -0.067 0.000 1.002 151 R CB 0.430 30.651 30.300 -0.132 0.000 0.903 151 R HN 0.527 nan 8.270 nan 0.000 0.445 152 K N 0.240 120.632 120.400 -0.015 0.000 2.468 152 K HA 0.170 4.491 4.320 0.001 0.000 0.252 152 K C -1.361 175.271 176.600 0.054 0.000 0.932 152 K CA -0.500 55.803 56.287 0.027 0.000 0.794 152 K CB 2.434 34.966 32.500 0.053 0.000 1.241 152 K HN 0.009 nan 8.250 nan 0.000 0.428 153 T N -0.657 113.931 114.554 0.058 0.000 2.823 153 T HA 0.202 4.553 4.350 0.001 0.000 0.279 153 T C -0.575 174.178 174.700 0.088 0.000 0.998 153 T CA -0.763 61.383 62.100 0.078 0.000 0.994 153 T CB 1.125 70.022 68.868 0.049 0.000 0.960 153 T HN 0.433 nan 8.240 nan 0.000 0.448 154 D N 3.339 123.822 120.400 0.138 0.000 2.508 154 D HA 0.198 4.839 4.640 0.001 0.000 0.224 154 D C 1.192 177.528 176.300 0.062 0.000 1.171 154 D CA -0.031 54.051 54.000 0.136 0.000 1.006 154 D CB 0.404 41.344 40.800 0.233 0.000 1.073 154 D HN 0.666 nan 8.370 nan 0.000 0.513 155 T N 1.407 115.978 114.554 0.029 0.000 2.867 155 T HA -0.090 4.261 4.350 0.001 0.000 0.268 155 T C 1.797 176.493 174.700 -0.006 0.000 1.057 155 T CA 1.272 63.365 62.100 -0.011 0.000 1.136 155 T CB 0.161 69.028 68.868 -0.002 0.000 0.874 155 T HN 0.492 nan 8.240 nan 0.000 0.466 156 A N 1.396 124.232 122.820 0.027 0.000 1.873 156 A HA 0.209 4.529 4.320 0.001 0.000 0.215 156 A C 2.629 180.257 177.584 0.072 0.000 1.186 156 A CA 1.694 53.758 52.037 0.045 0.000 0.616 156 A CB -1.060 17.965 19.000 0.042 0.000 0.823 156 A HN 0.488 nan 8.150 nan 0.000 0.442 157 A N -0.349 122.519 122.820 0.080 0.000 1.933 157 A HA -0.011 4.310 4.320 0.001 0.000 0.218 157 A C 2.180 179.778 177.584 0.023 0.000 1.175 157 A CA 1.446 53.569 52.037 0.143 0.000 0.628 157 A CB -0.579 18.610 19.000 0.315 0.000 0.814 157 A HN 0.464 nan 8.150 nan 0.000 0.444 158 L N -1.138 119.943 121.223 -0.235 0.000 2.017 158 L HA -0.189 4.152 4.340 0.001 0.000 0.208 158 L C 2.893 179.666 176.870 -0.161 0.000 1.073 158 L CA 1.533 56.122 54.840 -0.418 0.000 0.745 158 L CB -0.461 41.344 42.059 -0.423 0.000 0.894 158 L HN 0.341 nan 8.230 nan 0.000 0.432 159 R N -0.771 119.692 120.500 -0.061 0.000 2.091 159 R HA -0.219 4.122 4.340 0.001 0.000 0.238 159 R C 2.303 178.617 176.300 0.024 0.000 1.136 159 R CA 1.867 57.957 56.100 -0.017 0.000 0.959 159 R CB -0.568 29.736 30.300 0.007 0.000 0.856 159 R HN 0.237 nan 8.270 nan 0.000 0.437 160 F N 2.153 122.079 119.950 -0.040 0.000 2.126 160 F HA -0.270 4.258 4.527 0.001 0.000 0.299 160 F C 2.302 178.101 175.800 -0.002 0.000 1.096 160 F CA 1.560 59.555 58.000 -0.009 0.000 1.255 160 F CB -0.040 38.970 39.000 0.017 0.000 0.997 160 F HN -0.061 nan 8.300 nan 0.000 0.479 161 Q N 0.702 120.488 119.800 -0.023 0.000 2.046 161 Q HA -0.124 4.217 4.340 0.001 0.000 0.200 161 Q C 2.499 178.424 176.000 -0.124 0.000 0.975 161 Q CA 1.844 57.595 55.803 -0.087 0.000 0.836 161 Q CB -0.804 27.973 28.738 0.065 0.000 0.896 161 Q HN 0.505 nan 8.270 nan 0.000 0.428 162 L N 0.861 122.024 121.223 -0.100 0.000 2.046 162 L HA -0.193 4.147 4.340 0.001 0.000 0.208 162 L C 1.953 178.767 176.870 -0.093 0.000 1.077 162 L CA 1.045 55.836 54.840 -0.081 0.000 0.747 162 L CB -0.498 41.517 42.059 -0.074 0.000 0.896 162 L HN 0.084 nan 8.230 nan 0.000 0.432 163 D N 0.548 120.876 120.400 -0.119 0.000 2.149 163 D HA -0.164 4.477 4.640 0.001 0.000 0.198 163 D C 2.132 178.343 176.300 -0.148 0.000 0.990 163 D CA 1.548 55.477 54.000 -0.119 0.000 0.839 163 D CB -0.025 40.703 40.800 -0.121 0.000 0.948 163 D HN 0.314 nan 8.370 nan 0.000 0.460 164 A N -0.688 121.993 122.820 -0.232 0.000 2.235 164 A HA 0.362 4.683 4.320 0.001 0.000 0.208 164 A C 1.777 179.292 177.584 -0.114 0.000 1.172 164 A CA 1.301 53.211 52.037 -0.211 0.000 0.786 164 A CB -0.213 18.588 19.000 -0.332 0.000 0.804 164 A HN 0.292 nan 8.150 nan 0.000 0.479 165 G N -0.866 107.883 108.800 -0.085 0.000 2.159 165 G HA2 -0.240 3.720 3.960 0.001 0.000 0.227 165 G HA3 -0.240 3.720 3.960 0.001 0.000 0.227 165 G C -0.085 174.805 174.900 -0.015 0.000 0.986 165 G CA 0.036 45.113 45.100 -0.038 0.000 0.651 165 G HN 0.633 nan 8.290 nan 0.000 0.523 166 N N 0.074 118.760 118.700 -0.022 0.000 2.530 166 N HA 0.498 5.239 4.740 0.001 0.000 0.273 166 N C 0.469 176.009 175.510 0.049 0.000 1.173 166 N CA -0.394 52.669 53.050 0.022 0.000 0.967 166 N CB 0.951 39.459 38.487 0.035 0.000 1.109 166 N HN 0.289 nan 8.380 nan 0.000 0.453 167 I N 1.872 122.495 120.570 0.089 0.000 2.496 167 I HA 0.059 4.230 4.170 0.001 0.000 0.285 167 I C -0.120 176.091 176.117 0.157 0.000 1.080 167 I CA -0.491 60.883 61.300 0.123 0.000 1.404 167 I CB 0.735 38.843 38.000 0.179 0.000 1.403 167 I HN 0.149 nan 8.210 nan 0.000 0.539 168 V N 6.481 126.475 119.914 0.132 0.000 2.370 168 V HA 0.216 4.337 4.120 0.001 0.000 0.279 168 V C -0.440 175.787 176.094 0.221 0.000 1.029 168 V CA -0.537 61.868 62.300 0.174 0.000 0.870 168 V CB 1.410 33.260 31.823 0.045 0.000 0.984 168 V HN 0.662 nan 8.190 nan 0.000 0.451 169 W N 7.630 128.993 121.300 0.106 0.000 2.429 169 W HA 0.679 5.340 4.660 0.001 0.000 0.314 169 W C -1.303 175.285 176.519 0.116 0.000 1.062 169 W CA -0.963 56.416 57.345 0.057 0.000 1.211 169 W CB 1.712 31.189 29.460 0.028 0.000 1.305 169 W HN 0.465 nan 8.180 nan 0.000 0.476 170 M N 8.927 128.309 119.600 -0.364 0.000 2.321 170 M HA 0.299 4.780 4.480 0.001 0.000 0.315 170 M C -2.140 173.925 176.300 -0.392 0.000 1.052 170 M CA -1.860 53.327 55.300 -0.189 0.000 0.936 170 M CB 2.519 35.067 32.600 -0.086 0.000 1.639 170 M HN 0.103 nan 8.290 nan 0.000 0.433 171 P HA 0.284 nan 4.420 nan 0.000 0.276 171 P C -2.584 174.547 177.300 -0.282 0.000 1.261 171 P CA -1.465 61.519 63.100 -0.194 0.000 0.800 171 P CB -0.286 31.486 31.700 0.120 0.000 1.066 172 P HA 0.238 nan 4.420 nan 0.000 0.226 172 P C -0.806 176.464 177.300 -0.050 0.000 1.758 172 P CA 0.333 63.317 63.100 -0.194 0.000 0.896 172 P CB -0.391 31.178 31.700 -0.219 0.000 1.784 173 L N -0.166 121.043 121.223 -0.023 0.000 2.439 173 L HA 0.713 5.054 4.340 0.001 0.000 0.270 173 L C 0.483 177.352 176.870 -0.002 0.000 0.972 173 L CA -0.689 54.144 54.840 -0.013 0.000 0.836 173 L CB 2.473 44.528 42.059 -0.007 0.000 1.255 173 L HN -0.007 nan 8.230 nan 0.000 0.404 174 G N 0.624 109.417 108.800 -0.013 0.000 2.453 174 G HA2 0.643 4.603 3.960 0.001 0.000 0.323 174 G HA3 0.643 4.603 3.960 0.001 0.000 0.323 174 G C -1.058 173.798 174.900 -0.073 0.000 1.198 174 G CA -0.349 44.783 45.100 0.052 0.000 0.959 174 G HN 0.546 nan 8.290 nan 0.000 0.482 175 H N -0.503 118.636 119.070 0.115 0.000 2.651 175 H HA 0.645 5.202 4.556 0.001 0.000 0.353 175 H C -0.057 175.356 175.328 0.142 0.000 1.178 175 H CA -0.459 55.662 56.048 0.123 0.000 1.224 175 H CB 2.166 31.968 29.762 0.067 0.000 1.702 175 H HN 0.629 nan 8.280 nan 0.000 0.550 176 S N -0.191 115.682 115.700 0.288 0.000 2.638 176 S HA 0.231 4.702 4.470 0.001 0.000 0.302 176 S C 0.687 175.427 174.600 0.233 0.000 1.096 176 S CA -0.910 57.397 58.200 0.178 0.000 0.953 176 S CB 0.791 64.184 63.200 0.323 0.000 1.107 176 S HN 0.689 nan 8.310 nan 0.000 0.503 177 Y N 0.461 120.841 120.300 0.133 0.000 2.365 177 Y HA -0.049 4.501 4.550 0.001 0.000 0.287 177 Y C 2.363 178.319 175.900 0.093 0.000 1.162 177 Y CA 0.372 58.528 58.100 0.093 0.000 1.260 177 Y CB -0.328 38.172 38.460 0.067 0.000 0.976 177 Y HN 0.882 nan 8.280 nan 0.000 0.548 178 G N -0.507 108.444 108.800 0.252 0.000 3.088 178 G HA2 0.260 4.221 3.960 0.001 0.000 0.212 178 G HA3 0.260 4.221 3.960 0.001 0.000 0.212 178 G C 1.252 176.244 174.900 0.153 0.000 1.173 178 G CA 0.260 45.469 45.100 0.183 0.000 0.779 178 G HN 0.491 nan 8.290 nan 0.000 0.540 179 G N 0.053 108.952 108.800 0.165 0.000 2.198 179 G HA2 -0.259 3.702 3.960 0.001 0.000 0.260 179 G HA3 -0.259 3.702 3.960 0.001 0.000 0.260 179 G C 0.304 175.266 174.900 0.102 0.000 1.025 179 G CA 0.270 45.448 45.100 0.129 0.000 0.769 179 G HN 0.451 nan 8.290 nan 0.000 0.507 180 K N 0.158 120.612 120.400 0.089 0.000 2.156 180 K HA 0.637 4.958 4.320 0.001 0.000 0.250 180 K C 0.103 176.560 176.600 -0.237 0.000 0.955 180 K CA -0.421 55.808 56.287 -0.096 0.000 0.855 180 K CB 1.552 33.926 32.500 -0.210 0.000 1.101 180 K HN 0.118 nan 8.250 nan 0.000 0.434 181 T N 2.034 116.331 114.554 -0.428 0.000 2.829 181 T HA 0.554 4.905 4.350 0.001 0.000 0.282 181 T C -0.300 173.975 174.700 -0.709 0.000 0.990 181 T CA -0.393 61.356 62.100 -0.584 0.000 1.028 181 T CB 0.184 68.758 68.868 -0.491 0.000 0.951 181 T HN 0.215 nan 8.240 nan 0.000 0.460 182 F N 1.522 121.418 119.950 -0.090 0.000 2.538 182 F HA 0.475 5.003 4.527 0.001 0.000 0.325 182 F C 0.578 176.377 175.800 -0.002 0.000 1.066 182 F CA -1.256 56.757 58.000 0.022 0.000 0.946 182 F CB 1.507 40.518 39.000 0.018 0.000 1.199 182 F HN 0.400 nan 8.300 nan 0.000 0.473 183 N N 1.925 120.782 118.700 0.262 0.000 2.419 183 N HA 0.477 5.218 4.740 0.001 0.000 0.264 183 N C -1.477 174.137 175.510 0.174 0.000 1.031 183 N CA -0.194 52.964 53.050 0.179 0.000 0.951 183 N CB 0.570 39.172 38.487 0.192 0.000 1.101 183 N HN 0.478 nan 8.380 nan 0.000 0.488 184 L N 1.492 122.782 121.223 0.111 0.000 2.334 184 L HA 0.399 4.739 4.340 0.001 0.000 0.275 184 L C 0.025 176.917 176.870 0.037 0.000 1.036 184 L CA -1.182 53.699 54.840 0.069 0.000 0.807 184 L CB 1.322 43.393 42.059 0.020 0.000 1.231 184 L HN 0.554 nan 8.230 nan 0.000 0.438 185 D N 2.137 122.559 120.400 0.038 0.000 2.312 185 D HA 0.057 4.697 4.640 0.001 0.000 0.252 185 D C 0.864 177.098 176.300 -0.112 0.000 1.150 185 D CA -0.317 53.648 54.000 -0.057 0.000 0.870 185 D CB 1.068 41.908 40.800 0.068 0.000 1.153 185 D HN 0.489 nan 8.370 nan 0.000 0.457 186 M N 4.357 123.831 119.600 -0.210 0.000 2.132 186 M HA -0.130 4.351 4.480 0.001 0.000 0.263 186 M C 0.905 177.199 176.300 -0.010 0.000 1.065 186 M CA 1.485 56.710 55.300 -0.125 0.000 1.122 186 M CB -0.239 32.278 32.600 -0.139 0.000 1.365 186 M HN 0.423 nan 8.290 nan 0.000 0.411 187 V N 0.964 120.861 119.914 -0.029 0.000 2.343 187 V HA -0.291 3.830 4.120 0.001 0.000 0.247 187 V C 2.379 178.533 176.094 0.101 0.000 1.051 187 V CA 1.904 64.212 62.300 0.013 0.000 1.036 187 V CB -0.758 30.946 31.823 -0.198 0.000 0.654 187 V HN 0.565 nan 8.190 nan 0.000 0.451 188 Q N -0.711 119.110 119.800 0.036 0.000 2.083 188 Q HA -0.086 4.255 4.340 0.001 0.000 0.198 188 Q C 2.441 178.468 176.000 0.046 0.000 0.969 188 Q CA 1.481 57.312 55.803 0.047 0.000 0.838 188 Q CB -0.374 28.380 28.738 0.027 0.000 0.900 188 Q HN 0.664 nan 8.270 nan 0.000 0.436 189 A N 1.215 124.047 122.820 0.020 0.000 1.892 189 A HA -0.243 4.078 4.320 0.001 0.000 0.218 189 A C 2.282 179.863 177.584 -0.005 0.000 1.188 189 A CA 1.916 53.952 52.037 -0.001 0.000 0.631 189 A CB -0.973 18.007 19.000 -0.033 0.000 0.822 189 A HN 0.432 nan 8.150 nan 0.000 0.447 190 A N -0.530 122.294 122.820 0.008 0.000 1.933 190 A HA 0.176 4.496 4.320 0.001 0.000 0.218 190 A C 2.473 180.030 177.584 -0.045 0.000 1.175 190 A CA 2.131 54.141 52.037 -0.045 0.000 0.628 190 A CB -0.889 18.065 19.000 -0.078 0.000 0.814 190 A HN 1.083 nan 8.150 nan 0.000 0.444 191 A N -0.921 121.923 122.820 0.040 0.000 1.897 191 A HA -0.008 4.312 4.320 0.001 0.000 0.215 191 A C 2.455 180.048 177.584 0.016 0.000 1.181 191 A CA 1.916 53.979 52.037 0.043 0.000 0.620 191 A CB -0.896 18.184 19.000 0.133 0.000 0.821 191 A HN 0.588 nan 8.150 nan 0.000 0.443 192 S N -0.261 115.449 115.700 0.018 0.000 2.353 192 S HA -0.153 4.318 4.470 0.001 0.000 0.222 192 S C 1.938 176.533 174.600 -0.008 0.000 1.035 192 S CA 1.888 60.093 58.200 0.007 0.000 1.025 192 S CB -0.618 62.587 63.200 0.009 0.000 0.902 192 S HN 0.303 nan 8.310 nan 0.000 0.440 193 V N 2.561 122.463 119.914 -0.021 0.000 2.332 193 V HA -0.185 3.936 4.120 0.001 0.000 0.248 193 V C 2.961 179.024 176.094 -0.051 0.000 1.055 193 V CA 1.895 64.173 62.300 -0.037 0.000 1.038 193 V CB -1.569 30.224 31.823 -0.051 0.000 0.651 193 V HN 0.654 nan 8.190 nan 0.000 0.450 194 A N -0.356 122.427 122.820 -0.062 0.000 1.917 194 A HA -0.190 4.131 4.320 0.001 0.000 0.219 194 A C 2.410 179.966 177.584 -0.046 0.000 1.182 194 A CA 2.334 54.328 52.037 -0.071 0.000 0.633 194 A CB -0.708 18.238 19.000 -0.089 0.000 0.819 194 A HN 0.351 nan 8.150 nan 0.000 0.448 195 V N -0.316 119.585 119.914 -0.023 0.000 2.323 195 V HA -0.197 3.924 4.120 0.001 0.000 0.244 195 V C 2.777 178.867 176.094 -0.007 0.000 1.041 195 V CA 2.215 64.512 62.300 -0.004 0.000 1.025 195 V CB -0.801 31.027 31.823 0.009 0.000 0.656 195 V HN 0.576 nan 8.190 nan 0.000 0.451 196 S N 0.215 115.909 115.700 -0.011 0.000 2.380 196 S HA -0.183 4.287 4.470 0.001 0.000 0.229 196 S C 1.771 176.358 174.600 -0.021 0.000 1.043 196 S CA 1.658 59.852 58.200 -0.011 0.000 1.038 196 S CB -0.362 62.832 63.200 -0.010 0.000 0.872 196 S HN 0.477 nan 8.310 nan 0.000 0.456 197 L N 0.844 122.044 121.223 -0.038 0.000 2.509 197 L HA 0.113 4.454 4.340 0.001 0.000 0.222 197 L C 0.412 177.253 176.870 -0.048 0.000 1.123 197 L CA 0.140 54.950 54.840 -0.051 0.000 0.856 197 L CB -0.242 41.772 42.059 -0.074 0.000 0.985 197 L HN 0.177 nan 8.230 nan 0.000 0.456 198 Q N -0.564 119.214 119.800 -0.036 0.000 2.457 198 Q HA -0.202 4.138 4.340 0.001 0.000 0.283 198 Q C 0.468 176.407 176.000 -0.101 0.000 1.234 198 Q CA 0.858 56.641 55.803 -0.033 0.000 0.877 198 Q CB -1.907 26.830 28.738 -0.002 0.000 1.250 198 Q HN 0.487 nan 8.270 nan 0.000 0.481 199 A N 0.405 123.158 122.820 -0.113 0.000 2.565 199 A HA 0.074 4.394 4.320 0.001 0.000 0.237 199 A C 1.246 178.673 177.584 -0.261 0.000 1.053 199 A CA 0.680 52.622 52.037 -0.159 0.000 0.755 199 A CB 0.330 19.253 19.000 -0.129 0.000 0.980 199 A HN 0.310 nan 8.150 nan 0.000 0.506 200 E N 0.680 120.661 120.200 -0.366 0.000 2.204 200 E HA -0.050 4.301 4.350 0.001 0.000 0.194 200 E C 0.592 177.060 176.600 -0.220 0.000 0.989 200 E CA 1.559 57.631 56.400 -0.547 0.000 0.824 200 E CB 0.072 29.530 29.700 -0.403 0.000 0.756 200 E HN 0.604 nan 8.360 nan 0.000 0.477 201 K N 0.154 120.460 120.400 -0.157 0.000 2.513 201 K HA 0.331 4.652 4.320 0.001 0.000 0.251 201 K C -1.911 174.610 176.600 -0.132 0.000 0.939 201 K CA -0.840 55.382 56.287 -0.108 0.000 0.793 201 K CB 1.224 33.667 32.500 -0.095 0.000 1.241 201 K HN -0.081 nan 8.250 nan 0.000 0.431 202 L N 4.922 126.060 121.223 -0.142 0.000 2.296 202 L HA 0.525 4.866 4.340 0.001 0.000 0.286 202 L C -1.557 175.151 176.870 -0.269 0.000 1.023 202 L CA -0.426 54.270 54.840 -0.239 0.000 0.812 202 L CB 1.700 43.599 42.059 -0.268 0.000 1.223 202 L HN 0.370 nan 8.230 nan 0.000 0.421 203 V N 5.964 125.696 119.914 -0.304 0.000 2.409 203 V HA 0.389 4.510 4.120 0.001 0.000 0.291 203 V C -0.940 174.982 176.094 -0.287 0.000 1.020 203 V CA -0.530 61.635 62.300 -0.225 0.000 0.848 203 V CB 1.190 32.939 31.823 -0.124 0.000 0.990 203 V HN 0.555 nan 8.190 nan 0.000 0.430 204 Y N 4.952 125.237 120.300 -0.024 0.000 2.335 204 Y HA 0.602 5.153 4.550 0.001 0.000 0.339 204 Y C -0.190 175.703 175.900 -0.011 0.000 0.987 204 Y CA -0.923 57.165 58.100 -0.020 0.000 1.140 204 Y CB 1.440 39.892 38.460 -0.015 0.000 1.173 204 Y HN 0.433 nan 8.280 nan 0.000 0.486 205 L N 4.542 125.850 121.223 0.142 0.000 2.277 205 L HA 0.472 4.812 4.340 0.001 0.000 0.284 205 L C 0.470 177.395 176.870 0.091 0.000 1.028 205 L CA -0.223 54.670 54.840 0.088 0.000 0.835 205 L CB 0.800 42.897 42.059 0.065 0.000 1.215 205 L HN 0.770 nan 8.230 nan 0.000 0.425 206 T N -0.636 113.961 114.554 0.071 0.000 2.804 206 T HA 0.526 4.877 4.350 0.001 0.000 0.272 206 T C 0.461 175.179 174.700 0.029 0.000 0.986 206 T CA -0.655 61.474 62.100 0.049 0.000 0.999 206 T CB 0.906 69.795 68.868 0.036 0.000 1.307 206 T HN 0.141 nan 8.240 nan 0.000 0.586 207 L N 0.938 122.166 121.223 0.008 0.000 2.628 207 L HA 0.444 4.785 4.340 0.001 0.000 0.229 207 L C 0.502 177.372 176.870 0.001 0.000 1.137 207 L CA 0.309 55.148 54.840 -0.003 0.000 0.909 207 L CB -0.301 41.739 42.059 -0.031 0.000 1.137 207 L HN 0.628 nan 8.230 nan 0.000 0.470 208 S N -1.379 114.325 115.700 0.007 0.000 2.568 208 S HA 0.284 4.755 4.470 0.001 0.000 0.302 208 S C 0.371 174.978 174.600 0.011 0.000 1.082 208 S CA -0.769 57.435 58.200 0.007 0.000 1.009 208 S CB 1.669 64.872 63.200 0.004 0.000 1.069 208 S HN 0.116 nan 8.310 nan 0.000 0.500 209 D N 1.385 121.791 120.400 0.009 0.000 2.378 209 D HA 0.234 4.875 4.640 0.001 0.000 0.227 209 D C 1.072 177.378 176.300 0.010 0.000 1.012 209 D CA 0.804 54.809 54.000 0.009 0.000 0.905 209 D CB -0.104 40.699 40.800 0.006 0.000 0.895 209 D HN 0.772 nan 8.370 nan 0.000 0.532 210 G N 0.490 109.298 108.800 0.013 0.000 2.352 210 G HA2 -0.126 3.835 3.960 0.001 0.000 0.324 210 G HA3 -0.126 3.835 3.960 0.001 0.000 0.324 210 G C -0.966 173.942 174.900 0.013 0.000 1.249 210 G CA -0.923 44.187 45.100 0.017 0.000 1.053 210 G HN 0.127 nan 8.290 nan 0.000 0.492 211 I N 1.598 122.176 120.570 0.015 0.000 2.342 211 I HA 0.398 4.569 4.170 0.001 0.000 0.291 211 I C 0.622 176.746 176.117 0.012 0.000 1.010 211 I CA -0.404 60.904 61.300 0.013 0.000 1.308 211 I CB 1.489 39.499 38.000 0.016 0.000 1.400 211 I HN 0.414 nan 8.210 nan 0.000 0.488 212 S N 6.518 122.225 115.700 0.011 0.000 2.586 212 S HA 0.453 4.924 4.470 0.001 0.000 0.274 212 S C 0.154 174.761 174.600 0.011 0.000 1.281 212 S CA -0.864 57.342 58.200 0.010 0.000 1.035 212 S CB 1.050 64.255 63.200 0.008 0.000 0.962 212 S HN 0.479 nan 8.310 nan 0.000 0.512 213 R N 1.983 122.488 120.500 0.008 0.000 2.583 213 R HA 0.222 4.562 4.340 0.001 0.000 0.268 213 R C -1.530 174.770 176.300 0.000 0.000 1.101 213 R CA -1.842 54.261 56.100 0.006 0.000 1.180 213 R CB -0.307 29.995 30.300 0.003 0.000 1.128 213 R HN 0.404 nan 8.270 nan 0.000 0.568 214 P HA -0.196 nan 4.420 nan 0.000 0.218 214 P C 0.401 177.689 177.300 -0.020 0.000 1.148 214 P CA 1.468 64.554 63.100 -0.023 0.000 0.822 214 P CB -0.053 31.619 31.700 -0.047 0.000 0.784 215 D N -1.376 119.015 120.400 -0.015 0.000 2.338 215 D HA 0.020 4.661 4.640 0.001 0.000 0.239 215 D C 1.389 177.686 176.300 -0.005 0.000 1.095 215 D CA 0.743 54.736 54.000 -0.011 0.000 0.888 215 D CB -0.603 40.191 40.800 -0.009 0.000 0.899 215 D HN 0.285 nan 8.370 nan 0.000 0.525 216 G N 0.825 109.623 108.800 -0.003 0.000 2.268 216 G HA2 -0.310 3.651 3.960 0.001 0.000 0.240 216 G HA3 -0.310 3.651 3.960 0.001 0.000 0.240 216 G C 0.615 175.516 174.900 0.002 0.000 1.010 216 G CA 0.451 45.551 45.100 0.000 0.000 0.618 216 G HN 0.732 nan 8.290 nan 0.000 0.516 217 T N -0.409 114.146 114.554 0.001 0.000 2.926 217 T HA 0.526 4.877 4.350 0.001 0.000 0.307 217 T C 0.714 175.417 174.700 0.004 0.000 1.059 217 T CA -0.050 62.052 62.100 0.002 0.000 1.122 217 T CB 2.006 70.875 68.868 0.002 0.000 0.972 217 T HN 0.998 nan 8.240 nan 0.000 0.545 218 L N 2.600 123.826 121.223 0.004 0.000 2.418 218 L HA 0.438 4.779 4.340 0.001 0.000 0.274 218 L C 0.722 177.595 176.870 0.005 0.000 1.135 218 L CA -0.669 54.174 54.840 0.005 0.000 0.870 218 L CB -0.041 42.020 42.059 0.003 0.000 1.154 218 L HN 0.981 nan 8.230 nan 0.000 0.462 219 A N 4.338 127.162 122.820 0.008 0.000 2.545 219 A HA 0.074 4.394 4.320 0.001 0.000 0.297 219 A C 1.006 178.595 177.584 0.008 0.000 1.340 219 A CA -0.261 51.782 52.037 0.009 0.000 1.016 219 A CB 0.222 19.230 19.000 0.013 0.000 1.122 219 A HN 0.953 nan 8.150 nan 0.000 0.537 220 E N 1.750 121.953 120.200 0.005 0.000 2.038 220 E HA -0.104 4.247 4.350 0.001 0.000 0.195 220 E C 0.874 177.477 176.600 0.005 0.000 1.000 220 E CA 2.040 58.441 56.400 0.002 0.000 0.803 220 E CB 0.118 29.817 29.700 -0.001 0.000 0.750 220 E HN 0.632 nan 8.360 nan 0.000 0.448 221 T N -0.722 113.837 114.554 0.008 0.000 2.921 221 T HA 0.590 4.941 4.350 0.001 0.000 0.297 221 T C -1.387 173.324 174.700 0.018 0.000 1.013 221 T CA -0.790 61.317 62.100 0.012 0.000 0.990 221 T CB 0.335 69.210 68.868 0.011 0.000 1.023 221 T HN 0.045 nan 8.240 nan 0.000 0.447 222 L N 3.768 125.004 121.223 0.023 0.000 2.401 222 L HA 0.608 4.949 4.340 0.001 0.000 0.266 222 L C 0.589 177.478 176.870 0.032 0.000 0.991 222 L CA -1.122 53.734 54.840 0.027 0.000 0.818 222 L CB 2.587 44.663 42.059 0.028 0.000 1.321 222 L HN 0.810 nan 8.230 nan 0.000 0.413 223 S N 0.758 116.478 115.700 0.034 0.000 2.624 223 S HA 0.380 4.851 4.470 0.001 0.000 0.263 223 S C 1.052 175.677 174.600 0.042 0.000 1.287 223 S CA -0.078 58.146 58.200 0.039 0.000 0.990 223 S CB 1.515 64.740 63.200 0.042 0.000 0.950 223 S HN 0.721 nan 8.310 nan 0.000 0.561 224 A N -0.099 122.750 122.820 0.047 0.000 2.067 224 A HA -0.064 4.256 4.320 0.001 0.000 0.219 224 A C 2.216 179.827 177.584 0.044 0.000 1.158 224 A CA 1.394 53.460 52.037 0.048 0.000 0.661 224 A CB -0.844 18.188 19.000 0.053 0.000 0.801 224 A HN 0.919 nan 8.150 nan 0.000 0.452 225 Q N -0.305 119.522 119.800 0.045 0.000 2.062 225 Q HA -0.145 4.196 4.340 0.001 0.000 0.196 225 Q C 1.873 177.896 176.000 0.038 0.000 0.967 225 Q CA 1.393 57.222 55.803 0.043 0.000 0.832 225 Q CB -0.120 28.646 28.738 0.046 0.000 0.899 225 Q HN 0.749 nan 8.270 nan 0.000 0.442 226 E N 0.049 120.272 120.200 0.037 0.000 2.085 226 E HA -0.236 4.114 4.350 0.001 0.000 0.194 226 E C 1.892 178.512 176.600 0.033 0.000 0.994 226 E CA 0.998 57.418 56.400 0.033 0.000 0.801 226 E CB -0.138 29.580 29.700 0.030 0.000 0.743 226 E HN 0.464 nan 8.360 nan 0.000 0.453 227 A N 1.059 123.899 122.820 0.034 0.000 1.877 227 A HA -0.266 4.055 4.320 0.001 0.000 0.216 227 A C 2.140 179.743 177.584 0.032 0.000 1.186 227 A CA 1.668 53.724 52.037 0.033 0.000 0.620 227 A CB -0.512 18.509 19.000 0.035 0.000 0.822 227 A HN 0.110 nan 8.150 nan 0.000 0.443 228 Q N 0.842 120.662 119.800 0.033 0.000 2.061 228 Q HA -0.168 4.173 4.340 0.001 0.000 0.204 228 Q C 2.276 178.297 176.000 0.035 0.000 0.984 228 Q CA 2.644 58.465 55.803 0.031 0.000 0.846 228 Q CB -0.579 28.178 28.738 0.031 0.000 0.902 228 Q HN 0.754 nan 8.270 nan 0.000 0.421 229 S N -1.146 114.578 115.700 0.039 0.000 2.507 229 S HA -0.037 4.434 4.470 0.001 0.000 0.235 229 S C 1.771 176.410 174.600 0.065 0.000 0.988 229 S CA 0.646 58.876 58.200 0.050 0.000 0.944 229 S CB -0.243 62.984 63.200 0.045 0.000 0.762 229 S HN 0.408 nan 8.310 nan 0.000 0.526 230 L N 0.573 121.828 121.223 0.053 0.000 2.249 230 L HA 0.219 4.560 4.340 0.001 0.000 0.207 230 L C 3.034 179.944 176.870 0.067 0.000 1.090 230 L CA 0.789 55.664 54.840 0.059 0.000 0.802 230 L CB -0.670 41.413 42.059 0.039 0.000 0.947 230 L HN 0.437 nan 8.230 nan 0.000 0.453 231 A N 0.374 123.220 122.820 0.044 0.000 2.024 231 A HA -0.218 4.103 4.320 0.001 0.000 0.220 231 A C 2.020 179.615 177.584 0.017 0.000 1.164 231 A CA 1.451 53.504 52.037 0.026 0.000 0.643 231 A CB -0.398 18.610 19.000 0.012 0.000 0.806 231 A HN 0.503 nan 8.150 nan 0.000 0.451 232 E N -0.897 119.325 120.200 0.038 0.000 2.114 232 E HA -0.238 4.113 4.350 0.001 0.000 0.199 232 E C 0.490 176.979 176.600 -0.185 0.000 1.008 232 E CA 1.618 58.001 56.400 -0.030 0.000 0.810 232 E CB -0.269 29.486 29.700 0.093 0.000 0.739 232 E HN 0.880 nan 8.360 nan 0.000 0.456 233 H N -1.153 117.918 119.070 0.002 0.000 2.492 233 H HA 0.488 5.045 4.556 0.003 0.000 0.264 233 H C -0.740 174.587 175.328 -0.001 0.000 1.150 233 H CA -0.030 56.019 56.048 0.001 0.000 0.962 233 H CB 0.986 30.749 29.762 0.002 0.000 1.766 233 H HN 0.116 nan 8.280 nan 0.000 0.589 234 A N 0.579 123.435 122.820 0.059 0.000 2.337 234 A HA 0.828 5.149 4.320 0.001 0.000 0.331 234 A C 0.244 177.835 177.584 0.011 0.000 1.137 234 A CA -0.371 51.688 52.037 0.037 0.000 0.807 234 A CB 0.650 19.667 19.000 0.028 0.000 1.250 234 A HN 0.409 nan 8.150 nan 0.000 0.468 235 A N 0.738 123.563 122.820 0.008 0.000 2.448 235 A HA 0.430 4.751 4.320 0.001 0.000 0.239 235 A C 1.421 178.998 177.584 -0.012 0.000 1.080 235 A CA 0.478 52.513 52.037 -0.003 0.000 0.779 235 A CB -0.311 18.688 19.000 -0.002 0.000 1.026 235 A HN 1.144 nan 8.150 nan 0.000 0.499 236 S N -0.090 115.599 115.700 -0.018 0.000 2.359 236 S HA -0.220 4.251 4.470 0.001 0.000 0.223 236 S C 1.858 176.443 174.600 -0.026 0.000 1.039 236 S CA 1.807 59.993 58.200 -0.022 0.000 1.042 236 S CB -0.451 62.732 63.200 -0.028 0.000 0.915 236 S HN 0.876 nan 8.310 nan 0.000 0.439 237 E N 0.389 120.572 120.200 -0.029 0.000 2.070 237 E HA -0.209 4.141 4.350 0.001 0.000 0.197 237 E C 2.277 178.853 176.600 -0.041 0.000 1.004 237 E CA 1.713 58.094 56.400 -0.031 0.000 0.805 237 E CB -0.262 29.427 29.700 -0.018 0.000 0.744 237 E HN 0.591 nan 8.360 nan 0.000 0.451 238 T N -0.989 113.547 114.554 -0.031 0.000 2.951 238 T HA -0.094 4.257 4.350 0.001 0.000 0.268 238 T C 1.827 176.507 174.700 -0.033 0.000 1.073 238 T CA 1.110 63.189 62.100 -0.034 0.000 1.134 238 T CB -0.189 68.669 68.868 -0.017 0.000 0.884 238 T HN 0.110 nan 8.240 nan 0.000 0.479 239 R N 0.115 120.601 120.500 -0.024 0.000 2.091 239 R HA 0.077 4.417 4.340 0.001 0.000 0.238 239 R C 2.945 179.227 176.300 -0.030 0.000 1.136 239 R CA 1.617 57.704 56.100 -0.021 0.000 0.959 239 R CB -0.194 30.096 30.300 -0.017 0.000 0.856 239 R HN 0.375 nan 8.270 nan 0.000 0.437 240 R N 0.164 120.640 120.500 -0.041 0.000 2.073 240 R HA -0.013 4.328 4.340 0.001 0.000 0.229 240 R C 2.299 178.539 176.300 -0.100 0.000 1.120 240 R CA 0.873 56.942 56.100 -0.051 0.000 0.967 240 R CB -0.271 30.007 30.300 -0.038 0.000 0.862 240 R HN 0.201 nan 8.270 nan 0.000 0.436 241 L N 0.630 121.766 121.223 -0.146 0.000 1.978 241 L HA -0.290 4.051 4.340 0.001 0.000 0.218 241 L C 2.339 179.132 176.870 -0.129 0.000 1.075 241 L CA 1.719 56.416 54.840 -0.239 0.000 0.767 241 L CB -0.412 41.519 42.059 -0.212 0.000 0.890 241 L HN 0.243 nan 8.230 nan 0.000 0.434 242 I N -1.074 119.463 120.570 -0.056 0.000 2.208 242 I HA -0.356 3.815 4.170 0.001 0.000 0.245 242 I C 2.828 178.949 176.117 0.008 0.000 1.097 242 I CA 1.576 62.872 61.300 -0.007 0.000 1.363 242 I CB -0.307 37.694 38.000 0.001 0.000 1.051 242 I HN 0.255 nan 8.210 nan 0.000 0.413 243 S N -0.334 115.363 115.700 -0.005 0.000 2.368 243 S HA -0.200 4.271 4.470 0.001 0.000 0.225 243 S C 2.230 176.842 174.600 0.020 0.000 1.030 243 S CA 2.127 60.330 58.200 0.006 0.000 0.999 243 S CB -0.183 63.015 63.200 -0.003 0.000 0.844 243 S HN 0.398 nan 8.310 nan 0.000 0.459 244 S N 0.667 116.375 115.700 0.013 0.000 2.387 244 S HA 0.174 4.645 4.470 0.001 0.000 0.226 244 S C 2.184 176.858 174.600 0.122 0.000 1.026 244 S CA 0.874 59.110 58.200 0.059 0.000 0.972 244 S CB -0.541 62.687 63.200 0.046 0.000 0.814 244 S HN 0.687 nan 8.310 nan 0.000 0.477 245 A N 0.963 123.865 122.820 0.136 0.000 1.877 245 A HA -0.062 4.259 4.320 0.001 0.000 0.216 245 A C 2.283 179.928 177.584 0.101 0.000 1.186 245 A CA 1.565 53.705 52.037 0.170 0.000 0.620 245 A CB -0.935 18.160 19.000 0.158 0.000 0.822 245 A HN 0.350 nan 8.150 nan 0.000 0.443 246 V N -0.289 119.668 119.914 0.072 0.000 2.407 246 V HA -0.220 3.901 4.120 0.001 0.000 0.248 246 V C 3.019 179.145 176.094 0.053 0.000 1.055 246 V CA 1.899 64.233 62.300 0.056 0.000 1.049 246 V CB -1.038 30.810 31.823 0.043 0.000 0.662 246 V HN 0.623 nan 8.190 nan 0.000 0.455 247 A N -0.220 122.631 122.820 0.051 0.000 1.930 247 A HA -0.034 4.286 4.320 0.001 0.000 0.217 247 A C 2.428 180.042 177.584 0.049 0.000 1.175 247 A CA 1.777 53.840 52.037 0.044 0.000 0.627 247 A CB -0.684 18.339 19.000 0.037 0.000 0.815 247 A HN 0.544 nan 8.150 nan 0.000 0.443 248 A N 0.171 123.028 122.820 0.061 0.000 1.873 248 A HA -0.142 4.179 4.320 0.001 0.000 0.218 248 A C 2.174 179.791 177.584 0.054 0.000 1.193 248 A CA 1.689 53.757 52.037 0.052 0.000 0.629 248 A CB -0.785 18.247 19.000 0.054 0.000 0.826 248 A HN 0.479 nan 8.150 nan 0.000 0.447 249 L N -0.881 120.379 121.223 0.062 0.000 2.012 249 L HA -0.249 4.092 4.340 0.001 0.000 0.210 249 L C 2.639 179.549 176.870 0.067 0.000 1.073 249 L CA 1.945 56.826 54.840 0.068 0.000 0.748 249 L CB -0.671 41.428 42.059 0.067 0.000 0.891 249 L HN 0.478 nan 8.230 nan 0.000 0.431 250 E N -0.231 120.004 120.200 0.058 0.000 2.153 250 E HA -0.163 4.188 4.350 0.001 0.000 0.194 250 E C 2.046 178.676 176.600 0.050 0.000 0.988 250 E CA 0.943 57.375 56.400 0.053 0.000 0.811 250 E CB -0.222 29.501 29.700 0.040 0.000 0.746 250 E HN 0.559 nan 8.360 nan 0.000 0.466 251 G N -0.784 108.044 108.800 0.047 0.000 2.920 251 G HA2 0.147 4.108 3.960 0.001 0.000 0.208 251 G HA3 0.147 4.108 3.960 0.001 0.000 0.208 251 G C 0.968 175.899 174.900 0.052 0.000 1.159 251 G CA 0.361 45.487 45.100 0.042 0.000 0.784 251 G HN 0.409 nan 8.290 nan 0.000 0.535 252 G N -1.360 107.483 108.800 0.071 0.000 2.229 252 G HA2 -0.206 3.754 3.960 0.001 0.000 0.189 252 G HA3 -0.206 3.754 3.960 0.001 0.000 0.189 252 G C 0.232 175.230 174.900 0.163 0.000 1.000 252 G CA -0.066 45.096 45.100 0.103 0.000 0.663 252 G HN 0.567 nan 8.290 nan 0.000 0.493 253 V N 1.798 121.777 119.914 0.109 0.000 2.655 253 V HA 0.201 4.322 4.120 0.001 0.000 0.300 253 V C 1.688 177.899 176.094 0.194 0.000 1.044 253 V CA 0.559 62.916 62.300 0.095 0.000 1.095 253 V CB 0.897 32.733 31.823 0.022 0.000 0.952 253 V HN 0.460 nan 8.190 nan 0.000 0.485 254 H N 3.275 122.342 119.070 -0.006 0.000 2.436 254 H HA 0.155 4.712 4.556 0.001 0.000 0.294 254 H C 1.131 176.459 175.328 0.001 0.000 1.048 254 H CA 0.414 56.462 56.048 -0.000 0.000 1.353 254 H CB 0.518 30.277 29.762 -0.005 0.000 1.414 254 H HN 0.435 nan 8.280 nan 0.000 0.536 255 R N 0.702 121.270 120.500 0.112 0.000 2.563 255 R HA 0.287 4.628 4.340 0.001 0.000 0.262 255 R C -2.160 174.151 176.300 0.017 0.000 1.128 255 R CA -0.460 55.675 56.100 0.058 0.000 0.969 255 R CB 2.101 32.430 30.300 0.049 0.000 1.251 255 R HN -0.001 nan 8.270 nan 0.000 0.442 256 V N 4.287 124.216 119.914 0.026 0.000 2.495 256 V HA 0.599 4.720 4.120 0.001 0.000 0.298 256 V C -1.311 174.799 176.094 0.028 0.000 1.031 256 V CA -0.181 62.128 62.300 0.015 0.000 0.871 256 V CB 1.912 33.770 31.823 0.058 0.000 0.988 256 V HN 0.823 nan 8.190 nan 0.000 0.432 257 Q N 6.408 126.211 119.800 0.006 0.000 2.365 257 Q HA 0.599 4.940 4.340 0.001 0.000 0.269 257 Q C -1.504 174.538 176.000 0.070 0.000 1.061 257 Q CA -0.928 54.888 55.803 0.021 0.000 0.816 257 Q CB 2.871 31.595 28.738 -0.023 0.000 1.325 257 Q HN 0.632 nan 8.270 nan 0.000 0.446 258 I N 3.539 124.154 120.570 0.076 0.000 2.418 258 I HA 0.519 4.690 4.170 0.001 0.000 0.287 258 I C -0.339 175.810 176.117 0.054 0.000 1.008 258 I CA -0.445 60.915 61.300 0.100 0.000 1.104 258 I CB 0.918 38.971 38.000 0.087 0.000 1.264 258 I HN 0.518 nan 8.210 nan 0.000 0.438 259 L N 4.297 125.554 121.223 0.056 0.000 2.341 259 L HA 0.549 4.890 4.340 0.001 0.000 0.254 259 L C -0.195 176.696 176.870 0.036 0.000 1.040 259 L CA -0.951 53.908 54.840 0.032 0.000 0.837 259 L CB 2.137 44.207 42.059 0.019 0.000 1.425 259 L HN 0.387 nan 8.230 nan 0.000 0.414 260 N N 0.366 119.081 118.700 0.025 0.000 2.462 260 N HA 0.241 4.982 4.740 0.001 0.000 0.242 260 N C 0.611 176.139 175.510 0.029 0.000 1.010 260 N CA -0.170 52.895 53.050 0.025 0.000 0.939 260 N CB 1.675 40.171 38.487 0.016 0.000 1.127 260 N HN 0.775 nan 8.380 nan 0.000 0.509 261 G N 1.904 110.727 108.800 0.039 0.000 2.848 261 G HA2 0.011 3.972 3.960 0.001 0.000 0.208 261 G HA3 0.011 3.972 3.960 0.001 0.000 0.208 261 G C 1.005 175.932 174.900 0.045 0.000 1.152 261 G CA 0.508 45.636 45.100 0.048 0.000 0.789 261 G HN 0.631 nan 8.290 nan 0.000 0.531 262 A N -0.060 122.781 122.820 0.034 0.000 2.178 262 A HA 0.668 4.989 4.320 0.001 0.000 0.211 262 A C 1.582 179.180 177.584 0.023 0.000 1.157 262 A CA 0.745 52.800 52.037 0.029 0.000 0.780 262 A CB 0.078 19.091 19.000 0.022 0.000 0.828 262 A HN 0.560 nan 8.150 nan 0.000 0.476 263 A N 1.131 123.964 122.820 0.021 0.000 2.415 263 A HA 0.426 4.747 4.320 0.001 0.000 0.309 263 A C -0.322 177.273 177.584 0.018 0.000 1.356 263 A CA -0.405 51.641 52.037 0.016 0.000 0.998 263 A CB -0.475 18.532 19.000 0.011 0.000 1.145 263 A HN 0.294 nan 8.150 nan 0.000 0.545 264 D N 2.789 123.199 120.400 0.017 0.000 2.662 264 D HA 0.228 4.869 4.640 0.001 0.000 0.237 264 D C 1.451 177.760 176.300 0.015 0.000 1.154 264 D CA 2.179 56.190 54.000 0.018 0.000 0.861 264 D CB -0.019 40.789 40.800 0.013 0.000 1.146 264 D HN 1.187 nan 8.370 nan 0.000 0.518 265 G N 2.757 111.570 108.800 0.022 0.000 2.159 265 G HA2 -0.339 3.622 3.960 0.001 0.000 0.256 265 G HA3 -0.339 3.622 3.960 0.001 0.000 0.256 265 G C 1.209 176.121 174.900 0.019 0.000 0.977 265 G CA 1.015 46.128 45.100 0.022 0.000 0.652 265 G HN 0.859 nan 8.290 nan 0.000 0.531 266 S N -0.464 115.245 115.700 0.016 0.000 2.402 266 S HA 0.107 4.578 4.470 0.001 0.000 0.229 266 S C 2.214 176.813 174.600 -0.002 0.000 1.021 266 S CA 1.200 59.402 58.200 0.004 0.000 0.974 266 S CB -0.146 63.058 63.200 0.006 0.000 0.800 266 S HN 0.542 nan 8.310 nan 0.000 0.484 267 L N -0.054 121.178 121.223 0.015 0.000 2.083 267 L HA -0.057 4.284 4.340 0.001 0.000 0.209 267 L C 2.237 179.109 176.870 0.003 0.000 1.083 267 L CA 1.060 55.903 54.840 0.005 0.000 0.752 267 L CB -0.339 41.744 42.059 0.040 0.000 0.899 267 L HN 0.323 nan 8.230 nan 0.000 0.433 268 L N -0.637 120.629 121.223 0.071 0.000 2.044 268 L HA -0.221 4.120 4.340 0.001 0.000 0.205 268 L C 2.472 179.404 176.870 0.103 0.000 1.075 268 L CA 1.596 56.547 54.840 0.184 0.000 0.747 268 L CB -1.157 41.002 42.059 0.166 0.000 0.903 268 L HN 0.282 nan 8.230 nan 0.000 0.435 269 Q N -0.480 119.331 119.800 0.020 0.000 2.096 269 Q HA -0.267 4.073 4.340 0.001 0.000 0.204 269 Q C 2.149 178.088 176.000 -0.101 0.000 0.982 269 Q CA 1.977 57.758 55.803 -0.036 0.000 0.850 269 Q CB 0.040 28.756 28.738 -0.036 0.000 0.901 269 Q HN 0.400 nan 8.270 nan 0.000 0.422 270 E N -0.186 119.948 120.200 -0.111 0.000 2.047 270 E HA -0.125 4.226 4.350 0.001 0.000 0.191 270 E C 1.711 178.151 176.600 -0.265 0.000 0.987 270 E CA 1.326 57.634 56.400 -0.153 0.000 0.799 270 E CB -0.238 29.395 29.700 -0.112 0.000 0.752 270 E HN 0.474 nan 8.360 nan 0.000 0.449 271 L N -0.882 120.108 121.223 -0.388 0.000 2.217 271 L HA -0.015 4.326 4.340 0.001 0.000 0.211 271 L C 0.987 177.321 176.870 -0.893 0.000 1.107 271 L CA 0.597 54.993 54.840 -0.740 0.000 0.783 271 L CB -0.064 41.305 42.059 -1.150 0.000 0.919 271 L HN 0.130 nan 8.230 nan 0.000 0.442 272 F N -1.316 118.519 119.950 -0.193 0.000 2.729 272 F HA 0.159 4.687 4.527 0.001 0.000 0.315 272 F C 0.935 176.461 175.800 -0.457 0.000 1.102 272 F CA -0.626 57.244 58.000 -0.217 0.000 1.204 272 F CB 0.114 39.109 39.000 -0.008 0.000 1.052 272 F HN -0.130 nan 8.300 nan 0.000 0.551 273 T N -2.715 111.536 114.554 -0.504 0.000 2.908 273 T HA 0.357 4.708 4.350 0.001 0.000 0.290 273 T C 1.198 175.528 174.700 -0.616 0.000 1.034 273 T CA -0.850 60.988 62.100 -0.435 0.000 1.010 273 T CB 2.269 71.036 68.868 -0.169 0.000 1.068 273 T HN 0.275 nan 8.240 nan 0.000 0.481 274 R N 2.782 123.112 120.500 -0.283 0.000 2.083 274 R HA -0.143 4.198 4.340 0.001 0.000 0.237 274 R C 1.575 177.828 176.300 -0.078 0.000 1.137 274 R CA 1.911 57.982 56.100 -0.050 0.000 0.951 274 R CB -0.881 29.490 30.300 0.118 0.000 0.851 274 R HN 0.755 nan 8.270 nan 0.000 0.434 275 N N 0.505 119.162 118.700 -0.072 0.000 2.039 275 N HA -0.064 4.677 4.740 0.001 0.000 0.193 275 N C 0.281 175.747 175.510 -0.074 0.000 1.044 275 N CA 0.894 53.912 53.050 -0.052 0.000 0.847 275 N CB -0.304 38.162 38.487 -0.034 0.000 1.030 275 N HN 0.477 nan 8.380 nan 0.000 0.422 276 G N 1.392 110.126 108.800 -0.110 0.000 3.176 276 G HA2 -0.214 3.747 3.960 0.001 0.000 0.405 276 G HA3 -0.214 3.747 3.960 0.001 0.000 0.405 276 G C 0.162 175.023 174.900 -0.064 0.000 0.496 276 G CA 0.285 45.320 45.100 -0.108 0.000 1.094 276 G HN 0.366 nan 8.290 nan 0.000 0.527 277 I N 1.890 122.428 120.570 -0.053 0.000 3.393 277 I HA 0.710 4.881 4.170 0.001 0.000 0.221 277 I C 1.703 177.804 176.117 -0.026 0.000 1.310 277 I CA 0.403 61.684 61.300 -0.032 0.000 0.936 277 I CB -0.651 37.335 38.000 -0.023 0.000 1.610 277 I HN 2.558 nan 8.210 nan 0.000 0.896 278 G N 0.138 108.930 108.800 -0.013 0.000 2.749 278 G HA2 -0.129 3.832 3.960 0.001 0.000 0.242 278 G HA3 -0.129 3.832 3.960 0.001 0.000 0.242 278 G C -0.194 174.706 174.900 -0.001 0.000 1.364 278 G CA -0.057 45.041 45.100 -0.004 0.000 0.888 278 G HN 1.010 nan 8.290 nan 0.000 0.566 279 T N 0.058 114.618 114.554 0.010 0.000 2.823 279 T HA 0.626 4.976 4.350 0.001 0.000 0.279 279 T C 0.052 174.762 174.700 0.018 0.000 0.998 279 T CA 0.479 62.588 62.100 0.015 0.000 0.994 279 T CB 1.614 70.496 68.868 0.023 0.000 0.960 279 T HN 1.243 nan 8.240 nan 0.000 0.448 280 S N 3.133 118.841 115.700 0.014 0.000 2.478 280 S HA 0.710 5.180 4.470 0.001 0.000 0.312 280 S C -0.759 173.857 174.600 0.026 0.000 1.094 280 S CA -0.775 57.435 58.200 0.016 0.000 1.081 280 S CB -0.000 63.202 63.200 0.004 0.000 1.007 280 S HN 0.566 nan 8.310 nan 0.000 0.475 281 I N 3.742 124.334 120.570 0.036 0.000 2.465 281 I HA 0.757 4.928 4.170 0.001 0.000 0.291 281 I C -0.066 176.078 176.117 0.044 0.000 1.014 281 I CA -0.795 60.531 61.300 0.042 0.000 1.093 281 I CB 1.908 39.940 38.000 0.054 0.000 1.267 281 I HN 0.743 nan 8.210 nan 0.000 0.431 282 A N 4.811 127.657 122.820 0.043 0.000 2.475 282 A HA 0.712 5.033 4.320 0.001 0.000 0.301 282 A C -1.059 176.554 177.584 0.047 0.000 1.059 282 A CA -0.792 51.272 52.037 0.045 0.000 0.710 282 A CB 1.810 20.832 19.000 0.037 0.000 1.288 282 A HN 0.653 nan 8.150 nan 0.000 0.408 283 K N 1.882 122.312 120.400 0.051 0.000 2.262 283 K HA 0.254 4.575 4.320 0.001 0.000 0.282 283 K C 0.122 176.757 176.600 0.059 0.000 1.066 283 K CA -0.288 56.035 56.287 0.060 0.000 0.901 283 K CB 0.635 33.179 32.500 0.072 0.000 1.089 283 K HN 0.667 nan 8.250 nan 0.000 0.476 284 E N 4.144 124.382 120.200 0.065 0.000 2.271 284 E HA 0.041 4.392 4.350 0.001 0.000 0.255 284 E C -0.583 176.078 176.600 0.102 0.000 1.177 284 E CA -0.139 56.302 56.400 0.068 0.000 0.946 284 E CB 0.308 30.049 29.700 0.069 0.000 1.009 284 E HN 0.566 nan 8.360 nan 0.000 0.451 285 A N 4.220 127.087 122.820 0.078 0.000 2.492 285 A HA 0.280 4.600 4.320 0.001 0.000 0.236 285 A C 0.032 177.676 177.584 0.101 0.000 1.078 285 A CA -0.439 51.658 52.037 0.100 0.000 0.773 285 A CB -0.212 18.744 19.000 -0.073 0.000 1.023 285 A HN 0.602 nan 8.150 nan 0.000 0.504 286 F N 0.684 120.676 119.950 0.070 0.000 2.438 286 F HA 0.486 5.013 4.527 0.001 0.000 0.360 286 F C 0.110 175.953 175.800 0.071 0.000 1.118 286 F CA -1.481 56.563 58.000 0.074 0.000 1.164 286 F CB -0.098 38.959 39.000 0.095 0.000 1.131 286 F HN 0.421 nan 8.300 nan 0.000 0.527 287 V N 1.174 121.109 119.914 0.034 0.000 2.538 287 V HA 0.402 4.523 4.120 0.001 0.000 0.265 287 V C -0.067 176.012 176.094 -0.024 0.000 0.977 287 V CA -0.689 61.562 62.300 -0.081 0.000 0.852 287 V CB 0.330 32.024 31.823 -0.215 0.000 1.058 287 V HN 0.962 nan 8.190 nan 0.000 0.462 288 S N 5.961 121.682 115.700 0.034 0.000 2.571 288 S HA 0.436 4.907 4.470 0.001 0.000 0.297 288 S C -0.161 174.414 174.600 -0.042 0.000 1.234 288 S CA 0.168 58.384 58.200 0.026 0.000 1.120 288 S CB -0.730 62.504 63.200 0.057 0.000 0.923 288 S HN 0.710 nan 8.310 nan 0.000 0.504 289 I N 5.820 126.352 120.570 -0.063 0.000 2.436 289 I HA 0.560 4.730 4.170 0.001 0.000 0.289 289 I C -0.055 175.982 176.117 -0.134 0.000 1.010 289 I CA -0.851 60.338 61.300 -0.184 0.000 1.098 289 I CB 1.833 39.599 38.000 -0.391 0.000 1.266 289 I HN 0.693 nan 8.210 nan 0.000 0.434 290 R N 4.038 124.481 120.500 -0.095 0.000 2.836 290 R HA 0.462 4.803 4.340 0.001 0.000 0.269 290 R C -0.895 175.438 176.300 0.055 0.000 1.010 290 R CA -0.943 55.171 56.100 0.023 0.000 0.930 290 R CB 0.774 31.111 30.300 0.062 0.000 1.218 290 R HN 0.319 nan 8.270 nan 0.000 0.473 291 Q N 0.921 120.795 119.800 0.123 0.000 2.269 291 Q HA 0.135 4.476 4.340 0.001 0.000 0.300 291 Q C -0.347 175.729 176.000 0.127 0.000 1.070 291 Q CA 0.763 56.650 55.803 0.140 0.000 0.957 291 Q CB 0.845 29.667 28.738 0.140 0.000 1.131 291 Q HN 0.731 nan 8.270 nan 0.000 0.377 292 A N 4.541 127.429 122.820 0.114 0.000 2.462 292 A HA 0.282 4.602 4.320 0.001 0.000 0.243 292 A C -0.206 177.415 177.584 0.062 0.000 1.076 292 A CA -0.018 52.042 52.037 0.039 0.000 0.773 292 A CB 0.014 19.050 19.000 0.060 0.000 1.010 292 A HN 0.883 nan 8.150 nan 0.000 0.493 293 H N -0.805 118.288 119.070 0.037 0.000 2.896 293 H HA 0.651 5.207 4.556 0.001 0.000 0.318 293 H C 1.340 176.667 175.328 -0.001 0.000 1.409 293 H CA -0.080 55.982 56.048 0.024 0.000 1.328 293 H CB 0.576 30.351 29.762 0.021 0.000 1.940 293 H HN 0.422 nan 8.280 nan 0.000 0.665 294 S N -0.545 115.249 115.700 0.156 0.000 2.381 294 S HA -0.216 4.255 4.470 0.001 0.000 0.230 294 S C 2.170 176.769 174.600 -0.002 0.000 1.052 294 S CA 2.081 60.320 58.200 0.066 0.000 1.068 294 S CB -1.317 61.938 63.200 0.091 0.000 0.918 294 S HN 0.843 nan 8.310 nan 0.000 0.448 295 G N 0.384 109.250 108.800 0.109 0.000 2.509 295 G HA2 -0.117 3.843 3.960 0.001 0.000 0.218 295 G HA3 -0.117 3.843 3.960 0.001 0.000 0.218 295 G C 1.011 175.813 174.900 -0.163 0.000 1.124 295 G CA 0.843 45.953 45.100 0.016 0.000 0.776 295 G HN 0.539 nan 8.290 nan 0.000 0.547 296 D N 0.569 120.766 120.400 -0.338 0.000 2.310 296 D HA -0.033 4.607 4.640 0.001 0.000 0.212 296 D C 2.390 178.576 176.300 -0.191 0.000 0.965 296 D CA 0.171 54.032 54.000 -0.233 0.000 0.879 296 D CB 0.031 40.652 40.800 -0.299 0.000 0.921 296 D HN 0.387 nan 8.370 nan 0.000 0.510 297 I N 1.733 122.178 120.570 -0.208 0.000 2.179 297 I HA -0.198 3.973 4.170 0.001 0.000 0.242 297 I C -0.543 175.463 176.117 -0.186 0.000 1.088 297 I CA 1.093 62.276 61.300 -0.196 0.000 1.357 297 I CB -1.373 36.527 38.000 -0.167 0.000 1.051 297 I HN 0.042 nan 8.210 nan 0.000 0.409 298 P HA -0.199 nan 4.420 nan 0.000 0.215 298 P C 1.365 178.556 177.300 -0.181 0.000 1.153 298 P CA 1.807 64.770 63.100 -0.230 0.000 0.853 298 P CB -0.375 31.137 31.700 -0.313 0.000 0.788 299 H N -0.290 118.724 119.070 -0.092 0.000 2.352 299 H HA -0.044 4.513 4.556 0.001 0.000 0.299 299 H C 2.284 177.558 175.328 -0.090 0.000 1.097 299 H CA 1.004 56.996 56.048 -0.093 0.000 1.311 299 H CB -1.035 28.661 29.762 -0.110 0.000 1.377 299 H HN 0.206 nan 8.280 nan 0.000 0.504 300 I N 0.420 120.990 120.570 -0.000 0.000 2.202 300 I HA -0.186 3.985 4.170 0.001 0.000 0.242 300 I C 2.836 178.923 176.117 -0.050 0.000 1.091 300 I CA 0.884 62.155 61.300 -0.048 0.000 1.368 300 I CB -0.417 37.489 38.000 -0.156 0.000 1.058 300 I HN 0.142 nan 8.210 nan 0.000 0.410 301 A N 1.176 123.950 122.820 -0.075 0.000 1.851 301 A HA -0.242 4.079 4.320 0.001 0.000 0.216 301 A C 2.591 180.154 177.584 -0.035 0.000 1.195 301 A CA 2.262 54.262 52.037 -0.061 0.000 0.622 301 A CB -1.118 17.835 19.000 -0.077 0.000 0.831 301 A HN 0.431 nan 8.150 nan 0.000 0.444 302 A N -0.692 122.113 122.820 -0.025 0.000 1.917 302 A HA -0.137 4.183 4.320 0.001 0.000 0.219 302 A C 2.186 179.770 177.584 0.001 0.000 1.182 302 A CA 2.009 54.041 52.037 -0.008 0.000 0.633 302 A CB -0.678 18.330 19.000 0.013 0.000 0.819 302 A HN 0.860 nan 8.150 nan 0.000 0.448 303 L N -1.055 120.174 121.223 0.009 0.000 2.056 303 L HA -0.049 4.291 4.340 0.001 0.000 0.207 303 L C 2.109 178.986 176.870 0.011 0.000 1.078 303 L CA 1.818 56.668 54.840 0.016 0.000 0.749 303 L CB -0.371 41.705 42.059 0.027 0.000 0.901 303 L HN 0.287 nan 8.230 nan 0.000 0.433 304 I N -0.667 119.908 120.570 0.008 0.000 2.406 304 I HA -0.114 4.057 4.170 0.001 0.000 0.249 304 I C 2.560 178.670 176.117 -0.013 0.000 1.122 304 I CA 0.951 62.259 61.300 0.013 0.000 1.431 304 I CB -0.445 37.575 38.000 0.033 0.000 1.087 304 I HN 0.177 nan 8.210 nan 0.000 0.424 305 R N 0.425 120.907 120.500 -0.030 0.000 2.083 305 R HA -0.162 4.179 4.340 0.001 0.000 0.237 305 R C -0.247 176.023 176.300 -0.050 0.000 1.137 305 R CA 1.704 57.770 56.100 -0.056 0.000 0.951 305 R CB -2.075 28.190 30.300 -0.059 0.000 0.851 305 R HN 0.324 nan 8.270 nan 0.000 0.434 306 P HA -0.164 nan 4.420 nan 0.000 0.216 306 P C 1.347 178.630 177.300 -0.028 0.000 1.153 306 P CA 1.389 64.473 63.100 -0.027 0.000 0.858 306 P CB -0.097 31.594 31.700 -0.016 0.000 0.789 307 L N -0.288 120.921 121.223 -0.024 0.000 2.072 307 L HA -0.136 4.205 4.340 0.001 0.000 0.205 307 L C 2.700 179.556 176.870 -0.023 0.000 1.079 307 L CA 1.489 56.317 54.840 -0.020 0.000 0.752 307 L CB -1.162 40.890 42.059 -0.012 0.000 0.906 307 L HN 0.099 nan 8.230 nan 0.000 0.436 308 E N 0.080 120.259 120.200 -0.035 0.000 2.153 308 E HA -0.247 4.104 4.350 0.001 0.000 0.194 308 E C 1.775 178.337 176.600 -0.063 0.000 0.988 308 E CA 1.010 57.379 56.400 -0.052 0.000 0.811 308 E CB -0.288 29.356 29.700 -0.094 0.000 0.746 308 E HN 0.456 nan 8.360 nan 0.000 0.466 309 E N 0.953 121.114 120.200 -0.065 0.000 2.110 309 E HA -0.179 4.171 4.350 0.001 0.000 0.193 309 E C 2.072 178.655 176.600 -0.028 0.000 0.988 309 E CA 1.189 57.560 56.400 -0.049 0.000 0.804 309 E CB -0.007 29.666 29.700 -0.045 0.000 0.745 309 E HN 0.501 nan 8.360 nan 0.000 0.458 310 Q N -1.074 118.711 119.800 -0.025 0.000 2.435 310 Q HA 0.021 4.362 4.340 0.001 0.000 0.207 310 Q C 0.920 176.910 176.000 -0.016 0.000 0.956 310 Q CA 0.560 56.352 55.803 -0.019 0.000 0.917 310 Q CB 0.522 29.249 28.738 -0.019 0.000 0.997 310 Q HN 0.382 nan 8.270 nan 0.000 0.497 311 G N 0.652 109.443 108.800 -0.014 0.000 2.149 311 G HA2 -0.251 3.710 3.960 0.001 0.000 0.235 311 G HA3 -0.251 3.710 3.960 0.001 0.000 0.235 311 G C 0.487 175.379 174.900 -0.014 0.000 1.018 311 G CA 0.294 45.388 45.100 -0.011 0.000 0.728 311 G HN 0.369 nan 8.290 nan 0.000 0.508 312 I N -0.845 119.719 120.570 -0.011 0.000 3.039 312 I HA 0.334 4.504 4.170 0.001 0.000 0.270 312 I C 1.182 177.301 176.117 0.003 0.000 1.150 312 I CA 0.403 61.697 61.300 -0.010 0.000 1.448 312 I CB 0.120 38.111 38.000 -0.015 0.000 1.197 312 I HN 0.060 nan 8.210 nan 0.000 0.450 313 L N 2.184 123.412 121.223 0.008 0.000 2.322 313 L HA 0.415 4.756 4.340 0.001 0.000 0.281 313 L C -0.431 176.464 176.870 0.041 0.000 1.014 313 L CA -0.771 54.086 54.840 0.028 0.000 0.815 313 L CB 1.950 44.029 42.059 0.034 0.000 1.247 313 L HN 0.058 nan 8.230 nan 0.000 0.421 314 L N 2.400 123.659 121.223 0.059 0.000 2.543 314 L HA -0.041 4.300 4.340 0.001 0.000 0.285 314 L C 0.660 177.623 176.870 0.155 0.000 1.236 314 L CA 0.135 55.032 54.840 0.094 0.000 0.871 314 L CB -0.055 42.051 42.059 0.079 0.000 1.121 314 L HN 0.551 nan 8.230 nan 0.000 0.501 315 H N 2.607 121.726 119.070 0.081 0.000 3.107 315 H HA 0.017 4.573 4.556 0.001 0.000 0.301 315 H C 0.497 175.952 175.328 0.210 0.000 0.981 315 H CA -0.059 56.059 56.048 0.116 0.000 1.443 315 H CB 0.426 30.252 29.762 0.107 0.000 1.479 315 H HN 0.490 nan 8.280 nan 0.000 0.564 316 R N 1.873 122.649 120.500 0.458 0.000 1.177 316 R HA 0.420 4.761 4.340 0.001 0.000 0.084 316 R C -0.540 176.067 176.300 0.511 0.000 1.117 316 R CA 0.306 56.748 56.100 0.571 0.000 2.033 316 R CB 0.468 30.993 30.300 0.376 0.000 0.945 316 R HN 0.764 nan 8.270 nan 0.000 0.717 317 S N -1.368 114.448 115.700 0.194 0.000 2.931 317 S HA 0.056 4.526 4.470 0.001 0.000 0.276 317 S C -0.096 174.428 174.600 -0.126 0.000 0.709 317 S CA -0.298 57.828 58.200 -0.122 0.000 0.744 317 S CB 0.321 63.173 63.200 -0.580 0.000 0.942 317 S HN 0.539 nan 8.310 nan 0.000 0.570 318 R N 2.030 122.464 120.500 -0.109 0.000 2.165 318 R HA -0.194 4.147 4.340 0.001 0.000 0.254 318 R C 1.554 177.796 176.300 -0.097 0.000 1.153 318 R CA 2.998 59.041 56.100 -0.095 0.000 0.971 318 R CB -0.869 29.377 30.300 -0.090 0.000 0.878 318 R HN 0.803 nan 8.270 nan 0.000 0.449 319 E N -0.887 119.226 120.200 -0.144 0.000 2.047 319 E HA -0.100 4.251 4.350 0.001 0.000 0.191 319 E C 1.940 178.522 176.600 -0.031 0.000 0.987 319 E CA 1.776 58.107 56.400 -0.114 0.000 0.799 319 E CB -0.460 29.153 29.700 -0.144 0.000 0.752 319 E HN 0.530 nan 8.360 nan 0.000 0.449 320 Y N 0.683 120.971 120.300 -0.021 0.000 2.014 320 Y HA -0.305 4.246 4.550 0.001 0.000 0.272 320 Y C 2.286 178.204 175.900 0.030 0.000 1.164 320 Y CA 0.749 58.870 58.100 0.035 0.000 1.114 320 Y CB -0.466 38.115 38.460 0.202 0.000 0.961 320 Y HN 0.005 nan 8.280 nan 0.000 0.489 321 L N 0.050 121.393 121.223 0.201 0.000 2.043 321 L HA -0.263 4.078 4.340 0.001 0.000 0.212 321 L C 2.307 179.160 176.870 -0.027 0.000 1.075 321 L CA 1.511 56.363 54.840 0.020 0.000 0.752 321 L CB -0.624 41.349 42.059 -0.145 0.000 0.891 321 L HN 0.342 nan 8.230 nan 0.000 0.432 322 E N 0.099 120.272 120.200 -0.045 0.000 2.085 322 E HA -0.205 4.145 4.350 0.001 0.000 0.194 322 E C 1.623 178.194 176.600 -0.047 0.000 0.994 322 E CA 1.360 57.730 56.400 -0.050 0.000 0.801 322 E CB -0.114 29.553 29.700 -0.055 0.000 0.743 322 E HN 0.478 nan 8.360 nan 0.000 0.453 323 N N -0.298 118.337 118.700 -0.109 0.000 2.461 323 N HA -0.016 4.724 4.740 0.001 0.000 0.188 323 N C 0.247 175.636 175.510 -0.202 0.000 1.134 323 N CA 0.700 53.640 53.050 -0.183 0.000 0.878 323 N CB 0.234 38.557 38.487 -0.273 0.000 0.972 323 N HN 0.351 nan 8.380 nan 0.000 0.456 324 H N -1.492 117.648 119.070 0.116 0.000 2.916 324 H HA 0.248 4.804 4.556 0.001 0.000 0.262 324 H C 1.110 176.582 175.328 0.241 0.000 1.178 324 H CA -0.374 55.772 56.048 0.164 0.000 1.090 324 H CB 0.761 30.658 29.762 0.224 0.000 1.657 324 H HN -0.071 nan 8.280 nan 0.000 0.601 325 I N 1.701 122.411 120.570 0.232 0.000 2.315 325 I HA -0.284 3.886 4.170 0.001 0.000 0.251 325 I C 2.355 178.623 176.117 0.251 0.000 1.125 325 I CA 1.552 62.960 61.300 0.181 0.000 1.392 325 I CB -0.196 37.832 38.000 0.047 0.000 1.065 325 I HN 0.307 nan 8.210 nan 0.000 0.424 326 S N 0.269 116.091 115.700 0.204 0.000 2.442 326 S HA -0.215 4.256 4.470 0.001 0.000 0.236 326 S C 1.720 176.420 174.600 0.167 0.000 1.007 326 S CA 1.121 59.419 58.200 0.164 0.000 0.965 326 S CB -0.789 62.482 63.200 0.118 0.000 0.773 326 S HN 0.789 nan 8.310 nan 0.000 0.504 327 E N -0.603 119.718 120.200 0.202 0.000 2.474 327 E HA 0.172 4.522 4.350 0.001 0.000 0.194 327 E C -0.518 176.077 176.600 -0.008 0.000 1.041 327 E CA -0.417 56.023 56.400 0.067 0.000 0.874 327 E CB -0.163 29.518 29.700 -0.031 0.000 0.914 327 E HN 0.526 nan 8.360 nan 0.000 0.498 328 F N 1.679 121.664 119.950 0.059 0.000 2.385 328 F HA 0.353 4.881 4.527 0.001 0.000 0.336 328 F C 0.390 176.223 175.800 0.056 0.000 1.100 328 F CA -0.573 57.458 58.000 0.053 0.000 1.116 328 F CB 1.865 40.888 39.000 0.039 0.000 1.166 328 F HN -0.185 nan 8.300 nan 0.000 0.511 329 S N 3.017 118.839 115.700 0.204 0.000 2.568 329 S HA 0.827 5.297 4.470 0.001 0.000 0.302 329 S C -0.802 173.840 174.600 0.070 0.000 1.082 329 S CA -0.651 57.610 58.200 0.102 0.000 1.009 329 S CB 1.684 64.907 63.200 0.037 0.000 1.069 329 S HN 0.503 nan 8.310 nan 0.000 0.500 330 I N -0.102 120.461 120.570 -0.012 0.000 2.769 330 I HA 0.708 4.878 4.170 0.001 0.000 0.298 330 I C -1.443 174.625 176.117 -0.081 0.000 1.128 330 I CA -1.024 60.264 61.300 -0.020 0.000 1.031 330 I CB 1.643 39.635 38.000 -0.014 0.000 1.235 330 I HN 0.572 nan 8.210 nan 0.000 0.423 331 L N 5.332 126.507 121.223 -0.079 0.000 2.313 331 L HA 0.668 5.008 4.340 0.001 0.000 0.283 331 L C -0.799 176.029 176.870 -0.070 0.000 1.013 331 L CA 0.045 54.812 54.840 -0.121 0.000 0.816 331 L CB 1.196 43.144 42.059 -0.185 0.000 1.236 331 L HN 0.937 nan 8.230 nan 0.000 0.419 332 E N 2.862 123.037 120.200 -0.042 0.000 2.340 332 E HA 0.428 4.779 4.350 0.001 0.000 0.273 332 E C -1.653 175.037 176.600 0.150 0.000 0.891 332 E CA -0.989 55.423 56.400 0.021 0.000 0.757 332 E CB 2.191 31.876 29.700 -0.024 0.000 1.231 332 E HN 0.721 nan 8.360 nan 0.000 0.439 333 H N 1.178 120.333 119.070 0.140 0.000 2.877 333 H HA 0.227 4.784 4.556 0.001 0.000 0.347 333 H C -1.206 174.235 175.328 0.187 0.000 1.042 333 H CA -0.442 55.740 56.048 0.223 0.000 1.276 333 H CB 1.089 31.062 29.762 0.351 0.000 1.681 333 H HN 0.605 nan 8.280 nan 0.000 0.521 334 D N 4.179 124.375 120.400 -0.340 0.000 2.689 334 D HA -0.184 4.457 4.640 0.001 0.000 0.237 334 D C 1.402 177.656 176.300 -0.077 0.000 1.148 334 D CA 2.100 55.968 54.000 -0.220 0.000 0.656 334 D CB -1.415 39.246 40.800 -0.231 0.000 1.050 334 D HN 1.173 nan 8.370 nan 0.000 0.426 335 G N -0.721 108.040 108.800 -0.064 0.000 2.353 335 G HA2 -0.409 3.551 3.960 0.001 0.000 0.258 335 G HA3 -0.409 3.551 3.960 0.001 0.000 0.258 335 G C 0.345 175.154 174.900 -0.152 0.000 1.013 335 G CA 0.366 45.423 45.100 -0.072 0.000 0.622 335 G HN 0.508 nan 8.290 nan 0.000 0.535 336 N N 1.450 120.052 118.700 -0.162 0.000 2.468 336 N HA 0.283 5.023 4.740 0.001 0.000 0.265 336 N C 0.199 175.370 175.510 -0.566 0.000 1.199 336 N CA -0.165 52.648 53.050 -0.395 0.000 0.928 336 N CB 1.306 39.587 38.487 -0.344 0.000 1.059 336 N HN 0.324 nan 8.380 nan 0.000 0.467 337 L N 3.785 124.629 121.223 -0.632 0.000 2.319 337 L HA 0.120 4.461 4.340 0.001 0.000 0.280 337 L C -0.402 176.117 176.870 -0.584 0.000 1.099 337 L CA 0.272 54.835 54.840 -0.462 0.000 0.828 337 L CB -0.188 41.680 42.059 -0.317 0.000 1.150 337 L HN 0.584 nan 8.230 nan 0.000 0.442 338 Y N 3.818 124.123 120.300 0.009 0.000 2.448 338 Y HA 0.412 4.962 4.550 0.001 0.000 0.257 338 Y C 1.135 177.076 175.900 0.068 0.000 1.089 338 Y CA -0.007 58.136 58.100 0.073 0.000 1.245 338 Y CB 1.348 39.932 38.460 0.207 0.000 1.282 338 Y HN 0.688 nan 8.280 nan 0.000 0.529 339 G N -0.313 108.561 108.800 0.124 0.000 2.698 339 G HA2 0.515 4.476 3.960 0.001 0.000 0.293 339 G HA3 0.515 4.476 3.960 0.001 0.000 0.293 339 G C -1.702 173.228 174.900 0.050 0.000 1.437 339 G CA -0.462 44.688 45.100 0.085 0.000 0.852 339 G HN 0.165 nan 8.290 nan 0.000 0.499 340 C N -1.175 118.168 119.300 0.072 0.000 3.241 340 C HA 1.052 5.513 4.460 0.001 0.000 0.312 340 C C -0.184 174.875 174.990 0.116 0.000 1.350 340 C CA -0.279 58.810 59.018 0.119 0.000 1.415 340 C CB 1.127 28.984 27.740 0.196 0.000 1.770 340 C HN 2.399 nan 8.230 nan 0.000 0.466 341 A N 0.612 123.505 122.820 0.123 0.000 2.582 341 A HA 0.944 5.265 4.320 0.001 0.000 0.297 341 A C -0.763 176.740 177.584 -0.134 0.000 1.059 341 A CA 0.299 52.355 52.037 0.031 0.000 0.705 341 A CB 0.763 19.803 19.000 0.068 0.000 1.279 341 A HN 2.672 nan 8.150 nan 0.000 0.404 342 A N 0.739 123.357 122.820 -0.337 0.000 2.355 342 A HA 0.790 5.111 4.320 0.001 0.000 0.324 342 A C -1.135 176.286 177.584 -0.272 0.000 1.117 342 A CA -0.528 51.158 52.037 -0.585 0.000 0.785 342 A CB 1.207 19.437 19.000 -1.283 0.000 1.254 342 A HN 1.828 nan 8.150 nan 0.000 0.453 343 L N 1.692 122.785 121.223 -0.216 0.000 2.276 343 L HA 0.438 4.779 4.340 0.001 0.000 0.286 343 L C -0.210 176.548 176.870 -0.186 0.000 1.024 343 L CA -0.020 54.748 54.840 -0.121 0.000 0.826 343 L CB 0.597 42.628 42.059 -0.047 0.000 1.211 343 L HN 0.649 nan 8.230 nan 0.000 0.422 344 K N 3.029 123.304 120.400 -0.208 0.000 2.172 344 K HA 0.578 4.899 4.320 0.001 0.000 0.276 344 K C -0.087 176.214 176.600 -0.498 0.000 1.013 344 K CA -0.429 55.638 56.287 -0.367 0.000 0.913 344 K CB 1.246 33.531 32.500 -0.359 0.000 1.055 344 K HN 0.742 nan 8.250 nan 0.000 0.461 345 T N -0.971 113.190 114.554 -0.654 0.000 2.942 345 T HA 0.697 5.048 4.350 0.001 0.000 0.289 345 T C -0.546 173.591 174.700 -0.938 0.000 1.044 345 T CA -0.727 61.023 62.100 -0.584 0.000 1.023 345 T CB 0.697 69.423 68.868 -0.236 0.000 1.123 345 T HN 0.276 nan 8.240 nan 0.000 0.512 346 F N -1.111 118.825 119.950 -0.024 0.000 2.650 346 F HA 0.738 5.266 4.527 0.000 0.000 0.320 346 F C 1.532 177.319 175.800 -0.021 0.000 1.091 346 F CA -1.124 56.855 58.000 -0.035 0.000 0.962 346 F CB 1.033 40.000 39.000 -0.054 0.000 1.363 346 F HN 0.765 nan 8.300 nan 0.000 0.482 347 A N -0.414 122.523 122.820 0.196 0.000 1.933 347 A HA -0.094 4.227 4.320 0.001 0.000 0.218 347 A C 0.616 178.254 177.584 0.090 0.000 1.175 347 A CA 1.163 53.260 52.037 0.100 0.000 0.628 347 A CB -0.898 18.144 19.000 0.070 0.000 0.814 347 A HN 0.699 nan 8.150 nan 0.000 0.444 348 E N 0.298 120.564 120.200 0.110 0.000 2.161 348 E HA 0.403 4.753 4.350 0.001 0.000 0.263 348 E C 1.033 177.699 176.600 0.110 0.000 1.185 348 E CA 0.416 56.866 56.400 0.084 0.000 0.938 348 E CB 0.520 30.253 29.700 0.055 0.000 1.023 348 E HN 0.398 nan 8.360 nan 0.000 0.433 349 A N 4.117 126.981 122.820 0.073 0.000 2.076 349 A HA -0.230 4.091 4.320 0.001 0.000 0.220 349 A C 1.464 179.090 177.584 0.069 0.000 1.160 349 A CA 1.682 53.757 52.037 0.063 0.000 0.653 349 A CB -0.275 18.748 19.000 0.038 0.000 0.801 349 A HN 0.642 nan 8.150 nan 0.000 0.455 350 D N -1.383 119.061 120.400 0.074 0.000 2.355 350 D HA 0.030 4.671 4.640 0.001 0.000 0.218 350 D C 0.383 176.754 176.300 0.118 0.000 1.004 350 D CA 0.161 54.203 54.000 0.071 0.000 0.880 350 D CB -0.833 39.997 40.800 0.050 0.000 0.911 350 D HN 0.294 nan 8.370 nan 0.000 0.528 351 C N 0.317 119.728 119.300 0.184 0.000 2.411 351 C HA 0.899 5.360 4.460 0.001 0.000 0.330 351 C C 0.735 175.949 174.990 0.372 0.000 1.224 351 C CA -0.328 58.875 59.018 0.309 0.000 1.770 351 C CB 1.203 29.120 27.740 0.294 0.000 2.297 351 C HN 0.430 nan 8.230 nan 0.000 0.507 352 G N 1.279 110.331 108.800 0.419 0.000 2.694 352 G HA2 0.681 4.641 3.960 0.001 0.000 0.290 352 G HA3 0.681 4.641 3.960 0.001 0.000 0.290 352 G C -2.062 173.115 174.900 0.463 0.000 1.386 352 G CA -0.102 45.201 45.100 0.339 0.000 0.872 352 G HN 0.679 nan 8.290 nan 0.000 0.475 353 E N 0.347 120.742 120.200 0.325 0.000 2.275 353 E HA 0.290 4.640 4.350 0.001 0.000 0.270 353 E C -1.238 175.446 176.600 0.140 0.000 0.882 353 E CA -0.723 55.863 56.400 0.310 0.000 0.758 353 E CB 2.645 32.580 29.700 0.392 0.000 1.195 353 E HN 0.471 nan 8.360 nan 0.000 0.419 354 I N 3.293 123.948 120.570 0.142 0.000 2.379 354 I HA 0.392 4.563 4.170 0.001 0.000 0.290 354 I C -0.755 175.374 176.117 0.020 0.000 1.063 354 I CA 0.001 61.356 61.300 0.091 0.000 1.351 354 I CB 0.264 38.377 38.000 0.188 0.000 1.410 354 I HN 0.528 nan 8.210 nan 0.000 0.505 355 A N 5.231 128.032 122.820 -0.032 0.000 2.374 355 A HA 0.483 4.804 4.320 0.001 0.000 0.317 355 A C 0.256 177.804 177.584 -0.059 0.000 1.094 355 A CA -0.390 51.613 52.037 -0.056 0.000 0.765 355 A CB 1.121 20.055 19.000 -0.111 0.000 1.268 355 A HN 1.093 nan 8.150 nan 0.000 0.438 356 C N 0.667 119.971 119.300 0.007 0.000 4.529 356 C HA -0.112 4.348 4.460 0.001 0.000 0.296 356 C C 0.093 175.125 174.990 0.070 0.000 1.353 356 C CA 0.358 59.417 59.018 0.068 0.000 2.011 356 C CB -2.951 24.875 27.740 0.142 0.000 1.235 356 C HN 1.283 nan 8.230 nan 0.000 0.784 357 L N 1.935 123.186 121.223 0.048 0.000 2.367 357 L HA 0.655 4.996 4.340 0.001 0.000 0.275 357 L C 0.243 177.093 176.870 -0.034 0.000 1.129 357 L CA 1.298 56.149 54.840 0.018 0.000 0.839 357 L CB 0.991 43.066 42.059 0.026 0.000 1.133 357 L HN 0.820 nan 8.230 nan 0.000 0.453 358 A N 4.651 127.452 122.820 -0.032 0.000 2.512 358 A HA 0.669 4.989 4.320 0.001 0.000 0.294 358 A C -1.689 175.891 177.584 -0.006 0.000 1.054 358 A CA -0.562 51.455 52.037 -0.033 0.000 0.756 358 A CB 1.124 20.134 19.000 0.016 0.000 1.293 358 A HN 0.470 nan 8.150 nan 0.000 0.395 359 V N 2.103 122.002 119.914 -0.024 0.000 2.604 359 V HA 0.621 4.742 4.120 0.001 0.000 0.305 359 V C 0.818 176.940 176.094 0.046 0.000 1.043 359 V CA -0.237 62.088 62.300 0.042 0.000 0.888 359 V CB 2.072 33.917 31.823 0.037 0.000 0.995 359 V HN 1.292 nan 8.190 nan 0.000 0.429 360 S N 4.288 120.057 115.700 0.115 0.000 2.552 360 S HA 0.130 4.601 4.470 0.001 0.000 0.289 360 S C -1.759 172.866 174.600 0.040 0.000 1.304 360 S CA -0.515 57.748 58.200 0.104 0.000 1.063 360 S CB 0.700 64.028 63.200 0.214 0.000 0.848 360 S HN 0.597 nan 8.310 nan 0.000 0.499 361 P HA -0.193 nan 4.420 nan 0.000 0.216 361 P C 1.449 178.729 177.300 -0.034 0.000 1.150 361 P CA 1.510 64.600 63.100 -0.017 0.000 0.843 361 P CB -0.117 31.576 31.700 -0.011 0.000 0.787 362 Q N -0.890 118.900 119.800 -0.018 0.000 2.291 362 Q HA 0.011 4.352 4.340 0.001 0.000 0.205 362 Q C 1.574 177.494 176.000 -0.134 0.000 0.970 362 Q CA 1.478 57.251 55.803 -0.050 0.000 0.876 362 Q CB -0.668 28.066 28.738 -0.006 0.000 0.935 362 Q HN 0.136 nan 8.270 nan 0.000 0.455 363 A N -0.058 122.670 122.820 -0.154 0.000 2.470 363 A HA 0.165 4.486 4.320 0.001 0.000 0.251 363 A C 0.318 177.711 177.584 -0.319 0.000 1.245 363 A CA -0.454 51.387 52.037 -0.327 0.000 0.932 363 A CB 0.298 19.087 19.000 -0.352 0.000 1.037 363 A HN 0.257 nan 8.150 nan 0.000 0.522 364 Q N -0.067 119.625 119.800 -0.180 0.000 2.500 364 Q HA 0.207 4.548 4.340 0.001 0.000 0.215 364 Q C 0.038 175.946 176.000 -0.154 0.000 1.062 364 Q CA 0.191 55.912 55.803 -0.137 0.000 0.996 364 Q CB 0.362 29.048 28.738 -0.086 0.000 1.239 364 Q HN 0.415 nan 8.270 nan 0.000 0.578 365 D N -1.196 119.151 120.400 -0.088 0.000 2.614 365 D HA -0.179 4.462 4.640 0.001 0.000 0.182 365 D C 0.633 176.870 176.300 -0.105 0.000 1.067 365 D CA 1.607 55.567 54.000 -0.067 0.000 1.053 365 D CB -1.269 39.491 40.800 -0.067 0.000 1.117 365 D HN 0.797 nan 8.370 nan 0.000 0.438 366 G N -0.345 108.332 108.800 -0.205 0.000 3.379 366 G HA2 0.384 4.345 3.960 0.001 0.000 0.253 366 G HA3 0.384 4.345 3.960 0.001 0.000 0.253 366 G C 1.368 176.164 174.900 -0.173 0.000 1.262 366 G CA 0.882 45.825 45.100 -0.261 0.000 0.959 366 G HN 0.848 nan 8.290 nan 0.000 0.524 367 G N -0.383 108.398 108.800 -0.032 0.000 2.212 367 G HA2 -0.413 3.548 3.960 0.001 0.000 0.266 367 G HA3 -0.413 3.548 3.960 0.001 0.000 0.266 367 G C 1.150 176.185 174.900 0.225 0.000 0.978 367 G CA 0.696 45.847 45.100 0.084 0.000 0.632 367 G HN 0.550 nan 8.290 nan 0.000 0.537 368 Y N 0.507 120.799 120.300 -0.014 0.000 2.151 368 Y HA -0.148 4.404 4.550 0.002 0.000 0.284 368 Y C 3.149 179.080 175.900 0.052 0.000 1.166 368 Y CA 0.959 59.057 58.100 -0.004 0.000 1.163 368 Y CB -0.359 38.082 38.460 -0.032 0.000 0.974 368 Y HN 0.377 nan 8.280 nan 0.000 0.511 369 G N -0.038 108.905 108.800 0.238 0.000 2.491 369 G HA2 -0.365 3.596 3.960 0.001 0.000 0.218 369 G HA3 -0.365 3.596 3.960 0.001 0.000 0.218 369 G C 1.280 176.408 174.900 0.380 0.000 1.180 369 G CA 1.401 46.620 45.100 0.198 0.000 0.774 369 G HN 0.358 nan 8.290 nan 0.000 0.562 370 E N 0.171 120.634 120.200 0.439 0.000 2.097 370 E HA -0.128 4.223 4.350 0.001 0.000 0.196 370 E C 2.645 179.374 176.600 0.215 0.000 1.000 370 E CA 1.095 57.676 56.400 0.301 0.000 0.804 370 E CB -0.112 29.675 29.700 0.145 0.000 0.740 370 E HN 0.413 nan 8.360 nan 0.000 0.454 371 R N -0.605 119.998 120.500 0.172 0.000 2.152 371 R HA -0.050 4.291 4.340 0.001 0.000 0.232 371 R C 2.236 178.621 176.300 0.141 0.000 1.117 371 R CA 0.920 57.094 56.100 0.123 0.000 0.981 371 R CB -0.100 30.236 30.300 0.061 0.000 0.870 371 R HN 0.240 nan 8.270 nan 0.000 0.451 372 L N -0.342 120.973 121.223 0.153 0.000 2.102 372 L HA -0.092 4.249 4.340 0.001 0.000 0.202 372 L C 2.149 179.155 176.870 0.227 0.000 1.076 372 L CA 0.453 55.380 54.840 0.144 0.000 0.761 372 L CB -0.306 41.813 42.059 0.100 0.000 0.921 372 L HN 0.183 nan 8.230 nan 0.000 0.444 373 L N 0.221 121.615 121.223 0.285 0.000 2.012 373 L HA -0.173 4.168 4.340 0.001 0.000 0.210 373 L C 2.566 179.594 176.870 0.263 0.000 1.073 373 L CA 2.112 57.155 54.840 0.339 0.000 0.748 373 L CB -0.676 41.667 42.059 0.474 0.000 0.891 373 L HN 0.149 nan 8.230 nan 0.000 0.431 374 A N -1.110 121.841 122.820 0.217 0.000 1.877 374 A HA -0.315 4.006 4.320 0.001 0.000 0.216 374 A C 2.298 179.974 177.584 0.154 0.000 1.186 374 A CA 1.867 53.999 52.037 0.158 0.000 0.620 374 A CB -1.227 17.846 19.000 0.123 0.000 0.822 374 A HN 0.778 nan 8.150 nan 0.000 0.443 375 H N 0.375 119.496 119.070 0.086 0.000 2.319 375 H HA -0.154 4.403 4.556 0.003 0.000 0.299 375 H C 1.852 177.224 175.328 0.072 0.000 1.092 375 H CA 2.293 58.383 56.048 0.069 0.000 1.302 375 H CB -0.345 29.453 29.762 0.061 0.000 1.373 375 H HN 0.540 nan 8.280 nan 0.000 0.497 376 I N 0.069 120.773 120.570 0.224 0.000 2.361 376 I HA -0.143 4.028 4.170 0.001 0.000 0.251 376 I C 2.168 178.330 176.117 0.076 0.000 1.133 376 I CA 1.684 63.067 61.300 0.139 0.000 1.413 376 I CB -0.474 37.628 38.000 0.170 0.000 1.073 376 I HN 0.454 nan 8.210 nan 0.000 0.424 377 I N 0.162 120.791 120.570 0.098 0.000 2.439 377 I HA -0.123 4.047 4.170 0.001 0.000 0.251 377 I C 1.751 177.877 176.117 0.016 0.000 1.139 377 I CA 1.432 62.773 61.300 0.069 0.000 1.438 377 I CB -1.026 37.022 38.000 0.080 0.000 1.085 377 I HN 0.080 nan 8.210 nan 0.000 0.427 378 D N 1.590 121.979 120.400 -0.017 0.000 2.117 378 D HA -0.228 4.413 4.640 0.001 0.000 0.197 378 D C 2.051 178.303 176.300 -0.081 0.000 0.987 378 D CA 1.672 55.638 54.000 -0.056 0.000 0.829 378 D CB -0.212 40.530 40.800 -0.096 0.000 0.961 378 D HN 0.533 nan 8.370 nan 0.000 0.460 379 K N 0.696 121.020 120.400 -0.127 0.000 2.026 379 K HA -0.102 4.218 4.320 0.001 0.000 0.208 379 K C 2.067 178.649 176.600 -0.030 0.000 1.048 379 K CA 1.306 57.537 56.287 -0.093 0.000 0.929 379 K CB -0.060 32.380 32.500 -0.100 0.000 0.713 379 K HN 0.006 nan 8.250 nan 0.000 0.439 380 A N 1.435 124.252 122.820 -0.005 0.000 1.883 380 A HA -0.204 4.117 4.320 0.001 0.000 0.217 380 A C 2.179 179.769 177.584 0.011 0.000 1.186 380 A CA 1.710 53.757 52.037 0.017 0.000 0.624 380 A CB -0.639 18.387 19.000 0.044 0.000 0.822 380 A HN 0.367 nan 8.150 nan 0.000 0.444 381 R N -0.798 119.705 120.500 0.005 0.000 2.152 381 R HA -0.110 4.230 4.340 0.001 0.000 0.232 381 R C 2.182 178.480 176.300 -0.003 0.000 1.117 381 R CA 1.096 57.198 56.100 0.003 0.000 0.981 381 R CB -0.530 29.772 30.300 0.004 0.000 0.870 381 R HN 0.530 nan 8.270 nan 0.000 0.451 382 G N 1.063 109.857 108.800 -0.010 0.000 2.471 382 G HA2 -0.168 3.792 3.960 0.001 0.000 0.219 382 G HA3 -0.168 3.792 3.960 0.001 0.000 0.219 382 G C 1.287 176.185 174.900 -0.004 0.000 1.125 382 G CA 0.772 45.865 45.100 -0.010 0.000 0.775 382 G HN 0.513 nan 8.290 nan 0.000 0.548 383 I N -3.904 116.665 120.570 -0.000 0.000 3.974 383 I HA 0.561 4.731 4.170 0.001 0.000 0.334 383 I C 1.251 177.372 176.117 0.008 0.000 1.437 383 I CA 0.198 61.500 61.300 0.004 0.000 1.113 383 I CB 0.390 38.392 38.000 0.003 0.000 1.063 383 I HN 0.122 nan 8.210 nan 0.000 0.400 384 G N 2.168 110.972 108.800 0.007 0.000 2.176 384 G HA2 -0.207 3.754 3.960 0.001 0.000 0.232 384 G HA3 -0.207 3.754 3.960 0.001 0.000 0.232 384 G C 0.045 174.953 174.900 0.013 0.000 0.986 384 G CA -0.163 44.941 45.100 0.007 0.000 0.643 384 G HN 0.423 nan 8.290 nan 0.000 0.522 385 I N 2.406 122.989 120.570 0.021 0.000 2.452 385 I HA 0.290 4.460 4.170 0.001 0.000 0.287 385 I C 1.560 177.687 176.117 0.017 0.000 1.079 385 I CA 0.629 61.950 61.300 0.036 0.000 1.387 385 I CB 1.364 39.398 38.000 0.057 0.000 1.404 385 I HN 0.247 nan 8.210 nan 0.000 0.522 386 S N 5.592 121.296 115.700 0.007 0.000 2.540 386 S HA 0.308 4.779 4.470 0.001 0.000 0.222 386 S C 0.632 175.206 174.600 -0.043 0.000 1.008 386 S CA -0.479 57.704 58.200 -0.028 0.000 0.939 386 S CB 0.353 63.521 63.200 -0.053 0.000 0.865 386 S HN 0.580 nan 8.310 nan 0.000 0.499 387 R N 0.754 121.245 120.500 -0.014 0.000 2.483 387 R HA 0.521 4.862 4.340 0.001 0.000 0.303 387 R C -2.131 174.165 176.300 -0.007 0.000 0.987 387 R CA -0.544 55.514 56.100 -0.070 0.000 0.881 387 R CB 1.872 32.151 30.300 -0.035 0.000 1.177 387 R HN 0.210 nan 8.270 nan 0.000 0.451 388 L N 4.492 125.646 121.223 -0.115 0.000 2.316 388 L HA 0.495 4.835 4.340 0.001 0.000 0.280 388 L C -1.309 175.576 176.870 0.025 0.000 1.006 388 L CA -0.262 54.608 54.840 0.050 0.000 0.836 388 L CB 0.761 42.864 42.059 0.072 0.000 1.221 388 L HN 0.400 nan 8.230 nan 0.000 0.418 389 F N 3.720 123.768 119.950 0.163 0.000 2.375 389 F HA 0.727 5.254 4.527 -0.000 0.000 0.333 389 F C 0.708 176.569 175.800 0.101 0.000 1.104 389 F CA -0.147 57.943 58.000 0.150 0.000 1.149 389 F CB 1.522 40.550 39.000 0.048 0.000 1.190 389 F HN 0.583 nan 8.300 nan 0.000 0.533 390 A N 3.490 126.384 122.820 0.123 0.000 2.374 390 A HA 0.817 5.138 4.320 0.001 0.000 0.305 390 A C -1.615 175.843 177.584 -0.211 0.000 1.053 390 A CA -0.576 51.244 52.037 -0.362 0.000 0.726 390 A CB 1.006 19.155 19.000 -1.418 0.000 1.229 390 A HN 0.669 nan 8.150 nan 0.000 0.431 391 L N 1.415 122.555 121.223 -0.137 0.000 2.356 391 L HA 0.794 5.134 4.340 0.001 0.000 0.277 391 L C 0.194 177.057 176.870 -0.012 0.000 0.996 391 L CA -0.019 54.827 54.840 0.010 0.000 0.822 391 L CB 2.144 44.266 42.059 0.105 0.000 1.256 391 L HN 0.644 nan 8.230 nan 0.000 0.413 392 S N 0.035 115.761 115.700 0.044 0.000 2.543 392 S HA 0.299 4.769 4.470 0.001 0.000 0.271 392 S C 0.352 174.952 174.600 -0.001 0.000 1.148 392 S CA -0.210 58.021 58.200 0.051 0.000 0.914 392 S CB 1.838 65.129 63.200 0.151 0.000 1.096 392 S HN 0.717 nan 8.310 nan 0.000 0.471 393 T N 2.136 116.665 114.554 -0.042 0.000 2.937 393 T HA 0.150 4.501 4.350 0.001 0.000 0.260 393 T C 0.832 175.451 174.700 -0.135 0.000 1.051 393 T CA 1.150 63.175 62.100 -0.124 0.000 1.141 393 T CB -0.210 68.608 68.868 -0.084 0.000 0.879 393 T HN 0.607 nan 8.240 nan 0.000 0.459 394 N N -0.550 118.127 118.700 -0.038 0.000 2.145 394 N HA 0.125 4.866 4.740 0.001 0.000 0.219 394 N C 0.270 175.808 175.510 0.047 0.000 1.266 394 N CA 0.268 53.313 53.050 -0.010 0.000 0.902 394 N CB 1.135 39.613 38.487 -0.014 0.000 1.078 394 N HN 0.253 nan 8.380 nan 0.000 0.513 395 T N -0.669 113.940 114.554 0.092 0.000 3.182 395 T HA 0.185 4.535 4.350 0.001 0.000 0.277 395 T C 1.594 176.465 174.700 0.284 0.000 1.013 395 T CA -0.124 62.054 62.100 0.130 0.000 0.900 395 T CB 0.788 69.690 68.868 0.056 0.000 1.098 395 T HN 0.170 nan 8.240 nan 0.000 0.543 396 G N 1.660 110.640 108.800 0.299 0.000 2.422 396 G HA2 -0.171 3.789 3.960 0.001 0.000 0.218 396 G HA3 -0.171 3.789 3.960 0.001 0.000 0.218 396 G C 1.446 176.542 174.900 0.327 0.000 1.146 396 G CA 0.589 45.919 45.100 0.383 0.000 0.769 396 G HN 0.352 nan 8.290 nan 0.000 0.547 397 E N -0.147 120.193 120.200 0.234 0.000 2.058 397 E HA -0.145 4.206 4.350 0.001 0.000 0.194 397 E C 1.847 178.529 176.600 0.137 0.000 0.997 397 E CA 0.828 57.325 56.400 0.161 0.000 0.801 397 E CB -0.463 29.308 29.700 0.118 0.000 0.746 397 E HN 0.598 nan 8.360 nan 0.000 0.450 398 W N -0.136 121.107 121.300 -0.096 0.000 2.305 398 W HA -0.276 4.384 4.660 0.000 0.000 0.308 398 W C 1.765 178.080 176.519 -0.340 0.000 1.226 398 W CA 2.068 59.255 57.345 -0.263 0.000 1.253 398 W CB -0.529 28.666 29.460 -0.440 0.000 1.146 398 W HN 0.107 nan 8.180 nan 0.000 0.507 399 F N -0.146 119.907 119.950 0.172 0.000 2.128 399 F HA -0.107 4.421 4.527 0.001 0.000 0.295 399 F C 2.596 178.434 175.800 0.063 0.000 1.100 399 F CA 1.571 59.507 58.000 -0.107 0.000 1.260 399 F CB -1.424 37.305 39.000 -0.451 0.000 1.009 399 F HN -0.083 nan 8.300 nan 0.000 0.476 400 A N -0.048 122.928 122.820 0.260 0.000 2.024 400 A HA -0.211 4.110 4.320 0.001 0.000 0.220 400 A C 1.905 179.543 177.584 0.089 0.000 1.164 400 A CA 1.843 53.996 52.037 0.194 0.000 0.643 400 A CB -0.724 18.360 19.000 0.139 0.000 0.806 400 A HN 0.500 nan 8.150 nan 0.000 0.451 401 E N -1.390 118.805 120.200 -0.008 0.000 2.478 401 E HA 0.047 4.397 4.350 0.001 0.000 0.194 401 E C 0.776 177.287 176.600 -0.148 0.000 1.045 401 E CA 0.108 56.452 56.400 -0.093 0.000 0.868 401 E CB 0.167 29.777 29.700 -0.150 0.000 0.885 401 E HN 0.457 nan 8.360 nan 0.000 0.505 402 R N -0.462 119.970 120.500 -0.112 0.000 2.700 402 R HA 0.177 4.518 4.340 0.001 0.000 0.399 402 R C 0.290 176.678 176.300 0.146 0.000 1.115 402 R CA 0.238 56.280 56.100 -0.096 0.000 1.058 402 R CB 1.192 31.262 30.300 -0.384 0.000 1.389 402 R HN 0.175 nan 8.270 nan 0.000 0.582 403 G N -0.056 108.822 108.800 0.130 0.000 2.148 403 G HA2 -0.248 3.713 3.960 0.001 0.000 0.203 403 G HA3 -0.248 3.713 3.960 0.001 0.000 0.203 403 G C -0.163 174.707 174.900 -0.051 0.000 0.993 403 G CA -0.664 44.442 45.100 0.011 0.000 0.661 403 G HN 0.214 nan 8.290 nan 0.000 0.518 404 F N 0.965 120.934 119.950 0.032 0.000 2.421 404 F HA 0.655 5.183 4.527 0.002 0.000 0.337 404 F C 0.661 176.469 175.800 0.013 0.000 1.105 404 F CA -0.776 57.247 58.000 0.038 0.000 1.049 404 F CB 1.596 40.673 39.000 0.128 0.000 1.139 404 F HN 0.049 nan 8.300 nan 0.000 0.479 405 Q N 0.722 120.584 119.800 0.105 0.000 2.274 405 Q HA 0.318 4.658 4.340 0.001 0.000 0.260 405 Q C -0.099 175.938 176.000 0.062 0.000 0.974 405 Q CA -0.951 54.884 55.803 0.054 0.000 0.876 405 Q CB 1.594 30.323 28.738 -0.014 0.000 1.297 405 Q HN 0.611 nan 8.270 nan 0.000 0.446 406 T N 0.793 115.377 114.554 0.050 0.000 2.923 406 T HA 0.294 4.644 4.350 0.001 0.000 0.304 406 T C -0.474 174.238 174.700 0.021 0.000 1.044 406 T CA 0.323 62.443 62.100 0.032 0.000 1.141 406 T CB -0.030 68.836 68.868 -0.003 0.000 1.023 406 T HN 0.638 nan 8.240 nan 0.000 0.533 407 A N 3.852 126.695 122.820 0.038 0.000 2.485 407 A HA 0.782 5.103 4.320 0.001 0.000 0.292 407 A C 0.126 177.724 177.584 0.023 0.000 1.147 407 A CA -0.411 51.648 52.037 0.038 0.000 0.750 407 A CB 1.715 20.764 19.000 0.081 0.000 1.331 407 A HN 1.160 nan 8.150 nan 0.000 0.419 408 S N -0.976 114.726 115.700 0.002 0.000 2.722 408 S HA 0.328 4.799 4.470 0.001 0.000 0.292 408 S C 0.848 175.379 174.600 -0.114 0.000 1.135 408 S CA 0.469 58.641 58.200 -0.046 0.000 1.003 408 S CB 1.296 64.474 63.200 -0.036 0.000 1.067 408 S HN 0.929 nan 8.310 nan 0.000 0.546 409 E N 0.560 120.637 120.200 -0.205 0.000 2.106 409 E HA -0.201 4.149 4.350 0.001 0.000 0.192 409 E C 0.542 177.006 176.600 -0.227 0.000 0.984 409 E CA 1.446 57.636 56.400 -0.350 0.000 0.806 409 E CB -0.382 29.070 29.700 -0.412 0.000 0.750 409 E HN 0.739 nan 8.360 nan 0.000 0.458 410 D N 0.784 121.103 120.400 -0.136 0.000 2.351 410 D HA -0.113 4.528 4.640 0.001 0.000 0.216 410 D C 1.172 177.422 176.300 -0.083 0.000 0.968 410 D CA 0.769 54.712 54.000 -0.096 0.000 0.899 410 D CB 0.025 40.788 40.800 -0.061 0.000 0.907 410 D HN 0.453 nan 8.370 nan 0.000 0.514 411 E N -0.273 119.885 120.200 -0.071 0.000 2.442 411 E HA 0.068 4.419 4.350 0.001 0.000 0.195 411 E C 0.607 177.166 176.600 -0.068 0.000 1.030 411 E CA -0.179 56.214 56.400 -0.012 0.000 0.869 411 E CB 0.444 30.187 29.700 0.071 0.000 0.857 411 E HN 0.234 nan 8.360 nan 0.000 0.505 412 L N 2.002 123.069 121.223 -0.259 0.000 2.482 412 L HA 0.101 4.442 4.340 0.001 0.000 0.273 412 L C -2.057 174.483 176.870 -0.551 0.000 1.228 412 L CA -1.859 52.623 54.840 -0.597 0.000 0.827 412 L CB -0.302 41.425 42.059 -0.553 0.000 1.099 412 L HN -0.199 nan 8.230 nan 0.000 0.494 413 P HA -0.030 nan 4.420 nan 0.000 0.265 413 P C 0.218 177.264 177.300 -0.424 0.000 1.187 413 P CA 0.117 62.850 63.100 -0.612 0.000 0.766 413 P CB 0.501 31.551 31.700 -1.085 0.000 0.820 414 E N 1.072 121.131 120.200 -0.236 0.000 2.065 414 E HA -0.253 4.097 4.350 0.001 0.000 0.201 414 E C 1.737 178.267 176.600 -0.117 0.000 1.016 414 E CA 2.410 58.723 56.400 -0.144 0.000 0.818 414 E CB -0.401 29.252 29.700 -0.079 0.000 0.749 414 E HN 0.660 nan 8.360 nan 0.000 0.453 415 T N -0.633 113.871 114.554 -0.083 0.000 2.788 415 T HA -0.171 4.180 4.350 0.001 0.000 0.268 415 T C 1.896 176.574 174.700 -0.036 0.000 1.044 415 T CA 1.294 63.382 62.100 -0.020 0.000 1.139 415 T CB -0.150 68.756 68.868 0.063 0.000 0.867 415 T HN -0.056 nan 8.240 nan 0.000 0.454 416 R N 1.438 121.848 120.500 -0.151 0.000 2.075 416 R HA 0.147 4.488 4.340 0.001 0.000 0.232 416 R C 2.676 178.911 176.300 -0.107 0.000 1.126 416 R CA 1.472 57.478 56.100 -0.157 0.000 0.963 416 R CB -0.781 29.234 30.300 -0.475 0.000 0.858 416 R HN 0.494 nan 8.270 nan 0.000 0.435 417 R N 0.042 120.432 120.500 -0.182 0.000 2.103 417 R HA -0.226 4.115 4.340 0.001 0.000 0.242 417 R C 1.849 178.145 176.300 -0.008 0.000 1.142 417 R CA 2.195 58.221 56.100 -0.123 0.000 0.960 417 R CB -0.188 30.015 30.300 -0.161 0.000 0.858 417 R HN 0.045 nan 8.270 nan 0.000 0.439 418 K N 0.676 121.067 120.400 -0.015 0.000 2.001 418 K HA -0.123 4.198 4.320 0.001 0.000 0.208 418 K C 1.516 178.139 176.600 0.038 0.000 1.048 418 K CA 2.148 58.443 56.287 0.013 0.000 0.932 418 K CB -0.234 32.266 32.500 0.000 0.000 0.715 418 K HN 0.174 nan 8.250 nan 0.000 0.437 419 D N -0.365 120.056 120.400 0.036 0.000 2.106 419 D HA -0.242 4.398 4.640 0.001 0.000 0.191 419 D C 1.877 178.213 176.300 0.060 0.000 0.997 419 D CA 1.527 55.549 54.000 0.037 0.000 0.834 419 D CB -0.703 40.118 40.800 0.035 0.000 0.956 419 D HN 0.320 nan 8.370 nan 0.000 0.448 420 Y N 1.960 122.236 120.300 -0.040 0.000 2.081 420 Y HA -0.301 4.249 4.550 0.001 0.000 0.280 420 Y C 2.536 178.423 175.900 -0.022 0.000 1.163 420 Y CA 2.032 60.112 58.100 -0.034 0.000 1.135 420 Y CB -0.006 38.423 38.460 -0.051 0.000 0.970 420 Y HN -0.126 nan 8.280 nan 0.000 0.498 421 R N -0.228 120.430 120.500 0.264 0.000 2.096 421 R HA -0.197 4.144 4.340 0.001 0.000 0.240 421 R C 2.526 178.849 176.300 0.037 0.000 1.139 421 R CA 2.052 58.241 56.100 0.150 0.000 0.952 421 R CB -0.816 29.547 30.300 0.104 0.000 0.854 421 R HN 0.501 nan 8.270 nan 0.000 0.436 422 S N -0.003 115.708 115.700 0.019 0.000 2.461 422 S HA -0.048 4.423 4.470 0.001 0.000 0.228 422 S C 1.518 176.099 174.600 -0.032 0.000 1.005 422 S CA 0.783 58.980 58.200 -0.004 0.000 0.942 422 S CB -0.334 62.868 63.200 0.003 0.000 0.776 422 S HN 0.343 nan 8.310 nan 0.000 0.514 423 N N 1.729 120.390 118.700 -0.065 0.000 2.091 423 N HA -0.075 4.666 4.740 0.001 0.000 0.193 423 N C 1.485 176.933 175.510 -0.103 0.000 1.021 423 N CA 1.161 54.151 53.050 -0.100 0.000 0.862 423 N CB -0.502 37.870 38.487 -0.193 0.000 1.018 423 N HN 0.688 nan 8.380 nan 0.000 0.429 424 G N 0.309 109.035 108.800 -0.122 0.000 2.212 424 G HA2 -0.370 3.591 3.960 0.001 0.000 0.266 424 G HA3 -0.370 3.591 3.960 0.001 0.000 0.266 424 G C 0.982 175.801 174.900 -0.134 0.000 0.978 424 G CA 0.761 45.801 45.100 -0.101 0.000 0.632 424 G HN 0.367 nan 8.290 nan 0.000 0.537 425 R N 0.018 120.398 120.500 -0.200 0.000 2.189 425 R HA 0.066 4.407 4.340 0.001 0.000 0.218 425 R C 1.353 177.525 176.300 -0.214 0.000 1.074 425 R CA 0.604 56.591 56.100 -0.189 0.000 0.991 425 R CB -0.255 29.933 30.300 -0.187 0.000 0.883 425 R HN 0.401 nan 8.270 nan 0.000 0.457 426 N N 0.586 119.087 118.700 -0.332 0.000 2.710 426 N HA -0.150 4.591 4.740 0.001 0.000 0.249 426 N C -1.100 174.385 175.510 -0.042 0.000 1.059 426 N CA 0.889 53.837 53.050 -0.171 0.000 0.720 426 N CB -0.784 37.696 38.487 -0.012 0.000 0.983 426 N HN 0.164 nan 8.380 nan 0.000 0.544 427 S N -0.463 115.158 115.700 -0.133 0.000 2.573 427 S HA 0.013 4.484 4.470 0.001 0.000 0.277 427 S C 0.351 175.108 174.600 0.262 0.000 1.346 427 S CA -0.247 57.963 58.200 0.015 0.000 1.034 427 S CB 0.489 63.702 63.200 0.021 0.000 0.879 427 S HN 0.293 nan 8.310 nan 0.000 0.528 428 H N 0.200 119.361 119.070 0.152 0.000 2.652 428 H HA 0.391 4.947 4.556 0.001 0.000 0.349 428 H C 0.017 175.430 175.328 0.141 0.000 1.099 428 H CA -0.563 55.571 56.048 0.144 0.000 1.417 428 H CB 0.558 30.387 29.762 0.111 0.000 1.457 428 H HN 0.443 nan 8.280 nan 0.000 0.568 429 I N 3.723 124.441 120.570 0.246 0.000 2.406 429 I HA 0.327 4.497 4.170 0.001 0.000 0.290 429 I C -1.719 174.488 176.117 0.150 0.000 0.999 429 I CA -0.340 61.066 61.300 0.176 0.000 1.124 429 I CB 0.682 38.748 38.000 0.111 0.000 1.289 429 I HN 0.358 nan 8.210 nan 0.000 0.441 430 L N 7.181 128.498 121.223 0.156 0.000 2.370 430 L HA 0.778 5.119 4.340 0.001 0.000 0.266 430 L C -0.886 176.094 176.870 0.182 0.000 1.002 430 L CA -0.812 54.134 54.840 0.177 0.000 0.818 430 L CB 2.116 44.304 42.059 0.216 0.000 1.325 430 L HN 0.368 nan 8.230 nan 0.000 0.418 431 V N 1.532 121.465 119.914 0.032 0.000 2.656 431 V HA 0.585 4.706 4.120 0.001 0.000 0.307 431 V C -0.484 175.398 176.094 -0.355 0.000 1.051 431 V CA -0.722 61.381 62.300 -0.329 0.000 0.893 431 V CB 2.039 33.466 31.823 -0.660 0.000 0.999 431 V HN 0.693 nan 8.190 nan 0.000 0.426 432 R N 3.100 123.193 120.500 -0.679 0.000 2.437 432 R HA 0.542 4.883 4.340 0.001 0.000 0.310 432 R C -0.484 175.558 176.300 -0.430 0.000 0.955 432 R CA -0.752 54.878 56.100 -0.783 0.000 0.851 432 R CB 1.270 30.663 30.300 -1.512 0.000 1.161 432 R HN 0.681 nan 8.270 nan 0.000 0.446 433 R N 4.922 125.255 120.500 -0.277 0.000 2.234 433 R HA 0.259 4.600 4.340 0.001 0.000 0.324 433 R C -0.506 175.763 176.300 -0.053 0.000 1.054 433 R CA -0.320 55.696 56.100 -0.141 0.000 0.912 433 R CB 0.734 30.989 30.300 -0.075 0.000 1.030 433 R HN 0.440 nan 8.270 nan 0.000 0.455 434 L N 4.000 125.199 121.223 -0.041 0.000 2.275 434 L HA 0.305 4.646 4.340 0.001 0.000 0.288 434 L C 0.114 177.017 176.870 0.054 0.000 1.046 434 L CA -0.793 54.052 54.840 0.009 0.000 0.805 434 L CB 0.803 42.854 42.059 -0.012 0.000 1.193 434 L HN 0.436 nan 8.230 nan 0.000 0.426 435 H N 2.987 122.027 119.070 -0.050 0.000 2.562 435 H HA 0.257 4.815 4.556 0.002 0.000 0.352 435 H C 0.116 175.428 175.328 -0.025 0.000 1.125 435 H CA -0.256 55.770 56.048 -0.037 0.000 1.379 435 H CB 0.806 30.548 29.762 -0.034 0.000 1.464 435 H HN 0.490 nan 8.280 nan 0.000 0.563 436 R N 0.000 120.473 120.500 -0.044 0.000 2.786 436 R HA 0.000 4.341 4.340 0.001 0.000 0.208 436 R CA 0.000 56.085 56.100 -0.025 0.000 0.921 436 R CB 0.000 30.263 30.300 -0.062 0.000 0.687 436 R HN 0.000 nan 8.270 nan 0.000 0.535