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 3lc6_1_A DATA FIRST_RESID 3 DATA SEQUENCE RGLELLIAQT ILQGFDAQYG RFLEVTSGAQ QRFEQADWHA VQQAMKNRIH DATA SEQUENCE LYDHHVGLVV EQLRCITNGQ STDAEFLLRV KEHYTRLLPD YPRFEIAESF DATA SEQUENCE FNSVYCRLFD HRSLTPERLF IFSSQPERRF RTIPRPLAKD FHPDHGWESL DATA SEQUENCE LMRVISDLPL RLHWQNKSRD IHYIIRHLTE TXXXXXLSKS HLQVANELFY DATA SEQUENCE RNKAAWLVGK LITPSGTLPF LLPIHQTDDG ELFIDTCLTT TAEASIVFGF DATA SEQUENCE ARSYFMVYAP LPAALVEWLR EILPGKTTAE LYMAIGCQKH AKTESYREYL DATA SEQUENCE VYLQGCNEQF IEAPGIRGMV MLVFTLPGFD RVFKVIKDKF APQKEMSAAH DATA SEQUENCE VRACYQLVKE HDRVGRMADT QEFENFVLEK RHISPALMEL LLQEAAEKIT DATA SEQUENCE DLGEQIVIRH LYIERRMVPL NIWLEQVEGQ QLRDAIEEYG NAIRQLAAAN DATA SEQUENCE IFPGDMLFKN FGVTRHGRVV FYDYDEICYM TEVNFRDIPX XXXXXXXXXX DATA SEQUENCE XXXXXXSPGD VFPEEFRHWL CADPRIGPLF EEMHADLFRA DYWRALQNRI DATA SEQUENCE REGHVEDVYA YRRRQRFSV 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.326 176.300 0.043 0.000 0.893 3 R CA 0.000 56.121 56.100 0.035 0.000 0.921 3 R CB 0.000 30.309 30.300 0.016 0.000 0.687 4 G N 2.366 111.194 108.800 0.047 0.000 3.356 4 G HA2 -0.009 3.953 3.960 0.004 0.000 0.239 4 G HA3 -0.009 3.953 3.960 0.004 0.000 0.239 4 G C 0.856 175.779 174.900 0.039 0.000 1.252 4 G CA -0.065 45.067 45.100 0.053 0.000 1.611 4 G HN 0.369 nan 8.290 nan 0.000 0.580 5 L N 0.547 121.788 121.223 0.030 0.000 2.044 5 L HA 0.060 4.402 4.340 0.004 0.000 0.205 5 L C 2.127 179.045 176.870 0.080 0.000 1.075 5 L CA 1.815 56.683 54.840 0.047 0.000 0.747 5 L CB -0.135 41.937 42.059 0.022 0.000 0.903 5 L HN 0.412 nan 8.230 nan 0.000 0.435 6 E N -0.817 119.404 120.200 0.034 0.000 2.423 6 E HA 0.015 4.368 4.350 0.004 0.000 0.198 6 E C 1.074 177.568 176.600 -0.176 0.000 1.038 6 E CA 0.103 56.498 56.400 -0.009 0.000 1.011 6 E CB 0.106 29.841 29.700 0.059 0.000 1.118 6 E HN 0.447 nan 8.360 nan 0.000 0.451 7 L N -0.408 120.783 121.223 -0.054 0.000 2.806 7 L HA 0.184 4.526 4.340 0.004 0.000 0.242 7 L C 1.567 178.487 176.870 0.084 0.000 1.068 7 L CA 0.222 55.102 54.840 0.066 0.000 0.923 7 L CB -0.087 42.084 42.059 0.186 0.000 1.364 7 L HN 0.146 nan 8.230 nan 0.000 0.511 8 L N 0.613 121.876 121.223 0.067 0.000 2.043 8 L HA -0.193 4.149 4.340 0.004 0.000 0.212 8 L C 2.259 179.177 176.870 0.080 0.000 1.075 8 L CA 2.116 56.996 54.840 0.067 0.000 0.752 8 L CB -0.707 41.387 42.059 0.058 0.000 0.891 8 L HN 0.307 nan 8.230 nan 0.000 0.432 9 I N -0.536 120.088 120.570 0.090 0.000 2.076 9 I HA -0.324 3.848 4.170 0.004 0.000 0.237 9 I C 2.567 178.773 176.117 0.148 0.000 1.059 9 I CA 1.430 62.794 61.300 0.108 0.000 1.317 9 I CB -0.906 37.156 38.000 0.104 0.000 1.037 9 I HN 0.328 nan 8.210 nan 0.000 0.398 10 A N -0.101 122.825 122.820 0.177 0.000 2.024 10 A HA -0.285 4.037 4.320 0.004 0.000 0.220 10 A C 2.238 179.915 177.584 0.155 0.000 1.164 10 A CA 1.802 54.008 52.037 0.281 0.000 0.643 10 A CB -0.676 18.506 19.000 0.305 0.000 0.806 10 A HN 0.521 nan 8.150 nan 0.000 0.451 11 Q N -1.376 118.481 119.800 0.095 0.000 2.230 11 Q HA -0.075 4.267 4.340 0.004 0.000 0.202 11 Q C 1.950 177.988 176.000 0.063 0.000 0.963 11 Q CA 1.665 57.495 55.803 0.045 0.000 0.866 11 Q CB -0.018 28.748 28.738 0.046 0.000 0.931 11 Q HN 0.684 nan 8.270 nan 0.000 0.452 12 T N 0.433 115.045 114.554 0.098 0.000 2.851 12 T HA -0.017 4.335 4.350 0.004 0.000 0.262 12 T C 1.589 176.377 174.700 0.147 0.000 1.043 12 T CA 0.713 62.875 62.100 0.102 0.000 1.140 12 T CB -0.014 68.913 68.868 0.100 0.000 0.872 12 T HN 0.324 nan 8.240 nan 0.000 0.446 13 I N 0.535 121.242 120.570 0.228 0.000 3.111 13 I HA 0.080 4.252 4.170 0.004 0.000 0.272 13 I C 1.413 177.783 176.117 0.422 0.000 1.268 13 I CA 0.726 62.241 61.300 0.358 0.000 1.467 13 I CB 0.146 38.343 38.000 0.328 0.000 1.087 13 I HN 0.110 nan 8.210 nan 0.000 0.467 14 L N 0.603 121.996 121.223 0.283 0.000 2.640 14 L HA 0.112 4.454 4.340 0.004 0.000 0.230 14 L C 1.919 178.825 176.870 0.060 0.000 1.123 14 L CA 0.973 55.915 54.840 0.170 0.000 0.900 14 L CB -0.314 41.636 42.059 -0.181 0.000 1.146 14 L HN 0.469 nan 8.230 nan 0.000 0.484 15 Q N -2.889 116.906 119.800 -0.009 0.000 2.352 15 Q HA 0.221 4.563 4.340 0.004 0.000 0.212 15 Q C 1.642 177.524 176.000 -0.196 0.000 0.888 15 Q CA 0.677 56.426 55.803 -0.089 0.000 0.934 15 Q CB -0.230 28.487 28.738 -0.034 0.000 1.093 15 Q HN 0.232 nan 8.270 nan 0.000 0.523 16 G N 1.449 110.121 108.800 -0.214 0.000 2.414 16 G HA2 -0.265 3.697 3.960 0.004 0.000 0.215 16 G HA3 -0.265 3.697 3.960 0.004 0.000 0.215 16 G C 1.130 175.431 174.900 -0.998 0.000 1.188 16 G CA 0.821 45.686 45.100 -0.392 0.000 0.783 16 G HN 0.442 nan 8.290 nan 0.000 0.537 17 F N 2.124 121.211 119.950 -1.439 0.000 2.046 17 F HA -0.102 4.428 4.527 0.004 0.000 0.297 17 F C 2.074 177.594 175.800 -0.467 0.000 1.123 17 F CA 2.048 59.408 58.000 -1.068 0.000 1.199 17 F CB -0.681 38.021 39.000 -0.496 0.000 0.972 17 F HN 0.101 nan 8.300 nan 0.000 0.474 18 D N 0.633 120.302 120.400 -1.218 0.000 2.190 18 D HA -0.209 4.433 4.640 0.004 0.000 0.200 18 D C 2.292 178.175 176.300 -0.696 0.000 0.992 18 D CA 1.571 54.865 54.000 -1.176 0.000 0.854 18 D CB -0.392 40.114 40.800 -0.491 0.000 0.936 18 D HN 0.471 nan 8.370 nan 0.000 0.462 19 A N 1.102 123.575 122.820 -0.579 0.000 1.840 19 A HA -0.219 4.103 4.320 0.004 0.000 0.214 19 A C 2.150 179.263 177.584 -0.786 0.000 1.198 19 A CA 2.133 53.842 52.037 -0.547 0.000 0.608 19 A CB -0.784 17.942 19.000 -0.457 0.000 0.839 19 A HN 0.251 nan 8.150 nan 0.000 0.443 20 Q N -1.107 118.108 119.800 -0.976 0.000 2.173 20 Q HA -0.249 4.093 4.340 0.004 0.000 0.208 20 Q C 1.712 177.615 176.000 -0.162 0.000 0.989 20 Q CA 2.568 58.006 55.803 -0.608 0.000 0.872 20 Q CB -0.943 27.699 28.738 -0.161 0.000 0.909 20 Q HN 0.720 nan 8.270 nan 0.000 0.420 21 Y N 0.264 120.366 120.300 -0.331 0.000 2.475 21 Y HA 0.199 4.751 4.550 0.004 0.000 0.289 21 Y C 2.201 178.052 175.900 -0.082 0.000 1.121 21 Y CA 0.427 58.431 58.100 -0.161 0.000 1.257 21 Y CB -0.155 38.134 38.460 -0.286 0.000 1.026 21 Y HN 0.324 nan 8.280 nan 0.000 0.555 22 G N 0.270 109.056 108.800 -0.023 0.000 2.491 22 G HA2 -0.333 3.629 3.960 0.004 0.000 0.218 22 G HA3 -0.333 3.629 3.960 0.004 0.000 0.218 22 G C 1.685 176.647 174.900 0.102 0.000 1.180 22 G CA 1.026 46.131 45.100 0.008 0.000 0.774 22 G HN 0.319 nan 8.290 nan 0.000 0.562 23 R N -1.025 119.550 120.500 0.124 0.000 2.246 23 R HA 0.153 4.495 4.340 0.004 0.000 0.199 23 R C 2.097 178.496 176.300 0.164 0.000 0.984 23 R CA -0.010 56.186 56.100 0.159 0.000 1.015 23 R CB -0.252 30.174 30.300 0.210 0.000 0.930 23 R HN 0.339 nan 8.270 nan 0.000 0.475 24 F N 1.532 121.485 119.950 0.004 0.000 2.063 24 F HA -0.272 4.256 4.527 0.003 0.000 0.298 24 F C 1.348 177.137 175.800 -0.018 0.000 1.109 24 F CA 1.841 59.798 58.000 -0.072 0.000 1.212 24 F CB -0.072 38.723 39.000 -0.341 0.000 0.973 24 F HN 0.008 nan 8.300 nan 0.000 0.480 25 L N -1.137 120.166 121.223 0.133 0.000 2.558 25 L HA 0.176 4.519 4.340 0.004 0.000 0.225 25 L C 1.661 178.695 176.870 0.273 0.000 1.128 25 L CA 0.760 55.689 54.840 0.147 0.000 0.868 25 L CB -1.399 40.738 42.059 0.130 0.000 1.006 25 L HN 0.113 nan 8.230 nan 0.000 0.454 26 E N 0.627 120.922 120.200 0.159 0.000 2.122 26 E HA -0.062 4.290 4.350 0.004 0.000 0.190 26 E C 2.182 178.799 176.600 0.029 0.000 0.977 26 E CA 0.986 57.448 56.400 0.103 0.000 0.820 26 E CB 0.055 29.803 29.700 0.079 0.000 0.770 26 E HN 0.392 nan 8.360 nan 0.000 0.462 27 V N 1.117 121.023 119.914 -0.014 0.000 2.237 27 V HA -0.254 3.868 4.120 0.004 0.000 0.245 27 V C 2.290 178.326 176.094 -0.098 0.000 1.046 27 V CA 2.200 64.458 62.300 -0.071 0.000 1.007 27 V CB -1.171 30.587 31.823 -0.109 0.000 0.638 27 V HN 0.279 nan 8.190 nan 0.000 0.445 28 T N 0.330 114.797 114.554 -0.144 0.000 2.869 28 T HA -0.175 4.177 4.350 0.004 0.000 0.270 28 T C 1.633 176.336 174.700 0.006 0.000 1.082 28 T CA 1.801 63.835 62.100 -0.110 0.000 1.123 28 T CB -0.338 68.441 68.868 -0.149 0.000 0.856 28 T HN 0.627 nan 8.240 nan 0.000 0.499 29 S N 0.417 116.135 115.700 0.029 0.000 2.573 29 S HA 0.409 4.881 4.470 0.004 0.000 0.244 29 S C 1.491 176.037 174.600 -0.089 0.000 0.984 29 S CA -0.104 58.077 58.200 -0.032 0.000 1.001 29 S CB -0.013 63.125 63.200 -0.103 0.000 0.788 29 S HN 0.457 nan 8.310 nan 0.000 0.456 30 G N -0.283 108.454 108.800 -0.105 0.000 3.192 30 G HA2 0.482 4.444 3.960 0.004 0.000 0.239 30 G HA3 0.482 4.444 3.960 0.004 0.000 0.239 30 G C 1.056 175.837 174.900 -0.197 0.000 1.084 30 G CA 0.297 45.320 45.100 -0.128 0.000 0.784 30 G HN 0.601 nan 8.290 nan 0.000 0.540 31 A N -0.060 122.598 122.820 -0.271 0.000 2.178 31 A HA 0.200 4.522 4.320 0.004 0.000 0.211 31 A C 1.929 179.031 177.584 -0.803 0.000 1.157 31 A CA 1.085 52.834 52.037 -0.480 0.000 0.780 31 A CB -0.047 18.660 19.000 -0.488 0.000 0.828 31 A HN 0.377 nan 8.150 nan 0.000 0.476 32 Q N -0.581 118.905 119.800 -0.522 0.000 2.033 32 Q HA -0.190 4.152 4.340 0.004 0.000 0.196 32 Q C 2.273 178.217 176.000 -0.093 0.000 0.970 32 Q CA 1.560 57.216 55.803 -0.245 0.000 0.828 32 Q CB -0.134 28.613 28.738 0.015 0.000 0.895 32 Q HN 0.819 nan 8.270 nan 0.000 0.440 33 Q N 0.382 120.109 119.800 -0.121 0.000 2.050 33 Q HA -0.176 4.166 4.340 0.004 0.000 0.202 33 Q C 1.731 177.629 176.000 -0.170 0.000 0.980 33 Q CA 1.440 57.172 55.803 -0.118 0.000 0.840 33 Q CB 0.018 28.688 28.738 -0.113 0.000 0.898 33 Q HN 0.254 nan 8.270 nan 0.000 0.424 34 R N -0.711 119.660 120.500 -0.214 0.000 2.377 34 R HA -0.100 4.243 4.340 0.004 0.000 0.207 34 R C 1.554 177.621 176.300 -0.388 0.000 1.075 34 R CA 0.721 56.645 56.100 -0.293 0.000 1.035 34 R CB -0.120 30.015 30.300 -0.274 0.000 0.857 34 R HN 0.309 nan 8.270 nan 0.000 0.475 35 F N 1.168 120.864 119.950 -0.423 0.000 2.500 35 F HA 0.065 4.594 4.527 0.003 0.000 0.285 35 F C 2.408 178.034 175.800 -0.291 0.000 1.088 35 F CA 0.497 58.277 58.000 -0.365 0.000 1.432 35 F CB 0.103 39.016 39.000 -0.145 0.000 1.131 35 F HN -0.143 nan 8.300 nan 0.000 0.582 36 E N 0.858 120.902 120.200 -0.260 0.000 2.006 36 E HA -0.187 4.165 4.350 0.004 0.000 0.192 36 E C 0.691 177.095 176.600 -0.326 0.000 0.993 36 E CA 0.654 56.871 56.400 -0.305 0.000 0.808 36 E CB -0.658 28.939 29.700 -0.172 0.000 0.764 36 E HN 0.391 nan 8.360 nan 0.000 0.449 37 Q N -0.463 119.173 119.800 -0.272 0.000 2.394 37 Q HA 0.008 4.350 4.340 0.004 0.000 0.303 37 Q C -0.202 175.557 176.000 -0.403 0.000 1.117 37 Q CA 0.474 56.116 55.803 -0.268 0.000 0.966 37 Q CB 0.639 29.236 28.738 -0.235 0.000 1.275 37 Q HN 0.325 nan 8.270 nan 0.000 0.429 38 A N 3.169 125.787 122.820 -0.336 0.000 2.532 38 A HA 0.056 4.378 4.320 0.004 0.000 0.273 38 A C -0.316 177.012 177.584 -0.426 0.000 1.342 38 A CA -0.177 51.616 52.037 -0.408 0.000 0.929 38 A CB 0.192 19.081 19.000 -0.184 0.000 1.051 38 A HN 0.549 nan 8.150 nan 0.000 0.521 39 D N -0.118 119.998 120.400 -0.474 0.000 2.485 39 D HA 0.141 4.783 4.640 0.004 0.000 0.221 39 D C 0.151 176.238 176.300 -0.356 0.000 1.112 39 D CA -0.338 53.480 54.000 -0.303 0.000 0.911 39 D CB 0.115 40.810 40.800 -0.175 0.000 1.019 39 D HN 0.506 nan 8.370 nan 0.000 0.516 40 W N 1.387 122.597 121.300 -0.151 0.000 3.290 40 W HA 0.033 4.696 4.660 0.004 0.000 0.287 40 W C 1.310 177.734 176.519 -0.159 0.000 1.288 40 W CA -0.048 57.203 57.345 -0.157 0.000 1.725 40 W CB -0.098 29.250 29.460 -0.186 0.000 1.103 40 W HN 0.656 nan 8.180 nan 0.000 0.670 41 H N 0.014 119.138 119.070 0.090 0.000 2.387 41 H HA -0.112 4.446 4.556 0.003 0.000 0.299 41 H C 2.388 177.705 175.328 -0.017 0.000 1.090 41 H CA 1.951 58.008 56.048 0.014 0.000 1.332 41 H CB 0.045 29.800 29.762 -0.011 0.000 1.386 41 H HN 0.003 nan 8.280 nan 0.000 0.516 42 A N 0.289 123.148 122.820 0.065 0.000 1.929 42 A HA -0.093 4.229 4.320 0.004 0.000 0.216 42 A C 2.516 180.080 177.584 -0.033 0.000 1.176 42 A CA 1.182 53.208 52.037 -0.019 0.000 0.628 42 A CB -0.603 18.346 19.000 -0.085 0.000 0.816 42 A HN 0.236 nan 8.150 nan 0.000 0.444 43 V N 0.159 120.066 119.914 -0.012 0.000 2.427 43 V HA -0.195 3.927 4.120 0.004 0.000 0.248 43 V C 2.524 178.641 176.094 0.039 0.000 1.051 43 V CA 1.898 64.223 62.300 0.042 0.000 1.048 43 V CB -0.539 31.427 31.823 0.237 0.000 0.666 43 V HN 0.550 nan 8.190 nan 0.000 0.456 44 Q N -0.558 119.269 119.800 0.044 0.000 2.378 44 Q HA -0.074 4.268 4.340 0.004 0.000 0.205 44 Q C 1.885 177.845 176.000 -0.067 0.000 0.954 44 Q CA 0.956 56.739 55.803 -0.034 0.000 0.901 44 Q CB -0.141 28.567 28.738 -0.051 0.000 0.981 44 Q HN 0.668 nan 8.270 nan 0.000 0.483 45 Q N -0.939 118.837 119.800 -0.039 0.000 2.282 45 Q HA 0.271 4.613 4.340 0.004 0.000 0.206 45 Q C 1.287 177.252 176.000 -0.058 0.000 0.878 45 Q CA 0.346 56.120 55.803 -0.049 0.000 0.944 45 Q CB 0.615 29.336 28.738 -0.028 0.000 1.100 45 Q HN 0.271 nan 8.270 nan 0.000 0.509 46 A N 1.269 124.050 122.820 -0.065 0.000 1.911 46 A HA -0.119 4.203 4.320 0.004 0.000 0.212 46 A C 2.180 179.706 177.584 -0.096 0.000 1.189 46 A CA 0.771 52.762 52.037 -0.076 0.000 0.639 46 A CB -0.381 18.572 19.000 -0.078 0.000 0.839 46 A HN 0.420 nan 8.150 nan 0.000 0.449 47 M N -0.346 119.195 119.600 -0.097 0.000 2.073 47 M HA -0.204 4.278 4.480 0.004 0.000 0.258 47 M C 1.775 177.981 176.300 -0.157 0.000 1.070 47 M CA 2.463 57.700 55.300 -0.105 0.000 1.103 47 M CB -0.831 31.704 32.600 -0.107 0.000 1.321 47 M HN 0.118 nan 8.290 nan 0.000 0.405 48 K N 0.409 120.702 120.400 -0.178 0.000 2.228 48 K HA -0.140 4.182 4.320 0.004 0.000 0.205 48 K C 1.510 177.875 176.600 -0.391 0.000 1.045 48 K CA 1.651 57.771 56.287 -0.279 0.000 0.931 48 K CB -0.414 32.018 32.500 -0.113 0.000 0.727 48 K HN 0.515 nan 8.250 nan 0.000 0.458 49 N N -0.021 118.574 118.700 -0.175 0.000 2.395 49 N HA -0.016 4.726 4.740 0.004 0.000 0.175 49 N C 1.444 176.916 175.510 -0.064 0.000 1.029 49 N CA 0.551 53.552 53.050 -0.081 0.000 0.897 49 N CB 0.111 38.578 38.487 -0.032 0.000 0.991 49 N HN 0.139 nan 8.380 nan 0.000 0.441 50 R N 0.593 121.044 120.500 -0.082 0.000 2.090 50 R HA 0.125 4.467 4.340 0.004 0.000 0.228 50 R C 1.744 178.097 176.300 0.088 0.000 1.110 50 R CA 0.622 56.731 56.100 0.016 0.000 0.973 50 R CB -0.051 30.228 30.300 -0.036 0.000 0.869 50 R HN 0.169 nan 8.270 nan 0.000 0.440 51 I N -0.144 120.387 120.570 -0.066 0.000 2.493 51 I HA -0.221 3.951 4.170 0.004 0.000 0.254 51 I C 1.554 177.740 176.117 0.115 0.000 1.160 51 I CA 1.657 62.945 61.300 -0.021 0.000 1.445 51 I CB -0.985 36.919 38.000 -0.160 0.000 1.086 51 I HN 0.306 nan 8.210 nan 0.000 0.433 52 H N 0.195 119.344 119.070 0.132 0.000 2.399 52 H HA 0.072 4.630 4.556 0.003 0.000 0.300 52 H C 2.405 177.861 175.328 0.214 0.000 1.048 52 H CA 0.234 56.356 56.048 0.124 0.000 1.370 52 H CB 0.188 29.960 29.762 0.017 0.000 1.428 52 H HN 0.100 nan 8.280 nan 0.000 0.534 53 L N 0.294 121.726 121.223 0.349 0.000 2.021 53 L HA -0.306 4.036 4.340 0.004 0.000 0.215 53 L C 2.329 179.571 176.870 0.619 0.000 1.074 53 L CA 1.769 56.888 54.840 0.465 0.000 0.760 53 L CB -0.576 41.760 42.059 0.461 0.000 0.889 53 L HN 0.344 nan 8.230 nan 0.000 0.433 54 Y N 0.434 120.982 120.300 0.414 0.000 2.081 54 Y HA -0.392 4.161 4.550 0.005 0.000 0.280 54 Y C 2.490 178.624 175.900 0.390 0.000 1.163 54 Y CA 2.086 60.439 58.100 0.421 0.000 1.135 54 Y CB -0.076 38.554 38.460 0.283 0.000 0.970 54 Y HN 0.232 nan 8.280 nan 0.000 0.498 55 D N -1.299 119.450 120.400 0.583 0.000 2.234 55 D HA -0.192 4.450 4.640 0.004 0.000 0.205 55 D C 2.030 178.511 176.300 0.301 0.000 0.962 55 D CA 1.075 55.305 54.000 0.383 0.000 0.855 55 D CB -0.517 40.448 40.800 0.274 0.000 0.951 55 D HN 0.558 nan 8.370 nan 0.000 0.500 56 H N -1.052 118.132 119.070 0.191 0.000 2.456 56 H HA -0.115 4.443 4.556 0.003 0.000 0.296 56 H C 1.172 176.467 175.328 -0.054 0.000 1.079 56 H CA 1.191 57.256 56.048 0.028 0.000 1.322 56 H CB 0.313 30.056 29.762 -0.031 0.000 1.388 56 H HN 0.339 nan 8.280 nan 0.000 0.538 57 H N -1.064 118.153 119.070 0.244 0.000 2.639 57 H HA -0.009 4.549 4.556 0.004 0.000 0.267 57 H C 2.294 177.854 175.328 0.385 0.000 0.958 57 H CA 0.796 56.980 56.048 0.227 0.000 1.221 57 H CB 0.496 30.395 29.762 0.228 0.000 1.446 57 H HN 0.275 nan 8.280 nan 0.000 0.512 58 V N 0.589 120.752 119.914 0.415 0.000 2.788 58 V HA 0.112 4.234 4.120 0.004 0.000 0.251 58 V C 1.947 178.101 176.094 0.100 0.000 1.068 58 V CA 1.566 63.958 62.300 0.153 0.000 1.090 58 V CB -0.438 31.255 31.823 -0.218 0.000 0.710 58 V HN 0.347 nan 8.190 nan 0.000 0.467 59 G N -0.435 108.418 108.800 0.089 0.000 3.279 59 G HA2 0.130 4.092 3.960 0.004 0.000 0.230 59 G HA3 0.130 4.092 3.960 0.004 0.000 0.230 59 G C 0.813 175.716 174.900 0.006 0.000 1.230 59 G CA 0.785 45.908 45.100 0.038 0.000 0.891 59 G HN 0.528 nan 8.290 nan 0.000 0.518 60 L N -0.478 120.764 121.223 0.031 0.000 2.678 60 L HA 0.298 4.640 4.340 0.004 0.000 0.211 60 L C 2.468 179.373 176.870 0.058 0.000 1.043 60 L CA 0.946 55.795 54.840 0.015 0.000 0.881 60 L CB -0.178 41.864 42.059 -0.028 0.000 1.361 60 L HN -0.001 nan 8.230 nan 0.000 0.484 61 V N -0.843 119.145 119.914 0.122 0.000 2.392 61 V HA -0.179 3.943 4.120 0.004 0.000 0.249 61 V C 2.127 178.273 176.094 0.086 0.000 1.059 61 V CA 2.341 64.723 62.300 0.136 0.000 1.051 61 V CB -0.567 31.402 31.823 0.243 0.000 0.658 61 V HN 0.247 nan 8.190 nan 0.000 0.455 62 V N 0.284 120.236 119.914 0.063 0.000 2.287 62 V HA -0.304 3.819 4.120 0.004 0.000 0.248 62 V C 2.656 178.755 176.094 0.007 0.000 1.053 62 V CA 2.865 65.176 62.300 0.018 0.000 1.027 62 V CB -0.511 31.314 31.823 0.003 0.000 0.646 62 V HN 0.755 nan 8.190 nan 0.000 0.447 63 E N -0.435 119.771 120.200 0.011 0.000 2.016 63 E HA -0.247 4.105 4.350 0.004 0.000 0.190 63 E C 2.314 178.918 176.600 0.007 0.000 0.985 63 E CA 1.235 57.635 56.400 -0.000 0.000 0.802 63 E CB -0.223 29.474 29.700 -0.005 0.000 0.762 63 E HN 0.765 nan 8.360 nan 0.000 0.448 64 Q N 0.506 120.317 119.800 0.019 0.000 2.439 64 Q HA -0.175 4.167 4.340 0.004 0.000 0.211 64 Q C 1.902 177.920 176.000 0.030 0.000 0.978 64 Q CA 0.702 56.519 55.803 0.023 0.000 0.897 64 Q CB -0.034 28.722 28.738 0.030 0.000 0.956 64 Q HN 0.260 nan 8.270 nan 0.000 0.483 65 L N 0.934 122.177 121.223 0.032 0.000 2.072 65 L HA -0.073 4.269 4.340 0.004 0.000 0.205 65 L C 2.328 179.215 176.870 0.027 0.000 1.079 65 L CA 1.637 56.500 54.840 0.038 0.000 0.752 65 L CB -0.088 41.992 42.059 0.035 0.000 0.906 65 L HN 0.118 nan 8.230 nan 0.000 0.436 66 R N -2.071 118.433 120.500 0.008 0.000 2.280 66 R HA -0.080 4.262 4.340 0.004 0.000 0.207 66 R C 2.215 178.514 176.300 -0.001 0.000 1.043 66 R CA 0.896 56.993 56.100 -0.005 0.000 1.006 66 R CB -0.660 29.625 30.300 -0.025 0.000 0.885 66 R HN 0.395 nan 8.270 nan 0.000 0.467 67 C N 0.232 119.535 119.300 0.006 0.000 2.435 67 C HA 0.079 4.541 4.460 0.004 0.000 0.279 67 C C 0.913 175.907 174.990 0.007 0.000 1.321 67 C CA 0.245 59.266 59.018 0.005 0.000 1.752 67 C CB -0.127 27.618 27.740 0.007 0.000 1.959 67 C HN 0.313 nan 8.230 nan 0.000 0.500 68 I N 1.034 121.613 120.570 0.015 0.000 2.641 68 I HA 0.208 4.380 4.170 0.004 0.000 0.275 68 I C -0.414 175.719 176.117 0.027 0.000 1.129 68 I CA 0.611 61.920 61.300 0.015 0.000 1.094 68 I CB 0.479 38.488 38.000 0.014 0.000 1.232 68 I HN 0.075 nan 8.210 nan 0.000 0.503 69 T N 3.396 117.963 114.554 0.022 0.000 3.905 69 T HA 0.219 4.571 4.350 0.004 0.000 0.227 69 T C 0.556 175.263 174.700 0.012 0.000 1.055 69 T CA -0.392 61.733 62.100 0.042 0.000 1.607 69 T CB 0.106 69.007 68.868 0.055 0.000 0.781 69 T HN 0.492 nan 8.240 nan 0.000 0.639 70 N N -0.229 118.465 118.700 -0.010 0.000 2.486 70 N HA 0.192 4.934 4.740 0.004 0.000 0.242 70 N C 2.012 177.497 175.510 -0.042 0.000 1.083 70 N CA 0.221 53.258 53.050 -0.023 0.000 0.844 70 N CB -0.345 38.130 38.487 -0.020 0.000 1.527 70 N HN 0.297 nan 8.380 nan 0.000 0.462 71 G N 0.680 109.445 108.800 -0.058 0.000 2.666 71 G HA2 -0.242 3.720 3.960 0.004 0.000 0.215 71 G HA3 -0.242 3.720 3.960 0.004 0.000 0.215 71 G C 0.861 175.691 174.900 -0.117 0.000 1.294 71 G CA 0.842 45.895 45.100 -0.079 0.000 0.811 71 G HN 0.291 nan 8.290 nan 0.000 0.594 72 Q N 0.012 119.687 119.800 -0.209 0.000 2.404 72 Q HA 0.431 4.773 4.340 0.004 0.000 0.368 72 Q C 1.643 177.404 176.000 -0.399 0.000 0.939 72 Q CA 0.311 55.927 55.803 -0.312 0.000 1.099 72 Q CB 0.473 28.944 28.738 -0.444 0.000 1.284 72 Q HN 0.357 nan 8.270 nan 0.000 0.421 73 S N -0.539 115.084 115.700 -0.129 0.000 2.389 73 S HA -0.127 4.345 4.470 0.004 0.000 0.231 73 S C 0.478 175.276 174.600 0.330 0.000 1.052 73 S CA 1.656 59.891 58.200 0.058 0.000 1.053 73 S CB 0.126 63.349 63.200 0.038 0.000 0.886 73 S HN 0.469 nan 8.310 nan 0.000 0.456 74 T N 1.428 116.153 114.554 0.285 0.000 3.105 74 T HA 0.587 4.939 4.350 0.004 0.000 0.321 74 T C -1.850 173.048 174.700 0.331 0.000 1.135 74 T CA -0.858 61.523 62.100 0.468 0.000 1.053 74 T CB 1.839 70.897 68.868 0.317 0.000 1.133 74 T HN 0.210 nan 8.240 nan 0.000 0.463 75 D N 0.418 121.070 120.400 0.420 0.000 2.622 75 D HA 0.463 5.105 4.640 0.004 0.000 0.255 75 D C 0.395 176.849 176.300 0.257 0.000 1.246 75 D CA -0.663 53.496 54.000 0.264 0.000 0.795 75 D CB 1.784 42.709 40.800 0.207 0.000 1.369 75 D HN 0.521 nan 8.370 nan 0.000 0.425 76 A N 0.400 123.310 122.820 0.150 0.000 2.206 76 A HA -0.049 4.273 4.320 0.004 0.000 0.211 76 A C 1.630 179.272 177.584 0.096 0.000 1.158 76 A CA 1.361 53.444 52.037 0.077 0.000 0.761 76 A CB -0.569 18.455 19.000 0.040 0.000 0.801 76 A HN 0.632 nan 8.150 nan 0.000 0.473 77 E N 0.050 120.349 120.200 0.164 0.000 2.048 77 E HA -0.289 4.064 4.350 0.004 0.000 0.202 77 E C 1.516 178.242 176.600 0.209 0.000 1.021 77 E CA 1.984 58.483 56.400 0.164 0.000 0.825 77 E CB -0.736 29.062 29.700 0.165 0.000 0.756 77 E HN 0.819 nan 8.360 nan 0.000 0.454 78 F N 0.261 120.234 119.950 0.039 0.000 2.731 78 F HA 0.375 4.904 4.527 0.003 0.000 0.298 78 F C 1.560 177.388 175.800 0.046 0.000 1.106 78 F CA -0.313 57.708 58.000 0.036 0.000 1.329 78 F CB -0.131 38.883 39.000 0.023 0.000 1.100 78 F HN -0.069 nan 8.300 nan 0.000 0.592 79 L N 0.504 121.414 121.223 -0.521 0.000 2.642 79 L HA -0.076 4.266 4.340 0.004 0.000 0.236 79 L C 1.650 178.386 176.870 -0.224 0.000 1.169 79 L CA 0.717 55.259 54.840 -0.496 0.000 0.851 79 L CB -0.231 41.697 42.059 -0.217 0.000 0.968 79 L HN 0.380 nan 8.230 nan 0.000 0.453 80 L N -1.890 119.253 121.223 -0.134 0.000 2.500 80 L HA 0.031 4.373 4.340 0.004 0.000 0.219 80 L C 2.331 179.205 176.870 0.007 0.000 1.057 80 L CA 0.159 54.960 54.840 -0.065 0.000 0.854 80 L CB -0.068 41.972 42.059 -0.031 0.000 1.078 80 L HN 0.077 nan 8.230 nan 0.000 0.480 81 R N -0.254 120.274 120.500 0.047 0.000 2.237 81 R HA -0.081 4.262 4.340 0.004 0.000 0.219 81 R C 2.011 178.407 176.300 0.160 0.000 1.080 81 R CA 0.744 56.949 56.100 0.176 0.000 0.995 81 R CB -0.013 30.380 30.300 0.156 0.000 0.875 81 R HN 0.196 nan 8.270 nan 0.000 0.462 82 V N 0.607 120.540 119.914 0.031 0.000 2.379 82 V HA -0.197 3.925 4.120 0.004 0.000 0.245 82 V C 2.313 178.554 176.094 0.244 0.000 1.044 82 V CA 1.453 63.827 62.300 0.123 0.000 1.036 82 V CB -0.464 31.380 31.823 0.036 0.000 0.664 82 V HN 0.253 nan 8.190 nan 0.000 0.453 83 K N 0.649 121.091 120.400 0.070 0.000 2.002 83 K HA -0.275 4.047 4.320 0.004 0.000 0.209 83 K C 2.284 178.936 176.600 0.087 0.000 1.048 83 K CA 2.230 58.431 56.287 -0.144 0.000 0.930 83 K CB -0.089 32.194 32.500 -0.363 0.000 0.714 83 K HN 0.638 nan 8.250 nan 0.000 0.438 84 E N 0.241 120.507 120.200 0.110 0.000 2.005 84 E HA -0.255 4.097 4.350 0.004 0.000 0.198 84 E C 1.955 178.669 176.600 0.189 0.000 1.010 84 E CA 1.790 58.270 56.400 0.133 0.000 0.825 84 E CB -0.437 29.321 29.700 0.096 0.000 0.769 84 E HN 0.415 nan 8.360 nan 0.000 0.456 85 H N -1.308 117.832 119.070 0.116 0.000 2.325 85 H HA -0.230 4.328 4.556 0.003 0.000 0.293 85 H C 2.162 177.577 175.328 0.145 0.000 1.106 85 H CA 1.938 58.056 56.048 0.115 0.000 1.247 85 H CB -0.469 29.364 29.762 0.119 0.000 1.359 85 H HN 0.399 nan 8.280 nan 0.000 0.488 86 Y N 1.968 122.406 120.300 0.230 0.000 2.128 86 Y HA -0.285 4.268 4.550 0.005 0.000 0.284 86 Y C 2.957 178.923 175.900 0.110 0.000 1.154 86 Y CA 2.266 60.486 58.100 0.200 0.000 1.149 86 Y CB -0.177 38.489 38.460 0.342 0.000 0.976 86 Y HN 0.257 nan 8.280 nan 0.000 0.505 87 T N -0.859 113.943 114.554 0.412 0.000 2.708 87 T HA -0.186 4.167 4.350 0.004 0.000 0.266 87 T C 1.791 176.512 174.700 0.035 0.000 1.037 87 T CA 1.278 63.498 62.100 0.201 0.000 1.146 87 T CB -0.468 68.507 68.868 0.180 0.000 0.865 87 T HN 0.241 nan 8.240 nan 0.000 0.435 88 R N 1.266 121.782 120.500 0.028 0.000 2.303 88 R HA 0.113 4.455 4.340 0.004 0.000 0.225 88 R C 1.868 178.133 176.300 -0.058 0.000 1.114 88 R CA 0.555 56.639 56.100 -0.027 0.000 1.007 88 R CB -0.835 29.437 30.300 -0.046 0.000 0.861 88 R HN 0.477 nan 8.270 nan 0.000 0.471 89 L N 0.568 121.733 121.223 -0.097 0.000 2.653 89 L HA 0.134 4.476 4.340 0.004 0.000 0.231 89 L C 0.248 176.946 176.870 -0.287 0.000 1.153 89 L CA 0.124 54.860 54.840 -0.174 0.000 0.933 89 L CB 0.213 42.130 42.059 -0.237 0.000 1.175 89 L HN 0.001 nan 8.230 nan 0.000 0.473 90 L N -1.195 119.906 121.223 -0.203 0.000 3.193 90 L HA 0.252 4.594 4.340 0.004 0.000 0.305 90 L C -1.693 175.149 176.870 -0.046 0.000 1.299 90 L CA -0.483 54.257 54.840 -0.168 0.000 0.904 90 L CB 0.302 42.239 42.059 -0.202 0.000 1.331 90 L HN -0.096 nan 8.230 nan 0.000 0.588 91 P HA -0.050 nan 4.420 nan 0.000 0.217 91 P C 0.456 177.727 177.300 -0.048 0.000 1.154 91 P CA 0.935 63.995 63.100 -0.066 0.000 0.841 91 P CB 0.380 32.053 31.700 -0.044 0.000 0.790 92 D N -1.240 119.182 120.400 0.037 0.000 3.068 92 D HA 0.097 4.739 4.640 0.004 0.000 0.327 92 D C -1.044 175.297 176.300 0.068 0.000 1.361 92 D CA -0.462 53.551 54.000 0.022 0.000 0.877 92 D CB -0.177 40.622 40.800 -0.001 0.000 1.088 92 D HN 0.085 nan 8.370 nan 0.000 0.489 93 Y N 1.531 121.812 120.300 -0.031 0.000 2.700 93 Y HA 0.226 4.778 4.550 0.003 0.000 0.333 93 Y C -1.321 174.668 175.900 0.149 0.000 1.036 93 Y CA -1.694 56.433 58.100 0.046 0.000 1.287 93 Y CB 1.532 40.023 38.460 0.052 0.000 1.132 93 Y HN 0.164 nan 8.280 nan 0.000 0.510 94 P HA -0.106 nan 4.420 nan 0.000 0.225 94 P C 0.487 177.956 177.300 0.281 0.000 1.156 94 P CA 1.117 64.354 63.100 0.228 0.000 0.787 94 P CB 0.346 32.092 31.700 0.076 0.000 0.802 95 R N -0.336 120.256 120.500 0.154 0.000 2.568 95 R HA 0.188 4.530 4.340 0.004 0.000 0.288 95 R C 1.575 177.854 176.300 -0.035 0.000 1.077 95 R CA -0.217 55.890 56.100 0.012 0.000 1.102 95 R CB -0.806 29.473 30.300 -0.036 0.000 1.278 95 R HN 0.285 nan 8.270 nan 0.000 0.560 96 F N 0.886 120.834 119.950 -0.005 0.000 2.186 96 F HA -0.107 4.422 4.527 0.003 0.000 0.299 96 F C 2.123 177.851 175.800 -0.120 0.000 1.090 96 F CA 0.730 58.701 58.000 -0.048 0.000 1.307 96 F CB -0.234 38.768 39.000 0.003 0.000 1.019 96 F HN -0.012 nan 8.300 nan 0.000 0.489 97 E N 2.064 121.602 120.200 -1.104 0.000 2.085 97 E HA -0.292 4.060 4.350 0.004 0.000 0.194 97 E C 2.134 178.596 176.600 -0.230 0.000 0.994 97 E CA 2.096 58.101 56.400 -0.658 0.000 0.801 97 E CB -1.054 28.332 29.700 -0.523 0.000 0.743 97 E HN 0.707 nan 8.360 nan 0.000 0.453 98 I N 0.232 120.671 120.570 -0.219 0.000 3.226 98 I HA 0.065 4.237 4.170 0.004 0.000 0.277 98 I C 2.290 178.165 176.117 -0.403 0.000 1.243 98 I CA 0.767 61.982 61.300 -0.143 0.000 1.459 98 I CB 0.001 38.001 38.000 0.000 0.000 1.093 98 I HN 0.125 nan 8.210 nan 0.000 0.453 99 A N 0.589 123.003 122.820 -0.678 0.000 1.898 99 A HA -0.186 4.136 4.320 0.004 0.000 0.216 99 A C 2.154 179.735 177.584 -0.005 0.000 1.181 99 A CA 1.630 53.272 52.037 -0.658 0.000 0.620 99 A CB -0.514 18.214 19.000 -0.453 0.000 0.819 99 A HN 0.531 nan 8.150 nan 0.000 0.442 100 E N -0.659 119.450 120.200 -0.152 0.000 2.072 100 E HA -0.132 4.220 4.350 0.004 0.000 0.191 100 E C 2.225 178.876 176.600 0.085 0.000 0.985 100 E CA 1.174 57.413 56.400 -0.268 0.000 0.801 100 E CB -0.201 29.108 29.700 -0.652 0.000 0.750 100 E HN 0.546 nan 8.360 nan 0.000 0.452 101 S N -0.008 115.675 115.700 -0.028 0.000 2.419 101 S HA -0.144 4.328 4.470 0.004 0.000 0.233 101 S C 1.602 176.349 174.600 0.244 0.000 1.016 101 S CA 0.649 58.854 58.200 0.009 0.000 0.974 101 S CB -0.234 62.876 63.200 -0.151 0.000 0.786 101 S HN 0.276 nan 8.310 nan 0.000 0.492 102 F N 0.972 121.008 119.950 0.143 0.000 2.186 102 F HA 0.015 4.545 4.527 0.005 0.000 0.299 102 F C 1.689 177.601 175.800 0.187 0.000 1.090 102 F CA 1.363 59.444 58.000 0.135 0.000 1.307 102 F CB -0.467 38.568 39.000 0.059 0.000 1.019 102 F HN 0.376 nan 8.300 nan 0.000 0.489 103 F N 1.325 121.374 119.950 0.166 0.000 2.095 103 F HA -0.302 4.227 4.527 0.003 0.000 0.298 103 F C 2.246 177.988 175.800 -0.098 0.000 1.104 103 F CA 2.067 60.056 58.000 -0.018 0.000 1.232 103 F CB -0.603 38.263 39.000 -0.225 0.000 0.987 103 F HN -0.049 nan 8.300 nan 0.000 0.475 104 N N 0.041 118.930 118.700 0.316 0.000 2.007 104 N HA -0.270 4.472 4.740 0.004 0.000 0.197 104 N C 2.040 177.528 175.510 -0.037 0.000 1.050 104 N CA 1.831 54.949 53.050 0.113 0.000 0.856 104 N CB -1.105 37.385 38.487 0.005 0.000 1.050 104 N HN 0.286 nan 8.380 nan 0.000 0.423 105 S N 0.516 116.186 115.700 -0.050 0.000 2.465 105 S HA -0.049 4.423 4.470 0.004 0.000 0.241 105 S C 2.054 176.609 174.600 -0.075 0.000 1.000 105 S CA 0.444 58.603 58.200 -0.068 0.000 0.964 105 S CB -0.127 63.098 63.200 0.041 0.000 0.763 105 S HN 0.123 nan 8.310 nan 0.000 0.512 106 V N 0.266 120.089 119.914 -0.151 0.000 2.255 106 V HA -0.088 4.034 4.120 0.004 0.000 0.243 106 V C 1.831 177.888 176.094 -0.062 0.000 1.038 106 V CA 1.943 64.155 62.300 -0.146 0.000 1.008 106 V CB -1.044 30.645 31.823 -0.223 0.000 0.645 106 V HN 0.600 nan 8.190 nan 0.000 0.449 107 Y N 0.516 120.654 120.300 -0.270 0.000 2.002 107 Y HA -0.394 4.158 4.550 0.003 0.000 0.268 107 Y C 2.683 178.610 175.900 0.045 0.000 1.177 107 Y CA 2.335 60.328 58.100 -0.179 0.000 1.111 107 Y CB -0.809 37.445 38.460 -0.344 0.000 0.952 107 Y HN 0.237 nan 8.280 nan 0.000 0.491 108 C N 0.610 119.987 119.300 0.129 0.000 2.409 108 C HA -0.171 4.291 4.460 0.004 0.000 0.284 108 C C 2.627 177.746 174.990 0.215 0.000 1.354 108 C CA 0.929 59.978 59.018 0.053 0.000 1.787 108 C CB -1.213 26.259 27.740 -0.446 0.000 1.900 108 C HN 0.494 nan 8.230 nan 0.000 0.520 109 R N 0.185 120.771 120.500 0.144 0.000 2.080 109 R HA 0.158 4.501 4.340 0.004 0.000 0.222 109 R C 2.002 178.313 176.300 0.018 0.000 1.107 109 R CA 0.884 57.056 56.100 0.119 0.000 0.980 109 R CB -0.853 29.487 30.300 0.068 0.000 0.879 109 R HN 0.490 nan 8.270 nan 0.000 0.439 110 L N -0.556 120.658 121.223 -0.015 0.000 2.291 110 L HA -0.003 4.339 4.340 0.004 0.000 0.214 110 L C 0.668 177.228 176.870 -0.518 0.000 1.120 110 L CA 1.026 55.731 54.840 -0.225 0.000 0.799 110 L CB -0.075 41.865 42.059 -0.197 0.000 0.925 110 L HN 0.024 nan 8.230 nan 0.000 0.446 111 F N -1.274 118.544 119.950 -0.220 0.000 2.835 111 F HA 0.183 4.712 4.527 0.003 0.000 0.342 111 F C 0.323 176.083 175.800 -0.066 0.000 1.202 111 F CA -0.689 57.185 58.000 -0.211 0.000 1.240 111 F CB -0.017 38.717 39.000 -0.444 0.000 1.005 111 F HN -0.083 nan 8.300 nan 0.000 0.507 112 D N 1.343 121.793 120.400 0.083 0.000 2.772 112 D HA -0.304 4.339 4.640 0.004 0.000 0.233 112 D C 0.278 176.709 176.300 0.218 0.000 1.143 112 D CA 0.794 54.855 54.000 0.102 0.000 0.700 112 D CB -1.400 39.431 40.800 0.052 0.000 1.076 112 D HN 0.619 nan 8.370 nan 0.000 0.430 113 H N -1.846 117.268 119.070 0.074 0.000 2.557 113 H HA -0.272 4.286 4.556 0.004 0.000 0.319 113 H C 1.527 176.897 175.328 0.071 0.000 1.102 113 H CA 1.223 57.317 56.048 0.077 0.000 1.126 113 H CB -0.126 29.682 29.762 0.076 0.000 1.498 113 H HN 0.382 nan 8.280 nan 0.000 0.411 114 R N -0.026 120.585 120.500 0.185 0.000 2.591 114 R HA 0.109 4.451 4.340 0.004 0.000 0.288 114 R C 0.299 176.680 176.300 0.136 0.000 0.947 114 R CA 0.465 56.649 56.100 0.139 0.000 1.085 114 R CB 0.386 30.762 30.300 0.127 0.000 1.618 114 R HN 0.084 nan 8.270 nan 0.000 0.524 115 S N 1.000 116.818 115.700 0.198 0.000 2.606 115 S HA 0.248 4.720 4.470 0.004 0.000 0.257 115 S C 0.398 175.056 174.600 0.097 0.000 1.327 115 S CA -0.453 57.862 58.200 0.191 0.000 0.984 115 S CB 0.265 63.631 63.200 0.277 0.000 0.941 115 S HN 0.242 nan 8.310 nan 0.000 0.576 116 L N 1.347 122.594 121.223 0.041 0.000 2.456 116 L HA 0.442 4.785 4.340 0.004 0.000 0.246 116 L C 0.774 177.595 176.870 -0.083 0.000 1.238 116 L CA 0.896 55.727 54.840 -0.016 0.000 0.826 116 L CB 0.615 42.669 42.059 -0.008 0.000 1.150 116 L HN 0.718 nan 8.230 nan 0.000 0.514 117 T N -0.584 113.929 114.554 -0.069 0.000 2.858 117 T HA 0.532 4.884 4.350 0.004 0.000 0.285 117 T C -2.022 172.645 174.700 -0.056 0.000 1.052 117 T CA -0.949 61.098 62.100 -0.088 0.000 1.009 117 T CB 1.302 70.137 68.868 -0.054 0.000 1.241 117 T HN 0.626 nan 8.240 nan 0.000 0.542 118 P HA 0.019 nan 4.420 nan 0.000 0.226 118 P C 0.059 177.307 177.300 -0.087 0.000 1.146 118 P CA 0.993 64.074 63.100 -0.031 0.000 0.773 118 P CB 0.110 31.853 31.700 0.071 0.000 0.772 119 E N -0.827 119.306 120.200 -0.113 0.000 2.437 119 E HA 0.125 4.477 4.350 0.004 0.000 0.195 119 E C 1.314 177.761 176.600 -0.254 0.000 1.029 119 E CA -0.003 56.306 56.400 -0.153 0.000 0.948 119 E CB 0.014 29.657 29.700 -0.095 0.000 1.082 119 E HN 0.016 nan 8.360 nan 0.000 0.456 120 R N 0.423 120.729 120.500 -0.324 0.000 2.468 120 R HA 0.441 4.783 4.340 0.004 0.000 0.280 120 R C -0.874 174.946 176.300 -0.799 0.000 0.963 120 R CA -0.072 55.734 56.100 -0.490 0.000 1.083 120 R CB 0.162 30.237 30.300 -0.374 0.000 1.200 120 R HN 0.107 nan 8.270 nan 0.000 0.541 121 L N -1.630 119.194 121.223 -0.665 0.000 3.055 121 L HA 0.312 4.654 4.340 0.004 0.000 0.260 121 L C -1.705 174.750 176.870 -0.692 0.000 0.986 121 L CA -0.566 53.850 54.840 -0.706 0.000 1.009 121 L CB 0.854 42.605 42.059 -0.515 0.000 1.508 121 L HN -0.103 nan 8.230 nan 0.000 0.407 122 F N 3.711 123.373 119.950 -0.480 0.000 2.368 122 F HA 0.434 4.963 4.527 0.003 0.000 0.362 122 F C 0.959 176.601 175.800 -0.265 0.000 1.137 122 F CA -0.153 57.641 58.000 -0.343 0.000 1.161 122 F CB 0.686 39.468 39.000 -0.364 0.000 1.265 122 F HN 0.337 nan 8.300 nan 0.000 0.530 123 I N 1.745 122.266 120.570 -0.081 0.000 3.854 123 I HA 0.276 4.448 4.170 0.004 0.000 0.312 123 I C -0.455 175.442 176.117 -0.367 0.000 1.273 123 I CA 0.484 61.627 61.300 -0.260 0.000 1.298 123 I CB 0.124 37.912 38.000 -0.353 0.000 1.071 123 I HN 0.186 nan 8.210 nan 0.000 0.428 124 F N -0.657 119.321 119.950 0.047 0.000 2.593 124 F HA 0.479 5.008 4.527 0.003 0.000 0.320 124 F C 0.766 176.609 175.800 0.072 0.000 1.060 124 F CA -0.831 57.213 58.000 0.074 0.000 0.940 124 F CB 1.364 40.407 39.000 0.072 0.000 1.268 124 F HN -0.435 nan 8.300 nan 0.000 0.475 125 S N 0.496 116.382 115.700 0.310 0.000 2.564 125 S HA 0.247 4.719 4.470 0.004 0.000 0.278 125 S C -0.323 174.405 174.600 0.213 0.000 1.333 125 S CA -0.431 57.907 58.200 0.230 0.000 1.048 125 S CB 0.450 63.827 63.200 0.295 0.000 0.900 125 S HN 0.503 nan 8.310 nan 0.000 0.505 126 S N 2.928 118.725 115.700 0.161 0.000 2.466 126 S HA 0.300 4.772 4.470 0.004 0.000 0.313 126 S C 0.496 175.125 174.600 0.048 0.000 1.078 126 S CA -0.461 57.796 58.200 0.095 0.000 1.115 126 S CB 0.661 63.894 63.200 0.056 0.000 1.006 126 S HN 0.794 nan 8.310 nan 0.000 0.487 127 Q N 1.410 121.234 119.800 0.040 0.000 2.360 127 Q HA -0.142 4.200 4.340 0.004 0.000 0.192 127 Q C -2.007 173.962 176.000 -0.051 0.000 0.615 127 Q CA 1.590 57.386 55.803 -0.011 0.000 1.355 127 Q CB -2.321 26.399 28.738 -0.030 0.000 1.324 127 Q HN 0.508 nan 8.270 nan 0.000 0.885 128 P HA -0.155 nan 4.420 nan 0.000 0.214 128 P C 0.946 178.221 177.300 -0.042 0.000 1.162 128 P CA 1.656 64.663 63.100 -0.156 0.000 0.879 128 P CB -0.049 31.616 31.700 -0.058 0.000 0.786 129 E N -0.699 119.524 120.200 0.038 0.000 2.046 129 E HA -0.198 4.155 4.350 0.004 0.000 0.190 129 E C 2.202 178.893 176.600 0.152 0.000 0.982 129 E CA 0.912 57.416 56.400 0.174 0.000 0.800 129 E CB -0.036 29.781 29.700 0.195 0.000 0.756 129 E HN -0.147 nan 8.360 nan 0.000 0.449 130 R N 0.392 120.894 120.500 0.004 0.000 2.073 130 R HA 0.053 4.396 4.340 0.004 0.000 0.229 130 R C 0.368 176.364 176.300 -0.507 0.000 1.120 130 R CA 0.775 56.783 56.100 -0.153 0.000 0.967 130 R CB -0.004 30.221 30.300 -0.124 0.000 0.862 130 R HN -0.072 nan 8.270 nan 0.000 0.436 131 R N 0.713 121.014 120.500 -0.331 0.000 2.340 131 R HA 0.069 4.411 4.340 0.004 0.000 0.300 131 R C -0.154 175.990 176.300 -0.259 0.000 1.069 131 R CA -0.153 55.705 56.100 -0.404 0.000 0.984 131 R CB 0.098 30.291 30.300 -0.179 0.000 1.003 131 R HN 0.126 nan 8.270 nan 0.000 0.459 132 F N 0.878 120.883 119.950 0.092 0.000 2.663 132 F HA 0.223 4.752 4.527 0.003 0.000 0.299 132 F C 1.543 177.401 175.800 0.095 0.000 1.143 132 F CA -0.452 57.614 58.000 0.110 0.000 1.387 132 F CB -0.229 38.824 39.000 0.088 0.000 1.019 132 F HN 0.156 nan 8.300 nan 0.000 0.523 133 R N 1.677 122.271 120.500 0.158 0.000 4.624 133 R HA 0.008 4.350 4.340 0.004 0.000 0.214 133 R C 0.897 177.268 176.300 0.119 0.000 2.026 133 R CA 0.157 56.332 56.100 0.125 0.000 1.676 133 R CB -1.578 28.760 30.300 0.063 0.000 1.291 133 R HN 0.164 nan 8.270 nan 0.000 0.739 134 T N -0.975 113.678 114.554 0.164 0.000 3.467 134 T HA 0.224 4.576 4.350 0.004 0.000 0.232 134 T C 0.279 175.046 174.700 0.111 0.000 0.876 134 T CA -0.501 61.684 62.100 0.142 0.000 0.939 134 T CB -0.737 68.252 68.868 0.201 0.000 1.165 134 T HN 0.314 nan 8.240 nan 0.000 0.615 135 I N 1.220 121.847 120.570 0.093 0.000 2.692 135 I HA 0.321 4.493 4.170 0.004 0.000 0.285 135 I C -1.748 174.399 176.117 0.050 0.000 1.191 135 I CA -2.341 59.004 61.300 0.075 0.000 1.128 135 I CB 1.142 39.195 38.000 0.089 0.000 1.585 135 I HN 0.052 nan 8.210 nan 0.000 0.558 136 P HA -0.115 nan 4.420 nan 0.000 0.216 136 P C 0.536 177.847 177.300 0.019 0.000 1.154 136 P CA 1.503 64.618 63.100 0.025 0.000 0.865 136 P CB 0.182 31.892 31.700 0.018 0.000 0.789 137 R N -0.933 119.578 120.500 0.018 0.000 2.549 137 R HA 0.222 4.564 4.340 0.004 0.000 0.259 137 R C -1.320 174.980 176.300 0.001 0.000 1.095 137 R CA -1.567 54.538 56.100 0.009 0.000 1.148 137 R CB -0.644 29.663 30.300 0.011 0.000 1.181 137 R HN 0.014 nan 8.270 nan 0.000 0.571 138 P HA -0.093 nan 4.420 nan 0.000 0.219 138 P C 0.718 177.974 177.300 -0.074 0.000 1.150 138 P CA 1.059 64.138 63.100 -0.034 0.000 0.814 138 P CB 0.410 32.077 31.700 -0.056 0.000 0.787 139 L N -3.891 117.278 121.223 -0.091 0.000 5.174 139 L HA -0.263 4.080 4.340 0.004 0.000 0.420 139 L C -0.009 176.670 176.870 -0.319 0.000 0.973 139 L CA 0.564 55.315 54.840 -0.148 0.000 1.381 139 L CB -1.612 40.374 42.059 -0.123 0.000 1.819 139 L HN 0.270 nan 8.230 nan 0.000 0.645 140 A N -0.663 121.970 122.820 -0.312 0.000 2.567 140 A HA 0.690 5.012 4.320 0.004 0.000 0.291 140 A C -1.154 176.277 177.584 -0.254 0.000 1.048 140 A CA -0.622 51.185 52.037 -0.383 0.000 0.661 140 A CB 1.227 19.796 19.000 -0.718 0.000 1.288 140 A HN 0.092 nan 8.150 nan 0.000 0.424 141 K N 0.479 120.693 120.400 -0.310 0.000 2.267 141 K HA 0.515 4.837 4.320 0.004 0.000 0.246 141 K C -1.446 174.853 176.600 -0.501 0.000 0.954 141 K CA -0.751 55.296 56.287 -0.400 0.000 0.824 141 K CB 1.687 33.885 32.500 -0.504 0.000 1.167 141 K HN 0.654 nan 8.250 nan 0.000 0.431 142 D N 2.597 122.767 120.400 -0.382 0.000 2.428 142 D HA 0.141 4.783 4.640 0.004 0.000 0.221 142 D C -0.866 175.325 176.300 -0.182 0.000 1.123 142 D CA 0.069 53.927 54.000 -0.238 0.000 0.869 142 D CB 0.327 41.024 40.800 -0.171 0.000 1.032 142 D HN 0.251 nan 8.370 nan 0.000 0.506 143 F N 1.558 121.554 119.950 0.077 0.000 2.371 143 F HA 0.185 4.714 4.527 0.004 0.000 0.363 143 F C 0.940 176.778 175.800 0.062 0.000 1.122 143 F CA -0.756 57.279 58.000 0.059 0.000 1.129 143 F CB 0.965 39.988 39.000 0.038 0.000 1.173 143 F HN 0.273 nan 8.300 nan 0.000 0.489 144 H N 4.169 123.344 119.070 0.175 0.000 2.457 144 H HA 0.330 4.888 4.556 0.003 0.000 0.335 144 H C -2.414 172.875 175.328 -0.064 0.000 1.115 144 H CA -2.238 53.850 56.048 0.066 0.000 1.219 144 H CB 1.660 31.439 29.762 0.029 0.000 1.471 144 H HN 0.271 nan 8.280 nan 0.000 0.491 145 P HA 0.030 nan 4.420 nan 0.000 0.270 145 P C -0.567 176.698 177.300 -0.058 0.000 1.242 145 P CA 0.296 63.266 63.100 -0.216 0.000 0.768 145 P CB 0.940 32.341 31.700 -0.498 0.000 0.820 146 D N -0.340 120.016 120.400 -0.073 0.000 2.716 146 D HA -0.039 4.603 4.640 0.004 0.000 0.273 146 D C 1.049 177.323 176.300 -0.042 0.000 1.024 146 D CA 0.841 54.814 54.000 -0.046 0.000 0.944 146 D CB -0.231 40.558 40.800 -0.018 0.000 1.186 146 D HN 0.483 nan 8.370 nan 0.000 0.485 147 H N 0.180 119.185 119.070 -0.107 0.000 2.549 147 H HA 0.286 4.845 4.556 0.003 0.000 0.279 147 H C 1.074 176.321 175.328 -0.134 0.000 1.018 147 H CA 0.790 56.781 56.048 -0.095 0.000 1.175 147 H CB 0.461 30.181 29.762 -0.071 0.000 1.485 147 H HN 0.168 nan 8.280 nan 0.000 0.543 148 G N 0.874 109.549 108.800 -0.208 0.000 2.531 148 G HA2 -0.338 3.624 3.960 0.004 0.000 0.274 148 G HA3 -0.338 3.624 3.960 0.004 0.000 0.274 148 G C 0.355 175.025 174.900 -0.383 0.000 1.159 148 G CA 0.221 45.051 45.100 -0.449 0.000 0.969 148 G HN 0.516 nan 8.290 nan 0.000 0.554 149 W N 0.787 122.114 121.300 0.045 0.000 3.239 149 W HA 0.586 5.248 4.660 0.003 0.000 0.368 149 W C 1.941 178.491 176.519 0.051 0.000 1.154 149 W CA 0.357 57.736 57.345 0.057 0.000 1.860 149 W CB 0.662 30.158 29.460 0.059 0.000 1.094 149 W HN 0.635 nan 8.180 nan 0.000 0.643 150 E N -0.942 119.382 120.200 0.207 0.000 2.372 150 E HA 0.036 4.389 4.350 0.004 0.000 0.201 150 E C 1.959 178.615 176.600 0.094 0.000 0.938 150 E CA 0.793 57.273 56.400 0.133 0.000 0.944 150 E CB 0.203 29.958 29.700 0.092 0.000 0.937 150 E HN -0.112 nan 8.360 nan 0.000 0.495 151 S N -0.481 115.274 115.700 0.092 0.000 2.510 151 S HA 0.114 4.587 4.470 0.004 0.000 0.230 151 S C 1.509 176.089 174.600 -0.034 0.000 1.066 151 S CA 0.172 58.380 58.200 0.013 0.000 0.941 151 S CB -0.084 63.115 63.200 -0.001 0.000 0.829 151 S HN 0.282 nan 8.310 nan 0.000 0.530 152 L N 1.701 122.893 121.223 -0.051 0.000 2.046 152 L HA 0.119 4.461 4.340 0.004 0.000 0.208 152 L C 1.840 178.637 176.870 -0.122 0.000 1.077 152 L CA 1.452 56.214 54.840 -0.130 0.000 0.747 152 L CB -0.378 41.557 42.059 -0.207 0.000 0.896 152 L HN 0.298 nan 8.230 nan 0.000 0.432 153 L N -0.795 120.444 121.223 0.027 0.000 2.551 153 L HA -0.080 4.262 4.340 0.004 0.000 0.228 153 L C 2.051 178.933 176.870 0.020 0.000 1.153 153 L CA 0.993 55.893 54.840 0.100 0.000 0.851 153 L CB -0.363 41.873 42.059 0.295 0.000 0.959 153 L HN 0.352 nan 8.230 nan 0.000 0.451 154 M N -1.245 118.333 119.600 -0.037 0.000 2.254 154 M HA -0.065 4.417 4.480 0.004 0.000 0.265 154 M C 2.172 178.388 176.300 -0.140 0.000 1.066 154 M CA 1.241 56.492 55.300 -0.082 0.000 1.123 154 M CB -0.652 31.898 32.600 -0.084 0.000 1.388 154 M HN 0.198 nan 8.290 nan 0.000 0.425 155 R N -0.030 120.353 120.500 -0.194 0.000 2.080 155 R HA -0.127 4.215 4.340 0.004 0.000 0.236 155 R C 2.220 178.373 176.300 -0.245 0.000 1.137 155 R CA 1.917 57.850 56.100 -0.279 0.000 0.943 155 R CB -1.810 28.177 30.300 -0.521 0.000 0.846 155 R HN 0.477 nan 8.270 nan 0.000 0.431 156 V N -0.318 119.456 119.914 -0.233 0.000 2.282 156 V HA -0.228 3.894 4.120 0.004 0.000 0.249 156 V C 2.204 178.307 176.094 0.016 0.000 1.057 156 V CA 2.017 64.279 62.300 -0.064 0.000 1.032 156 V CB -0.707 31.151 31.823 0.058 0.000 0.645 156 V HN 0.219 nan 8.190 nan 0.000 0.447 157 I N 1.079 121.633 120.570 -0.025 0.000 2.761 157 I HA -0.095 4.077 4.170 0.004 0.000 0.261 157 I C 2.521 178.516 176.117 -0.203 0.000 1.198 157 I CA 1.407 62.675 61.300 -0.052 0.000 1.482 157 I CB -0.449 37.459 38.000 -0.153 0.000 1.100 157 I HN 0.404 nan 8.210 nan 0.000 0.445 158 S N 0.733 116.316 115.700 -0.194 0.000 2.388 158 S HA -0.094 4.378 4.470 0.004 0.000 0.223 158 S C 1.411 175.991 174.600 -0.033 0.000 1.034 158 S CA 0.895 58.984 58.200 -0.186 0.000 0.963 158 S CB -0.300 62.799 63.200 -0.168 0.000 0.827 158 S HN 0.548 nan 8.310 nan 0.000 0.481 159 D N 1.313 121.717 120.400 0.006 0.000 2.319 159 D HA 0.065 4.707 4.640 0.004 0.000 0.230 159 D C 0.155 176.535 176.300 0.133 0.000 1.094 159 D CA -0.076 53.968 54.000 0.074 0.000 0.856 159 D CB -0.310 40.543 40.800 0.088 0.000 0.915 159 D HN 0.301 nan 8.370 nan 0.000 0.517 160 L N 2.010 123.335 121.223 0.169 0.000 2.410 160 L HA 0.105 4.447 4.340 0.004 0.000 0.273 160 L C -1.032 175.982 176.870 0.239 0.000 1.144 160 L CA -1.313 53.664 54.840 0.228 0.000 0.863 160 L CB 0.894 43.150 42.059 0.327 0.000 1.140 160 L HN -0.192 nan 8.230 nan 0.000 0.463 161 P HA -0.063 nan 4.420 nan 0.000 0.242 161 P C -0.013 177.378 177.300 0.152 0.000 1.198 161 P CA 0.297 63.485 63.100 0.148 0.000 0.756 161 P CB 0.073 31.840 31.700 0.112 0.000 0.911 162 L N 1.071 122.413 121.223 0.198 0.000 2.315 162 L HA 0.208 4.550 4.340 0.004 0.000 0.283 162 L C 0.888 177.757 176.870 -0.001 0.000 1.089 162 L CA 0.137 55.036 54.840 0.098 0.000 0.833 162 L CB 0.269 42.374 42.059 0.078 0.000 1.170 162 L HN -0.303 nan 8.230 nan 0.000 0.442 163 R N 5.260 125.730 120.500 -0.050 0.000 2.346 163 R HA 0.664 5.006 4.340 0.004 0.000 0.309 163 R C -1.678 174.511 176.300 -0.184 0.000 1.119 163 R CA -0.425 55.648 56.100 -0.045 0.000 1.112 163 R CB -0.337 29.973 30.300 0.017 0.000 1.132 163 R HN 0.560 nan 8.270 nan 0.000 0.538 164 L N 2.599 123.598 121.223 -0.372 0.000 2.666 164 L HA 0.206 4.549 4.340 0.004 0.000 0.259 164 L C -0.738 175.825 176.870 -0.512 0.000 0.919 164 L CA -1.127 53.402 54.840 -0.517 0.000 0.927 164 L CB 1.808 43.483 42.059 -0.640 0.000 1.423 164 L HN 0.711 nan 8.230 nan 0.000 0.426 165 H N 0.737 119.794 119.070 -0.022 0.000 3.254 165 H HA -0.081 4.477 4.556 0.004 0.000 0.253 165 H C -0.500 174.901 175.328 0.120 0.000 0.853 165 H CA 0.014 56.138 56.048 0.128 0.000 1.404 165 H CB -0.082 29.733 29.762 0.088 0.000 1.483 165 H HN 0.341 nan 8.280 nan 0.000 0.522 166 W N 2.608 123.966 121.300 0.098 0.000 2.112 166 W HA -0.039 4.622 4.660 0.003 0.000 0.349 166 W C 0.995 177.597 176.519 0.137 0.000 1.289 166 W CA -0.476 56.930 57.345 0.101 0.000 1.256 166 W CB 0.877 30.395 29.460 0.097 0.000 1.148 166 W HN 0.665 nan 8.180 nan 0.000 0.590 167 Q N 0.962 120.987 119.800 0.375 0.000 2.089 167 Q HA -0.042 4.300 4.340 0.004 0.000 0.195 167 Q C 0.203 176.336 176.000 0.222 0.000 0.963 167 Q CA 1.355 57.324 55.803 0.276 0.000 0.834 167 Q CB -0.083 28.805 28.738 0.251 0.000 0.906 167 Q HN 0.304 nan 8.270 nan 0.000 0.452 168 N N -0.499 118.342 118.700 0.234 0.000 2.747 168 N HA 0.140 4.882 4.740 0.004 0.000 0.262 168 N C -0.446 175.158 175.510 0.156 0.000 1.261 168 N CA -0.010 53.128 53.050 0.148 0.000 0.809 168 N CB 0.782 39.309 38.487 0.067 0.000 1.450 168 N HN -0.112 nan 8.380 nan 0.000 0.560 169 K N 0.457 120.931 120.400 0.124 0.000 2.057 169 K HA -0.006 4.316 4.320 0.004 0.000 0.206 169 K C 1.529 178.149 176.600 0.034 0.000 1.050 169 K CA 1.229 57.547 56.287 0.052 0.000 0.935 169 K CB 0.079 32.505 32.500 -0.124 0.000 0.715 169 K HN 0.370 nan 8.250 nan 0.000 0.439 170 S N 0.093 115.800 115.700 0.011 0.000 2.423 170 S HA -0.110 4.362 4.470 0.004 0.000 0.231 170 S C 1.928 176.516 174.600 -0.020 0.000 1.014 170 S CA 1.143 59.347 58.200 0.007 0.000 0.965 170 S CB -0.103 63.093 63.200 -0.007 0.000 0.785 170 S HN 0.261 nan 8.310 nan 0.000 0.495 171 R N 0.220 120.670 120.500 -0.083 0.000 2.153 171 R HA 0.015 4.357 4.340 0.004 0.000 0.218 171 R C 1.426 177.520 176.300 -0.344 0.000 1.072 171 R CA 1.447 57.381 56.100 -0.276 0.000 0.990 171 R CB -0.152 29.983 30.300 -0.274 0.000 0.889 171 R HN 0.310 nan 8.270 nan 0.000 0.452 172 D N 0.462 120.866 120.400 0.008 0.000 2.144 172 D HA -0.159 4.483 4.640 0.004 0.000 0.200 172 D C 1.771 178.166 176.300 0.159 0.000 0.978 172 D CA 1.520 55.654 54.000 0.223 0.000 0.833 172 D CB -0.162 40.800 40.800 0.270 0.000 0.961 172 D HN 0.448 nan 8.370 nan 0.000 0.470 173 I N -1.642 118.988 120.570 0.101 0.000 2.286 173 I HA -0.238 3.935 4.170 0.004 0.000 0.248 173 I C 2.120 178.288 176.117 0.084 0.000 1.115 173 I CA 1.504 62.869 61.300 0.108 0.000 1.392 173 I CB -0.532 37.520 38.000 0.086 0.000 1.065 173 I HN 0.057 nan 8.210 nan 0.000 0.418 174 H N 0.042 119.054 119.070 -0.096 0.000 2.387 174 H HA -0.137 4.421 4.556 0.003 0.000 0.299 174 H C 2.206 177.485 175.328 -0.081 0.000 1.090 174 H CA 2.279 58.251 56.048 -0.127 0.000 1.332 174 H CB -0.095 29.516 29.762 -0.250 0.000 1.386 174 H HN 0.392 nan 8.280 nan 0.000 0.516 175 Y N 0.469 120.784 120.300 0.025 0.000 2.089 175 Y HA -0.183 4.369 4.550 0.003 0.000 0.282 175 Y C 2.622 178.571 175.900 0.082 0.000 1.139 175 Y CA 0.578 58.627 58.100 -0.086 0.000 1.123 175 Y CB -0.722 37.481 38.460 -0.428 0.000 0.980 175 Y HN 0.068 nan 8.280 nan 0.000 0.493 176 I N 0.587 121.338 120.570 0.303 0.000 2.248 176 I HA -0.299 3.873 4.170 0.004 0.000 0.248 176 I C 2.375 178.640 176.117 0.247 0.000 1.107 176 I CA 1.186 62.638 61.300 0.253 0.000 1.373 176 I CB -1.004 37.119 38.000 0.206 0.000 1.055 176 I HN 0.343 nan 8.210 nan 0.000 0.418 177 I N -1.812 118.853 120.570 0.158 0.000 2.493 177 I HA -0.226 3.946 4.170 0.004 0.000 0.254 177 I C 2.465 178.610 176.117 0.046 0.000 1.160 177 I CA 1.133 62.475 61.300 0.070 0.000 1.445 177 I CB -0.621 37.403 38.000 0.039 0.000 1.086 177 I HN 0.092 nan 8.210 nan 0.000 0.433 178 R N 0.763 121.328 120.500 0.109 0.000 2.105 178 R HA -0.204 4.138 4.340 0.004 0.000 0.239 178 R C 2.555 178.900 176.300 0.075 0.000 1.135 178 R CA 1.849 58.006 56.100 0.095 0.000 0.967 178 R CB -0.872 29.515 30.300 0.145 0.000 0.861 178 R HN 0.685 nan 8.270 nan 0.000 0.442 179 H N 0.435 119.505 119.070 -0.001 0.000 2.428 179 H HA -0.063 4.495 4.556 0.004 0.000 0.296 179 H C 1.845 177.117 175.328 -0.092 0.000 1.062 179 H CA 1.000 57.013 56.048 -0.057 0.000 1.350 179 H CB 0.028 29.732 29.762 -0.096 0.000 1.403 179 H HN 0.099 nan 8.280 nan 0.000 0.533 180 L N 1.428 122.300 121.223 -0.586 0.000 2.156 180 L HA -0.041 4.301 4.340 0.004 0.000 0.208 180 L C 2.296 178.940 176.870 -0.376 0.000 1.095 180 L CA 1.569 56.002 54.840 -0.678 0.000 0.770 180 L CB -0.888 40.883 42.059 -0.481 0.000 0.914 180 L HN 0.244 nan 8.230 nan 0.000 0.439 181 T N -1.515 112.910 114.554 -0.216 0.000 3.160 181 T HA -0.085 4.267 4.350 0.004 0.000 0.257 181 T C 1.566 176.201 174.700 -0.107 0.000 1.147 181 T CA 0.398 62.423 62.100 -0.125 0.000 1.064 181 T CB 0.060 68.890 68.868 -0.063 0.000 0.949 181 T HN 0.207 nan 8.240 nan 0.000 0.526 182 E N 0.888 121.006 120.200 -0.136 0.000 2.209 182 E HA -0.057 4.296 4.350 0.004 0.000 0.196 182 E C 0.619 177.169 176.600 -0.083 0.000 0.993 182 E CA 0.963 57.307 56.400 -0.094 0.000 0.819 182 E CB 0.199 29.843 29.700 -0.094 0.000 0.745 182 E HN 0.384 nan 8.360 nan 0.000 0.477 190 S N 1.669 117.715 115.700 0.577 0.000 2.541 190 S HA -0.186 4.286 4.470 0.004 0.000 0.262 190 S C 0.765 175.449 174.600 0.139 0.000 1.321 190 S CA 1.420 59.760 58.200 0.234 0.000 1.243 190 S CB -0.907 62.362 63.200 0.115 0.000 1.531 190 S HN 0.826 nan 8.310 nan 0.000 0.656 191 K N 1.871 122.368 120.400 0.162 0.000 2.373 191 K HA 0.230 4.552 4.320 0.004 0.000 0.202 191 K C -0.289 176.385 176.600 0.124 0.000 1.025 191 K CA 0.616 56.979 56.287 0.127 0.000 1.115 191 K CB 0.394 32.952 32.500 0.095 0.000 0.858 191 K HN 0.521 nan 8.250 nan 0.000 0.525 192 S N 0.468 116.256 115.700 0.146 0.000 2.552 192 S HA 0.240 4.712 4.470 0.004 0.000 0.314 192 S C -0.324 174.297 174.600 0.035 0.000 1.099 192 S CA -1.037 57.211 58.200 0.080 0.000 1.070 192 S CB 0.687 63.955 63.200 0.114 0.000 0.998 192 S HN 0.407 nan 8.310 nan 0.000 0.474 193 H N 2.605 121.565 119.070 -0.184 0.000 2.430 193 H HA 0.674 5.232 4.556 0.004 0.000 0.359 193 H C -0.459 174.834 175.328 -0.058 0.000 1.672 193 H CA -0.906 54.901 56.048 -0.402 0.000 1.445 193 H CB 0.351 29.619 29.762 -0.824 0.000 1.642 193 H HN 0.659 nan 8.280 nan 0.000 0.593 194 L N -0.194 121.123 121.223 0.156 0.000 2.370 194 L HA 0.358 4.700 4.340 0.004 0.000 0.266 194 L C -1.028 176.045 176.870 0.339 0.000 1.002 194 L CA -0.885 54.054 54.840 0.164 0.000 0.818 194 L CB 1.978 44.152 42.059 0.191 0.000 1.325 194 L HN 0.894 nan 8.230 nan 0.000 0.418 195 Q N 3.099 123.028 119.800 0.215 0.000 3.429 195 Q HA 0.310 4.653 4.340 0.004 0.000 0.237 195 Q C -1.589 174.566 176.000 0.258 0.000 0.932 195 Q CA -0.396 55.563 55.803 0.261 0.000 0.731 195 Q CB 1.485 30.489 28.738 0.443 0.000 1.383 195 Q HN 0.513 nan 8.270 nan 0.000 0.446 196 V N 1.467 121.500 119.914 0.198 0.000 2.843 196 V HA 0.460 4.582 4.120 0.004 0.000 0.305 196 V C 0.507 176.607 176.094 0.010 0.000 1.065 196 V CA 0.310 62.729 62.300 0.198 0.000 1.116 196 V CB 1.137 33.170 31.823 0.352 0.000 0.968 196 V HN 0.716 nan 8.190 nan 0.000 0.487 197 A N 4.245 127.029 122.820 -0.061 0.000 2.299 197 A HA 0.852 5.174 4.320 0.004 0.000 0.332 197 A C -0.370 177.152 177.584 -0.103 0.000 1.131 197 A CA -0.803 51.040 52.037 -0.324 0.000 0.844 197 A CB 1.043 19.636 19.000 -0.679 0.000 1.251 197 A HN 0.939 nan 8.150 nan 0.000 0.486 198 N N 0.521 119.145 118.700 -0.126 0.000 2.225 198 N HA 0.362 5.104 4.740 0.004 0.000 0.298 198 N C -0.798 174.739 175.510 0.046 0.000 1.076 198 N CA -0.696 52.355 53.050 0.003 0.000 0.792 198 N CB 1.360 39.837 38.487 -0.018 0.000 1.498 198 N HN 0.634 nan 8.380 nan 0.000 0.474 199 E N 1.014 121.283 120.200 0.115 0.000 2.790 199 E HA 0.258 4.610 4.350 0.004 0.000 0.256 199 E C -0.015 176.702 176.600 0.194 0.000 1.246 199 E CA -0.880 55.599 56.400 0.133 0.000 1.041 199 E CB 0.929 30.717 29.700 0.147 0.000 1.272 199 E HN 0.611 nan 8.360 nan 0.000 0.603 200 L N 0.973 122.279 121.223 0.138 0.000 2.410 200 L HA 0.182 4.524 4.340 0.004 0.000 0.273 200 L C -0.583 176.321 176.870 0.056 0.000 1.144 200 L CA -0.245 54.644 54.840 0.082 0.000 0.863 200 L CB -0.155 41.814 42.059 -0.150 0.000 1.140 200 L HN 0.331 nan 8.230 nan 0.000 0.463 201 F N 5.041 124.888 119.950 -0.171 0.000 2.466 201 F HA 0.175 4.704 4.527 0.004 0.000 0.363 201 F C -0.280 175.460 175.800 -0.100 0.000 1.109 201 F CA -0.289 57.579 58.000 -0.221 0.000 1.161 201 F CB 0.252 38.941 39.000 -0.518 0.000 1.117 201 F HN 0.392 nan 8.300 nan 0.000 0.539 202 Y N 3.465 123.961 120.300 0.326 0.000 2.342 202 Y HA 0.606 5.158 4.550 0.003 0.000 0.334 202 Y C 0.069 176.329 175.900 0.599 0.000 1.067 202 Y CA -0.906 57.426 58.100 0.387 0.000 1.128 202 Y CB 1.569 40.123 38.460 0.158 0.000 1.200 202 Y HN 0.450 nan 8.280 nan 0.000 0.464 203 R N 2.947 123.855 120.500 0.681 0.000 2.604 203 R HA 0.306 4.648 4.340 0.004 0.000 0.270 203 R C -0.396 176.042 176.300 0.231 0.000 1.052 203 R CA -0.323 55.926 56.100 0.247 0.000 0.902 203 R CB 1.138 31.263 30.300 -0.292 0.000 1.233 203 R HN 1.074 nan 8.270 nan 0.000 0.455 204 N N 1.388 120.162 118.700 0.123 0.000 1.175 204 N HA -0.313 4.429 4.740 0.004 0.000 0.114 204 N C -0.399 175.247 175.510 0.227 0.000 0.804 204 N CA 1.457 54.571 53.050 0.107 0.000 0.858 204 N CB -0.432 38.051 38.487 -0.008 0.000 1.032 204 N HN 0.589 nan 8.380 nan 0.000 0.617 205 K N 1.314 121.723 120.400 0.014 0.000 2.546 205 K HA 0.324 4.646 4.320 0.004 0.000 0.198 205 K C -0.462 176.155 176.600 0.028 0.000 1.028 205 K CA 0.257 56.503 56.287 -0.069 0.000 1.150 205 K CB 0.130 32.325 32.500 -0.509 0.000 0.876 205 K HN 0.391 nan 8.250 nan 0.000 0.508 206 A N 0.236 123.063 122.820 0.012 0.000 2.479 206 A HA 0.837 5.159 4.320 0.004 0.000 0.296 206 A C -1.467 176.014 177.584 -0.170 0.000 1.121 206 A CA -0.753 51.167 52.037 -0.195 0.000 0.743 206 A CB 1.730 20.642 19.000 -0.146 0.000 1.323 206 A HN 0.107 nan 8.150 nan 0.000 0.415 207 A N -0.340 122.254 122.820 -0.377 0.000 2.422 207 A HA 0.669 4.991 4.320 0.004 0.000 0.302 207 A C -1.905 175.449 177.584 -0.383 0.000 1.041 207 A CA -0.300 51.502 52.037 -0.392 0.000 0.708 207 A CB 0.678 19.309 19.000 -0.614 0.000 1.257 207 A HN 0.827 nan 8.150 nan 0.000 0.414 208 W N 2.122 123.308 121.300 -0.190 0.000 2.361 208 W HA 0.560 5.221 4.660 0.003 0.000 0.314 208 W C -0.290 176.173 176.519 -0.094 0.000 1.041 208 W CA -0.275 57.013 57.345 -0.095 0.000 1.241 208 W CB 1.689 31.082 29.460 -0.111 0.000 1.279 208 W HN 0.593 nan 8.180 nan 0.000 0.436 209 L N 4.835 126.130 121.223 0.119 0.000 2.295 209 L HA 0.438 4.780 4.340 0.004 0.000 0.288 209 L C -0.287 176.694 176.870 0.184 0.000 1.079 209 L CA -0.460 54.462 54.840 0.138 0.000 0.830 209 L CB 0.291 42.439 42.059 0.149 0.000 1.200 209 L HN 0.232 nan 8.230 nan 0.000 0.438 210 V N 5.212 125.185 119.914 0.098 0.000 2.532 210 V HA 0.945 5.067 4.120 0.004 0.000 0.295 210 V C 0.275 176.512 176.094 0.238 0.000 1.041 210 V CA 0.252 62.581 62.300 0.049 0.000 0.926 210 V CB 1.530 33.074 31.823 -0.465 0.000 0.992 210 V HN 0.858 nan 8.190 nan 0.000 0.457 211 G N 4.760 113.778 108.800 0.364 0.000 2.547 211 G HA2 0.464 4.426 3.960 0.004 0.000 0.291 211 G HA3 0.464 4.426 3.960 0.004 0.000 0.291 211 G C -1.853 173.204 174.900 0.262 0.000 1.471 211 G CA -0.873 44.494 45.100 0.446 0.000 0.798 211 G HN 0.618 nan 8.290 nan 0.000 0.504 212 K N 0.460 120.935 120.400 0.125 0.000 2.394 212 K HA 0.420 4.742 4.320 0.004 0.000 0.260 212 K C -0.716 175.836 176.600 -0.080 0.000 0.967 212 K CA -0.714 55.533 56.287 -0.067 0.000 0.855 212 K CB 2.324 34.660 32.500 -0.274 0.000 1.101 212 K HN 0.335 nan 8.250 nan 0.000 0.433 213 L N 6.070 127.279 121.223 -0.023 0.000 2.356 213 L HA 0.310 4.652 4.340 0.004 0.000 0.282 213 L C -0.519 176.283 176.870 -0.113 0.000 1.132 213 L CA -0.505 54.294 54.840 -0.069 0.000 0.923 213 L CB -0.047 42.062 42.059 0.083 0.000 1.278 213 L HN 0.594 nan 8.230 nan 0.000 0.436 214 I N 4.495 124.914 120.570 -0.253 0.000 2.517 214 I HA 0.323 4.495 4.170 0.004 0.000 0.285 214 I C -0.264 175.773 176.117 -0.134 0.000 1.106 214 I CA 0.887 62.051 61.300 -0.227 0.000 1.402 214 I CB 0.405 38.181 38.000 -0.373 0.000 1.399 214 I HN 0.721 nan 8.210 nan 0.000 0.535 215 T N 7.816 122.333 114.554 -0.062 0.000 2.887 215 T HA 0.445 4.797 4.350 0.004 0.000 0.288 215 T C -1.925 172.773 174.700 -0.003 0.000 1.021 215 T CA -1.293 60.796 62.100 -0.018 0.000 1.000 215 T CB 1.442 70.298 68.868 -0.020 0.000 1.034 215 T HN 0.325 nan 8.240 nan 0.000 0.467 216 P HA -0.186 nan 4.420 nan 0.000 0.217 216 P C 1.585 178.892 177.300 0.011 0.000 1.158 216 P CA 1.303 64.416 63.100 0.022 0.000 0.887 216 P CB -0.066 31.652 31.700 0.030 0.000 0.792 217 S N -1.003 114.699 115.700 0.004 0.000 2.344 217 S HA 0.081 4.553 4.470 0.004 0.000 0.217 217 S C 1.411 176.008 174.600 -0.006 0.000 1.033 217 S CA 1.385 59.585 58.200 -0.001 0.000 1.017 217 S CB -0.997 62.199 63.200 -0.006 0.000 0.941 217 S HN 0.396 nan 8.310 nan 0.000 0.430 218 G N -0.463 108.330 108.800 -0.013 0.000 2.749 218 G HA2 0.511 4.473 3.960 0.004 0.000 0.300 218 G HA3 0.511 4.473 3.960 0.004 0.000 0.300 218 G C -1.373 173.508 174.900 -0.032 0.000 1.352 218 G CA -0.183 44.906 45.100 -0.020 0.000 0.789 218 G HN 0.239 nan 8.290 nan 0.000 0.509 219 T N -1.092 113.436 114.554 -0.044 0.000 2.856 219 T HA 0.747 5.099 4.350 0.004 0.000 0.283 219 T C -1.259 173.402 174.700 -0.064 0.000 1.008 219 T CA -0.368 61.693 62.100 -0.066 0.000 0.997 219 T CB 1.365 70.183 68.868 -0.084 0.000 0.992 219 T HN 0.572 nan 8.240 nan 0.000 0.454 220 L N 4.617 125.805 121.223 -0.059 0.000 2.479 220 L HA 0.692 5.034 4.340 0.004 0.000 0.255 220 L C -2.499 174.366 176.870 -0.010 0.000 1.026 220 L CA -2.090 52.729 54.840 -0.036 0.000 0.842 220 L CB 2.708 44.759 42.059 -0.014 0.000 1.444 220 L HN 0.497 nan 8.230 nan 0.000 0.409 221 P HA 0.291 nan 4.420 nan 0.000 0.273 221 P C -1.663 175.744 177.300 0.179 0.000 1.250 221 P CA 0.113 63.235 63.100 0.038 0.000 0.793 221 P CB 0.340 32.043 31.700 0.005 0.000 1.011 222 F N 0.745 120.705 119.950 0.016 0.000 3.483 222 F HA 0.276 4.805 4.527 0.004 0.000 0.393 222 F C -1.993 173.844 175.800 0.062 0.000 1.240 222 F CA -0.854 57.171 58.000 0.042 0.000 1.320 222 F CB 0.550 39.585 39.000 0.058 0.000 1.965 222 F HN -0.098 nan 8.300 nan 0.000 0.715 223 L N 6.244 127.458 121.223 -0.016 0.000 2.295 223 L HA 0.476 4.818 4.340 0.004 0.000 0.285 223 L C -0.388 176.425 176.870 -0.095 0.000 1.035 223 L CA -0.630 54.273 54.840 0.105 0.000 0.806 223 L CB 1.482 43.697 42.059 0.260 0.000 1.214 223 L HN 0.696 nan 8.230 nan 0.000 0.426 224 L N 5.607 126.843 121.223 0.022 0.000 2.556 224 L HA 0.326 4.668 4.340 0.004 0.000 0.243 224 L C -2.211 174.578 176.870 -0.135 0.000 1.331 224 L CA -1.379 53.411 54.840 -0.082 0.000 0.927 224 L CB 1.515 43.617 42.059 0.072 0.000 1.219 224 L HN 0.373 nan 8.230 nan 0.000 0.490 225 P HA 0.210 nan 4.420 nan 0.000 0.275 225 P C -0.582 176.493 177.300 -0.375 0.000 1.227 225 P CA 0.194 62.917 63.100 -0.628 0.000 0.781 225 P CB 0.853 31.837 31.700 -1.195 0.000 0.906 226 I N 2.341 122.757 120.570 -0.256 0.000 2.493 226 I HA 0.491 4.663 4.170 0.004 0.000 0.298 226 I C 0.614 176.774 176.117 0.071 0.000 0.998 226 I CA -0.670 60.582 61.300 -0.081 0.000 1.137 226 I CB 1.499 39.481 38.000 -0.029 0.000 1.310 226 I HN 0.398 nan 8.210 nan 0.000 0.445 227 H N 3.019 121.931 119.070 -0.264 0.000 3.048 227 H HA 0.539 5.097 4.556 0.003 0.000 0.296 227 H C -1.312 173.914 175.328 -0.170 0.000 1.508 227 H CA -0.777 55.077 56.048 -0.324 0.000 1.250 227 H CB 2.928 32.106 29.762 -0.974 0.000 1.896 227 H HN 0.533 nan 8.280 nan 0.000 0.604 228 Q N 0.383 120.168 119.800 -0.025 0.000 2.482 228 Q HA 0.240 4.583 4.340 0.004 0.000 0.286 228 Q C -1.608 174.588 176.000 0.326 0.000 1.007 228 Q CA -0.678 55.205 55.803 0.133 0.000 0.801 228 Q CB 2.622 31.369 28.738 0.014 0.000 1.455 228 Q HN 0.593 nan 8.270 nan 0.000 0.398 229 T N 2.705 117.454 114.554 0.325 0.000 2.782 229 T HA 0.144 4.496 4.350 0.004 0.000 0.298 229 T C -0.904 173.885 174.700 0.148 0.000 0.944 229 T CA -0.270 61.983 62.100 0.255 0.000 1.001 229 T CB 0.018 69.000 68.868 0.190 0.000 0.932 229 T HN 0.313 nan 8.240 nan 0.000 0.524 230 D N 4.665 125.137 120.400 0.119 0.000 2.359 230 D HA 0.057 4.699 4.640 0.004 0.000 0.273 230 D C 0.082 176.434 176.300 0.087 0.000 1.362 230 D CA 0.284 54.333 54.000 0.081 0.000 1.010 230 D CB 0.418 41.210 40.800 -0.014 0.000 1.090 230 D HN 0.671 nan 8.370 nan 0.000 0.521 231 D N 0.496 120.949 120.400 0.088 0.000 2.879 231 D HA 0.343 4.985 4.640 0.004 0.000 0.351 231 D C 0.862 177.194 176.300 0.054 0.000 1.239 231 D CA -0.898 53.160 54.000 0.096 0.000 0.771 231 D CB 0.712 41.571 40.800 0.098 0.000 1.176 231 D HN 0.303 nan 8.370 nan 0.000 0.496 232 G N 0.448 109.283 108.800 0.058 0.000 2.892 232 G HA2 0.102 4.064 3.960 0.004 0.000 0.184 232 G HA3 0.102 4.064 3.960 0.004 0.000 0.184 232 G C -0.453 174.481 174.900 0.058 0.000 1.238 232 G CA -0.529 44.607 45.100 0.061 0.000 0.722 232 G HN 0.296 nan 8.290 nan 0.000 0.777 233 E N 2.157 122.422 120.200 0.109 0.000 2.171 233 E HA 0.558 4.910 4.350 0.004 0.000 0.271 233 E C -0.596 176.128 176.600 0.207 0.000 0.916 233 E CA -0.912 55.573 56.400 0.142 0.000 0.774 233 E CB 2.213 32.017 29.700 0.172 0.000 1.128 233 E HN 0.337 nan 8.360 nan 0.000 0.403 234 L N 1.071 122.387 121.223 0.155 0.000 2.317 234 L HA 0.665 5.007 4.340 0.004 0.000 0.281 234 L C -0.910 176.161 176.870 0.335 0.000 1.024 234 L CA -1.054 53.896 54.840 0.184 0.000 0.810 234 L CB 0.021 42.072 42.059 -0.014 0.000 1.240 234 L HN 0.715 nan 8.230 nan 0.000 0.427 235 F N 1.217 121.273 119.950 0.177 0.000 2.539 235 F HA 0.637 5.167 4.527 0.004 0.000 0.328 235 F C -0.159 175.737 175.800 0.161 0.000 1.148 235 F CA -1.276 56.837 58.000 0.188 0.000 0.940 235 F CB 0.792 39.887 39.000 0.158 0.000 1.194 235 F HN 0.349 nan 8.300 nan 0.000 0.438 236 I N 3.534 124.212 120.570 0.181 0.000 2.775 236 I HA -0.019 4.153 4.170 0.004 0.000 0.290 236 I C -0.367 175.774 176.117 0.040 0.000 1.203 236 I CA 1.018 62.345 61.300 0.045 0.000 1.433 236 I CB 0.412 38.492 38.000 0.133 0.000 1.354 236 I HN 0.684 nan 8.210 nan 0.000 0.579 237 D N 4.337 124.580 120.400 -0.262 0.000 2.863 237 D HA 0.229 4.871 4.640 0.004 0.000 0.245 237 D C 0.141 176.020 176.300 -0.701 0.000 1.211 237 D CA -0.211 53.580 54.000 -0.347 0.000 0.888 237 D CB 1.672 42.176 40.800 -0.492 0.000 1.483 237 D HN 0.650 nan 8.370 nan 0.000 0.533 238 T N 1.641 115.512 114.554 -1.138 0.000 5.979 238 T HA -0.243 4.109 4.350 0.004 0.000 0.273 238 T C 0.549 174.705 174.700 -0.906 0.000 2.195 238 T CA 0.591 61.863 62.100 -1.380 0.000 3.693 238 T CB -1.805 66.230 68.868 -1.387 0.000 0.944 238 T HN 0.824 nan 8.240 nan 0.000 1.117 239 C N 1.491 120.392 119.300 -0.665 0.000 3.727 239 C HA -0.180 4.282 4.460 0.004 0.000 0.293 239 C C 0.625 175.210 174.990 -0.675 0.000 1.339 239 C CA 0.382 58.963 59.018 -0.728 0.000 2.150 239 C CB -2.262 24.930 27.740 -0.913 0.000 1.383 239 C HN 0.613 nan 8.230 nan 0.000 0.614 240 L N 1.262 122.221 121.223 -0.440 0.000 2.371 240 L HA 0.440 4.782 4.340 0.004 0.000 0.272 240 L C 1.140 177.897 176.870 -0.188 0.000 1.124 240 L CA 0.715 55.420 54.840 -0.226 0.000 0.816 240 L CB 0.824 42.863 42.059 -0.033 0.000 1.129 240 L HN 0.421 nan 8.230 nan 0.000 0.448 241 T N -1.216 113.307 114.554 -0.051 0.000 3.326 241 T HA 0.074 4.427 4.350 0.004 0.000 0.302 241 T C 0.013 174.736 174.700 0.038 0.000 0.908 241 T CA -0.233 61.889 62.100 0.038 0.000 0.933 241 T CB 0.346 69.316 68.868 0.169 0.000 1.194 241 T HN 0.691 nan 8.240 nan 0.000 0.585 242 T N 0.352 114.918 114.554 0.020 0.000 2.829 242 T HA 0.358 4.710 4.350 0.004 0.000 0.282 242 T C 1.382 176.086 174.700 0.006 0.000 0.990 242 T CA -0.531 61.576 62.100 0.012 0.000 1.028 242 T CB 1.721 70.593 68.868 0.007 0.000 0.951 242 T HN -0.129 nan 8.240 nan 0.000 0.460 243 T N 2.192 116.743 114.554 -0.005 0.000 2.699 243 T HA -0.159 4.193 4.350 0.004 0.000 0.268 243 T C 2.405 177.097 174.700 -0.013 0.000 1.036 243 T CA 1.577 63.669 62.100 -0.014 0.000 1.147 243 T CB -0.614 68.244 68.868 -0.017 0.000 0.862 243 T HN 0.815 nan 8.240 nan 0.000 0.446 244 A N 1.391 124.202 122.820 -0.015 0.000 1.940 244 A HA -0.148 4.174 4.320 0.004 0.000 0.219 244 A C 2.353 179.913 177.584 -0.041 0.000 1.176 244 A CA 1.407 53.421 52.037 -0.038 0.000 0.631 244 A CB -0.352 18.632 19.000 -0.028 0.000 0.814 244 A HN 0.280 nan 8.150 nan 0.000 0.446 245 E N -0.442 119.759 120.200 0.001 0.000 2.170 245 E HA 0.065 4.417 4.350 0.004 0.000 0.191 245 E C 2.338 178.984 176.600 0.077 0.000 0.981 245 E CA 0.979 57.403 56.400 0.041 0.000 0.830 245 E CB -0.493 29.243 29.700 0.060 0.000 0.775 245 E HN 0.516 nan 8.360 nan 0.000 0.470 246 A N 0.760 123.620 122.820 0.066 0.000 1.908 246 A HA -0.174 4.148 4.320 0.004 0.000 0.218 246 A C 2.456 180.123 177.584 0.138 0.000 1.181 246 A CA 2.016 54.114 52.037 0.101 0.000 0.627 246 A CB -0.542 18.460 19.000 0.004 0.000 0.818 246 A HN 0.214 nan 8.150 nan 0.000 0.445 247 S N 0.031 115.767 115.700 0.061 0.000 2.383 247 S HA -0.107 4.365 4.470 0.004 0.000 0.227 247 S C 1.784 176.432 174.600 0.080 0.000 1.026 247 S CA 1.374 59.616 58.200 0.070 0.000 0.981 247 S CB -0.381 62.830 63.200 0.019 0.000 0.818 247 S HN 0.509 nan 8.310 nan 0.000 0.472 248 I N 1.437 122.017 120.570 0.016 0.000 2.110 248 I HA -0.077 4.095 4.170 0.004 0.000 0.236 248 I C 2.577 178.704 176.117 0.017 0.000 1.068 248 I CA 0.851 62.148 61.300 -0.006 0.000 1.333 248 I CB -1.924 36.061 38.000 -0.024 0.000 1.054 248 I HN 0.235 nan 8.210 nan 0.000 0.402 249 V N 1.362 121.290 119.914 0.023 0.000 2.277 249 V HA -0.305 3.818 4.120 0.004 0.000 0.253 249 V C 2.034 178.011 176.094 -0.195 0.000 1.067 249 V CA 2.061 64.272 62.300 -0.148 0.000 1.047 249 V CB -0.693 30.946 31.823 -0.308 0.000 0.649 249 V HN 0.289 nan 8.190 nan 0.000 0.447 250 F N 1.417 121.349 119.950 -0.030 0.000 2.676 250 F HA 0.440 4.969 4.527 0.003 0.000 0.300 250 F C 1.480 177.326 175.800 0.076 0.000 1.160 250 F CA 0.222 58.264 58.000 0.070 0.000 1.401 250 F CB -0.700 38.358 39.000 0.096 0.000 1.037 250 F HN 0.301 nan 8.300 nan 0.000 0.522 251 G N -0.185 108.679 108.800 0.106 0.000 2.594 251 G HA2 0.082 4.044 3.960 0.004 0.000 0.243 251 G HA3 0.082 4.044 3.960 0.004 0.000 0.243 251 G C 0.632 175.579 174.900 0.079 0.000 1.229 251 G CA -0.462 44.680 45.100 0.069 0.000 0.843 251 G HN 0.426 nan 8.290 nan 0.000 0.578 252 F N -0.256 119.766 119.950 0.120 0.000 2.748 252 F HA 0.341 4.870 4.527 0.003 0.000 0.299 252 F C 1.842 177.680 175.800 0.064 0.000 1.154 252 F CA 0.416 58.493 58.000 0.128 0.000 1.446 252 F CB 0.104 39.175 39.000 0.117 0.000 1.112 252 F HN 0.331 nan 8.300 nan 0.000 0.584 253 A N 0.799 123.317 122.820 -0.505 0.000 2.308 253 A HA 0.364 4.686 4.320 0.004 0.000 0.217 253 A C 0.714 178.174 177.584 -0.207 0.000 1.216 253 A CA -0.560 51.270 52.037 -0.344 0.000 0.864 253 A CB -0.189 18.533 19.000 -0.464 0.000 0.902 253 A HN 0.412 nan 8.150 nan 0.000 0.499 254 R N -0.147 120.232 120.500 -0.203 0.000 2.740 254 R HA 0.586 4.928 4.340 0.004 0.000 0.282 254 R C -0.604 175.504 176.300 -0.320 0.000 0.969 254 R CA -0.587 55.375 56.100 -0.229 0.000 0.918 254 R CB 1.267 31.430 30.300 -0.229 0.000 1.175 254 R HN 0.111 nan 8.270 nan 0.000 0.464 255 S N 1.185 116.656 115.700 -0.383 0.000 2.576 255 S HA 0.076 4.548 4.470 0.004 0.000 0.272 255 S C 0.095 174.385 174.600 -0.517 0.000 1.352 255 S CA -0.300 57.576 58.200 -0.540 0.000 1.021 255 S CB 0.100 63.076 63.200 -0.374 0.000 0.887 255 S HN 0.351 nan 8.310 nan 0.000 0.542 256 Y N -0.351 119.837 120.300 -0.188 0.000 2.433 256 Y HA 0.409 4.961 4.550 0.003 0.000 0.411 256 Y C 0.328 176.037 175.900 -0.318 0.000 1.383 256 Y CA -0.732 57.267 58.100 -0.169 0.000 1.896 256 Y CB 0.309 38.782 38.460 0.021 0.000 1.750 256 Y HN 0.428 nan 8.280 nan 0.000 0.627 257 F N -0.045 120.017 119.950 0.186 0.000 2.507 257 F HA 0.369 4.898 4.527 0.003 0.000 0.327 257 F C -0.037 175.780 175.800 0.027 0.000 1.068 257 F CA -1.170 56.867 58.000 0.061 0.000 0.965 257 F CB 1.368 40.389 39.000 0.035 0.000 1.192 257 F HN 0.130 nan 8.300 nan 0.000 0.476 258 M N 4.036 123.822 119.600 0.310 0.000 3.117 258 M HA 0.256 4.738 4.480 0.004 0.000 0.292 258 M C -1.115 175.261 176.300 0.127 0.000 1.357 258 M CA -0.195 55.196 55.300 0.151 0.000 1.463 258 M CB -0.072 32.615 32.600 0.145 0.000 1.105 258 M HN 0.085 nan 8.290 nan 0.000 0.553 259 V N 2.717 122.611 119.914 -0.034 0.000 2.350 259 V HA 0.144 4.267 4.120 0.004 0.000 0.276 259 V C -0.260 175.828 176.094 -0.011 0.000 1.028 259 V CA -0.845 61.331 62.300 -0.206 0.000 0.860 259 V CB 1.034 32.503 31.823 -0.590 0.000 0.990 259 V HN 0.579 nan 8.190 nan 0.000 0.453 260 Y N 5.139 125.420 120.300 -0.032 0.000 2.517 260 Y HA 0.469 5.020 4.550 0.002 0.000 0.341 260 Y C 0.557 176.501 175.900 0.073 0.000 1.247 260 Y CA -0.308 57.807 58.100 0.025 0.000 1.774 260 Y CB -0.212 38.271 38.460 0.039 0.000 1.641 260 Y HN 0.703 nan 8.280 nan 0.000 0.457 261 A N 7.261 130.004 122.820 -0.129 0.000 2.285 261 A HA 0.524 4.846 4.320 0.004 0.000 0.310 261 A C -2.343 175.250 177.584 0.014 0.000 1.266 261 A CA -1.622 50.381 52.037 -0.057 0.000 0.832 261 A CB 0.949 19.983 19.000 0.057 0.000 1.163 261 A HN 0.593 nan 8.150 nan 0.000 0.499 262 P HA 0.135 nan 4.420 nan 0.000 0.251 262 P C -0.378 176.914 177.300 -0.013 0.000 1.223 262 P CA 0.285 63.389 63.100 0.006 0.000 0.796 262 P CB 0.456 32.094 31.700 -0.104 0.000 1.068 263 L N 1.183 122.429 121.223 0.038 0.000 2.415 263 L HA 0.363 4.705 4.340 0.004 0.000 0.268 263 L C -2.282 174.650 176.870 0.104 0.000 0.984 263 L CA -2.040 52.834 54.840 0.057 0.000 0.853 263 L CB 2.303 44.390 42.059 0.046 0.000 1.215 263 L HN -0.149 nan 8.230 nan 0.000 0.419 264 P HA 0.124 nan 4.420 nan 0.000 0.223 264 P C 1.278 178.656 177.300 0.129 0.000 1.148 264 P CA 0.539 63.741 63.100 0.170 0.000 0.870 264 P CB 0.646 32.499 31.700 0.256 0.000 0.859 265 A N 0.560 123.472 122.820 0.153 0.000 2.024 265 A HA -0.067 4.255 4.320 0.004 0.000 0.220 265 A C 2.254 179.823 177.584 -0.025 0.000 1.164 265 A CA 2.147 54.209 52.037 0.043 0.000 0.643 265 A CB -1.419 17.622 19.000 0.070 0.000 0.806 265 A HN 0.230 nan 8.150 nan 0.000 0.451 266 A N -0.826 122.044 122.820 0.084 0.000 1.903 266 A HA 0.187 4.509 4.320 0.004 0.000 0.213 266 A C 2.023 179.676 177.584 0.115 0.000 1.185 266 A CA 1.271 53.384 52.037 0.127 0.000 0.628 266 A CB -0.510 18.571 19.000 0.136 0.000 0.830 266 A HN 0.675 nan 8.150 nan 0.000 0.446 267 L N 0.238 121.523 121.223 0.104 0.000 2.131 267 L HA -0.062 4.280 4.340 0.004 0.000 0.210 267 L C 2.071 179.019 176.870 0.130 0.000 1.092 267 L CA 1.647 56.576 54.840 0.148 0.000 0.759 267 L CB -0.386 41.758 42.059 0.142 0.000 0.903 267 L HN 0.122 nan 8.230 nan 0.000 0.435 268 V N -0.278 119.625 119.914 -0.019 0.000 2.867 268 V HA -0.202 3.921 4.120 0.004 0.000 0.260 268 V C 2.501 178.521 176.094 -0.125 0.000 1.099 268 V CA 1.525 63.725 62.300 -0.167 0.000 1.122 268 V CB -0.642 30.865 31.823 -0.526 0.000 0.708 268 V HN 0.540 nan 8.190 nan 0.000 0.490 269 E N -0.774 119.416 120.200 -0.016 0.000 2.170 269 E HA -0.178 4.174 4.350 0.004 0.000 0.191 269 E C 1.848 178.525 176.600 0.127 0.000 0.981 269 E CA 0.950 57.397 56.400 0.077 0.000 0.830 269 E CB -0.261 29.552 29.700 0.187 0.000 0.775 269 E HN 0.627 nan 8.360 nan 0.000 0.470 270 W N 0.475 121.779 121.300 0.006 0.000 2.409 270 W HA -0.016 4.647 4.660 0.004 0.000 0.299 270 W C 1.319 177.818 176.519 -0.033 0.000 1.203 270 W CA 1.513 58.862 57.345 0.008 0.000 1.298 270 W CB 0.032 29.512 29.460 0.034 0.000 1.127 270 W HN 0.105 nan 8.180 nan 0.000 0.528 271 L N 0.070 121.367 121.223 0.124 0.000 2.492 271 L HA 0.142 4.484 4.340 0.004 0.000 0.223 271 L C 2.140 178.901 176.870 -0.181 0.000 1.132 271 L CA 0.417 55.207 54.840 -0.084 0.000 0.850 271 L CB -0.909 41.110 42.059 -0.067 0.000 0.966 271 L HN -0.209 nan 8.230 nan 0.000 0.454 272 R N 1.519 121.943 120.500 -0.126 0.000 2.261 272 R HA -0.185 4.157 4.340 0.004 0.000 0.236 272 R C 1.415 177.633 176.300 -0.136 0.000 1.141 272 R CA 1.424 57.456 56.100 -0.114 0.000 1.001 272 R CB -0.082 30.182 30.300 -0.059 0.000 0.866 272 R HN 0.587 nan 8.270 nan 0.000 0.468 273 E N -1.667 118.409 120.200 -0.207 0.000 2.526 273 E HA 0.119 4.471 4.350 0.004 0.000 0.208 273 E C 1.167 177.620 176.600 -0.244 0.000 0.997 273 E CA -0.039 56.234 56.400 -0.212 0.000 0.961 273 E CB 0.378 29.936 29.700 -0.237 0.000 1.030 273 E HN 0.300 nan 8.360 nan 0.000 0.483 274 I N 0.321 120.721 120.570 -0.283 0.000 2.852 274 I HA -0.008 4.164 4.170 0.004 0.000 0.264 274 I C 0.312 176.305 176.117 -0.207 0.000 1.179 274 I CA 0.694 61.841 61.300 -0.256 0.000 1.480 274 I CB 0.447 38.264 38.000 -0.304 0.000 1.111 274 I HN 0.075 nan 8.210 nan 0.000 0.441 275 L N 1.110 122.208 121.223 -0.207 0.000 2.488 275 L HA 0.298 4.640 4.340 0.004 0.000 0.250 275 L C -1.891 174.919 176.870 -0.100 0.000 1.280 275 L CA -0.949 53.796 54.840 -0.158 0.000 0.929 275 L CB 0.865 42.791 42.059 -0.221 0.000 1.200 275 L HN -0.189 nan 8.230 nan 0.000 0.495 276 P HA -0.116 nan 4.420 nan 0.000 0.216 276 P C 1.578 178.865 177.300 -0.023 0.000 1.150 276 P CA 1.102 64.172 63.100 -0.050 0.000 0.837 276 P CB 0.349 32.025 31.700 -0.040 0.000 0.786 277 G N -0.762 108.032 108.800 -0.009 0.000 2.572 277 G HA2 -0.097 3.865 3.960 0.004 0.000 0.216 277 G HA3 -0.097 3.865 3.960 0.004 0.000 0.216 277 G C 0.697 175.611 174.900 0.023 0.000 1.133 277 G CA 0.077 45.186 45.100 0.016 0.000 0.791 277 G HN 0.243 nan 8.290 nan 0.000 0.538 278 K N 1.073 121.477 120.400 0.006 0.000 2.276 278 K HA 0.259 4.582 4.320 0.004 0.000 0.259 278 K C 0.299 176.904 176.600 0.008 0.000 1.001 278 K CA 0.118 56.413 56.287 0.013 0.000 0.927 278 K CB 0.576 33.073 32.500 -0.006 0.000 0.969 278 K HN 0.175 nan 8.250 nan 0.000 0.490 279 T N -0.977 113.589 114.554 0.020 0.000 2.927 279 T HA 0.105 4.457 4.350 0.004 0.000 0.281 279 T C 1.309 175.997 174.700 -0.020 0.000 0.998 279 T CA -0.865 61.251 62.100 0.028 0.000 1.019 279 T CB 1.246 70.150 68.868 0.061 0.000 1.061 279 T HN 0.497 nan 8.240 nan 0.000 0.518 280 T N 0.530 115.072 114.554 -0.019 0.000 2.929 280 T HA 0.012 4.364 4.350 0.004 0.000 0.271 280 T C 1.975 176.602 174.700 -0.122 0.000 1.085 280 T CA 0.926 62.950 62.100 -0.126 0.000 1.125 280 T CB -0.340 68.499 68.868 -0.050 0.000 0.874 280 T HN 0.771 nan 8.240 nan 0.000 0.494 281 A N 1.041 123.885 122.820 0.040 0.000 2.220 281 A HA 0.201 4.523 4.320 0.004 0.000 0.211 281 A C 2.005 179.632 177.584 0.072 0.000 1.176 281 A CA 0.015 52.132 52.037 0.132 0.000 0.834 281 A CB 0.007 19.111 19.000 0.173 0.000 0.868 281 A HN 0.464 nan 8.150 nan 0.000 0.488 282 E N -0.141 120.080 120.200 0.034 0.000 2.299 282 E HA 0.050 4.403 4.350 0.004 0.000 0.193 282 E C 1.252 177.870 176.600 0.030 0.000 0.998 282 E CA 0.442 56.871 56.400 0.048 0.000 0.851 282 E CB -0.046 29.699 29.700 0.075 0.000 0.795 282 E HN 0.576 nan 8.360 nan 0.000 0.492 283 L N -0.285 120.908 121.223 -0.050 0.000 2.446 283 L HA -0.024 4.318 4.340 0.004 0.000 0.219 283 L C 1.597 178.403 176.870 -0.107 0.000 1.116 283 L CA 0.478 55.262 54.840 -0.093 0.000 0.844 283 L CB 0.034 41.965 42.059 -0.214 0.000 0.970 283 L HN 0.083 nan 8.230 nan 0.000 0.457 284 Y N -0.859 119.407 120.300 -0.056 0.000 2.475 284 Y HA 0.017 4.569 4.550 0.003 0.000 0.289 284 Y C 2.373 178.204 175.900 -0.115 0.000 1.121 284 Y CA 0.476 58.530 58.100 -0.076 0.000 1.257 284 Y CB -0.275 38.124 38.460 -0.102 0.000 1.026 284 Y HN 0.086 nan 8.280 nan 0.000 0.555 285 M N -0.715 118.845 119.600 -0.067 0.000 2.066 285 M HA -0.218 4.264 4.480 0.004 0.000 0.259 285 M C 2.598 178.579 176.300 -0.533 0.000 1.074 285 M CA 1.877 56.855 55.300 -0.536 0.000 1.114 285 M CB -0.745 31.504 32.600 -0.585 0.000 1.306 285 M HN 0.256 nan 8.290 nan 0.000 0.411 286 A N 1.570 124.367 122.820 -0.039 0.000 1.869 286 A HA -0.222 4.100 4.320 0.004 0.000 0.218 286 A C 2.028 179.837 177.584 0.374 0.000 1.203 286 A CA 2.289 54.531 52.037 0.341 0.000 0.638 286 A CB -1.443 17.912 19.000 0.592 0.000 0.831 286 A HN 0.712 nan 8.150 nan 0.000 0.450 287 I N -3.736 117.010 120.570 0.292 0.000 2.850 287 I HA 0.138 4.310 4.170 0.004 0.000 0.266 287 I C 1.523 177.812 176.117 0.287 0.000 1.257 287 I CA 1.375 62.827 61.300 0.254 0.000 1.465 287 I CB -0.809 37.317 38.000 0.209 0.000 1.091 287 I HN 0.570 nan 8.210 nan 0.000 0.467 288 G N 0.469 109.429 108.800 0.267 0.000 2.218 288 G HA2 -0.229 3.734 3.960 0.004 0.000 0.216 288 G HA3 -0.229 3.734 3.960 0.004 0.000 0.216 288 G C 0.323 175.412 174.900 0.316 0.000 0.994 288 G CA -0.012 45.292 45.100 0.341 0.000 0.637 288 G HN 0.430 nan 8.290 nan 0.000 0.505 289 C N 3.038 122.458 119.300 0.200 0.000 2.896 289 C HA 0.365 4.827 4.460 0.004 0.000 0.499 289 C C 2.044 177.045 174.990 0.018 0.000 1.022 289 C CA 0.650 59.692 59.018 0.041 0.000 1.127 289 C CB -0.818 26.927 27.740 0.008 0.000 1.452 289 C HN 0.644 nan 8.230 nan 0.000 0.580 290 Q N 1.511 121.306 119.800 -0.009 0.000 2.389 290 Q HA -0.017 4.325 4.340 0.004 0.000 0.204 290 Q C 1.555 177.519 176.000 -0.060 0.000 0.944 290 Q CA 1.027 56.785 55.803 -0.075 0.000 0.908 290 Q CB 0.014 28.739 28.738 -0.022 0.000 1.002 290 Q HN 0.581 nan 8.270 nan 0.000 0.493 291 K N -0.196 120.143 120.400 -0.101 0.000 2.459 291 K HA -0.055 4.268 4.320 0.004 0.000 0.193 291 K C 1.059 177.590 176.600 -0.114 0.000 1.030 291 K CA 0.546 56.691 56.287 -0.237 0.000 1.026 291 K CB 0.093 32.167 32.500 -0.710 0.000 0.809 291 K HN 0.461 nan 8.250 nan 0.000 0.504 292 H N -0.399 118.576 119.070 -0.158 0.000 2.595 292 H HA 0.195 4.753 4.556 0.003 0.000 0.265 292 H C 1.744 177.002 175.328 -0.116 0.000 0.953 292 H CA 0.561 56.472 56.048 -0.229 0.000 1.197 292 H CB 0.545 29.968 29.762 -0.566 0.000 1.438 292 H HN 0.146 nan 8.280 nan 0.000 0.531 293 A N 0.919 123.824 122.820 0.142 0.000 1.933 293 A HA -0.161 4.161 4.320 0.004 0.000 0.218 293 A C 2.165 179.842 177.584 0.156 0.000 1.175 293 A CA 1.525 53.672 52.037 0.182 0.000 0.628 293 A CB -0.331 18.712 19.000 0.072 0.000 0.814 293 A HN 0.389 nan 8.150 nan 0.000 0.444 294 K N -1.127 119.325 120.400 0.087 0.000 2.031 294 K HA -0.098 4.224 4.320 0.004 0.000 0.205 294 K C 2.131 178.828 176.600 0.163 0.000 1.049 294 K CA 1.668 58.023 56.287 0.115 0.000 0.939 294 K CB -0.319 32.202 32.500 0.035 0.000 0.717 294 K HN 0.410 nan 8.250 nan 0.000 0.438 295 T N 1.552 116.121 114.554 0.025 0.000 2.699 295 T HA -0.143 4.209 4.350 0.004 0.000 0.268 295 T C 1.535 176.285 174.700 0.083 0.000 1.036 295 T CA 1.368 63.438 62.100 -0.050 0.000 1.147 295 T CB -0.108 68.591 68.868 -0.281 0.000 0.862 295 T HN 0.280 nan 8.240 nan 0.000 0.446 296 E N 0.985 121.289 120.200 0.173 0.000 2.015 296 E HA -0.055 4.297 4.350 0.004 0.000 0.191 296 E C 2.703 179.458 176.600 0.259 0.000 0.991 296 E CA 1.061 57.622 56.400 0.268 0.000 0.802 296 E CB -0.569 29.369 29.700 0.396 0.000 0.759 296 E HN 0.408 nan 8.360 nan 0.000 0.447 297 S N 0.977 116.823 115.700 0.244 0.000 2.378 297 S HA -0.249 4.223 4.470 0.004 0.000 0.229 297 S C 1.921 176.716 174.600 0.326 0.000 1.052 297 S CA 1.775 60.118 58.200 0.238 0.000 1.084 297 S CB -0.796 62.509 63.200 0.175 0.000 0.950 297 S HN 0.345 nan 8.310 nan 0.000 0.440 298 Y N 2.228 122.659 120.300 0.218 0.000 2.165 298 Y HA -0.199 4.353 4.550 0.004 0.000 0.286 298 Y C 2.713 178.761 175.900 0.248 0.000 1.155 298 Y CA 1.929 60.170 58.100 0.235 0.000 1.164 298 Y CB -0.200 38.270 38.460 0.016 0.000 0.978 298 Y HN 0.067 nan 8.280 nan 0.000 0.513 299 R N 0.404 121.091 120.500 0.312 0.000 2.091 299 R HA -0.197 4.145 4.340 0.004 0.000 0.238 299 R C 2.019 178.449 176.300 0.216 0.000 1.136 299 R CA 2.197 58.396 56.100 0.164 0.000 0.959 299 R CB -0.194 30.182 30.300 0.127 0.000 0.856 299 R HN 0.515 nan 8.270 nan 0.000 0.437 300 E N -0.810 119.545 120.200 0.258 0.000 2.107 300 E HA -0.221 4.131 4.350 0.004 0.000 0.191 300 E C 1.789 178.577 176.600 0.314 0.000 0.982 300 E CA 1.136 57.694 56.400 0.262 0.000 0.809 300 E CB -0.340 29.516 29.700 0.260 0.000 0.756 300 E HN 0.447 nan 8.360 nan 0.000 0.459 301 Y N 1.771 122.244 120.300 0.287 0.000 2.070 301 Y HA -0.236 4.316 4.550 0.003 0.000 0.280 301 Y C 2.061 178.120 175.900 0.266 0.000 1.148 301 Y CA 1.266 59.643 58.100 0.462 0.000 1.125 301 Y CB -0.382 38.253 38.460 0.292 0.000 0.975 301 Y HN 0.006 nan 8.280 nan 0.000 0.492 302 L N 0.023 121.080 121.223 -0.277 0.000 2.551 302 L HA -0.040 4.302 4.340 0.004 0.000 0.228 302 L C 1.842 178.609 176.870 -0.171 0.000 1.153 302 L CA 0.807 55.379 54.840 -0.446 0.000 0.851 302 L CB -0.478 41.470 42.059 -0.185 0.000 0.959 302 L HN 0.312 nan 8.230 nan 0.000 0.451 303 V N -1.824 118.062 119.914 -0.047 0.000 2.346 303 V HA -0.257 3.865 4.120 0.004 0.000 0.244 303 V C 2.056 178.089 176.094 -0.103 0.000 1.037 303 V CA 1.412 63.706 62.300 -0.011 0.000 1.029 303 V CB -0.917 30.950 31.823 0.074 0.000 0.663 303 V HN 0.438 nan 8.190 nan 0.000 0.454 304 Y N 2.106 122.241 120.300 -0.275 0.000 2.030 304 Y HA -0.257 4.295 4.550 0.003 0.000 0.274 304 Y C 2.306 178.005 175.900 -0.335 0.000 1.153 304 Y CA 2.430 60.288 58.100 -0.403 0.000 1.115 304 Y CB -0.308 37.628 38.460 -0.873 0.000 0.969 304 Y HN 0.225 nan 8.280 nan 0.000 0.488 305 L N -1.023 120.039 121.223 -0.270 0.000 2.313 305 L HA -0.027 4.315 4.340 0.004 0.000 0.214 305 L C 1.059 177.801 176.870 -0.213 0.000 1.119 305 L CA 1.349 56.044 54.840 -0.241 0.000 0.809 305 L CB -1.721 40.202 42.059 -0.227 0.000 0.933 305 L HN 0.354 nan 8.230 nan 0.000 0.449 306 Q N 1.566 121.229 119.800 -0.228 0.000 2.265 306 Q HA 0.291 4.633 4.340 0.004 0.000 0.217 306 Q C 0.616 176.541 176.000 -0.125 0.000 0.916 306 Q CA 0.663 56.379 55.803 -0.144 0.000 0.948 306 Q CB 0.357 29.032 28.738 -0.105 0.000 1.020 306 Q HN 0.736 nan 8.270 nan 0.000 0.462 307 G N -0.227 108.463 108.800 -0.185 0.000 5.540 307 G HA2 0.170 4.133 3.960 0.004 0.000 0.197 307 G HA3 0.170 4.133 3.960 0.004 0.000 0.197 307 G C -0.195 174.534 174.900 -0.285 0.000 0.747 307 G CA 0.177 45.159 45.100 -0.196 0.000 0.706 307 G HN 0.371 nan 8.290 nan 0.000 0.292 308 C N -1.031 118.098 119.300 -0.286 0.000 3.213 308 C HA 0.805 5.268 4.460 0.004 0.000 0.378 308 C C -1.190 173.683 174.990 -0.195 0.000 2.095 308 C CA -1.080 57.747 59.018 -0.319 0.000 1.161 308 C CB 1.059 28.423 27.740 -0.626 0.000 2.466 308 C HN 0.243 nan 8.230 nan 0.000 0.426 309 N N 0.467 119.060 118.700 -0.179 0.000 2.295 309 N HA 0.486 5.228 4.740 0.004 0.000 0.293 309 N C -0.526 174.926 175.510 -0.097 0.000 1.040 309 N CA -0.238 52.736 53.050 -0.127 0.000 0.840 309 N CB 2.328 40.756 38.487 -0.098 0.000 1.468 309 N HN 0.868 nan 8.380 nan 0.000 0.478 310 E N 1.362 121.503 120.200 -0.099 0.000 3.100 310 E HA 0.161 4.513 4.350 0.004 0.000 0.191 310 E C -0.202 176.248 176.600 -0.250 0.000 1.097 310 E CA 0.067 56.369 56.400 -0.164 0.000 1.339 310 E CB 0.535 30.157 29.700 -0.130 0.000 1.330 310 E HN 0.442 nan 8.360 nan 0.000 0.511 311 Q N -0.376 119.318 119.800 -0.177 0.000 2.687 311 Q HA 0.475 4.817 4.340 0.004 0.000 0.305 311 Q C -1.309 174.616 176.000 -0.125 0.000 1.006 311 Q CA -0.979 54.728 55.803 -0.161 0.000 0.763 311 Q CB 1.701 30.376 28.738 -0.104 0.000 1.506 311 Q HN -0.005 nan 8.270 nan 0.000 0.459 312 F N 1.458 121.438 119.950 0.049 0.000 2.399 312 F HA 0.421 4.950 4.527 0.003 0.000 0.342 312 F C 0.438 176.243 175.800 0.009 0.000 1.106 312 F CA -0.380 57.639 58.000 0.032 0.000 1.196 312 F CB 0.590 39.525 39.000 -0.109 0.000 1.163 312 F HN 0.342 nan 8.300 nan 0.000 0.547 313 I N -1.394 119.331 120.570 0.259 0.000 3.294 313 I HA 0.609 4.781 4.170 0.004 0.000 0.311 313 I C -0.814 175.423 176.117 0.199 0.000 1.111 313 I CA -1.257 60.142 61.300 0.166 0.000 0.976 313 I CB 1.830 39.906 38.000 0.127 0.000 1.260 313 I HN 0.468 nan 8.210 nan 0.000 0.474 314 E N 1.736 122.020 120.200 0.141 0.000 2.313 314 E HA 0.553 4.906 4.350 0.004 0.000 0.276 314 E C -0.235 176.444 176.600 0.133 0.000 1.031 314 E CA -0.621 55.866 56.400 0.144 0.000 0.857 314 E CB 1.374 31.132 29.700 0.097 0.000 1.040 314 E HN 0.805 nan 8.360 nan 0.000 0.408 315 A N 5.150 128.046 122.820 0.127 0.000 2.466 315 A HA 0.270 4.593 4.320 0.004 0.000 0.238 315 A C -2.100 175.531 177.584 0.078 0.000 1.074 315 A CA -0.967 51.126 52.037 0.093 0.000 0.774 315 A CB -0.281 18.744 19.000 0.041 0.000 1.015 315 A HN 0.598 nan 8.150 nan 0.000 0.498 316 P HA 0.473 nan 4.420 nan 0.000 0.273 316 P C 0.820 178.173 177.300 0.088 0.000 1.250 316 P CA 1.339 64.490 63.100 0.084 0.000 0.793 316 P CB 0.439 32.194 31.700 0.091 0.000 1.011 317 G N -0.308 108.552 108.800 0.100 0.000 2.508 317 G HA2 -0.186 3.776 3.960 0.004 0.000 0.220 317 G HA3 -0.186 3.776 3.960 0.004 0.000 0.220 317 G C -0.738 174.222 174.900 0.100 0.000 1.287 317 G CA -0.621 44.548 45.100 0.115 0.000 0.916 317 G HN 0.536 nan 8.290 nan 0.000 0.574 318 I N 1.363 121.996 120.570 0.105 0.000 2.385 318 I HA 0.357 4.529 4.170 0.004 0.000 0.294 318 I C 1.189 177.350 176.117 0.073 0.000 0.988 318 I CA -0.647 60.705 61.300 0.087 0.000 1.265 318 I CB 1.274 39.328 38.000 0.089 0.000 1.388 318 I HN 0.433 nan 8.210 nan 0.000 0.480 319 R N 3.762 124.299 120.500 0.062 0.000 2.522 319 R HA 0.198 4.540 4.340 0.004 0.000 0.284 319 R C 0.403 176.729 176.300 0.045 0.000 1.032 319 R CA -0.185 55.945 56.100 0.051 0.000 1.049 319 R CB 0.265 30.594 30.300 0.048 0.000 0.956 319 R HN 0.804 nan 8.270 nan 0.000 0.422 320 G N 1.894 110.716 108.800 0.036 0.000 2.527 320 G HA2 0.046 4.008 3.960 0.004 0.000 0.248 320 G HA3 0.046 4.008 3.960 0.004 0.000 0.248 320 G C 0.658 175.574 174.900 0.027 0.000 1.231 320 G CA -0.564 44.553 45.100 0.028 0.000 0.838 320 G HN 0.649 nan 8.290 nan 0.000 0.570 321 M N 1.138 120.750 119.600 0.020 0.000 2.319 321 M HA -0.013 4.469 4.480 0.004 0.000 0.265 321 M C 1.826 178.141 176.300 0.024 0.000 1.068 321 M CA 0.970 56.282 55.300 0.020 0.000 1.118 321 M CB 0.138 32.743 32.600 0.008 0.000 1.395 321 M HN 0.432 nan 8.290 nan 0.000 0.435 322 V N -2.601 117.327 119.914 0.024 0.000 3.134 322 V HA 0.190 4.313 4.120 0.004 0.000 0.222 322 V C 1.017 177.129 176.094 0.030 0.000 1.247 322 V CA -0.187 62.132 62.300 0.033 0.000 1.281 322 V CB -0.341 31.507 31.823 0.042 0.000 1.169 322 V HN 0.151 nan 8.190 nan 0.000 0.512 323 M N 1.377 120.994 119.600 0.029 0.000 2.240 323 M HA 0.396 4.878 4.480 0.004 0.000 0.333 323 M C -0.667 175.635 176.300 0.002 0.000 1.110 323 M CA 0.319 55.627 55.300 0.012 0.000 1.173 323 M CB 1.150 33.762 32.600 0.019 0.000 1.458 323 M HN 0.173 nan 8.290 nan 0.000 0.458 324 L N 2.281 123.497 121.223 -0.011 0.000 2.295 324 L HA 0.476 4.818 4.340 0.004 0.000 0.281 324 L C -0.986 175.892 176.870 0.013 0.000 1.018 324 L CA -0.596 54.258 54.840 0.023 0.000 0.841 324 L CB 1.471 43.556 42.059 0.044 0.000 1.218 324 L HN 0.493 nan 8.230 nan 0.000 0.424 325 V N 6.060 125.985 119.914 0.017 0.000 2.384 325 V HA 0.601 4.723 4.120 0.004 0.000 0.287 325 V C -0.727 175.412 176.094 0.074 0.000 1.020 325 V CA -0.347 61.922 62.300 -0.053 0.000 0.850 325 V CB 1.303 33.073 31.823 -0.088 0.000 0.987 325 V HN 0.570 nan 8.190 nan 0.000 0.436 326 F N 3.658 123.630 119.950 0.037 0.000 2.640 326 F HA 0.977 5.506 4.527 0.003 0.000 0.324 326 F C -0.360 175.593 175.800 0.255 0.000 1.077 326 F CA -0.478 57.559 58.000 0.062 0.000 0.965 326 F CB 1.925 40.876 39.000 -0.081 0.000 1.351 326 F HN 0.581 nan 8.300 nan 0.000 0.487 327 T N 0.461 115.366 114.554 0.586 0.000 2.663 327 T HA 0.534 4.887 4.350 0.004 0.000 0.305 327 T C -2.521 172.551 174.700 0.620 0.000 1.660 327 T CA -0.615 61.884 62.100 0.665 0.000 0.976 327 T CB 1.305 70.396 68.868 0.372 0.000 1.705 327 T HN 1.209 nan 8.240 nan 0.000 0.494 328 L N 2.570 124.081 121.223 0.480 0.000 2.341 328 L HA 0.757 5.099 4.340 0.004 0.000 0.278 328 L C -2.138 174.869 176.870 0.227 0.000 1.005 328 L CA -1.835 53.133 54.840 0.213 0.000 0.818 328 L CB 1.725 43.810 42.059 0.044 0.000 1.259 328 L HN 0.361 nan 8.230 nan 0.000 0.418 329 P HA -0.072 nan 4.420 nan 0.000 0.220 329 P C 1.073 178.460 177.300 0.145 0.000 1.144 329 P CA 1.627 64.809 63.100 0.137 0.000 0.800 329 P CB 0.239 31.998 31.700 0.099 0.000 0.772 330 G N -2.684 106.228 108.800 0.186 0.000 2.595 330 G HA2 -0.043 3.919 3.960 0.004 0.000 0.213 330 G HA3 -0.043 3.919 3.960 0.004 0.000 0.213 330 G C 0.214 175.139 174.900 0.042 0.000 1.141 330 G CA -0.056 45.156 45.100 0.186 0.000 0.806 330 G HN 0.114 nan 8.290 nan 0.000 0.530 331 F N 2.259 122.098 119.950 -0.186 0.000 2.418 331 F HA 0.254 4.783 4.527 0.003 0.000 0.341 331 F C 1.389 177.100 175.800 -0.148 0.000 1.120 331 F CA -1.849 55.943 58.000 -0.347 0.000 1.232 331 F CB 1.500 40.378 39.000 -0.205 0.000 1.175 331 F HN 0.316 nan 8.300 nan 0.000 0.569 332 D N 1.093 121.641 120.400 0.247 0.000 2.363 332 D HA -0.003 4.639 4.640 0.004 0.000 0.220 332 D C 0.092 176.239 176.300 -0.255 0.000 0.994 332 D CA 0.676 54.654 54.000 -0.037 0.000 0.890 332 D CB 0.112 40.902 40.800 -0.018 0.000 0.906 332 D HN 0.320 nan 8.370 nan 0.000 0.530 333 R N -0.065 120.163 120.500 -0.453 0.000 2.795 333 R HA 0.611 4.953 4.340 0.004 0.000 0.275 333 R C -1.208 174.779 176.300 -0.523 0.000 0.981 333 R CA -1.137 54.613 56.100 -0.584 0.000 0.917 333 R CB 2.629 32.443 30.300 -0.810 0.000 1.202 333 R HN -0.030 nan 8.270 nan 0.000 0.469 334 V N -0.225 119.358 119.914 -0.552 0.000 2.769 334 V HA 0.649 4.772 4.120 0.004 0.000 0.312 334 V C -0.695 174.999 176.094 -0.666 0.000 1.058 334 V CA -1.013 61.056 62.300 -0.385 0.000 0.952 334 V CB 1.499 33.151 31.823 -0.286 0.000 1.019 334 V HN 0.547 nan 8.190 nan 0.000 0.445 335 F N 0.953 120.535 119.950 -0.613 0.000 2.427 335 F HA 0.616 5.145 4.527 0.004 0.000 0.348 335 F C 0.240 175.566 175.800 -0.790 0.000 1.125 335 F CA -0.788 56.716 58.000 -0.827 0.000 0.989 335 F CB 1.775 39.924 39.000 -1.419 0.000 1.165 335 F HN 0.342 nan 8.300 nan 0.000 0.442 336 K N 3.728 123.930 120.400 -0.330 0.000 2.347 336 K HA 0.494 4.816 4.320 0.004 0.000 0.262 336 K C -0.919 175.519 176.600 -0.270 0.000 1.052 336 K CA -0.472 55.667 56.287 -0.246 0.000 0.946 336 K CB 1.390 33.807 32.500 -0.138 0.000 1.220 336 K HN 0.403 nan 8.250 nan 0.000 0.450 337 V N 3.562 123.347 119.914 -0.214 0.000 2.539 337 V HA 0.408 4.530 4.120 0.004 0.000 0.292 337 V C 0.132 176.136 176.094 -0.151 0.000 1.045 337 V CA -1.160 61.020 62.300 -0.200 0.000 0.945 337 V CB 0.922 32.719 31.823 -0.044 0.000 0.993 337 V HN 0.425 nan 8.190 nan 0.000 0.464 338 I N 2.904 123.358 120.570 -0.194 0.000 2.488 338 I HA 0.437 4.609 4.170 0.004 0.000 0.299 338 I C 0.508 176.609 176.117 -0.026 0.000 0.984 338 I CA -0.428 60.822 61.300 -0.083 0.000 1.250 338 I CB 0.691 38.658 38.000 -0.055 0.000 1.389 338 I HN 0.558 nan 8.210 nan 0.000 0.488 339 K N 3.161 123.566 120.400 0.008 0.000 2.117 339 K HA 0.224 4.546 4.320 0.004 0.000 0.240 339 K C -0.096 176.522 176.600 0.030 0.000 1.031 339 K CA -0.596 55.701 56.287 0.016 0.000 0.909 339 K CB 0.684 33.200 32.500 0.025 0.000 1.097 339 K HN 0.501 nan 8.250 nan 0.000 0.492 340 D N 0.727 121.141 120.400 0.023 0.000 2.346 340 D HA -0.036 4.606 4.640 0.004 0.000 0.206 340 D C 0.861 177.196 176.300 0.058 0.000 1.001 340 D CA 0.432 54.450 54.000 0.030 0.000 0.871 340 D CB 0.401 41.201 40.800 -0.000 0.000 0.943 340 D HN 0.574 nan 8.370 nan 0.000 0.518 341 K N -1.756 118.688 120.400 0.074 0.000 8.070 341 K HA -0.283 4.039 4.320 0.004 0.000 0.487 341 K C -0.113 176.643 176.600 0.259 0.000 0.363 341 K CA 1.422 57.787 56.287 0.131 0.000 1.957 341 K CB -0.513 32.052 32.500 0.109 0.000 0.676 341 K HN 0.209 nan 8.250 nan 0.000 0.908 342 F N -3.839 116.117 119.950 0.010 0.000 3.332 342 F HA 0.432 4.962 4.527 0.004 0.000 0.327 342 F C 0.493 176.298 175.800 0.007 0.000 1.128 342 F CA 0.030 58.035 58.000 0.008 0.000 0.854 342 F CB 0.096 39.100 39.000 0.008 0.000 1.500 342 F HN -0.036 nan 8.300 nan 0.000 0.485 343 A N 0.709 123.586 122.820 0.096 0.000 1.855 343 A HA 0.091 4.413 4.320 0.004 0.000 0.215 343 A C -0.917 176.737 177.584 0.117 0.000 1.191 343 A CA 2.059 54.129 52.037 0.056 0.000 0.613 343 A CB -1.873 17.146 19.000 0.032 0.000 0.829 343 A HN 0.578 nan 8.150 nan 0.000 0.442 344 P HA -0.081 nan 4.420 nan 0.000 0.218 344 P C -0.221 177.129 177.300 0.083 0.000 1.149 344 P CA 0.620 63.785 63.100 0.107 0.000 0.817 344 P CB -0.104 31.656 31.700 0.099 0.000 0.785 345 Q N 1.938 121.802 119.800 0.107 0.000 2.255 345 Q HA 0.025 4.367 4.340 0.004 0.000 0.280 345 Q C 0.360 176.392 176.000 0.054 0.000 1.068 345 Q CA 0.580 56.429 55.803 0.077 0.000 0.911 345 Q CB -0.097 28.698 28.738 0.095 0.000 1.157 345 Q HN 0.409 nan 8.270 nan 0.000 0.380 346 K N 1.624 122.046 120.400 0.037 0.000 2.265 346 K HA 0.323 4.645 4.320 0.004 0.000 0.267 346 K C -0.479 176.131 176.600 0.016 0.000 0.994 346 K CA -0.536 55.764 56.287 0.023 0.000 0.860 346 K CB 1.370 33.880 32.500 0.016 0.000 1.099 346 K HN 0.347 nan 8.250 nan 0.000 0.448 347 E N 4.625 124.831 120.200 0.010 0.000 2.222 347 E HA 0.016 4.368 4.350 0.004 0.000 0.312 347 E C -0.230 176.359 176.600 -0.017 0.000 1.263 347 E CA -0.016 56.383 56.400 -0.001 0.000 1.356 347 E CB 0.130 29.828 29.700 -0.003 0.000 1.180 347 E HN 0.512 nan 8.360 nan 0.000 0.494 348 M N 1.263 120.857 119.600 -0.010 0.000 2.233 348 M HA 0.085 4.567 4.480 0.004 0.000 0.350 348 M C -0.192 176.095 176.300 -0.020 0.000 1.176 348 M CA 0.490 55.780 55.300 -0.017 0.000 1.150 348 M CB 0.869 33.465 32.600 -0.008 0.000 1.530 348 M HN 0.074 nan 8.290 nan 0.000 0.459 349 S N 1.980 117.661 115.700 -0.032 0.000 2.599 349 S HA 0.857 5.329 4.470 0.004 0.000 0.294 349 S C -0.223 174.363 174.600 -0.023 0.000 1.094 349 S CA -0.247 57.933 58.200 -0.033 0.000 0.931 349 S CB 2.089 65.247 63.200 -0.071 0.000 1.093 349 S HN 0.780 nan 8.310 nan 0.000 0.488 350 A N 0.501 123.315 122.820 -0.010 0.000 2.664 350 A HA 0.707 5.030 4.320 0.004 0.000 0.222 350 A C 0.640 178.228 177.584 0.006 0.000 1.320 350 A CA 0.433 52.467 52.037 -0.005 0.000 1.029 350 A CB -0.498 18.504 19.000 0.003 0.000 1.318 350 A HN 1.095 nan 8.150 nan 0.000 0.589 351 A N 0.016 122.848 122.820 0.020 0.000 2.615 351 A HA 0.141 4.463 4.320 0.004 0.000 0.230 351 A C 1.240 178.892 177.584 0.113 0.000 1.062 351 A CA 0.859 52.941 52.037 0.075 0.000 0.758 351 A CB -0.254 18.806 19.000 0.099 0.000 0.995 351 A HN 0.545 nan 8.150 nan 0.000 0.511 352 H N 1.269 120.370 119.070 0.052 0.000 2.321 352 H HA -0.121 4.437 4.556 0.004 0.000 0.300 352 H C 1.884 177.265 175.328 0.089 0.000 1.087 352 H CA 2.482 58.560 56.048 0.049 0.000 1.319 352 H CB -0.271 29.511 29.762 0.034 0.000 1.379 352 H HN 0.352 nan 8.280 nan 0.000 0.501 353 V N 1.675 121.806 119.914 0.362 0.000 2.255 353 V HA -0.279 3.843 4.120 0.004 0.000 0.247 353 V C 2.740 179.090 176.094 0.428 0.000 1.051 353 V CA 2.287 64.812 62.300 0.376 0.000 1.018 353 V CB -0.575 31.442 31.823 0.323 0.000 0.641 353 V HN 0.376 nan 8.190 nan 0.000 0.445 354 R N 0.532 121.243 120.500 0.352 0.000 2.159 354 R HA -0.109 4.234 4.340 0.004 0.000 0.237 354 R C 2.357 178.801 176.300 0.240 0.000 1.131 354 R CA 1.342 57.658 56.100 0.360 0.000 0.982 354 R CB -0.605 29.835 30.300 0.234 0.000 0.868 354 R HN 0.571 nan 8.270 nan 0.000 0.453 355 A N 0.713 123.613 122.820 0.135 0.000 1.929 355 A HA -0.126 4.196 4.320 0.004 0.000 0.216 355 A C 2.297 179.881 177.584 0.000 0.000 1.176 355 A CA 1.164 53.212 52.037 0.018 0.000 0.628 355 A CB -0.489 18.439 19.000 -0.121 0.000 0.816 355 A HN 0.443 nan 8.150 nan 0.000 0.444 356 C N -2.358 116.970 119.300 0.046 0.000 2.446 356 C HA 0.027 4.489 4.460 0.004 0.000 0.279 356 C C 2.374 177.255 174.990 -0.182 0.000 1.366 356 C CA 0.446 59.435 59.018 -0.048 0.000 1.763 356 C CB -1.751 26.007 27.740 0.030 0.000 1.929 356 C HN 0.668 nan 8.230 nan 0.000 0.509 357 Y N 1.013 121.273 120.300 -0.066 0.000 2.337 357 Y HA -0.126 4.426 4.550 0.003 0.000 0.293 357 Y C 2.742 178.497 175.900 -0.243 0.000 1.123 357 Y CA 1.732 59.687 58.100 -0.242 0.000 1.201 357 Y CB -0.322 37.911 38.460 -0.377 0.000 1.011 357 Y HN 0.264 nan 8.280 nan 0.000 0.545 358 Q N 0.404 120.232 119.800 0.048 0.000 2.096 358 Q HA -0.074 4.268 4.340 0.004 0.000 0.197 358 Q C 1.635 177.637 176.000 0.003 0.000 0.964 358 Q CA 1.071 56.894 55.803 0.034 0.000 0.838 358 Q CB -0.362 28.423 28.738 0.078 0.000 0.906 358 Q HN 0.530 nan 8.270 nan 0.000 0.444 359 L N 0.137 121.348 121.223 -0.020 0.000 2.762 359 L HA 0.085 4.427 4.340 0.004 0.000 0.250 359 L C -0.088 176.770 176.870 -0.019 0.000 1.160 359 L CA 0.140 54.987 54.840 0.011 0.000 0.951 359 L CB 0.242 42.276 42.059 -0.042 0.000 1.148 359 L HN 0.103 nan 8.230 nan 0.000 0.424 360 V N -2.216 117.630 119.914 -0.113 0.000 3.426 360 V HA 0.060 4.182 4.120 0.004 0.000 0.279 360 V C 1.825 177.843 176.094 -0.127 0.000 1.544 360 V CA -0.077 62.113 62.300 -0.182 0.000 1.017 360 V CB 0.825 32.337 31.823 -0.517 0.000 0.821 360 V HN 0.179 nan 8.190 nan 0.000 0.432 361 K N 1.766 122.117 120.400 -0.082 0.000 2.209 361 K HA -0.103 4.219 4.320 0.004 0.000 0.204 361 K C 1.907 178.491 176.600 -0.027 0.000 1.048 361 K CA 1.659 57.923 56.287 -0.039 0.000 0.940 361 K CB 0.109 32.614 32.500 0.009 0.000 0.729 361 K HN 0.724 nan 8.250 nan 0.000 0.451 362 E N -1.895 118.303 120.200 -0.004 0.000 2.434 362 E HA -0.010 4.342 4.350 0.004 0.000 0.207 362 E C 0.417 176.998 176.600 -0.031 0.000 0.929 362 E CA -0.206 56.175 56.400 -0.031 0.000 1.001 362 E CB -0.192 29.499 29.700 -0.015 0.000 1.016 362 E HN 0.245 nan 8.360 nan 0.000 0.502 363 H N 1.738 120.766 119.070 -0.071 0.000 2.730 363 H HA 0.056 4.614 4.556 0.004 0.000 0.376 363 H C -0.525 174.736 175.328 -0.112 0.000 1.299 363 H CA 0.561 56.570 56.048 -0.065 0.000 1.447 363 H CB 0.940 30.678 29.762 -0.039 0.000 1.493 363 H HN -0.061 nan 8.280 nan 0.000 0.619 364 D N 1.108 121.476 120.400 -0.054 0.000 2.313 364 D HA 0.090 4.732 4.640 0.004 0.000 0.239 364 D C 0.743 177.094 176.300 0.084 0.000 1.142 364 D CA -0.261 53.717 54.000 -0.037 0.000 0.847 364 D CB 0.638 41.367 40.800 -0.118 0.000 1.082 364 D HN 0.476 nan 8.370 nan 0.000 0.480 365 R N 1.637 122.114 120.500 -0.038 0.000 2.100 365 R HA 0.070 4.412 4.340 0.004 0.000 0.220 365 R C 1.342 177.604 176.300 -0.064 0.000 1.091 365 R CA 0.084 56.153 56.100 -0.051 0.000 0.986 365 R CB 0.044 30.285 30.300 -0.098 0.000 0.888 365 R HN 0.300 nan 8.270 nan 0.000 0.444 366 V N -1.161 118.692 119.914 -0.101 0.000 2.348 366 V HA -0.235 3.887 4.120 0.004 0.000 0.127 366 V C 0.993 177.027 176.094 -0.099 0.000 0.718 366 V CA 1.292 63.531 62.300 -0.101 0.000 1.447 366 V CB -1.772 30.003 31.823 -0.079 0.000 1.517 366 V HN 0.672 nan 8.190 nan 0.000 0.999 367 G N -0.969 107.767 108.800 -0.108 0.000 2.201 367 G HA2 -0.221 3.742 3.960 0.004 0.000 0.212 367 G HA3 -0.221 3.742 3.960 0.004 0.000 0.212 367 G C 0.338 175.192 174.900 -0.077 0.000 0.994 367 G CA 0.222 45.254 45.100 -0.114 0.000 0.644 367 G HN 0.497 nan 8.290 nan 0.000 0.508 368 R N -0.549 119.932 120.500 -0.031 0.000 2.437 368 R HA 0.545 4.887 4.340 0.004 0.000 0.257 368 R C 0.677 177.035 176.300 0.096 0.000 0.927 368 R CA 0.171 56.296 56.100 0.043 0.000 1.078 368 R CB 0.212 30.536 30.300 0.039 0.000 1.161 368 R HN 0.498 nan 8.270 nan 0.000 0.529 369 M N -0.229 119.405 119.600 0.056 0.000 2.446 369 M HA 0.579 5.061 4.480 0.004 0.000 0.294 369 M C -1.237 175.120 176.300 0.094 0.000 1.158 369 M CA -0.730 54.639 55.300 0.116 0.000 0.899 369 M CB 2.987 35.611 32.600 0.040 0.000 1.687 369 M HN -0.051 nan 8.290 nan 0.000 0.455 370 A N 1.914 124.870 122.820 0.226 0.000 2.355 370 A HA 0.651 4.973 4.320 0.004 0.000 0.324 370 A C -1.127 176.588 177.584 0.219 0.000 1.117 370 A CA -0.606 51.605 52.037 0.290 0.000 0.785 370 A CB 1.224 20.519 19.000 0.492 0.000 1.254 370 A HN 0.851 nan 8.150 nan 0.000 0.453 371 D N -0.179 120.334 120.400 0.189 0.000 2.433 371 D HA 0.604 5.247 4.640 0.004 0.000 0.255 371 D C 0.749 177.103 176.300 0.090 0.000 1.226 371 D CA 0.959 55.022 54.000 0.105 0.000 1.015 371 D CB 0.884 41.776 40.800 0.154 0.000 1.091 371 D HN 0.748 nan 8.370 nan 0.000 0.527 372 T N -1.952 112.621 114.554 0.032 0.000 2.654 372 T HA 0.629 4.981 4.350 0.004 0.000 0.289 372 T C -1.094 173.566 174.700 -0.067 0.000 1.062 372 T CA -0.843 61.233 62.100 -0.041 0.000 1.041 372 T CB 1.353 70.154 68.868 -0.112 0.000 1.417 372 T HN 0.388 nan 8.240 nan 0.000 0.510 373 Q N -0.061 119.656 119.800 -0.138 0.000 2.456 373 Q HA 0.587 4.929 4.340 0.004 0.000 0.283 373 Q C -1.694 174.125 176.000 -0.302 0.000 1.084 373 Q CA -0.791 54.862 55.803 -0.251 0.000 0.801 373 Q CB 2.341 30.856 28.738 -0.371 0.000 1.434 373 Q HN 0.762 nan 8.270 nan 0.000 0.419 374 E N 2.164 122.131 120.200 -0.388 0.000 2.224 374 E HA 0.412 4.764 4.350 0.004 0.000 0.265 374 E C -1.572 174.775 176.600 -0.420 0.000 0.878 374 E CA -0.458 55.767 56.400 -0.291 0.000 0.759 374 E CB 0.790 30.482 29.700 -0.014 0.000 1.164 374 E HN 0.452 nan 8.360 nan 0.000 0.414 375 F N 2.734 122.762 119.950 0.131 0.000 2.507 375 F HA 0.282 4.811 4.527 0.003 0.000 0.325 375 F C 1.257 177.091 175.800 0.056 0.000 1.116 375 F CA -1.058 57.078 58.000 0.227 0.000 0.930 375 F CB 1.757 40.909 39.000 0.253 0.000 1.146 375 F HN 0.497 nan 8.300 nan 0.000 0.447 376 E N 1.624 121.765 120.200 -0.099 0.000 2.046 376 E HA -0.049 4.303 4.350 0.004 0.000 0.190 376 E C -0.158 176.508 176.600 0.109 0.000 0.982 376 E CA 1.299 57.594 56.400 -0.176 0.000 0.800 376 E CB 0.144 29.532 29.700 -0.520 0.000 0.756 376 E HN 0.550 nan 8.360 nan 0.000 0.449 377 N N 0.014 118.852 118.700 0.230 0.000 2.524 377 N HA 0.140 4.883 4.740 0.004 0.000 0.261 377 N C -1.667 173.981 175.510 0.230 0.000 0.998 377 N CA -0.333 52.840 53.050 0.205 0.000 0.915 377 N CB 0.829 39.409 38.487 0.155 0.000 1.187 377 N HN 0.051 nan 8.380 nan 0.000 0.507 378 F N 3.182 123.194 119.950 0.102 0.000 2.404 378 F HA 0.293 4.822 4.527 0.004 0.000 0.354 378 F C 0.155 175.981 175.800 0.044 0.000 1.122 378 F CA -0.872 57.163 58.000 0.058 0.000 1.080 378 F CB 1.047 40.102 39.000 0.092 0.000 1.131 378 F HN 0.041 nan 8.300 nan 0.000 0.471 379 V N 8.468 128.624 119.914 0.404 0.000 2.427 379 V HA 0.303 4.425 4.120 0.004 0.000 0.268 379 V C -0.793 175.578 176.094 0.462 0.000 1.046 379 V CA -0.116 62.371 62.300 0.313 0.000 0.970 379 V CB 0.719 32.625 31.823 0.139 0.000 1.001 379 V HN 0.682 nan 8.190 nan 0.000 0.476 380 L N 5.625 126.991 121.223 0.240 0.000 2.325 380 L HA 0.525 4.867 4.340 0.004 0.000 0.278 380 L C 0.106 177.032 176.870 0.094 0.000 1.023 380 L CA -0.389 54.522 54.840 0.118 0.000 0.811 380 L CB 1.858 43.822 42.059 -0.157 0.000 1.249 380 L HN 0.631 nan 8.230 nan 0.000 0.431 381 E N 1.771 122.044 120.200 0.122 0.000 2.406 381 E HA -0.064 4.288 4.350 0.004 0.000 0.258 381 E C 0.608 177.270 176.600 0.103 0.000 1.043 381 E CA 0.073 56.548 56.400 0.125 0.000 0.929 381 E CB 0.435 30.228 29.700 0.155 0.000 0.969 381 E HN 0.277 nan 8.360 nan 0.000 0.462 382 K N 3.515 123.957 120.400 0.069 0.000 2.209 382 K HA -0.180 4.142 4.320 0.004 0.000 0.204 382 K C 1.023 177.655 176.600 0.053 0.000 1.048 382 K CA 1.411 57.721 56.287 0.040 0.000 0.940 382 K CB 0.239 32.756 32.500 0.028 0.000 0.729 382 K HN 0.317 nan 8.250 nan 0.000 0.451 383 R N -1.902 118.653 120.500 0.092 0.000 2.246 383 R HA 0.125 4.467 4.340 0.004 0.000 0.199 383 R C 1.295 177.646 176.300 0.084 0.000 0.984 383 R CA 0.922 57.069 56.100 0.079 0.000 1.015 383 R CB -0.531 29.817 30.300 0.080 0.000 0.930 383 R HN 0.236 nan 8.270 nan 0.000 0.475 384 H N 0.045 119.141 119.070 0.044 0.000 2.539 384 H HA 0.240 4.798 4.556 0.004 0.000 0.267 384 H C -0.211 175.171 175.328 0.089 0.000 0.982 384 H CA -0.007 56.082 56.048 0.068 0.000 1.146 384 H CB 0.370 30.216 29.762 0.139 0.000 1.382 384 H HN -0.014 nan 8.280 nan 0.000 0.577 385 I N 1.289 121.924 120.570 0.109 0.000 2.315 385 I HA 0.108 4.280 4.170 0.004 0.000 0.291 385 I C 0.605 176.718 176.117 -0.006 0.000 1.006 385 I CA -0.391 60.923 61.300 0.024 0.000 1.265 385 I CB 0.957 38.929 38.000 -0.048 0.000 1.387 385 I HN 0.047 nan 8.210 nan 0.000 0.475 386 S N 8.705 124.400 115.700 -0.008 0.000 2.572 386 S HA 0.096 4.568 4.470 0.004 0.000 0.267 386 S C -1.535 173.049 174.600 -0.026 0.000 1.361 386 S CA -0.493 57.697 58.200 -0.016 0.000 1.009 386 S CB -0.056 63.141 63.200 -0.004 0.000 0.888 386 S HN 0.530 nan 8.310 nan 0.000 0.553 387 P HA 0.267 nan 4.420 nan 0.000 0.252 387 P C 0.791 178.079 177.300 -0.021 0.000 1.218 387 P CA 0.317 63.404 63.100 -0.023 0.000 0.807 387 P CB 0.029 31.718 31.700 -0.017 0.000 1.072 388 A N 0.154 122.965 122.820 -0.015 0.000 1.878 388 A HA -0.053 4.269 4.320 0.004 0.000 0.213 388 A C 2.027 179.603 177.584 -0.014 0.000 1.192 388 A CA 0.962 52.994 52.037 -0.008 0.000 0.619 388 A CB -1.533 17.469 19.000 0.003 0.000 0.837 388 A HN 0.146 nan 8.150 nan 0.000 0.446 389 L N -0.874 120.336 121.223 -0.021 0.000 2.042 389 L HA -0.165 4.177 4.340 0.004 0.000 0.210 389 L C 2.452 179.278 176.870 -0.075 0.000 1.076 389 L CA 2.644 57.459 54.840 -0.042 0.000 0.749 389 L CB -0.486 41.535 42.059 -0.063 0.000 0.893 389 L HN 0.449 nan 8.230 nan 0.000 0.432 390 M N -0.396 119.156 119.600 -0.080 0.000 2.082 390 M HA -0.250 4.232 4.480 0.004 0.000 0.258 390 M C 2.150 178.414 176.300 -0.060 0.000 1.069 390 M CA 2.132 57.381 55.300 -0.084 0.000 1.102 390 M CB -0.371 32.189 32.600 -0.067 0.000 1.336 390 M HN 0.403 nan 8.290 nan 0.000 0.404 391 E N 0.070 120.245 120.200 -0.040 0.000 2.051 391 E HA -0.197 4.156 4.350 0.004 0.000 0.192 391 E C 1.902 178.485 176.600 -0.028 0.000 0.991 391 E CA 2.067 58.449 56.400 -0.030 0.000 0.799 391 E CB -0.705 28.984 29.700 -0.018 0.000 0.748 391 E HN 0.700 nan 8.360 nan 0.000 0.449 392 L N -1.154 120.056 121.223 -0.022 0.000 2.072 392 L HA 0.035 4.377 4.340 0.004 0.000 0.205 392 L C 2.369 179.222 176.870 -0.028 0.000 1.079 392 L CA 1.160 55.991 54.840 -0.016 0.000 0.752 392 L CB -0.651 41.410 42.059 0.002 0.000 0.906 392 L HN 0.164 nan 8.230 nan 0.000 0.436 393 L N 0.171 121.367 121.223 -0.044 0.000 2.012 393 L HA -0.190 4.152 4.340 0.004 0.000 0.210 393 L C 2.457 179.289 176.870 -0.062 0.000 1.073 393 L CA 1.830 56.632 54.840 -0.064 0.000 0.748 393 L CB -0.525 41.457 42.059 -0.128 0.000 0.891 393 L HN 0.299 nan 8.230 nan 0.000 0.431 394 L N -1.285 119.901 121.223 -0.062 0.000 2.046 394 L HA -0.215 4.127 4.340 0.004 0.000 0.208 394 L C 1.942 178.778 176.870 -0.057 0.000 1.077 394 L CA 1.438 56.244 54.840 -0.056 0.000 0.747 394 L CB -0.237 41.792 42.059 -0.051 0.000 0.896 394 L HN 0.455 nan 8.230 nan 0.000 0.432 395 Q N -1.639 118.127 119.800 -0.057 0.000 2.164 395 Q HA 0.073 4.415 4.340 0.004 0.000 0.226 395 Q C 0.972 176.927 176.000 -0.075 0.000 0.813 395 Q CA 0.001 55.759 55.803 -0.075 0.000 0.978 395 Q CB 1.103 29.796 28.738 -0.076 0.000 1.149 395 Q HN 0.513 nan 8.270 nan 0.000 0.489 396 E N 0.698 120.871 120.200 -0.046 0.000 2.415 396 E HA 0.162 4.514 4.350 0.004 0.000 0.197 396 E C 0.208 176.792 176.600 -0.026 0.000 1.007 396 E CA 0.108 56.490 56.400 -0.028 0.000 0.890 396 E CB 0.864 30.562 29.700 -0.004 0.000 0.891 396 E HN 0.101 nan 8.360 nan 0.000 0.496 397 A N 0.580 123.380 122.820 -0.034 0.000 3.317 397 A HA 0.589 4.911 4.320 0.004 0.000 0.307 397 A C 0.592 178.153 177.584 -0.038 0.000 1.003 397 A CA -0.067 51.953 52.037 -0.029 0.000 0.882 397 A CB 0.347 19.334 19.000 -0.022 0.000 1.136 397 A HN 0.151 nan 8.150 nan 0.000 0.488 398 A N 0.421 123.210 122.820 -0.052 0.000 1.861 398 A HA 0.043 4.365 4.320 0.004 0.000 0.212 398 A C 1.681 179.242 177.584 -0.037 0.000 1.199 398 A CA 1.196 53.201 52.037 -0.054 0.000 0.613 398 A CB -0.304 18.648 19.000 -0.079 0.000 0.846 398 A HN 0.522 nan 8.150 nan 0.000 0.446 399 E N 0.662 120.841 120.200 -0.035 0.000 2.204 399 E HA -0.162 4.190 4.350 0.004 0.000 0.195 399 E C 1.435 178.033 176.600 -0.003 0.000 0.990 399 E CA 0.983 57.372 56.400 -0.018 0.000 0.821 399 E CB -0.242 29.451 29.700 -0.012 0.000 0.750 399 E HN 0.588 nan 8.360 nan 0.000 0.477 400 K N 0.524 120.925 120.400 0.001 0.000 2.418 400 K HA 0.113 4.435 4.320 0.004 0.000 0.195 400 K C 1.407 178.018 176.600 0.017 0.000 1.035 400 K CA 0.195 56.494 56.287 0.020 0.000 1.003 400 K CB 0.264 32.775 32.500 0.020 0.000 0.793 400 K HN 0.212 nan 8.250 nan 0.000 0.494 401 I N -3.853 116.718 120.570 0.002 0.000 3.239 401 I HA 0.470 4.642 4.170 0.004 0.000 0.314 401 I C -0.866 175.252 176.117 0.001 0.000 1.126 401 I CA -0.752 60.549 61.300 0.001 0.000 0.973 401 I CB 2.690 40.679 38.000 -0.019 0.000 1.252 401 I HN -0.358 nan 8.210 nan 0.000 0.463 402 T N 1.173 115.730 114.554 0.006 0.000 2.993 402 T HA 0.254 4.606 4.350 0.004 0.000 0.312 402 T C -1.574 173.130 174.700 0.006 0.000 1.115 402 T CA -0.372 61.731 62.100 0.005 0.000 1.027 402 T CB 1.232 70.107 68.868 0.012 0.000 1.116 402 T HN 0.832 nan 8.240 nan 0.000 0.464 403 D N 2.661 123.061 120.400 0.000 0.000 2.417 403 D HA 0.230 4.872 4.640 0.004 0.000 0.250 403 D C -0.316 175.991 176.300 0.011 0.000 1.166 403 D CA -0.001 54.000 54.000 0.002 0.000 0.881 403 D CB 0.691 41.489 40.800 -0.003 0.000 1.164 403 D HN 0.305 nan 8.370 nan 0.000 0.467 404 L N 4.895 126.129 121.223 0.018 0.000 2.784 404 L HA 0.440 4.782 4.340 0.004 0.000 0.241 404 L C 0.984 177.869 176.870 0.024 0.000 1.352 404 L CA 0.479 55.334 54.840 0.025 0.000 0.911 404 L CB 0.202 42.282 42.059 0.035 0.000 1.227 404 L HN 0.700 nan 8.230 nan 0.000 0.501 405 G N 1.257 110.068 108.800 0.018 0.000 2.634 405 G HA2 -0.395 3.567 3.960 0.004 0.000 0.318 405 G HA3 -0.395 3.567 3.960 0.004 0.000 0.318 405 G C 0.783 175.695 174.900 0.019 0.000 1.207 405 G CA 0.634 45.745 45.100 0.018 0.000 0.987 405 G HN 0.527 nan 8.290 nan 0.000 0.547 406 E N 1.591 121.806 120.200 0.024 0.000 2.511 406 E HA 0.176 4.528 4.350 0.004 0.000 0.196 406 E C 0.975 177.597 176.600 0.036 0.000 1.066 406 E CA 0.680 57.097 56.400 0.028 0.000 0.871 406 E CB 0.108 29.827 29.700 0.031 0.000 0.863 406 E HN 0.571 nan 8.360 nan 0.000 0.520 407 Q N 0.521 120.342 119.800 0.035 0.000 2.456 407 Q HA 0.519 4.861 4.340 0.004 0.000 0.284 407 Q C -0.885 175.133 176.000 0.031 0.000 1.061 407 Q CA -0.667 55.162 55.803 0.043 0.000 0.799 407 Q CB 2.860 31.634 28.738 0.060 0.000 1.445 407 Q HN 0.140 nan 8.270 nan 0.000 0.411 408 I N -1.336 119.249 120.570 0.024 0.000 2.465 408 I HA 0.685 4.857 4.170 0.004 0.000 0.291 408 I C -1.310 174.822 176.117 0.026 0.000 1.014 408 I CA -1.034 60.270 61.300 0.008 0.000 1.093 408 I CB 1.469 39.452 38.000 -0.028 0.000 1.267 408 I HN 0.330 nan 8.210 nan 0.000 0.431 409 V N 7.911 127.847 119.914 0.036 0.000 2.398 409 V HA 0.464 4.586 4.120 0.004 0.000 0.286 409 V C 0.013 176.142 176.094 0.058 0.000 1.026 409 V CA -0.558 61.783 62.300 0.068 0.000 0.868 409 V CB 1.698 33.568 31.823 0.078 0.000 0.982 409 V HN 0.701 nan 8.190 nan 0.000 0.443 410 I N 5.533 126.154 120.570 0.085 0.000 2.530 410 I HA 0.654 4.826 4.170 0.004 0.000 0.297 410 I C -0.477 175.705 176.117 0.108 0.000 1.011 410 I CA -0.781 60.557 61.300 0.063 0.000 1.107 410 I CB 1.556 39.564 38.000 0.014 0.000 1.285 410 I HN 0.529 nan 8.210 nan 0.000 0.436 411 R N 4.902 125.451 120.500 0.081 0.000 2.387 411 R HA 0.311 4.653 4.340 0.004 0.000 0.314 411 R C -0.677 175.702 176.300 0.132 0.000 0.958 411 R CA -0.587 55.588 56.100 0.124 0.000 0.846 411 R CB 0.789 31.167 30.300 0.129 0.000 1.147 411 R HN 1.010 nan 8.270 nan 0.000 0.447 412 H N 0.280 119.307 119.070 -0.073 0.000 2.750 412 H HA -0.178 4.380 4.556 0.003 0.000 0.327 412 H C -1.464 173.641 175.328 -0.371 0.000 1.199 412 H CA -0.023 55.900 56.048 -0.208 0.000 1.149 412 H CB -1.431 28.184 29.762 -0.245 0.000 1.543 412 H HN 0.409 nan 8.280 nan 0.000 0.427 413 L N 1.630 122.662 121.223 -0.318 0.000 2.375 413 L HA 0.575 4.918 4.340 0.004 0.000 0.271 413 L C -0.775 175.880 176.870 -0.358 0.000 1.107 413 L CA -0.666 53.961 54.840 -0.354 0.000 0.806 413 L CB 0.515 42.552 42.059 -0.037 0.000 1.146 413 L HN 0.349 nan 8.230 nan 0.000 0.447 414 Y N 4.769 124.883 120.300 -0.311 0.000 2.377 414 Y HA 0.627 5.179 4.550 0.003 0.000 0.339 414 Y C -0.450 175.244 175.900 -0.344 0.000 1.011 414 Y CA -1.021 56.862 58.100 -0.361 0.000 1.093 414 Y CB 1.556 39.707 38.460 -0.515 0.000 1.201 414 Y HN 0.404 nan 8.280 nan 0.000 0.455 415 I N 3.619 124.090 120.570 -0.164 0.000 2.436 415 I HA 0.357 4.529 4.170 0.004 0.000 0.289 415 I C -0.376 175.579 176.117 -0.270 0.000 1.010 415 I CA -1.017 60.075 61.300 -0.347 0.000 1.098 415 I CB 1.661 39.427 38.000 -0.391 0.000 1.266 415 I HN 0.625 nan 8.210 nan 0.000 0.434 416 E N 6.183 126.197 120.200 -0.310 0.000 2.429 416 E HA 0.426 4.778 4.350 0.004 0.000 0.276 416 E C -0.769 175.635 176.600 -0.326 0.000 0.953 416 E CA -1.103 55.164 56.400 -0.222 0.000 0.787 416 E CB 1.636 31.288 29.700 -0.079 0.000 1.307 416 E HN 0.454 nan 8.360 nan 0.000 0.458 417 R N 2.142 122.412 120.500 -0.383 0.000 2.486 417 R HA -0.023 4.319 4.340 0.004 0.000 0.303 417 R C 0.595 176.670 176.300 -0.374 0.000 0.958 417 R CA 0.141 55.910 56.100 -0.552 0.000 1.077 417 R CB 0.282 29.829 30.300 -1.254 0.000 0.921 417 R HN 0.552 nan 8.270 nan 0.000 0.406 418 R N 4.088 124.405 120.500 -0.306 0.000 2.758 418 R HA -0.030 4.312 4.340 0.004 0.000 0.263 418 R C -0.219 176.007 176.300 -0.123 0.000 1.010 418 R CA 0.977 56.964 56.100 -0.189 0.000 1.114 418 R CB 0.504 30.735 30.300 -0.116 0.000 0.985 418 R HN 0.647 nan 8.270 nan 0.000 0.439 419 M N 1.945 121.515 119.600 -0.050 0.000 3.262 419 M HA 0.331 4.813 4.480 0.004 0.000 0.297 419 M C -1.123 175.203 176.300 0.044 0.000 1.356 419 M CA -1.206 54.114 55.300 0.034 0.000 0.757 419 M CB 1.649 34.327 32.600 0.129 0.000 1.851 419 M HN 0.417 nan 8.290 nan 0.000 0.428 420 V N -0.619 119.329 119.914 0.057 0.000 2.376 420 V HA 0.545 4.667 4.120 0.004 0.000 0.287 420 V C -2.929 173.237 176.094 0.121 0.000 1.015 420 V CA -2.085 60.257 62.300 0.071 0.000 0.834 420 V CB 0.634 32.466 31.823 0.014 0.000 1.001 420 V HN 0.448 nan 8.190 nan 0.000 0.428 421 P HA 0.077 nan 4.420 nan 0.000 0.262 421 P C 0.828 178.252 177.300 0.207 0.000 1.182 421 P CA 0.103 63.344 63.100 0.234 0.000 0.761 421 P CB 1.005 32.838 31.700 0.221 0.000 0.795 422 L N 4.796 126.133 121.223 0.191 0.000 2.012 422 L HA -0.234 4.108 4.340 0.004 0.000 0.210 422 L C 2.044 179.015 176.870 0.169 0.000 1.073 422 L CA 1.946 56.876 54.840 0.150 0.000 0.748 422 L CB -0.811 41.300 42.059 0.088 0.000 0.891 422 L HN 0.438 nan 8.230 nan 0.000 0.431 423 N N -0.170 118.633 118.700 0.173 0.000 2.289 423 N HA -0.220 4.522 4.740 0.004 0.000 0.184 423 N C 1.784 177.388 175.510 0.157 0.000 1.016 423 N CA 1.713 54.866 53.050 0.170 0.000 0.872 423 N CB -0.441 38.176 38.487 0.217 0.000 0.973 423 N HN 0.399 nan 8.380 nan 0.000 0.433 424 I N 0.243 120.921 120.570 0.180 0.000 2.113 424 I HA -0.205 3.968 4.170 0.004 0.000 0.238 424 I C 2.286 178.511 176.117 0.179 0.000 1.070 424 I CA 1.206 62.607 61.300 0.168 0.000 1.332 424 I CB -1.139 36.973 38.000 0.186 0.000 1.044 424 I HN 0.196 nan 8.210 nan 0.000 0.402 425 W N 1.358 122.675 121.300 0.028 0.000 2.374 425 W HA -0.193 4.470 4.660 0.004 0.000 0.288 425 W C 2.380 178.887 176.519 -0.020 0.000 1.218 425 W CA 0.881 58.232 57.345 0.010 0.000 1.245 425 W CB -0.255 29.213 29.460 0.013 0.000 1.126 425 W HN 0.010 nan 8.180 nan 0.000 0.545 426 L N 1.059 122.388 121.223 0.177 0.000 2.127 426 L HA -0.221 4.121 4.340 0.004 0.000 0.211 426 L C 2.218 179.030 176.870 -0.095 0.000 1.089 426 L CA 1.993 56.833 54.840 0.000 0.000 0.757 426 L CB -0.899 41.122 42.059 -0.064 0.000 0.899 426 L HN -0.039 nan 8.230 nan 0.000 0.434 427 E N -1.018 119.151 120.200 -0.052 0.000 2.112 427 E HA -0.172 4.180 4.350 0.004 0.000 0.190 427 E C 2.137 178.654 176.600 -0.139 0.000 0.979 427 E CA 0.728 57.090 56.400 -0.063 0.000 0.814 427 E CB -0.175 29.523 29.700 -0.005 0.000 0.762 427 E HN 0.619 nan 8.360 nan 0.000 0.460 428 Q N 0.601 120.277 119.800 -0.207 0.000 2.224 428 Q HA -0.052 4.290 4.340 0.004 0.000 0.203 428 Q C 0.934 176.694 176.000 -0.400 0.000 0.970 428 Q CA 0.693 56.327 55.803 -0.283 0.000 0.865 428 Q CB 0.216 28.775 28.738 -0.298 0.000 0.922 428 Q HN 0.134 nan 8.270 nan 0.000 0.445 429 V N -1.971 117.618 119.914 -0.540 0.000 2.850 429 V HA 0.660 4.782 4.120 0.004 0.000 0.315 429 V C -0.559 175.366 176.094 -0.283 0.000 1.064 429 V CA -0.937 61.059 62.300 -0.507 0.000 0.979 429 V CB 1.878 33.202 31.823 -0.831 0.000 1.039 429 V HN 0.132 nan 8.190 nan 0.000 0.452 430 E N 0.764 120.841 120.200 -0.203 0.000 2.416 430 E HA 0.609 4.961 4.350 0.004 0.000 0.280 430 E C -0.116 176.427 176.600 -0.095 0.000 1.055 430 E CA 0.191 56.516 56.400 -0.126 0.000 0.825 430 E CB 1.701 31.346 29.700 -0.092 0.000 1.312 430 E HN 1.942 nan 8.360 nan 0.000 0.452 431 G N 1.724 110.486 108.800 -0.064 0.000 2.513 431 G HA2 -0.328 3.634 3.960 0.004 0.000 0.227 431 G HA3 -0.328 3.634 3.960 0.004 0.000 0.227 431 G C 0.587 175.467 174.900 -0.033 0.000 1.176 431 G CA 0.395 45.469 45.100 -0.043 0.000 0.967 431 G HN 0.587 nan 8.290 nan 0.000 0.587 432 Q N -0.100 119.687 119.800 -0.022 0.000 2.135 432 Q HA -0.021 4.321 4.340 0.004 0.000 0.204 432 Q C 2.789 178.789 176.000 -0.001 0.000 0.981 432 Q CA 2.878 58.676 55.803 -0.008 0.000 0.856 432 Q CB -0.308 28.431 28.738 0.001 0.000 0.902 432 Q HN 0.683 nan 8.270 nan 0.000 0.425 433 Q N -0.624 119.167 119.800 -0.015 0.000 2.002 433 Q HA -0.189 4.153 4.340 0.004 0.000 0.204 433 Q C 1.984 177.977 176.000 -0.010 0.000 0.988 433 Q CA 1.490 57.289 55.803 -0.007 0.000 0.843 433 Q CB -0.394 28.287 28.738 -0.095 0.000 0.908 433 Q HN 0.368 nan 8.270 nan 0.000 0.420 434 L N 1.437 122.620 121.223 -0.066 0.000 2.263 434 L HA -0.216 4.126 4.340 0.004 0.000 0.216 434 L C 2.096 178.951 176.870 -0.024 0.000 1.111 434 L CA 1.585 56.389 54.840 -0.060 0.000 0.773 434 L CB -0.309 41.706 42.059 -0.075 0.000 0.906 434 L HN 0.110 nan 8.230 nan 0.000 0.439 435 R N -0.333 120.157 120.500 -0.016 0.000 2.080 435 R HA -0.177 4.165 4.340 0.004 0.000 0.236 435 R C 1.560 177.851 176.300 -0.014 0.000 1.137 435 R CA 1.998 58.087 56.100 -0.020 0.000 0.943 435 R CB -0.725 29.566 30.300 -0.015 0.000 0.846 435 R HN 0.413 nan 8.270 nan 0.000 0.431 436 D N -0.218 120.197 120.400 0.025 0.000 2.355 436 D HA 0.061 4.703 4.640 0.004 0.000 0.218 436 D C 1.272 177.603 176.300 0.052 0.000 1.004 436 D CA 0.489 54.509 54.000 0.033 0.000 0.880 436 D CB 0.279 41.111 40.800 0.052 0.000 0.911 436 D HN 0.255 nan 8.370 nan 0.000 0.528 437 A N 0.140 123.013 122.820 0.088 0.000 2.067 437 A HA 0.007 4.329 4.320 0.004 0.000 0.217 437 A C 1.903 179.467 177.584 -0.033 0.000 1.156 437 A CA 0.519 52.615 52.037 0.098 0.000 0.683 437 A CB -0.246 18.903 19.000 0.248 0.000 0.808 437 A HN 0.198 nan 8.150 nan 0.000 0.455 438 I N -1.411 119.123 120.570 -0.060 0.000 2.628 438 I HA -0.058 4.114 4.170 0.004 0.000 0.255 438 I C 2.328 178.486 176.117 0.068 0.000 1.119 438 I CA 0.888 62.129 61.300 -0.098 0.000 1.448 438 I CB -0.848 37.034 38.000 -0.197 0.000 1.133 438 I HN 0.408 nan 8.210 nan 0.000 0.438 439 E N 1.798 122.001 120.200 0.006 0.000 2.038 439 E HA -0.295 4.057 4.350 0.004 0.000 0.195 439 E C 1.983 178.638 176.600 0.091 0.000 1.000 439 E CA 1.806 58.219 56.400 0.022 0.000 0.803 439 E CB 0.117 29.783 29.700 -0.057 0.000 0.750 439 E HN 0.347 nan 8.360 nan 0.000 0.448 440 E N -0.593 119.626 120.200 0.031 0.000 2.204 440 E HA -0.183 4.169 4.350 0.004 0.000 0.194 440 E C 1.705 178.285 176.600 -0.032 0.000 0.989 440 E CA 0.820 57.219 56.400 -0.002 0.000 0.824 440 E CB -0.293 29.393 29.700 -0.022 0.000 0.756 440 E HN 0.334 nan 8.360 nan 0.000 0.477 441 Y N -0.058 120.121 120.300 -0.201 0.000 2.070 441 Y HA -0.121 4.431 4.550 0.004 0.000 0.279 441 Y C 2.203 177.864 175.900 -0.398 0.000 1.134 441 Y CA 2.236 60.112 58.100 -0.374 0.000 1.113 441 Y CB -0.959 37.265 38.460 -0.394 0.000 0.981 441 Y HN 0.059 nan 8.280 nan 0.000 0.487 442 G N -0.070 108.339 108.800 -0.653 0.000 2.440 442 G HA2 -0.329 3.633 3.960 0.004 0.000 0.218 442 G HA3 -0.329 3.633 3.960 0.004 0.000 0.218 442 G C 1.501 176.097 174.900 -0.506 0.000 1.154 442 G CA 1.119 45.526 45.100 -1.156 0.000 0.767 442 G HN 0.421 nan 8.290 nan 0.000 0.552 443 N N 1.237 119.844 118.700 -0.155 0.000 2.149 443 N HA -0.078 4.664 4.740 0.004 0.000 0.188 443 N C 2.373 177.799 175.510 -0.139 0.000 1.019 443 N CA 1.344 54.343 53.050 -0.086 0.000 0.857 443 N CB -0.485 37.992 38.487 -0.016 0.000 0.997 443 N HN 0.331 nan 8.380 nan 0.000 0.426 444 A N 0.189 122.906 122.820 -0.172 0.000 1.972 444 A HA -0.017 4.305 4.320 0.004 0.000 0.219 444 A C 2.006 179.501 177.584 -0.148 0.000 1.169 444 A CA 0.934 52.907 52.037 -0.107 0.000 0.635 444 A CB -0.455 18.522 19.000 -0.038 0.000 0.810 444 A HN 0.272 nan 8.150 nan 0.000 0.446 445 I N -1.429 118.958 120.570 -0.304 0.000 3.728 445 I HA -0.015 4.158 4.170 0.004 0.000 0.307 445 I C 2.410 178.384 176.117 -0.237 0.000 1.276 445 I CA 0.181 61.312 61.300 -0.282 0.000 1.285 445 I CB -0.041 37.721 38.000 -0.395 0.000 1.038 445 I HN 0.198 nan 8.210 nan 0.000 0.445 446 R N 0.583 120.954 120.500 -0.215 0.000 2.066 446 R HA -0.005 4.337 4.340 0.004 0.000 0.224 446 R C 1.982 178.200 176.300 -0.136 0.000 1.122 446 R CA 0.956 56.963 56.100 -0.156 0.000 0.974 446 R CB -0.210 30.034 30.300 -0.094 0.000 0.871 446 R HN 0.443 nan 8.270 nan 0.000 0.435 447 Q N 0.343 120.072 119.800 -0.118 0.000 2.187 447 Q HA -0.044 4.298 4.340 0.004 0.000 0.199 447 Q C 1.936 177.888 176.000 -0.080 0.000 0.957 447 Q CA 0.624 56.367 55.803 -0.101 0.000 0.857 447 Q CB 0.052 28.733 28.738 -0.094 0.000 0.929 447 Q HN 0.104 nan 8.270 nan 0.000 0.453 448 L N 1.037 122.209 121.223 -0.085 0.000 2.017 448 L HA -0.150 4.192 4.340 0.004 0.000 0.208 448 L C 2.378 179.234 176.870 -0.024 0.000 1.073 448 L CA 2.002 56.798 54.840 -0.073 0.000 0.745 448 L CB -1.422 40.556 42.059 -0.136 0.000 0.894 448 L HN 0.167 nan 8.230 nan 0.000 0.432 449 A N -0.731 122.074 122.820 -0.026 0.000 1.865 449 A HA -0.201 4.122 4.320 0.004 0.000 0.217 449 A C 2.489 180.073 177.584 0.000 0.000 1.191 449 A CA 2.245 54.298 52.037 0.026 0.000 0.623 449 A CB -1.036 17.906 19.000 -0.096 0.000 0.826 449 A HN 0.426 nan 8.150 nan 0.000 0.444 450 A N 0.107 122.891 122.820 -0.061 0.000 1.851 450 A HA 0.305 4.627 4.320 0.004 0.000 0.216 450 A C 1.756 179.332 177.584 -0.013 0.000 1.195 450 A CA 1.404 53.406 52.037 -0.057 0.000 0.622 450 A CB -1.417 17.529 19.000 -0.090 0.000 0.831 450 A HN 1.442 nan 8.150 nan 0.000 0.444 451 A N -0.252 122.568 122.820 0.001 0.000 2.555 451 A HA 0.219 4.541 4.320 0.004 0.000 0.233 451 A C 0.213 177.882 177.584 0.141 0.000 1.060 451 A CA 0.106 52.196 52.037 0.089 0.000 0.759 451 A CB -0.348 18.716 19.000 0.106 0.000 0.995 451 A HN 0.456 nan 8.150 nan 0.000 0.506 452 N N 0.802 119.651 118.700 0.248 0.000 3.103 452 N HA 0.234 4.976 4.740 0.004 0.000 0.305 452 N C -1.004 174.631 175.510 0.209 0.000 1.232 452 N CA 0.350 53.529 53.050 0.214 0.000 1.190 452 N CB -0.279 38.331 38.487 0.205 0.000 1.461 452 N HN 0.408 nan 8.380 nan 0.000 0.538 453 I N 1.963 122.607 120.570 0.123 0.000 2.448 453 I HA 0.200 4.372 4.170 0.004 0.000 0.281 453 I C -0.742 175.462 176.117 0.145 0.000 1.027 453 I CA -0.963 60.373 61.300 0.061 0.000 1.111 453 I CB 0.315 38.248 38.000 -0.110 0.000 1.236 453 I HN 0.092 nan 8.210 nan 0.000 0.452 454 F N 9.229 129.223 119.950 0.074 0.000 2.385 454 F HA 0.546 5.075 4.527 0.003 0.000 0.360 454 F C -1.624 174.192 175.800 0.027 0.000 1.122 454 F CA -2.203 55.879 58.000 0.135 0.000 1.090 454 F CB 1.503 40.655 39.000 0.254 0.000 1.150 454 F HN 0.250 nan 8.300 nan 0.000 0.472 455 P HA 0.003 nan 4.420 nan 0.000 0.221 455 P C 1.137 178.220 177.300 -0.361 0.000 1.145 455 P CA 2.054 64.782 63.100 -0.620 0.000 0.795 455 P CB 0.004 31.218 31.700 -0.811 0.000 0.775 456 G N -0.050 108.379 108.800 -0.618 0.000 2.889 456 G HA2 -0.313 3.649 3.960 0.004 0.000 0.308 456 G HA3 -0.313 3.649 3.960 0.004 0.000 0.308 456 G C 0.011 174.799 174.900 -0.186 0.000 1.248 456 G CA 0.371 45.329 45.100 -0.236 0.000 0.982 456 G HN 0.468 nan 8.290 nan 0.000 0.571 457 D N 2.658 123.014 120.400 -0.073 0.000 2.352 457 D HA 0.435 5.077 4.640 0.004 0.000 0.245 457 D C 1.550 177.842 176.300 -0.013 0.000 1.224 457 D CA -0.180 53.775 54.000 -0.074 0.000 0.879 457 D CB -0.128 40.632 40.800 -0.066 0.000 1.057 457 D HN 0.471 nan 8.370 nan 0.000 0.491 458 M N 3.424 122.969 119.600 -0.092 0.000 2.637 458 M HA 0.169 4.651 4.480 0.004 0.000 0.286 458 M C 0.104 176.564 176.300 0.266 0.000 1.246 458 M CA -0.668 54.663 55.300 0.050 0.000 0.978 458 M CB 0.106 32.563 32.600 -0.239 0.000 1.417 458 M HN 0.104 nan 8.290 nan 0.000 0.487 459 L N 0.147 121.454 121.223 0.140 0.000 2.468 459 L HA 0.100 4.442 4.340 0.004 0.000 0.253 459 L C 1.309 178.365 176.870 0.310 0.000 1.237 459 L CA 0.611 55.475 54.840 0.040 0.000 0.823 459 L CB 0.101 42.100 42.059 -0.100 0.000 1.124 459 L HN 0.114 nan 8.230 nan 0.000 0.504 460 F N 0.036 120.044 119.950 0.097 0.000 2.234 460 F HA -0.087 4.442 4.527 0.003 0.000 0.299 460 F C 2.051 177.910 175.800 0.098 0.000 1.087 460 F CA 0.996 58.983 58.000 -0.021 0.000 1.340 460 F CB -0.711 38.242 39.000 -0.078 0.000 1.031 460 F HN 0.509 nan 8.300 nan 0.000 0.500 461 K N -0.173 120.407 120.400 0.300 0.000 2.444 461 K HA 0.019 4.342 4.320 0.004 0.000 0.193 461 K C 0.491 177.147 176.600 0.093 0.000 1.024 461 K CA 0.497 56.911 56.287 0.212 0.000 1.077 461 K CB -0.594 32.015 32.500 0.182 0.000 0.833 461 K HN 0.139 nan 8.250 nan 0.000 0.517 462 N N 0.369 119.084 118.700 0.026 0.000 2.353 462 N HA 0.135 4.877 4.740 0.004 0.000 0.185 462 N C -0.425 174.380 175.510 -1.176 0.000 1.098 462 N CA 0.154 52.879 53.050 -0.542 0.000 0.872 462 N CB 0.055 38.336 38.487 -0.343 0.000 0.970 462 N HN 0.137 nan 8.380 nan 0.000 0.467 463 F N -0.391 119.276 119.950 -0.472 0.000 2.497 463 F HA 0.640 5.169 4.527 0.004 0.000 0.331 463 F C 1.380 177.079 175.800 -0.169 0.000 1.060 463 F CA -0.999 56.830 58.000 -0.284 0.000 0.989 463 F CB 1.307 40.356 39.000 0.081 0.000 1.245 463 F HN -0.200 nan 8.300 nan 0.000 0.486 464 G N -0.189 108.743 108.800 0.221 0.000 3.175 464 G HA2 0.735 4.697 3.960 0.004 0.000 0.255 464 G HA3 0.735 4.697 3.960 0.004 0.000 0.255 464 G C -1.604 173.340 174.900 0.073 0.000 1.352 464 G CA -0.787 44.453 45.100 0.233 0.000 1.037 464 G HN 0.502 nan 8.290 nan 0.000 0.556 465 V N -1.037 118.857 119.914 -0.034 0.000 3.206 465 V HA 0.756 4.878 4.120 0.004 0.000 0.305 465 V C 0.069 176.059 176.094 -0.173 0.000 1.257 465 V CA -0.469 61.686 62.300 -0.241 0.000 1.057 465 V CB 1.852 33.291 31.823 -0.639 0.000 1.075 465 V HN 1.223 nan 8.190 nan 0.000 0.443 466 T N -1.694 112.701 114.554 -0.266 0.000 2.940 466 T HA 0.513 4.865 4.350 0.004 0.000 0.288 466 T C 0.776 175.384 174.700 -0.153 0.000 1.045 466 T CA -0.684 61.333 62.100 -0.138 0.000 1.018 466 T CB 2.118 70.838 68.868 -0.247 0.000 1.151 466 T HN 0.504 nan 8.240 nan 0.000 0.529 467 R N 0.078 120.602 120.500 0.040 0.000 2.083 467 R HA -0.144 4.198 4.340 0.004 0.000 0.237 467 R C 2.426 178.789 176.300 0.106 0.000 1.137 467 R CA 2.095 58.248 56.100 0.089 0.000 0.951 467 R CB -0.640 29.747 30.300 0.145 0.000 0.851 467 R HN 0.842 nan 8.270 nan 0.000 0.434 468 H N -0.810 118.276 119.070 0.027 0.000 2.491 468 H HA 0.053 4.612 4.556 0.004 0.000 0.290 468 H C 0.568 175.902 175.328 0.010 0.000 1.050 468 H CA 1.132 57.199 56.048 0.031 0.000 1.309 468 H CB -0.236 29.547 29.762 0.035 0.000 1.392 468 H HN 0.301 nan 8.280 nan 0.000 0.554 469 G N 0.811 109.374 108.800 -0.394 0.000 3.251 469 G HA2 -0.071 3.891 3.960 0.004 0.000 0.680 469 G HA3 -0.071 3.891 3.960 0.004 0.000 0.680 469 G C -0.803 173.857 174.900 -0.401 0.000 1.129 469 G CA -0.233 44.641 45.100 -0.377 0.000 0.994 469 G HN 0.573 nan 8.290 nan 0.000 0.450 470 R N -0.012 120.235 120.500 -0.422 0.000 2.664 470 R HA 0.562 4.904 4.340 0.004 0.000 0.266 470 R C -0.628 175.564 176.300 -0.180 0.000 1.046 470 R CA -1.019 54.918 56.100 -0.272 0.000 0.885 470 R CB 2.078 32.194 30.300 -0.307 0.000 1.254 470 R HN 0.455 nan 8.270 nan 0.000 0.465 471 V N 1.869 121.742 119.914 -0.068 0.000 2.427 471 V HA 0.504 4.626 4.120 0.004 0.000 0.286 471 V C -0.314 175.873 176.094 0.155 0.000 1.034 471 V CA -0.699 61.633 62.300 0.053 0.000 0.893 471 V CB 1.684 33.543 31.823 0.060 0.000 0.982 471 V HN 0.430 nan 8.190 nan 0.000 0.452 472 V N 5.168 125.222 119.914 0.234 0.000 2.462 472 V HA 0.345 4.467 4.120 0.004 0.000 0.288 472 V C -0.304 175.919 176.094 0.215 0.000 1.020 472 V CA -0.534 61.898 62.300 0.219 0.000 0.857 472 V CB 1.377 33.285 31.823 0.142 0.000 1.013 472 V HN 0.699 nan 8.190 nan 0.000 0.431 473 F N 5.804 125.666 119.950 -0.146 0.000 2.626 473 F HA 0.217 4.746 4.527 0.003 0.000 0.354 473 F C 0.687 176.285 175.800 -0.337 0.000 1.168 473 F CA 0.285 57.865 58.000 -0.699 0.000 1.368 473 F CB 0.581 39.155 39.000 -0.710 0.000 1.092 473 F HN 0.698 nan 8.300 nan 0.000 0.612 474 Y N 0.003 119.708 120.300 -0.991 0.000 2.954 474 Y HA 0.332 4.885 4.550 0.003 0.000 0.267 474 Y C -0.957 173.943 175.900 -1.666 0.000 1.093 474 Y CA -1.354 56.096 58.100 -1.083 0.000 1.257 474 Y CB -1.169 37.000 38.460 -0.485 0.000 1.317 474 Y HN 0.361 nan 8.280 nan 0.000 0.587 475 D N 1.372 120.753 120.400 -1.698 0.000 2.472 475 D HA 0.238 4.880 4.640 0.004 0.000 0.234 475 D C -0.946 174.848 176.300 -0.843 0.000 1.088 475 D CA -0.378 52.978 54.000 -1.072 0.000 0.882 475 D CB 0.408 40.632 40.800 -0.961 0.000 1.037 475 D HN 0.298 nan 8.370 nan 0.000 0.520 476 Y N 1.421 121.435 120.300 -0.476 0.000 2.708 476 Y HA 0.191 4.743 4.550 0.004 0.000 0.287 476 Y C 1.326 177.090 175.900 -0.226 0.000 1.145 476 Y CA -0.713 57.102 58.100 -0.476 0.000 1.249 476 Y CB 0.317 38.208 38.460 -0.948 0.000 1.152 476 Y HN 0.263 nan 8.280 nan 0.000 0.532 477 D N 0.291 120.690 120.400 -0.001 0.000 2.369 477 D HA -0.048 4.594 4.640 0.004 0.000 0.231 477 D C 0.982 177.284 176.300 0.003 0.000 0.967 477 D CA 0.822 54.843 54.000 0.036 0.000 0.905 477 D CB 0.369 41.170 40.800 0.002 0.000 1.044 477 D HN 0.133 nan 8.370 nan 0.000 0.487 478 E N 0.574 120.767 120.200 -0.011 0.000 2.528 478 E HA 0.027 4.379 4.350 0.004 0.000 0.237 478 E C -0.134 176.504 176.600 0.063 0.000 1.408 478 E CA 0.095 56.498 56.400 0.005 0.000 1.571 478 E CB 0.207 29.901 29.700 -0.010 0.000 1.395 478 E HN 0.326 nan 8.360 nan 0.000 0.438 479 I N 1.101 121.724 120.570 0.088 0.000 2.474 479 I HA 0.249 4.421 4.170 0.004 0.000 0.294 479 I C 0.348 176.502 176.117 0.061 0.000 1.005 479 I CA -0.618 60.736 61.300 0.090 0.000 1.113 479 I CB 1.584 39.637 38.000 0.088 0.000 1.289 479 I HN 0.163 nan 8.210 nan 0.000 0.436 480 C N 3.862 123.204 119.300 0.070 0.000 3.241 480 C HA 0.588 5.050 4.460 0.004 0.000 0.312 480 C C -0.552 174.483 174.990 0.076 0.000 1.350 480 C CA -1.062 57.955 59.018 -0.002 0.000 1.415 480 C CB 1.176 28.957 27.740 0.069 0.000 1.770 480 C HN 0.579 nan 8.230 nan 0.000 0.466 481 Y N 1.567 121.917 120.300 0.084 0.000 2.480 481 Y HA 0.247 4.799 4.550 0.003 0.000 0.338 481 Y C 1.875 177.832 175.900 0.094 0.000 1.220 481 Y CA -0.782 57.371 58.100 0.089 0.000 1.430 481 Y CB 0.330 38.833 38.460 0.073 0.000 1.311 481 Y HN 0.595 nan 8.280 nan 0.000 0.575 482 M N 0.985 120.760 119.600 0.292 0.000 2.267 482 M HA -0.138 4.344 4.480 0.004 0.000 0.263 482 M C 1.248 177.624 176.300 0.127 0.000 1.063 482 M CA 1.378 56.807 55.300 0.216 0.000 1.090 482 M CB -1.233 31.500 32.600 0.221 0.000 1.392 482 M HN 0.655 nan 8.290 nan 0.000 0.422 483 T N -0.728 113.903 114.554 0.128 0.000 3.219 483 T HA 0.051 4.403 4.350 0.004 0.000 0.249 483 T C 1.230 175.958 174.700 0.047 0.000 1.099 483 T CA 0.393 62.538 62.100 0.075 0.000 0.988 483 T CB -0.095 68.814 68.868 0.069 0.000 0.999 483 T HN 0.459 nan 8.240 nan 0.000 0.550 484 E N 0.812 121.034 120.200 0.037 0.000 2.498 484 E HA 0.177 4.529 4.350 0.004 0.000 0.203 484 E C 0.415 176.941 176.600 -0.124 0.000 1.013 484 E CA -0.043 56.352 56.400 -0.009 0.000 0.927 484 E CB 0.941 30.663 29.700 0.037 0.000 1.012 484 E HN 0.414 nan 8.360 nan 0.000 0.482 485 V N -1.380 118.382 119.914 -0.255 0.000 2.823 485 V HA 0.531 4.653 4.120 0.004 0.000 0.312 485 V C -0.930 174.821 176.094 -0.572 0.000 1.072 485 V CA -0.934 61.061 62.300 -0.508 0.000 0.937 485 V CB 2.195 33.474 31.823 -0.907 0.000 1.013 485 V HN -0.072 nan 8.190 nan 0.000 0.430 486 N N 3.039 121.415 118.700 -0.540 0.000 2.342 486 N HA 0.522 5.264 4.740 0.004 0.000 0.293 486 N C -1.707 173.549 175.510 -0.422 0.000 1.026 486 N CA -0.228 52.604 53.050 -0.364 0.000 0.857 486 N CB 1.870 40.241 38.487 -0.193 0.000 1.256 486 N HN 0.742 nan 8.380 nan 0.000 0.484 487 F N 2.296 122.175 119.950 -0.118 0.000 2.395 487 F HA 0.333 4.862 4.527 0.003 0.000 0.347 487 F C 0.461 176.249 175.800 -0.020 0.000 1.157 487 F CA -0.578 57.358 58.000 -0.106 0.000 1.272 487 F CB 0.227 39.197 39.000 -0.049 0.000 1.607 487 F HN 0.246 nan 8.300 nan 0.000 0.571 488 R N 1.313 121.915 120.500 0.170 0.000 2.548 488 R HA 0.304 4.646 4.340 0.004 0.000 0.280 488 R C -0.797 175.815 176.300 0.519 0.000 1.061 488 R CA -0.531 55.723 56.100 0.256 0.000 0.915 488 R CB 0.804 31.209 30.300 0.176 0.000 1.210 488 R HN 0.284 nan 8.270 nan 0.000 0.442 489 D N 4.560 125.167 120.400 0.345 0.000 2.559 489 D HA 0.022 4.664 4.640 0.004 0.000 0.234 489 D C 1.116 177.282 176.300 -0.223 0.000 1.226 489 D CA -0.321 53.645 54.000 -0.055 0.000 0.830 489 D CB -0.107 40.576 40.800 -0.196 0.000 1.028 489 D HN 0.585 nan 8.370 nan 0.000 0.492 490 I N 0.506 121.051 120.570 -0.042 0.000 2.087 490 I HA -0.137 4.035 4.170 0.004 0.000 0.240 490 I C -1.159 174.907 176.117 -0.085 0.000 1.054 490 I CA 0.625 61.903 61.300 -0.037 0.000 1.311 490 I CB -1.124 36.886 38.000 0.017 0.000 1.024 490 I HN 0.088 nan 8.210 nan 0.000 0.402 510 P HA 0.481 nan 4.420 nan 0.000 0.281 510 P C 0.365 177.611 177.300 -0.090 0.000 1.281 510 P CA -0.073 62.982 63.100 -0.075 0.000 0.811 510 P CB -0.017 31.656 31.700 -0.045 0.000 1.154 511 G N 1.435 110.183 108.800 -0.085 0.000 2.349 511 G HA2 -0.025 3.937 3.960 0.004 0.000 0.279 511 G HA3 -0.025 3.937 3.960 0.004 0.000 0.279 511 G C -0.332 174.447 174.900 -0.202 0.000 0.739 511 G CA 0.195 45.221 45.100 -0.123 0.000 1.132 511 G HN 0.459 nan 8.290 nan 0.000 0.306 512 D N 0.608 120.843 120.400 -0.275 0.000 2.527 512 D HA 0.506 5.148 4.640 0.004 0.000 0.233 512 D C -0.571 175.407 176.300 -0.538 0.000 1.063 512 D CA -0.298 53.453 54.000 -0.416 0.000 0.880 512 D CB 2.652 43.200 40.800 -0.419 0.000 1.457 512 D HN 0.137 nan 8.370 nan 0.000 0.475 513 V N 1.940 121.475 119.914 -0.631 0.000 2.540 513 V HA 0.375 4.497 4.120 0.004 0.000 0.302 513 V C -0.780 175.064 176.094 -0.416 0.000 1.035 513 V CA -0.744 61.252 62.300 -0.506 0.000 0.873 513 V CB 1.524 33.032 31.823 -0.525 0.000 0.992 513 V HN 0.356 nan 8.190 nan 0.000 0.428 514 F N 5.727 125.552 119.950 -0.208 0.000 2.293 514 F HA 0.441 4.970 4.527 0.004 0.000 0.370 514 F C -1.621 173.868 175.800 -0.518 0.000 1.090 514 F CA -2.766 55.082 58.000 -0.254 0.000 1.133 514 F CB 1.334 40.201 39.000 -0.221 0.000 1.360 514 F HN 0.352 nan 8.300 nan 0.000 0.489 515 P HA -0.207 nan 4.420 nan 0.000 0.219 515 P C 1.520 178.769 177.300 -0.086 0.000 1.146 515 P CA 1.228 64.172 63.100 -0.260 0.000 0.808 515 P CB 0.387 31.952 31.700 -0.226 0.000 0.779 516 E N -0.144 120.052 120.200 -0.006 0.000 2.250 516 E HA -0.147 4.205 4.350 0.004 0.000 0.192 516 E C 1.860 178.478 176.600 0.030 0.000 0.986 516 E CA 0.516 57.007 56.400 0.152 0.000 0.849 516 E CB -0.615 29.207 29.700 0.204 0.000 0.797 516 E HN -0.064 nan 8.360 nan 0.000 0.482 517 E N -0.209 119.902 120.200 -0.148 0.000 2.233 517 E HA -0.207 4.146 4.350 0.004 0.000 0.199 517 E C 0.949 177.589 176.600 0.067 0.000 1.004 517 E CA 1.272 57.614 56.400 -0.097 0.000 0.819 517 E CB -0.404 29.225 29.700 -0.118 0.000 0.738 517 E HN 0.384 nan 8.360 nan 0.000 0.478 518 F N 0.092 120.171 119.950 0.215 0.000 2.451 518 F HA 0.010 4.539 4.527 0.004 0.000 0.299 518 F C 2.042 177.938 175.800 0.159 0.000 1.101 518 F CA 0.582 58.710 58.000 0.213 0.000 1.436 518 F CB -0.290 38.820 39.000 0.182 0.000 1.074 518 F HN -0.002 nan 8.300 nan 0.000 0.553 519 R N -0.687 119.976 120.500 0.271 0.000 2.189 519 R HA -0.146 4.196 4.340 0.004 0.000 0.223 519 R C 1.778 178.120 176.300 0.071 0.000 1.092 519 R CA 0.901 57.070 56.100 0.116 0.000 0.989 519 R CB -0.914 29.420 30.300 0.057 0.000 0.876 519 R HN 0.348 nan 8.270 nan 0.000 0.457 520 H N -0.564 118.517 119.070 0.018 0.000 2.266 520 H HA -0.065 4.494 4.556 0.003 0.000 0.308 520 H C 1.813 177.082 175.328 -0.099 0.000 1.057 520 H CA 1.751 57.737 56.048 -0.103 0.000 1.330 520 H CB -0.133 29.493 29.762 -0.227 0.000 1.400 520 H HN 0.111 nan 8.280 nan 0.000 0.503 521 W N -0.069 121.255 121.300 0.041 0.000 2.338 521 W HA -0.165 4.497 4.660 0.004 0.000 0.304 521 W C 1.695 178.054 176.519 -0.265 0.000 1.212 521 W CA 0.805 58.090 57.345 -0.099 0.000 1.264 521 W CB -0.361 29.063 29.460 -0.061 0.000 1.142 521 W HN 0.293 nan 8.180 nan 0.000 0.512 522 L N -1.068 120.133 121.223 -0.037 0.000 2.270 522 L HA -0.036 4.306 4.340 0.004 0.000 0.210 522 L C 1.881 178.730 176.870 -0.035 0.000 1.104 522 L CA 1.093 55.797 54.840 -0.227 0.000 0.804 522 L CB -1.541 40.470 42.059 -0.081 0.000 0.937 522 L HN -0.105 nan 8.230 nan 0.000 0.450 523 C N -0.399 118.805 119.300 -0.159 0.000 2.625 523 C HA 0.337 4.799 4.460 0.004 0.000 0.285 523 C C 2.521 177.481 174.990 -0.051 0.000 1.279 523 C CA 0.057 59.001 59.018 -0.123 0.000 1.698 523 C CB -1.422 26.213 27.740 -0.176 0.000 1.821 523 C HN 0.474 nan 8.230 nan 0.000 0.600 524 A N -0.165 122.626 122.820 -0.048 0.000 1.969 524 A HA -0.095 4.227 4.320 0.004 0.000 0.218 524 A C 1.000 178.582 177.584 -0.003 0.000 1.169 524 A CA 1.219 53.205 52.037 -0.085 0.000 0.635 524 A CB -0.204 18.730 19.000 -0.110 0.000 0.810 524 A HN 0.555 nan 8.150 nan 0.000 0.445 525 D N 0.263 120.717 120.400 0.090 0.000 2.325 525 D HA 0.237 4.879 4.640 0.004 0.000 0.251 525 D C -2.258 174.080 176.300 0.064 0.000 1.196 525 D CA -1.452 52.602 54.000 0.089 0.000 0.866 525 D CB 1.110 41.996 40.800 0.144 0.000 1.101 525 D HN 0.104 nan 8.370 nan 0.000 0.476 526 P HA 0.180 nan 4.420 nan 0.000 0.249 526 P C 0.470 177.785 177.300 0.025 0.000 1.593 526 P CA 0.158 63.270 63.100 0.020 0.000 0.896 526 P CB 0.265 31.965 31.700 0.001 0.000 1.581 527 R N -0.447 120.075 120.500 0.036 0.000 2.453 527 R HA 0.307 4.649 4.340 0.004 0.000 0.233 527 R C 1.828 178.153 176.300 0.043 0.000 0.895 527 R CA 0.279 56.395 56.100 0.027 0.000 1.028 527 R CB 0.360 30.666 30.300 0.010 0.000 1.255 527 R HN 0.236 nan 8.270 nan 0.000 0.571 528 I N -4.913 115.705 120.570 0.081 0.000 4.433 528 I HA 0.386 4.558 4.170 0.004 0.000 0.322 528 I C 1.682 177.960 176.117 0.269 0.000 1.284 528 I CA 0.393 61.766 61.300 0.122 0.000 1.269 528 I CB 0.149 38.190 38.000 0.068 0.000 1.219 528 I HN -0.057 nan 8.210 nan 0.000 0.436 529 G N 2.589 111.532 108.800 0.238 0.000 2.402 529 G HA2 -0.047 3.915 3.960 0.004 0.000 0.216 529 G HA3 -0.047 3.915 3.960 0.004 0.000 0.216 529 G C -0.386 174.641 174.900 0.213 0.000 1.162 529 G CA 1.048 46.285 45.100 0.227 0.000 0.777 529 G HN 0.310 nan 8.290 nan 0.000 0.539 530 P HA -0.148 nan 4.420 nan 0.000 0.215 530 P C 1.969 179.349 177.300 0.133 0.000 1.163 530 P CA 0.714 63.874 63.100 0.100 0.000 0.894 530 P CB -0.206 31.530 31.700 0.060 0.000 0.791 531 L N -2.417 118.886 121.223 0.133 0.000 2.353 531 L HA -0.065 4.277 4.340 0.004 0.000 0.220 531 L C 2.188 179.123 176.870 0.108 0.000 1.133 531 L CA 1.233 56.126 54.840 0.087 0.000 0.798 531 L CB -1.068 41.017 42.059 0.043 0.000 0.922 531 L HN -0.208 nan 8.230 nan 0.000 0.445 532 F N 0.173 120.169 119.950 0.077 0.000 2.126 532 F HA -0.253 4.276 4.527 0.004 0.000 0.299 532 F C 2.457 178.314 175.800 0.095 0.000 1.096 532 F CA 1.858 59.945 58.000 0.146 0.000 1.255 532 F CB -0.171 38.955 39.000 0.209 0.000 0.997 532 F HN 0.184 nan 8.300 nan 0.000 0.479 533 E N -0.061 120.294 120.200 0.259 0.000 2.070 533 E HA -0.285 4.067 4.350 0.004 0.000 0.197 533 E C 2.190 178.824 176.600 0.057 0.000 1.004 533 E CA 1.396 57.889 56.400 0.154 0.000 0.805 533 E CB -0.590 29.173 29.700 0.104 0.000 0.744 533 E HN 0.538 nan 8.360 nan 0.000 0.451 534 E N -0.530 119.679 120.200 0.015 0.000 2.147 534 E HA -0.201 4.151 4.350 0.004 0.000 0.199 534 E C 1.692 178.223 176.600 -0.113 0.000 1.005 534 E CA 1.119 57.495 56.400 -0.040 0.000 0.810 534 E CB 0.152 29.825 29.700 -0.045 0.000 0.736 534 E HN 0.131 nan 8.360 nan 0.000 0.460 535 M N -1.510 117.947 119.600 -0.238 0.000 2.470 535 M HA 0.061 4.543 4.480 0.004 0.000 0.262 535 M C 0.027 176.029 176.300 -0.497 0.000 1.211 535 M CA 0.683 55.715 55.300 -0.446 0.000 1.125 535 M CB 0.422 32.619 32.600 -0.672 0.000 1.480 535 M HN 0.016 nan 8.290 nan 0.000 0.541 536 H N -0.687 118.379 119.070 -0.006 0.000 2.386 536 H HA 0.488 5.046 4.556 0.004 0.000 0.232 536 H C 0.919 176.345 175.328 0.163 0.000 1.416 536 H CA -0.138 55.927 56.048 0.027 0.000 1.285 536 H CB 0.472 30.242 29.762 0.012 0.000 1.625 536 H HN 0.184 nan 8.280 nan 0.000 0.521 537 A N 0.669 123.604 122.820 0.192 0.000 2.239 537 A HA -0.112 4.210 4.320 0.004 0.000 0.209 537 A C 1.115 178.859 177.584 0.266 0.000 1.171 537 A CA 1.276 53.476 52.037 0.271 0.000 0.768 537 A CB -0.018 19.086 19.000 0.173 0.000 0.790 537 A HN 0.631 nan 8.150 nan 0.000 0.478 538 D N -1.817 118.591 120.400 0.013 0.000 2.502 538 D HA 0.068 4.710 4.640 0.004 0.000 0.232 538 D C 1.311 177.349 176.300 -0.437 0.000 1.137 538 D CA -0.165 53.650 54.000 -0.309 0.000 0.827 538 D CB -0.706 39.881 40.800 -0.355 0.000 1.141 538 D HN 0.334 nan 8.370 nan 0.000 0.517 539 L N 0.448 121.533 121.223 -0.229 0.000 2.201 539 L HA -0.029 4.313 4.340 0.004 0.000 0.212 539 L C 2.257 179.451 176.870 0.539 0.000 1.105 539 L CA 1.115 55.997 54.840 0.070 0.000 0.775 539 L CB -0.539 41.580 42.059 0.100 0.000 0.913 539 L HN 0.054 nan 8.230 nan 0.000 0.440 540 F N 1.153 121.319 119.950 0.361 0.000 2.171 540 F HA -0.129 4.400 4.527 0.004 0.000 0.300 540 F C 1.598 177.580 175.800 0.304 0.000 1.090 540 F CA 0.207 58.403 58.000 0.327 0.000 1.293 540 F CB -0.673 38.455 39.000 0.213 0.000 1.013 540 F HN -0.102 nan 8.300 nan 0.000 0.486 541 R N 1.063 121.086 120.500 -0.796 0.000 2.340 541 R HA 0.498 4.840 4.340 0.004 0.000 0.300 541 R C 1.058 177.379 176.300 0.034 0.000 1.069 541 R CA 0.374 56.090 56.100 -0.640 0.000 0.984 541 R CB 1.191 30.882 30.300 -1.015 0.000 1.003 541 R HN 0.221 nan 8.270 nan 0.000 0.459 542 A N 3.360 126.221 122.820 0.068 0.000 1.930 542 A HA -0.145 4.177 4.320 0.004 0.000 0.217 542 A C 1.468 179.167 177.584 0.193 0.000 1.175 542 A CA 1.586 53.709 52.037 0.145 0.000 0.627 542 A CB -0.559 18.513 19.000 0.120 0.000 0.815 542 A HN 0.928 nan 8.150 nan 0.000 0.443 543 D N -1.400 119.077 120.400 0.129 0.000 2.123 543 D HA -0.197 4.445 4.640 0.004 0.000 0.196 543 D C 1.596 177.957 176.300 0.102 0.000 0.992 543 D CA 1.653 55.711 54.000 0.096 0.000 0.833 543 D CB -0.423 40.413 40.800 0.060 0.000 0.954 543 D HN 0.689 nan 8.370 nan 0.000 0.455 544 Y N -0.969 119.323 120.300 -0.014 0.000 2.483 544 Y HA -0.167 4.385 4.550 0.004 0.000 0.291 544 Y C 1.217 176.963 175.900 -0.256 0.000 1.143 544 Y CA 0.967 58.984 58.100 -0.137 0.000 1.289 544 Y CB -0.223 38.114 38.460 -0.205 0.000 0.983 544 Y HN -0.035 nan 8.280 nan 0.000 0.556 545 W N -0.017 121.075 121.300 -0.346 0.000 2.872 545 W HA 0.225 4.887 4.660 0.003 0.000 0.266 545 W C 2.147 178.292 176.519 -0.624 0.000 1.276 545 W CA 0.056 56.965 57.345 -0.726 0.000 1.471 545 W CB -0.193 28.402 29.460 -1.442 0.000 1.071 545 W HN -0.183 nan 8.180 nan 0.000 0.619 546 R N 0.615 121.039 120.500 -0.127 0.000 2.115 546 R HA -0.030 4.312 4.340 0.004 0.000 0.230 546 R C 2.370 178.620 176.300 -0.083 0.000 1.111 546 R CA 1.473 57.570 56.100 -0.005 0.000 0.976 546 R CB -0.743 29.584 30.300 0.044 0.000 0.870 546 R HN 0.100 nan 8.270 nan 0.000 0.445 547 A N 1.263 123.977 122.820 -0.177 0.000 1.859 547 A HA -0.198 4.125 4.320 0.004 0.000 0.217 547 A C 2.111 179.550 177.584 -0.242 0.000 1.198 547 A CA 1.542 53.447 52.037 -0.220 0.000 0.629 547 A CB -0.743 18.070 19.000 -0.311 0.000 0.830 547 A HN 0.192 nan 8.150 nan 0.000 0.446 548 L N -0.200 120.802 121.223 -0.368 0.000 2.046 548 L HA -0.251 4.091 4.340 0.004 0.000 0.208 548 L C 2.933 179.735 176.870 -0.114 0.000 1.077 548 L CA 1.895 56.563 54.840 -0.288 0.000 0.747 548 L CB -0.814 41.003 42.059 -0.404 0.000 0.896 548 L HN 0.731 nan 8.230 nan 0.000 0.432 549 Q N 0.181 119.955 119.800 -0.043 0.000 2.079 549 Q HA -0.229 4.113 4.340 0.004 0.000 0.200 549 Q C 1.955 177.969 176.000 0.023 0.000 0.974 549 Q CA 1.781 57.614 55.803 0.051 0.000 0.840 549 Q CB -0.427 28.403 28.738 0.154 0.000 0.898 549 Q HN 0.512 nan 8.270 nan 0.000 0.430 550 N N 0.391 119.089 118.700 -0.003 0.000 2.244 550 N HA -0.138 4.604 4.740 0.004 0.000 0.183 550 N C 1.796 177.294 175.510 -0.020 0.000 1.016 550 N CA 1.055 54.100 53.050 -0.008 0.000 0.866 550 N CB 0.039 38.514 38.487 -0.021 0.000 0.980 550 N HN 0.286 nan 8.380 nan 0.000 0.430 551 R N 0.473 120.948 120.500 -0.043 0.000 2.276 551 R HA 0.212 4.554 4.340 0.004 0.000 0.196 551 R C 1.942 178.258 176.300 0.026 0.000 0.961 551 R CA 0.076 56.150 56.100 -0.042 0.000 1.024 551 R CB 0.128 30.365 30.300 -0.106 0.000 0.940 551 R HN 0.149 nan 8.270 nan 0.000 0.480 552 I N 0.411 120.994 120.570 0.021 0.000 2.676 552 I HA -0.169 4.003 4.170 0.004 0.000 0.259 552 I C 1.387 177.529 176.117 0.043 0.000 1.194 552 I CA 1.095 62.416 61.300 0.035 0.000 1.473 552 I CB 0.096 38.111 38.000 0.024 0.000 1.096 552 I HN 0.113 nan 8.210 nan 0.000 0.443 553 R N -0.074 120.447 120.500 0.036 0.000 2.393 553 R HA 0.080 4.423 4.340 0.004 0.000 0.244 553 R C 1.117 177.444 176.300 0.044 0.000 0.920 553 R CA 0.090 56.211 56.100 0.036 0.000 1.076 553 R CB 0.108 30.422 30.300 0.023 0.000 1.119 553 R HN 0.197 nan 8.270 nan 0.000 0.524 554 E N 0.202 120.433 120.200 0.052 0.000 2.479 554 E HA 0.066 4.418 4.350 0.004 0.000 0.193 554 E C 0.886 177.543 176.600 0.094 0.000 1.049 554 E CA 0.531 56.963 56.400 0.055 0.000 0.870 554 E CB 0.548 30.265 29.700 0.029 0.000 0.944 554 E HN 0.462 nan 8.360 nan 0.000 0.492 555 G N 0.320 109.196 108.800 0.126 0.000 2.195 555 G HA2 -0.260 3.702 3.960 0.004 0.000 0.224 555 G HA3 -0.260 3.702 3.960 0.004 0.000 0.224 555 G C -0.042 174.888 174.900 0.050 0.000 0.990 555 G CA 0.073 45.272 45.100 0.165 0.000 0.639 555 G HN 0.434 nan 8.290 nan 0.000 0.514 556 H N 0.129 119.180 119.070 -0.032 0.000 2.517 556 H HA 0.654 5.212 4.556 0.004 0.000 0.317 556 H C -1.178 174.099 175.328 -0.085 0.000 1.080 556 H CA -0.091 55.911 56.048 -0.076 0.000 1.301 556 H CB 1.640 31.360 29.762 -0.070 0.000 1.425 556 H HN 0.147 nan 8.280 nan 0.000 0.471 557 V N 6.908 126.607 119.914 -0.358 0.000 2.462 557 V HA 0.065 4.187 4.120 0.004 0.000 0.288 557 V C -0.411 175.437 176.094 -0.410 0.000 1.020 557 V CA -0.745 61.408 62.300 -0.245 0.000 0.857 557 V CB 1.424 33.158 31.823 -0.147 0.000 1.013 557 V HN 0.844 nan 8.190 nan 0.000 0.431 558 E N 4.128 124.148 120.200 -0.299 0.000 2.729 558 E HA -0.031 4.321 4.350 0.004 0.000 0.246 558 E C -0.545 175.892 176.600 -0.272 0.000 0.984 558 E CA 0.340 56.582 56.400 -0.263 0.000 0.951 558 E CB 0.497 30.124 29.700 -0.121 0.000 0.914 558 E HN 0.604 nan 8.360 nan 0.000 0.509 559 D N 1.143 121.350 120.400 -0.321 0.000 2.411 559 D HA 0.143 4.786 4.640 0.004 0.000 0.251 559 D C -0.349 175.805 176.300 -0.243 0.000 1.201 559 D CA -0.470 53.373 54.000 -0.263 0.000 0.996 559 D CB 0.845 41.474 40.800 -0.285 0.000 1.101 559 D HN 0.160 nan 8.370 nan 0.000 0.504 560 V N 0.608 120.417 119.914 -0.175 0.000 2.644 560 V HA 0.311 4.433 4.120 0.004 0.000 0.295 560 V C -1.149 174.930 176.094 -0.025 0.000 1.053 560 V CA -0.488 61.715 62.300 -0.161 0.000 0.987 560 V CB 0.476 32.227 31.823 -0.120 0.000 1.006 560 V HN 0.397 nan 8.190 nan 0.000 0.472 561 Y N 4.298 124.493 120.300 -0.175 0.000 2.323 561 Y HA 0.534 5.086 4.550 0.003 0.000 0.331 561 Y C 1.102 176.738 175.900 -0.440 0.000 1.092 561 Y CA -0.703 57.173 58.100 -0.374 0.000 1.150 561 Y CB 1.769 40.011 38.460 -0.363 0.000 1.200 561 Y HN 0.742 nan 8.280 nan 0.000 0.472 562 A N 4.548 127.120 122.820 -0.413 0.000 2.412 562 A HA 0.211 4.533 4.320 0.004 0.000 0.253 562 A C -0.781 176.748 177.584 -0.091 0.000 1.334 562 A CA 0.091 52.042 52.037 -0.143 0.000 0.929 562 A CB -1.101 17.992 19.000 0.156 0.000 0.983 562 A HN 0.770 nan 8.150 nan 0.000 0.508 563 Y N -3.939 116.464 120.300 0.171 0.000 2.728 563 Y HA 0.678 5.230 4.550 0.003 0.000 0.330 563 Y C -0.017 175.947 175.900 0.107 0.000 1.234 563 Y CA -1.861 56.298 58.100 0.097 0.000 1.070 563 Y CB 0.565 39.040 38.460 0.025 0.000 1.300 563 Y HN -0.178 nan 8.280 nan 0.000 0.467 564 R N 1.150 121.822 120.500 0.286 0.000 2.442 564 R HA 0.203 4.545 4.340 0.004 0.000 0.291 564 R C 0.730 177.177 176.300 0.244 0.000 1.069 564 R CA -0.022 56.199 56.100 0.202 0.000 1.022 564 R CB 0.693 31.070 30.300 0.128 0.000 0.976 564 R HN 0.863 nan 8.270 nan 0.000 0.443 565 R N 1.801 122.439 120.500 0.229 0.000 2.371 565 R HA -0.121 4.221 4.340 0.004 0.000 0.226 565 R C 1.450 177.839 176.300 0.147 0.000 1.132 565 R CA 0.967 57.217 56.100 0.249 0.000 1.027 565 R CB 0.154 30.570 30.300 0.193 0.000 0.848 565 R HN 0.279 nan 8.270 nan 0.000 0.479 566 R N -0.186 120.376 120.500 0.103 0.000 2.173 566 R HA -0.032 4.310 4.340 0.004 0.000 0.208 566 R C 1.873 178.179 176.300 0.009 0.000 1.035 566 R CA 0.903 57.034 56.100 0.052 0.000 1.004 566 R CB -0.021 30.306 30.300 0.045 0.000 0.917 566 R HN 0.310 nan 8.270 nan 0.000 0.462 567 Q N 1.179 120.972 119.800 -0.012 0.000 2.123 567 Q HA -0.076 4.266 4.340 0.004 0.000 0.199 567 Q C 0.131 175.985 176.000 -0.243 0.000 0.966 567 Q CA 0.590 56.313 55.803 -0.132 0.000 0.845 567 Q CB 0.055 28.678 28.738 -0.191 0.000 0.907 567 Q HN 0.205 nan 8.270 nan 0.000 0.439 568 R N -0.372 120.002 120.500 -0.210 0.000 2.644 568 R HA -0.150 4.192 4.340 0.004 0.000 0.265 568 R C 0.049 176.232 176.300 -0.194 0.000 0.985 568 R CA 0.220 56.146 56.100 -0.291 0.000 1.097 568 R CB 0.029 30.263 30.300 -0.110 0.000 0.931 568 R HN 0.040 nan 8.270 nan 0.000 0.419 569 F N 1.432 121.215 119.950 -0.278 0.000 2.202 569 F HA -0.190 4.339 4.527 0.003 0.000 0.301 569 F C 2.708 178.384 175.800 -0.207 0.000 1.082 569 F CA 1.716 59.528 58.000 -0.314 0.000 1.313 569 F CB -0.867 37.832 39.000 -0.500 0.000 1.024 569 F HN 0.751 nan 8.300 nan 0.000 0.495 570 S N -0.894 114.832 115.700 0.042 0.000 2.370 570 S HA -0.103 4.369 4.470 0.004 0.000 0.226 570 S C 1.061 175.673 174.600 0.021 0.000 1.033 570 S CA 0.993 59.200 58.200 0.010 0.000 1.011 570 S CB -0.345 62.867 63.200 0.021 0.000 0.852 570 S HN 0.050 nan 8.310 nan 0.000 0.457 571 V N 0.000 119.932 119.914 0.030 0.000 2.409 571 V HA 0.000 4.122 4.120 0.004 0.000 0.244 571 V CA 0.000 62.318 62.300 0.030 0.000 1.235 571 V CB 0.000 31.846 31.823 0.037 0.000 1.184 571 V HN 0.000 nan 8.190 nan 0.000 0.556