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 1zzh_1_C DATA FIRST_RESID 4 DATA SEQUENCE ALREEAKGLF EVIPMQAPQX XXXNTVTRDK IDLGAMLFFD PRMSKSGVFS DATA SEQUENCE CQSCHNVGLG GVDGLETSIG HGWQKGPRNA PTALNAVFNV AQFWDGRAPD DATA SEQUENCE LAAQAXXXXX XXXXMNNTPE NLVATVQSMP GYVEAFAKAF PGQKDPISFD DATA SEQUENCE NFALAVEAFE ATLITPNSKF DQWLMGADGA MSADEKAGLK LFIDTGCAAC DATA SEQUENCE HNGINIGGNG YYPFGVVEKP GAEVLPAXXX GRFAVTATAD DEYVFRAGPL DATA SEQUENCE RNIALTAPYF HSGKVWDLRE AVSVMANSQL GATLDDTQVD QITAFLGTLT DATA SEQUENCE GEQPEVVHPI LPVRSAQTPR PEH 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.644 177.584 0.100 0.000 1.274 4 A CA 0.000 52.070 52.037 0.055 0.000 0.836 4 A CB 0.000 19.032 19.000 0.054 0.000 0.831 5 L N 1.397 122.721 121.223 0.170 0.000 2.141 5 L HA 0.121 4.461 4.340 -0.000 0.000 0.209 5 L C 2.218 179.307 176.870 0.364 0.000 1.094 5 L CA 2.852 57.842 54.840 0.250 0.000 0.763 5 L CB -0.610 41.626 42.059 0.294 0.000 0.908 5 L HN 0.543 nan 8.230 nan 0.000 0.437 6 R N -0.685 119.991 120.500 0.293 0.000 2.081 6 R HA -0.215 4.124 4.340 -0.000 0.000 0.235 6 R C 2.213 178.535 176.300 0.036 0.000 1.131 6 R CA 1.489 57.608 56.100 0.031 0.000 0.960 6 R CB -0.199 29.817 30.300 -0.472 0.000 0.856 6 R HN 0.383 nan 8.270 nan 0.000 0.436 7 E N 0.889 121.104 120.200 0.024 0.000 2.058 7 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 7 E C 1.697 178.326 176.600 0.049 0.000 0.997 7 E CA 1.976 58.384 56.400 0.012 0.000 0.801 7 E CB -0.091 29.613 29.700 0.006 0.000 0.746 7 E HN 0.508 nan 8.360 nan 0.000 0.450 8 E N -0.567 119.686 120.200 0.088 0.000 2.051 8 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 8 E C 1.962 178.638 176.600 0.127 0.000 0.991 8 E CA 1.199 57.653 56.400 0.089 0.000 0.799 8 E CB -0.292 29.468 29.700 0.099 0.000 0.748 8 E HN 0.281 nan 8.360 nan 0.000 0.449 9 A N 1.234 124.210 122.820 0.260 0.000 1.902 9 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 9 A C 2.070 179.848 177.584 0.323 0.000 1.181 9 A CA 1.668 53.973 52.037 0.448 0.000 0.623 9 A CB -0.438 19.000 19.000 0.729 0.000 0.818 9 A HN 0.176 nan 8.150 nan 0.000 0.443 10 K N -0.900 119.606 120.400 0.176 0.000 2.280 10 K HA -0.107 4.213 4.320 -0.000 0.000 0.202 10 K C 1.797 178.412 176.600 0.026 0.000 1.047 10 K CA 0.881 57.215 56.287 0.079 0.000 0.942 10 K CB -0.289 32.212 32.500 0.002 0.000 0.739 10 K HN 0.505 nan 8.250 nan 0.000 0.457 11 G N 0.007 108.805 108.800 -0.002 0.000 2.712 11 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.212 11 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.212 11 G C 1.210 176.027 174.900 -0.137 0.000 1.142 11 G CA 0.097 45.165 45.100 -0.052 0.000 0.789 11 G HN 0.106 nan 8.290 nan 0.000 0.535 12 L N -1.542 119.516 121.223 -0.275 0.000 2.642 12 L HA 0.454 4.793 4.340 -0.000 0.000 0.233 12 L C -0.019 176.376 176.870 -0.791 0.000 1.077 12 L CA -0.036 54.411 54.840 -0.654 0.000 0.879 12 L CB 0.378 41.791 42.059 -1.076 0.000 1.151 12 L HN 0.058 nan 8.230 nan 0.000 0.495 13 F N -1.171 118.884 119.950 0.174 0.000 2.664 13 F HA 0.539 5.066 4.527 0.000 0.000 0.329 13 F C -0.216 175.640 175.800 0.093 0.000 1.090 13 F CA -0.941 57.170 58.000 0.185 0.000 0.978 13 F CB 1.368 40.590 39.000 0.370 0.000 1.378 13 F HN -0.301 nan 8.300 nan 0.000 0.495 14 E N 0.013 120.381 120.200 0.279 0.000 2.369 14 E HA 0.543 4.893 4.350 -0.000 0.000 0.270 14 E C -1.552 175.077 176.600 0.049 0.000 0.909 14 E CA -1.127 55.323 56.400 0.084 0.000 0.775 14 E CB 3.325 33.019 29.700 -0.011 0.000 1.270 14 E HN 0.416 nan 8.360 nan 0.000 0.445 15 V N 2.052 121.941 119.914 -0.042 0.000 3.036 15 V HA 0.297 4.417 4.120 -0.000 0.000 0.308 15 V C -0.418 175.613 176.094 -0.106 0.000 1.070 15 V CA -0.551 61.708 62.300 -0.068 0.000 1.056 15 V CB 0.963 32.726 31.823 -0.100 0.000 1.084 15 V HN 0.506 nan 8.190 nan 0.000 0.471 16 I N 6.321 126.846 120.570 -0.076 0.000 2.416 16 I HA 0.344 4.513 4.170 -0.000 0.000 0.288 16 I C -1.846 174.228 176.117 -0.071 0.000 1.051 16 I CA -1.945 59.299 61.300 -0.094 0.000 1.375 16 I CB 0.883 38.898 38.000 0.025 0.000 1.407 16 I HN 0.610 nan 8.210 nan 0.000 0.516 17 P HA 0.028 nan 4.420 nan 0.000 0.272 17 P C 0.691 177.996 177.300 0.009 0.000 1.240 17 P CA -0.471 62.602 63.100 -0.044 0.000 0.791 17 P CB 0.961 32.632 31.700 -0.049 0.000 0.978 18 M N 0.224 119.823 119.600 -0.001 0.000 2.279 18 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 18 M C 0.596 176.904 176.300 0.013 0.000 1.062 18 M CA 1.934 57.236 55.300 0.002 0.000 1.099 18 M CB -0.502 32.093 32.600 -0.008 0.000 1.394 18 M HN 0.556 nan 8.290 nan 0.000 0.426 19 Q N -0.218 119.598 119.800 0.026 0.000 2.295 19 Q HA 0.631 4.971 4.340 -0.000 0.000 0.268 19 Q C -1.324 174.721 176.000 0.074 0.000 1.010 19 Q CA -0.636 55.185 55.803 0.030 0.000 0.856 19 Q CB 1.323 30.063 28.738 0.003 0.000 1.349 19 Q HN 0.158 nan 8.270 nan 0.000 0.412 20 A N 3.919 126.802 122.820 0.105 0.000 2.540 20 A HA 0.273 4.593 4.320 -0.000 0.000 0.239 20 A C -1.511 176.127 177.584 0.091 0.000 1.061 20 A CA -0.905 51.243 52.037 0.185 0.000 0.758 20 A CB -0.322 18.695 19.000 0.029 0.000 0.991 20 A HN 0.723 nan 8.150 nan 0.000 0.502 21 P HA -0.111 nan 4.420 nan 0.000 0.288 21 P C 0.314 177.630 177.300 0.027 0.000 1.448 21 P CA 0.174 63.306 63.100 0.052 0.000 0.764 21 P CB -0.611 31.121 31.700 0.053 0.000 1.472 28 T N -1.787 112.739 114.554 -0.046 0.000 12.057 28 T HA -0.076 4.274 4.350 -0.000 0.000 0.412 28 T C 2.764 177.422 174.700 -0.070 0.000 1.495 28 T CA 3.853 65.924 62.100 -0.048 0.000 2.454 28 T CB -2.274 66.573 68.868 -0.036 0.000 2.808 28 T HN 1.868 nan 8.240 nan 0.000 0.847 29 V N 0.418 120.283 119.914 -0.080 0.000 2.719 29 V HA 0.322 4.442 4.120 -0.000 0.000 0.252 29 V C 2.754 178.748 176.094 -0.166 0.000 1.065 29 V CA 3.096 65.323 62.300 -0.123 0.000 1.086 29 V CB -0.576 31.181 31.823 -0.110 0.000 0.700 29 V HN 1.057 nan 8.190 nan 0.000 0.467 30 T N -0.981 113.500 114.554 -0.122 0.000 3.054 30 T HA 0.077 4.427 4.350 -0.000 0.000 0.259 30 T C 2.185 176.826 174.700 -0.099 0.000 1.092 30 T CA 1.875 63.902 62.100 -0.121 0.000 1.121 30 T CB -0.153 68.664 68.868 -0.085 0.000 0.912 30 T HN 0.702 nan 8.240 nan 0.000 0.489 31 R N 1.172 121.623 120.500 -0.082 0.000 2.153 31 R HA 0.108 4.448 4.340 -0.000 0.000 0.218 31 R C 1.978 178.232 176.300 -0.076 0.000 1.072 31 R CA 1.528 57.590 56.100 -0.062 0.000 0.990 31 R CB -1.120 29.151 30.300 -0.048 0.000 0.889 31 R HN 0.489 nan 8.270 nan 0.000 0.452 32 D N 0.078 120.415 120.400 -0.105 0.000 2.213 32 D HA 0.022 4.662 4.640 -0.000 0.000 0.205 32 D C 2.468 178.660 176.300 -0.181 0.000 0.961 32 D CA 1.817 55.742 54.000 -0.125 0.000 0.853 32 D CB 0.037 40.761 40.800 -0.128 0.000 0.967 32 D HN 0.558 nan 8.370 nan 0.000 0.496 33 K N 1.027 121.287 120.400 -0.232 0.000 2.097 33 K HA -0.053 4.267 4.320 -0.000 0.000 0.205 33 K C 2.138 178.642 176.600 -0.161 0.000 1.050 33 K CA 0.817 56.926 56.287 -0.296 0.000 0.938 33 K CB -1.020 31.288 32.500 -0.319 0.000 0.718 33 K HN 0.175 nan 8.250 nan 0.000 0.442 34 I N 1.177 121.693 120.570 -0.091 0.000 2.202 34 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 34 I C 1.914 178.027 176.117 -0.006 0.000 1.091 34 I CA 1.380 62.685 61.300 0.008 0.000 1.368 34 I CB -0.283 37.734 38.000 0.029 0.000 1.058 34 I HN 0.345 nan 8.210 nan 0.000 0.410 35 D N 0.751 121.116 120.400 -0.059 0.000 2.123 35 D HA -0.185 4.455 4.640 -0.000 0.000 0.196 35 D C 2.006 178.235 176.300 -0.118 0.000 0.992 35 D CA 1.160 55.107 54.000 -0.088 0.000 0.833 35 D CB -0.303 40.449 40.800 -0.080 0.000 0.954 35 D HN 0.186 nan 8.370 nan 0.000 0.455 36 L N 0.882 122.027 121.223 -0.130 0.000 2.056 36 L HA 0.025 4.365 4.340 -0.000 0.000 0.207 36 L C 2.187 178.967 176.870 -0.150 0.000 1.078 36 L CA 2.079 56.834 54.840 -0.141 0.000 0.749 36 L CB -0.975 40.914 42.059 -0.282 0.000 0.901 36 L HN 0.041 nan 8.230 nan 0.000 0.433 37 G N -0.932 107.777 108.800 -0.152 0.000 2.440 37 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 37 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 37 G C 1.618 176.370 174.900 -0.247 0.000 1.154 37 G CA 0.938 45.972 45.100 -0.110 0.000 0.767 37 G HN 0.662 nan 8.290 nan 0.000 0.552 38 A N 0.864 123.374 122.820 -0.517 0.000 1.865 38 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 38 A C 2.499 179.920 177.584 -0.271 0.000 1.191 38 A CA 2.112 53.575 52.037 -0.957 0.000 0.623 38 A CB -0.450 18.134 19.000 -0.693 0.000 0.826 38 A HN 0.397 nan 8.150 nan 0.000 0.444 39 M N -0.586 118.934 119.600 -0.132 0.000 2.065 39 M HA -0.162 4.318 4.480 -0.000 0.000 0.259 39 M C 2.224 178.641 176.300 0.196 0.000 1.069 39 M CA 1.690 57.016 55.300 0.043 0.000 1.110 39 M CB -0.715 31.938 32.600 0.088 0.000 1.328 39 M HN 0.380 nan 8.290 nan 0.000 0.405 40 L N -1.015 120.299 121.223 0.152 0.000 2.012 40 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 40 L C 2.551 179.499 176.870 0.129 0.000 1.073 40 L CA 1.440 56.336 54.840 0.093 0.000 0.748 40 L CB -0.836 41.037 42.059 -0.310 0.000 0.891 40 L HN 0.198 nan 8.230 nan 0.000 0.431 41 F N 0.007 119.926 119.950 -0.051 0.000 2.161 41 F HA -0.232 4.295 4.527 -0.000 0.000 0.300 41 F C 1.868 177.614 175.800 -0.090 0.000 1.089 41 F CA 1.532 59.505 58.000 -0.045 0.000 1.282 41 F CB -0.078 38.867 39.000 -0.091 0.000 1.010 41 F HN -0.101 nan 8.300 nan 0.000 0.485 42 F N -0.633 119.347 119.950 0.050 0.000 2.727 42 F HA 0.120 4.647 4.527 -0.000 0.000 0.302 42 F C 0.571 176.400 175.800 0.049 0.000 1.097 42 F CA -0.120 57.879 58.000 -0.001 0.000 1.330 42 F CB -0.240 38.626 39.000 -0.224 0.000 1.084 42 F HN -0.249 nan 8.300 nan 0.000 0.578 43 D N 2.160 122.697 120.400 0.229 0.000 2.347 43 D HA 0.116 4.756 4.640 -0.000 0.000 0.235 43 D C -1.651 174.755 176.300 0.177 0.000 1.149 43 D CA -2.154 51.989 54.000 0.239 0.000 0.850 43 D CB 1.587 42.586 40.800 0.332 0.000 1.061 43 D HN 0.017 nan 8.370 nan 0.000 0.487 44 P HA -0.023 nan 4.420 nan 0.000 0.233 44 P C 0.851 178.213 177.300 0.102 0.000 1.167 44 P CA 0.312 63.478 63.100 0.110 0.000 0.770 44 P CB 0.470 32.218 31.700 0.080 0.000 0.837 45 R N -0.965 119.613 120.500 0.130 0.000 2.307 45 R HA 0.176 4.515 4.340 -0.000 0.000 0.199 45 R C 1.877 178.246 176.300 0.115 0.000 1.000 45 R CA 0.451 56.621 56.100 0.116 0.000 1.023 45 R CB -0.349 30.036 30.300 0.141 0.000 0.908 45 R HN 0.138 nan 8.270 nan 0.000 0.473 46 M N 0.358 120.042 119.600 0.141 0.000 2.562 46 M HA 0.019 4.499 4.480 -0.000 0.000 0.257 46 M C 0.841 177.196 176.300 0.090 0.000 1.099 46 M CA 0.601 55.982 55.300 0.136 0.000 1.099 46 M CB -0.356 32.382 32.600 0.231 0.000 1.427 46 M HN -0.067 nan 8.290 nan 0.000 0.489 47 S N -0.450 115.303 115.700 0.088 0.000 2.578 47 S HA 0.341 4.811 4.470 -0.000 0.000 0.283 47 S C 0.955 175.587 174.600 0.053 0.000 1.195 47 S CA -0.674 57.572 58.200 0.077 0.000 1.050 47 S CB 2.419 65.698 63.200 0.132 0.000 1.012 47 S HN 0.052 nan 8.310 nan 0.000 0.511 48 K N 2.023 122.445 120.400 0.038 0.000 2.074 48 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 48 K C 2.214 178.827 176.600 0.022 0.000 1.048 48 K CA 2.246 58.546 56.287 0.021 0.000 0.926 48 K CB -0.757 31.751 32.500 0.012 0.000 0.713 48 K HN 0.818 nan 8.250 nan 0.000 0.444 49 S N -1.672 114.047 115.700 0.031 0.000 2.489 49 S HA 0.090 4.560 4.470 -0.000 0.000 0.228 49 S C 1.492 176.086 174.600 -0.012 0.000 0.995 49 S CA 0.595 58.799 58.200 0.008 0.000 0.934 49 S CB -0.189 63.015 63.200 0.007 0.000 0.771 49 S HN 0.528 nan 8.310 nan 0.000 0.522 50 G N 0.463 109.267 108.800 0.006 0.000 2.143 50 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.248 50 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.248 50 G C 0.667 175.542 174.900 -0.041 0.000 0.991 50 G CA 0.708 45.810 45.100 0.004 0.000 0.689 50 G HN 1.443 nan 8.290 nan 0.000 0.522 51 V N -2.661 117.181 119.914 -0.119 0.000 3.455 51 V HA 0.671 4.791 4.120 -0.000 0.000 0.250 51 V C 0.791 176.681 176.094 -0.340 0.000 1.230 51 V CA 0.377 62.510 62.300 -0.278 0.000 1.105 51 V CB 0.012 31.554 31.823 -0.468 0.000 0.850 51 V HN 0.302 nan 8.190 nan 0.000 0.461 52 F N 2.365 122.307 119.950 -0.013 0.000 2.436 52 F HA 0.727 5.254 4.527 -0.000 0.000 0.340 52 F C 0.618 176.391 175.800 -0.044 0.000 1.113 52 F CA -0.138 57.838 58.000 -0.039 0.000 1.022 52 F CB 1.971 40.930 39.000 -0.069 0.000 1.128 52 F HN 0.242 nan 8.300 nan 0.000 0.466 53 S N 0.655 116.443 115.700 0.146 0.000 2.689 53 S HA 0.323 4.793 4.470 -0.000 0.000 0.306 53 S C 0.693 175.197 174.600 -0.159 0.000 1.104 53 S CA -0.932 57.269 58.200 0.003 0.000 0.973 53 S CB 1.142 64.345 63.200 0.005 0.000 1.121 53 S HN 0.790 nan 8.310 nan 0.000 0.523 54 C N 0.765 119.821 119.300 -0.408 0.000 2.398 54 C HA -0.111 4.349 4.460 -0.000 0.000 0.276 54 C C 2.872 177.474 174.990 -0.647 0.000 1.222 54 C CA 1.438 60.063 59.018 -0.654 0.000 1.746 54 C CB -1.793 25.025 27.740 -1.537 0.000 2.039 54 C HN 1.062 nan 8.230 nan 0.000 0.470 55 Q N 2.321 121.619 119.800 -0.838 0.000 2.133 55 Q HA -0.192 4.148 4.340 -0.000 0.000 0.208 55 Q C 2.072 178.009 176.000 -0.105 0.000 0.991 55 Q CA 2.615 58.187 55.803 -0.384 0.000 0.867 55 Q CB -0.691 27.649 28.738 -0.663 0.000 0.911 55 Q HN 0.656 nan 8.270 nan 0.000 0.417 56 S N -1.039 114.625 115.700 -0.060 0.000 2.372 56 S HA -0.204 4.265 4.470 -0.000 0.000 0.227 56 S C 1.891 176.495 174.600 0.008 0.000 1.044 56 S CA 1.471 59.715 58.200 0.074 0.000 1.050 56 S CB -0.574 62.794 63.200 0.279 0.000 0.901 56 S HN 0.640 nan 8.310 nan 0.000 0.447 57 C N -0.135 119.074 119.300 -0.152 0.000 2.735 57 C HA 0.212 4.672 4.460 -0.000 0.000 0.271 57 C C 0.886 175.632 174.990 -0.407 0.000 1.281 57 C CA -0.407 58.416 59.018 -0.324 0.000 1.719 57 C CB -0.781 26.640 27.740 -0.532 0.000 2.024 57 C HN 0.553 nan 8.230 nan 0.000 0.566 58 H N 1.133 120.214 119.070 0.019 0.000 2.429 58 H HA 0.203 4.759 4.556 -0.000 0.000 0.237 58 H C -0.142 175.280 175.328 0.157 0.000 1.378 58 H CA -0.255 55.864 56.048 0.117 0.000 1.170 58 H CB -0.448 29.446 29.762 0.220 0.000 1.671 58 H HN 0.329 nan 8.280 nan 0.000 0.541 59 N N 2.216 121.012 118.700 0.160 0.000 2.414 59 N HA -0.075 4.665 4.740 -0.000 0.000 0.268 59 N C 1.579 177.200 175.510 0.186 0.000 1.286 59 N CA 0.173 53.318 53.050 0.158 0.000 0.896 59 N CB 1.046 39.604 38.487 0.119 0.000 1.093 59 N HN 0.272 nan 8.380 nan 0.000 0.480 60 V N 2.392 122.441 119.914 0.225 0.000 3.078 60 V HA 0.057 4.177 4.120 -0.000 0.000 0.265 60 V C 1.620 177.816 176.094 0.169 0.000 1.122 60 V CA 1.762 64.185 62.300 0.206 0.000 1.141 60 V CB -0.626 31.372 31.823 0.292 0.000 0.735 60 V HN 0.573 nan 8.190 nan 0.000 0.498 61 G N -0.520 108.381 108.800 0.169 0.000 2.887 61 G HA2 0.286 4.246 3.960 -0.000 0.000 0.211 61 G HA3 0.286 4.246 3.960 -0.000 0.000 0.211 61 G C 0.784 175.746 174.900 0.103 0.000 1.152 61 G CA -0.115 45.065 45.100 0.133 0.000 0.769 61 G HN 0.489 nan 8.290 nan 0.000 0.541 62 L N 1.456 122.741 121.223 0.103 0.000 2.999 62 L HA 0.323 4.663 4.340 -0.000 0.000 0.263 62 L C 1.315 178.230 176.870 0.075 0.000 1.320 62 L CA -0.187 54.702 54.840 0.082 0.000 0.913 62 L CB 0.454 42.561 42.059 0.080 0.000 1.296 62 L HN 0.249 nan 8.230 nan 0.000 0.546 63 G N 0.186 109.028 108.800 0.069 0.000 2.321 63 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.287 63 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.287 63 G C 1.025 175.971 174.900 0.077 0.000 1.018 63 G CA 0.578 45.713 45.100 0.058 0.000 0.855 63 G HN 0.887 nan 8.290 nan 0.000 0.507 64 G N -3.186 105.678 108.800 0.107 0.000 2.203 64 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.263 64 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.263 64 G C 0.475 175.502 174.900 0.212 0.000 1.012 64 G CA 0.935 46.133 45.100 0.163 0.000 0.749 64 G HN 1.622 nan 8.290 nan 0.000 0.512 65 V N -0.503 119.491 119.914 0.134 0.000 3.184 65 V HA 0.679 4.799 4.120 -0.000 0.000 0.308 65 V C 0.929 177.041 176.094 0.030 0.000 1.243 65 V CA 0.236 62.590 62.300 0.090 0.000 1.058 65 V CB 1.811 33.666 31.823 0.053 0.000 1.183 65 V HN 0.290 nan 8.190 nan 0.000 0.471 66 D N -0.664 119.727 120.400 -0.016 0.000 2.441 66 D HA 0.197 4.837 4.640 -0.000 0.000 0.210 66 D C 1.246 177.559 176.300 0.022 0.000 1.102 66 D CA 0.734 54.728 54.000 -0.010 0.000 0.840 66 D CB 0.612 41.376 40.800 -0.060 0.000 0.990 66 D HN 1.119 nan 8.370 nan 0.000 0.505 67 G N 0.631 109.433 108.800 0.003 0.000 2.155 67 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.257 67 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.257 67 G C -0.014 174.933 174.900 0.077 0.000 0.983 67 G CA 0.739 45.858 45.100 0.032 0.000 0.676 67 G HN 0.420 nan 8.290 nan 0.000 0.528 68 L N -0.779 120.452 121.223 0.013 0.000 2.332 68 L HA 0.497 4.837 4.340 -0.000 0.000 0.269 68 L C 1.638 178.468 176.870 -0.067 0.000 1.016 68 L CA -1.110 53.766 54.840 0.059 0.000 0.809 68 L CB 0.844 42.935 42.059 0.052 0.000 1.280 68 L HN 0.065 nan 8.230 nan 0.000 0.447 69 E N 0.308 120.511 120.200 0.006 0.000 2.051 69 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 69 E C 0.238 176.786 176.600 -0.086 0.000 0.991 69 E CA 1.742 58.086 56.400 -0.094 0.000 0.799 69 E CB 0.124 29.854 29.700 0.051 0.000 0.748 69 E HN 0.812 nan 8.360 nan 0.000 0.449 70 T N -2.142 112.395 114.554 -0.028 0.000 2.792 70 T HA 0.513 4.863 4.350 -0.000 0.000 0.303 70 T C -0.575 174.112 174.700 -0.023 0.000 1.310 70 T CA -0.561 61.525 62.100 -0.023 0.000 1.007 70 T CB 2.220 71.076 68.868 -0.020 0.000 1.335 70 T HN 0.149 nan 8.240 nan 0.000 0.504 71 S N -0.235 115.443 115.700 -0.036 0.000 2.661 71 S HA 0.766 5.236 4.470 -0.000 0.000 0.268 71 S C -1.844 172.697 174.600 -0.099 0.000 1.162 71 S CA -1.127 57.016 58.200 -0.095 0.000 0.817 71 S CB 0.965 64.061 63.200 -0.174 0.000 1.141 71 S HN 0.975 nan 8.310 nan 0.000 0.477 72 I N 0.814 121.278 120.570 -0.176 0.000 2.529 72 I HA 0.589 4.759 4.170 -0.000 0.000 0.284 72 I C 0.420 176.368 176.117 -0.280 0.000 1.088 72 I CA -0.660 60.541 61.300 -0.166 0.000 1.062 72 I CB 1.997 39.933 38.000 -0.106 0.000 1.218 72 I HN 1.049 nan 8.210 nan 0.000 0.442 73 G N 4.728 113.327 108.800 -0.335 0.000 4.000 73 G HA2 0.259 4.219 3.960 -0.000 0.000 0.260 73 G HA3 0.259 4.219 3.960 -0.000 0.000 0.260 73 G C -0.069 174.322 174.900 -0.848 0.000 1.047 73 G CA 0.012 44.789 45.100 -0.538 0.000 0.860 73 G HN 0.535 nan 8.290 nan 0.000 0.464 74 H N -0.720 118.103 119.070 -0.411 0.000 2.771 74 H HA 0.344 4.900 4.556 -0.000 0.000 0.361 74 H C 1.075 176.109 175.328 -0.490 0.000 1.108 74 H CA -0.084 55.590 56.048 -0.623 0.000 1.201 74 H CB 1.928 30.758 29.762 -1.553 0.000 1.681 74 H HN 0.060 nan 8.280 nan 0.000 0.534 75 G N 1.486 110.203 108.800 -0.138 0.000 2.442 75 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.219 75 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.219 75 G C 1.380 176.295 174.900 0.026 0.000 1.141 75 G CA 0.832 45.911 45.100 -0.034 0.000 0.763 75 G HN 0.788 nan 8.290 nan 0.000 0.554 76 W N 0.795 122.147 121.300 0.087 0.000 2.421 76 W HA 0.176 4.836 4.660 0.000 0.000 0.270 76 W C 0.959 177.495 176.519 0.027 0.000 1.233 76 W CA -0.304 57.038 57.345 -0.006 0.000 1.226 76 W CB -0.561 28.839 29.460 -0.099 0.000 1.121 76 W HN 0.123 nan 8.180 nan 0.000 0.579 77 Q N 1.743 121.455 119.800 -0.147 0.000 2.310 77 Q HA -0.085 4.255 4.340 -0.000 0.000 0.315 77 Q C 0.969 177.045 176.000 0.126 0.000 1.081 77 Q CA 0.498 56.322 55.803 0.036 0.000 0.981 77 Q CB 0.647 29.326 28.738 -0.099 0.000 1.184 77 Q HN 0.019 nan 8.270 nan 0.000 0.389 78 K N 1.574 122.090 120.400 0.192 0.000 2.417 78 K HA 0.230 4.550 4.320 -0.000 0.000 0.196 78 K C 0.298 176.970 176.600 0.119 0.000 1.023 78 K CA 0.528 56.908 56.287 0.156 0.000 1.122 78 K CB 0.644 33.271 32.500 0.211 0.000 0.850 78 K HN 0.783 nan 8.250 nan 0.000 0.521 79 G N 1.200 110.062 108.800 0.104 0.000 2.368 79 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.302 79 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.302 79 G C -3.216 171.729 174.900 0.075 0.000 1.329 79 G CA -1.211 43.936 45.100 0.078 0.000 0.935 79 G HN -0.236 nan 8.290 nan 0.000 0.590 80 P HA 0.306 nan 4.420 nan 0.000 0.262 80 P C -0.325 177.002 177.300 0.045 0.000 1.199 80 P CA 0.290 63.410 63.100 0.033 0.000 0.763 80 P CB 0.392 32.103 31.700 0.019 0.000 0.790 81 R N 2.461 122.995 120.500 0.056 0.000 2.837 81 R HA 0.335 4.675 4.340 -0.000 0.000 0.271 81 R C -0.068 176.279 176.300 0.079 0.000 0.993 81 R CA -0.934 55.188 56.100 0.036 0.000 0.931 81 R CB 1.377 31.769 30.300 0.154 0.000 1.206 81 R HN 0.403 nan 8.270 nan 0.000 0.474 82 N N 1.205 119.942 118.700 0.062 0.000 2.420 82 N HA 0.063 4.803 4.740 -0.000 0.000 0.262 82 N C -0.777 174.969 175.510 0.393 0.000 1.144 82 N CA 0.076 53.218 53.050 0.153 0.000 0.952 82 N CB 0.972 39.515 38.487 0.093 0.000 1.081 82 N HN 0.567 nan 8.380 nan 0.000 0.480 83 A N 5.941 128.888 122.820 0.213 0.000 2.522 83 A HA 0.202 4.522 4.320 -0.000 0.000 0.256 83 A C -1.992 175.747 177.584 0.258 0.000 1.086 83 A CA -0.882 51.291 52.037 0.226 0.000 0.763 83 A CB -0.078 18.919 19.000 -0.005 0.000 1.024 83 A HN 0.574 nan 8.150 nan 0.000 0.502 84 P HA 0.160 nan 4.420 nan 0.000 0.281 84 P C 0.188 177.620 177.300 0.219 0.000 1.249 84 P CA -0.196 63.014 63.100 0.183 0.000 0.810 84 P CB 0.820 32.538 31.700 0.031 0.000 1.008 85 T N 0.599 115.229 114.554 0.128 0.000 2.930 85 T HA 0.226 4.576 4.350 -0.000 0.000 0.306 85 T C 1.518 176.251 174.700 0.055 0.000 1.045 85 T CA 0.227 62.401 62.100 0.125 0.000 1.134 85 T CB -0.073 68.831 68.868 0.060 0.000 0.961 85 T HN 0.405 nan 8.240 nan 0.000 0.545 86 A N 5.018 127.868 122.820 0.049 0.000 2.072 86 A HA 0.292 4.612 4.320 -0.000 0.000 0.216 86 A C 1.117 178.629 177.584 -0.120 0.000 1.156 86 A CA 0.211 52.196 52.037 -0.087 0.000 0.701 86 A CB -0.409 18.581 19.000 -0.017 0.000 0.816 86 A HN 0.795 nan 8.150 nan 0.000 0.458 87 L N 1.260 122.441 121.223 -0.069 0.000 2.615 87 L HA 0.001 4.341 4.340 -0.000 0.000 0.271 87 L C 0.248 177.065 176.870 -0.089 0.000 1.183 87 L CA -0.092 54.694 54.840 -0.090 0.000 0.933 87 L CB -0.290 41.747 42.059 -0.036 0.000 1.199 87 L HN 0.470 nan 8.230 nan 0.000 0.487 88 N N 1.360 119.970 118.700 -0.150 0.000 2.936 88 N HA -0.258 4.482 4.740 -0.000 0.000 0.236 88 N C 1.236 176.622 175.510 -0.207 0.000 0.930 88 N CA 1.213 54.183 53.050 -0.133 0.000 0.966 88 N CB -0.762 37.802 38.487 0.128 0.000 1.090 88 N HN 0.810 nan 8.380 nan 0.000 0.592 89 A N 0.831 123.523 122.820 -0.212 0.000 2.032 89 A HA -0.128 4.192 4.320 -0.000 0.000 0.221 89 A C 2.312 179.741 177.584 -0.258 0.000 1.165 89 A CA 2.254 54.173 52.037 -0.196 0.000 0.645 89 A CB -0.642 18.246 19.000 -0.186 0.000 0.807 89 A HN 0.604 nan 8.150 nan 0.000 0.453 90 V N -3.977 115.683 119.914 -0.423 0.000 2.720 90 V HA -0.176 3.943 4.120 -0.000 0.000 0.256 90 V C 2.004 177.888 176.094 -0.350 0.000 1.082 90 V CA 1.810 63.842 62.300 -0.445 0.000 1.101 90 V CB -1.330 30.134 31.823 -0.598 0.000 0.693 90 V HN 0.492 nan 8.190 nan 0.000 0.479 91 F N 0.365 120.266 119.950 -0.082 0.000 2.789 91 F HA 0.270 4.797 4.527 0.000 0.000 0.300 91 F C 1.208 176.964 175.800 -0.073 0.000 1.132 91 F CA -0.404 57.557 58.000 -0.064 0.000 1.404 91 F CB -0.201 38.772 39.000 -0.044 0.000 1.114 91 F HN 0.196 nan 8.300 nan 0.000 0.584 92 N N 0.999 119.716 118.700 0.028 0.000 2.513 92 N HA 0.007 4.746 4.740 -0.000 0.000 0.268 92 N C 1.048 176.508 175.510 -0.084 0.000 1.180 92 N CA 0.080 53.103 53.050 -0.046 0.000 0.948 92 N CB 2.179 40.588 38.487 -0.130 0.000 1.083 92 N HN 0.035 nan 8.380 nan 0.000 0.455 93 V N 1.242 121.108 119.914 -0.081 0.000 2.685 93 V HA 0.255 4.375 4.120 -0.000 0.000 0.244 93 V C 0.569 176.584 176.094 -0.132 0.000 1.054 93 V CA 0.796 63.047 62.300 -0.082 0.000 1.076 93 V CB -0.102 31.695 31.823 -0.042 0.000 0.725 93 V HN 0.641 nan 8.190 nan 0.000 0.467 94 A N 0.586 123.290 122.820 -0.192 0.000 2.253 94 A HA 0.580 4.900 4.320 -0.000 0.000 0.316 94 A C 0.337 177.703 177.584 -0.364 0.000 1.327 94 A CA -0.408 51.473 52.037 -0.259 0.000 0.917 94 A CB 0.632 19.267 19.000 -0.608 0.000 1.162 94 A HN 0.617 nan 8.150 nan 0.000 0.535 95 Q N 1.639 121.105 119.800 -0.558 0.000 2.198 95 Q HA 0.277 4.617 4.340 -0.000 0.000 0.209 95 Q C -1.139 174.315 176.000 -0.911 0.000 0.848 95 Q CA 0.244 55.581 55.803 -0.776 0.000 0.974 95 Q CB 0.436 28.625 28.738 -0.915 0.000 1.115 95 Q HN 0.792 nan 8.270 nan 0.000 0.494 96 F N -2.248 117.694 119.950 -0.014 0.000 2.575 96 F HA 0.288 4.815 4.527 -0.000 0.000 0.330 96 F C 0.544 176.511 175.800 0.277 0.000 1.056 96 F CA -1.223 56.810 58.000 0.055 0.000 0.964 96 F CB 0.908 39.834 39.000 -0.123 0.000 1.258 96 F HN -0.071 nan 8.300 nan 0.000 0.484 97 W N 0.427 122.010 121.300 0.472 0.000 2.443 97 W HA -0.036 4.624 4.660 -0.000 0.000 0.296 97 W C 0.135 176.762 176.519 0.180 0.000 1.202 97 W CA 0.907 58.478 57.345 0.376 0.000 1.312 97 W CB 0.403 30.107 29.460 0.407 0.000 1.120 97 W HN 0.519 nan 8.180 nan 0.000 0.536 98 D N -2.219 118.333 120.400 0.253 0.000 2.692 98 D HA 0.541 5.181 4.640 -0.000 0.000 0.290 98 D C -0.247 175.755 176.300 -0.496 0.000 1.281 98 D CA -0.108 53.646 54.000 -0.410 0.000 0.804 98 D CB 1.165 41.246 40.800 -1.198 0.000 1.331 98 D HN 0.082 nan 8.370 nan 0.000 0.432 99 G N -0.514 107.591 108.800 -1.159 0.000 2.356 99 G HA2 0.275 4.235 3.960 -0.000 0.000 0.300 99 G HA3 0.275 4.235 3.960 -0.000 0.000 0.300 99 G C -1.484 172.686 174.900 -1.216 0.000 1.331 99 G CA -1.152 43.313 45.100 -1.058 0.000 0.905 99 G HN 0.533 nan 8.290 nan 0.000 0.587 100 R N 0.518 120.685 120.500 -0.554 0.000 2.347 100 R HA 0.490 4.830 4.340 -0.000 0.000 0.304 100 R C 1.688 177.792 176.300 -0.327 0.000 1.072 100 R CA 0.283 56.204 56.100 -0.299 0.000 0.980 100 R CB 1.329 31.592 30.300 -0.062 0.000 0.986 100 R HN 0.867 nan 8.270 nan 0.000 0.448 101 A N 6.829 129.475 122.820 -0.289 0.000 1.894 101 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 101 A C -0.550 176.908 177.584 -0.210 0.000 1.237 101 A CA 1.692 53.573 52.037 -0.260 0.000 0.660 101 A CB -1.428 17.474 19.000 -0.163 0.000 0.835 101 A HN 0.613 nan 8.150 nan 0.000 0.461 102 P HA -0.154 nan 4.420 nan 0.000 0.214 102 P C 0.586 177.806 177.300 -0.132 0.000 1.163 102 P CA 1.643 64.676 63.100 -0.111 0.000 0.889 102 P CB -0.204 31.448 31.700 -0.079 0.000 0.790 103 D N -0.612 119.696 120.400 -0.153 0.000 2.106 103 D HA -0.156 4.484 4.640 -0.000 0.000 0.191 103 D C 2.029 178.191 176.300 -0.230 0.000 0.997 103 D CA 1.137 55.034 54.000 -0.171 0.000 0.834 103 D CB -1.060 39.635 40.800 -0.175 0.000 0.956 103 D HN 0.164 nan 8.370 nan 0.000 0.448 104 L N 0.496 121.531 121.223 -0.313 0.000 2.083 104 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 104 L C 2.523 179.291 176.870 -0.171 0.000 1.083 104 L CA 1.100 55.729 54.840 -0.352 0.000 0.752 104 L CB -0.507 41.167 42.059 -0.641 0.000 0.899 104 L HN -0.003 nan 8.230 nan 0.000 0.433 105 A N 0.175 122.905 122.820 -0.150 0.000 1.877 105 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 105 A C 2.468 180.029 177.584 -0.040 0.000 1.186 105 A CA 1.851 53.847 52.037 -0.067 0.000 0.620 105 A CB -0.645 18.315 19.000 -0.067 0.000 0.822 105 A HN 0.396 nan 8.150 nan 0.000 0.443 106 A N -1.441 121.342 122.820 -0.062 0.000 2.072 106 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 106 A C 2.056 179.614 177.584 -0.044 0.000 1.156 106 A CA 1.305 53.315 52.037 -0.044 0.000 0.701 106 A CB -0.385 18.585 19.000 -0.050 0.000 0.816 106 A HN 0.633 nan 8.150 nan 0.000 0.458 107 Q N -0.511 119.236 119.800 -0.089 0.000 2.167 107 Q HA 0.068 4.407 4.340 -0.000 0.000 0.202 107 Q C 1.060 177.078 176.000 0.029 0.000 0.970 107 Q CA 0.845 56.566 55.803 -0.136 0.000 0.855 107 Q CB -0.155 28.326 28.738 -0.428 0.000 0.911 107 Q HN 0.676 nan 8.270 nan 0.000 0.438 119 N N 0.479 119.158 118.700 -0.036 0.000 2.802 119 N HA 0.407 5.147 4.740 -0.000 0.000 0.254 119 N C 1.175 176.667 175.510 -0.030 0.000 1.012 119 N CA 1.677 54.711 53.050 -0.027 0.000 0.986 119 N CB -0.637 37.839 38.487 -0.018 0.000 1.711 119 N HN 1.976 nan 8.380 nan 0.000 0.581 120 N N 2.243 120.929 118.700 -0.024 0.000 2.348 120 N HA 0.324 5.064 4.740 -0.000 0.000 0.286 120 N C 0.750 176.226 175.510 -0.057 0.000 1.371 120 N CA 0.663 53.693 53.050 -0.033 0.000 0.966 120 N CB -1.488 36.988 38.487 -0.019 0.000 1.356 120 N HN 0.967 nan 8.380 nan 0.000 0.490 121 T N -0.256 114.250 114.554 -0.079 0.000 2.791 121 T HA 0.164 4.514 4.350 -0.000 0.000 0.323 121 T C -1.404 173.185 174.700 -0.184 0.000 1.082 121 T CA -0.698 61.326 62.100 -0.126 0.000 1.084 121 T CB 0.780 69.581 68.868 -0.113 0.000 0.992 121 T HN 0.265 nan 8.240 nan 0.000 0.547 122 P HA -0.062 nan 4.420 nan 0.000 0.219 122 P C 1.238 178.406 177.300 -0.221 0.000 1.146 122 P CA 0.923 63.755 63.100 -0.446 0.000 0.808 122 P CB 0.052 31.236 31.700 -0.859 0.000 0.779 123 E N -0.580 119.513 120.200 -0.178 0.000 2.031 123 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 123 E C 2.418 178.951 176.600 -0.111 0.000 0.994 123 E CA 1.909 58.236 56.400 -0.121 0.000 0.800 123 E CB -1.664 27.977 29.700 -0.097 0.000 0.752 123 E HN 0.300 nan 8.360 nan 0.000 0.447 124 N N 0.802 119.439 118.700 -0.106 0.000 2.084 124 N HA -0.126 4.614 4.740 -0.000 0.000 0.190 124 N C 1.997 177.434 175.510 -0.122 0.000 1.030 124 N CA 1.611 54.607 53.050 -0.090 0.000 0.849 124 N CB -0.858 37.587 38.487 -0.069 0.000 1.012 124 N HN 0.036 nan 8.380 nan 0.000 0.423 125 L N 0.321 121.441 121.223 -0.171 0.000 1.971 125 L HA -0.188 4.152 4.340 -0.000 0.000 0.215 125 L C 2.629 179.297 176.870 -0.337 0.000 1.072 125 L CA 1.458 56.113 54.840 -0.308 0.000 0.758 125 L CB -0.573 41.226 42.059 -0.434 0.000 0.889 125 L HN 0.332 nan 8.230 nan 0.000 0.433 126 V N 0.004 119.765 119.914 -0.254 0.000 2.332 126 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 126 V C 2.728 178.722 176.094 -0.166 0.000 1.055 126 V CA 1.868 64.042 62.300 -0.210 0.000 1.038 126 V CB -1.081 30.666 31.823 -0.127 0.000 0.651 126 V HN 0.524 nan 8.190 nan 0.000 0.450 127 A N -0.175 122.571 122.820 -0.123 0.000 1.858 127 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 127 A C 2.416 179.964 177.584 -0.060 0.000 1.190 127 A CA 2.628 54.618 52.037 -0.079 0.000 0.617 127 A CB -1.127 17.836 19.000 -0.061 0.000 0.827 127 A HN 0.497 nan 8.150 nan 0.000 0.443 128 T N -0.214 114.300 114.554 -0.067 0.000 2.607 128 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 128 T C 1.903 176.609 174.700 0.010 0.000 1.049 128 T CA 1.846 63.936 62.100 -0.017 0.000 1.162 128 T CB -0.608 68.246 68.868 -0.024 0.000 0.863 128 T HN 0.145 nan 8.240 nan 0.000 0.424 129 V N 1.369 121.228 119.914 -0.092 0.000 2.287 129 V HA -0.218 3.901 4.120 -0.000 0.000 0.248 129 V C 2.670 178.756 176.094 -0.014 0.000 1.053 129 V CA 2.006 64.229 62.300 -0.128 0.000 1.027 129 V CB -0.775 30.897 31.823 -0.251 0.000 0.646 129 V HN 0.380 nan 8.190 nan 0.000 0.447 130 Q N 1.268 121.012 119.800 -0.094 0.000 2.112 130 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 130 Q C 2.252 178.264 176.000 0.019 0.000 0.987 130 Q CA 2.436 58.202 55.803 -0.063 0.000 0.858 130 Q CB -0.597 28.093 28.738 -0.080 0.000 0.905 130 Q HN 0.803 nan 8.270 nan 0.000 0.420 131 S N -1.351 114.371 115.700 0.037 0.000 2.584 131 S HA -0.025 4.445 4.470 -0.000 0.000 0.240 131 S C 0.570 175.228 174.600 0.097 0.000 0.975 131 S CA 0.332 58.566 58.200 0.058 0.000 0.949 131 S CB -0.207 63.023 63.200 0.049 0.000 0.761 131 S HN 0.319 nan 8.310 nan 0.000 0.536 132 M N 1.181 120.877 119.600 0.160 0.000 2.125 132 M HA 0.378 4.858 4.480 -0.000 0.000 0.321 132 M C -2.311 174.081 176.300 0.153 0.000 0.983 132 M CA -2.310 53.093 55.300 0.171 0.000 0.934 132 M CB 2.123 34.880 32.600 0.262 0.000 1.542 132 M HN -0.147 nan 8.290 nan 0.000 0.424 133 P HA -0.173 nan 4.420 nan 0.000 0.216 133 P C 1.384 178.733 177.300 0.083 0.000 1.154 133 P CA 1.627 64.774 63.100 0.078 0.000 0.865 133 P CB 0.152 31.880 31.700 0.048 0.000 0.789 134 G N -1.882 106.940 108.800 0.037 0.000 2.418 134 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 134 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 134 G C 1.400 176.333 174.900 0.055 0.000 1.158 134 G CA 0.540 45.631 45.100 -0.015 0.000 0.771 134 G HN 0.288 nan 8.290 nan 0.000 0.545 135 Y N -0.053 120.348 120.300 0.168 0.000 2.373 135 Y HA -0.062 4.488 4.550 -0.000 0.000 0.293 135 Y C 2.978 179.091 175.900 0.356 0.000 1.129 135 Y CA 0.203 58.481 58.100 0.297 0.000 1.226 135 Y CB 0.208 38.845 38.460 0.296 0.000 1.000 135 Y HN 0.062 nan 8.280 nan 0.000 0.549 136 V N 0.706 120.828 119.914 0.347 0.000 2.307 136 V HA -0.299 3.821 4.120 -0.000 0.000 0.245 136 V C 2.155 178.400 176.094 0.252 0.000 1.045 136 V CA 2.338 64.781 62.300 0.238 0.000 1.024 136 V CB -0.625 31.280 31.823 0.136 0.000 0.651 136 V HN 0.535 nan 8.190 nan 0.000 0.449 137 E N 1.118 121.435 120.200 0.195 0.000 2.152 137 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 137 E C 2.069 178.773 176.600 0.173 0.000 0.983 137 E CA 1.206 57.697 56.400 0.152 0.000 0.818 137 E CB -0.338 29.417 29.700 0.092 0.000 0.758 137 E HN 0.474 nan 8.360 nan 0.000 0.467 138 A N 0.694 123.642 122.820 0.215 0.000 1.930 138 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 138 A C 1.796 179.491 177.584 0.185 0.000 1.175 138 A CA 0.948 53.085 52.037 0.167 0.000 0.627 138 A CB -0.735 18.374 19.000 0.181 0.000 0.815 138 A HN 0.331 nan 8.150 nan 0.000 0.443 139 F N -0.024 120.061 119.950 0.225 0.000 2.259 139 F HA 0.047 4.574 4.527 -0.000 0.000 0.298 139 F C 2.676 178.656 175.800 0.301 0.000 1.088 139 F CA 0.679 58.869 58.000 0.317 0.000 1.358 139 F CB -0.286 38.872 39.000 0.264 0.000 1.040 139 F HN 0.260 nan 8.300 nan 0.000 0.505 140 A N 0.289 123.325 122.820 0.360 0.000 1.877 140 A HA -0.214 4.105 4.320 -0.000 0.000 0.216 140 A C 2.242 179.920 177.584 0.158 0.000 1.186 140 A CA 1.762 53.941 52.037 0.237 0.000 0.620 140 A CB -0.576 18.524 19.000 0.167 0.000 0.822 140 A HN 0.314 nan 8.150 nan 0.000 0.443 141 K N -0.317 120.142 120.400 0.099 0.000 2.057 141 K HA -0.032 4.288 4.320 -0.000 0.000 0.207 141 K C 2.229 178.793 176.600 -0.060 0.000 1.049 141 K CA 1.134 57.432 56.287 0.019 0.000 0.931 141 K CB -0.315 32.184 32.500 -0.002 0.000 0.714 141 K HN 0.432 nan 8.250 nan 0.000 0.440 142 A N 0.801 123.550 122.820 -0.119 0.000 2.015 142 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 142 A C 0.430 177.565 177.584 -0.747 0.000 1.163 142 A CA 0.907 52.669 52.037 -0.459 0.000 0.646 142 A CB -0.079 18.563 19.000 -0.596 0.000 0.806 142 A HN 0.206 nan 8.150 nan 0.000 0.448 143 F N -1.379 118.590 119.950 0.032 0.000 2.676 143 F HA 0.377 4.904 4.527 -0.000 0.000 0.371 143 F C -2.159 173.677 175.800 0.060 0.000 1.141 143 F CA -2.035 55.997 58.000 0.054 0.000 1.133 143 F CB 1.450 40.506 39.000 0.095 0.000 1.376 143 F HN -0.057 nan 8.300 nan 0.000 0.491 144 P HA -0.060 nan 4.420 nan 0.000 0.208 144 P C 1.019 178.388 177.300 0.115 0.000 1.200 144 P CA 1.003 64.166 63.100 0.106 0.000 0.924 144 P CB 0.191 31.924 31.700 0.055 0.000 0.774 145 G N 1.402 110.265 108.800 0.106 0.000 2.690 145 G HA2 0.183 4.143 3.960 -0.000 0.000 0.294 145 G HA3 0.183 4.143 3.960 -0.000 0.000 0.294 145 G C -0.317 174.651 174.900 0.114 0.000 0.793 145 G CA 0.136 45.291 45.100 0.092 0.000 1.818 145 G HN 0.098 nan 8.290 nan 0.000 0.515 146 Q N 0.268 120.131 119.800 0.106 0.000 2.378 146 Q HA 0.367 4.707 4.340 -0.000 0.000 0.262 146 Q C 0.433 176.476 176.000 0.071 0.000 0.978 146 Q CA -0.559 55.302 55.803 0.096 0.000 0.918 146 Q CB 1.486 30.308 28.738 0.139 0.000 1.415 146 Q HN 0.483 nan 8.270 nan 0.000 0.409 147 K N -0.459 119.970 120.400 0.047 0.000 2.393 147 K HA 0.330 4.650 4.320 -0.000 0.000 0.193 147 K C 0.347 176.963 176.600 0.027 0.000 1.026 147 K CA 1.489 57.797 56.287 0.036 0.000 1.064 147 K CB 0.138 32.654 32.500 0.027 0.000 0.833 147 K HN 0.784 nan 8.250 nan 0.000 0.521 148 D N 0.617 121.030 120.400 0.022 0.000 3.117 148 D HA 0.257 4.896 4.640 -0.000 0.000 0.241 148 D C -1.789 174.503 176.300 -0.013 0.000 1.385 148 D CA 0.129 54.130 54.000 0.002 0.000 0.855 148 D CB 0.562 41.355 40.800 -0.012 0.000 1.498 148 D HN 0.047 nan 8.370 nan 0.000 0.584 149 P HA -0.013 nan 4.420 nan 0.000 0.221 149 P C 0.629 177.911 177.300 -0.030 0.000 1.145 149 P CA 0.447 63.568 63.100 0.036 0.000 0.795 149 P CB 0.376 32.221 31.700 0.241 0.000 0.775 150 I N 1.352 121.832 120.570 -0.151 0.000 2.243 150 I HA 0.071 4.241 4.170 -0.000 0.000 0.297 150 I C 0.533 176.503 176.117 -0.244 0.000 1.161 150 I CA -0.116 60.908 61.300 -0.459 0.000 1.298 150 I CB -0.161 37.510 38.000 -0.548 0.000 1.475 150 I HN 0.038 nan 8.210 nan 0.000 0.561 151 S N 4.278 119.896 115.700 -0.137 0.000 2.549 151 S HA 0.354 4.824 4.470 -0.000 0.000 0.280 151 S C 0.500 175.154 174.600 0.090 0.000 1.109 151 S CA -0.788 57.397 58.200 -0.025 0.000 0.905 151 S CB 1.693 64.878 63.200 -0.025 0.000 1.081 151 S HN 0.456 nan 8.310 nan 0.000 0.477 152 F N 2.157 122.099 119.950 -0.012 0.000 2.115 152 F HA -0.163 4.364 4.527 -0.000 0.000 0.300 152 F C 1.730 177.622 175.800 0.153 0.000 1.092 152 F CA 2.308 60.339 58.000 0.052 0.000 1.245 152 F CB -0.423 38.576 39.000 -0.002 0.000 0.995 152 F HN 0.732 nan 8.300 nan 0.000 0.481 153 D N 0.165 120.610 120.400 0.075 0.000 2.104 153 D HA -0.220 4.420 4.640 -0.000 0.000 0.194 153 D C 1.921 178.184 176.300 -0.061 0.000 0.994 153 D CA 1.522 55.509 54.000 -0.021 0.000 0.830 153 D CB -0.571 40.258 40.800 0.048 0.000 0.959 153 D HN 0.406 nan 8.370 nan 0.000 0.452 154 N N 0.275 118.924 118.700 -0.086 0.000 2.188 154 N HA -0.135 4.605 4.740 -0.000 0.000 0.184 154 N C 1.827 177.394 175.510 0.095 0.000 1.018 154 N CA 0.272 53.187 53.050 -0.224 0.000 0.858 154 N CB -0.488 37.500 38.487 -0.832 0.000 0.989 154 N HN 0.190 nan 8.380 nan 0.000 0.426 155 F N 2.077 122.060 119.950 0.056 0.000 2.095 155 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 155 F C 2.350 178.113 175.800 -0.062 0.000 1.104 155 F CA 1.666 59.727 58.000 0.103 0.000 1.232 155 F CB -0.262 38.761 39.000 0.039 0.000 0.987 155 F HN 0.026 nan 8.300 nan 0.000 0.475 156 A N 0.404 123.178 122.820 -0.077 0.000 1.873 156 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 156 A C 2.272 179.833 177.584 -0.038 0.000 1.186 156 A CA 1.690 53.656 52.037 -0.118 0.000 0.616 156 A CB -1.208 17.648 19.000 -0.240 0.000 0.823 156 A HN 0.482 nan 8.150 nan 0.000 0.442 157 L N -0.719 120.513 121.223 0.015 0.000 2.043 157 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 157 L C 3.111 180.020 176.870 0.066 0.000 1.075 157 L CA 1.213 56.102 54.840 0.081 0.000 0.752 157 L CB -0.577 41.602 42.059 0.200 0.000 0.891 157 L HN 0.474 nan 8.230 nan 0.000 0.432 158 A N -0.486 122.373 122.820 0.065 0.000 1.877 158 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 158 A C 2.309 179.860 177.584 -0.056 0.000 1.186 158 A CA 1.728 53.737 52.037 -0.047 0.000 0.620 158 A CB -0.809 18.082 19.000 -0.182 0.000 0.822 158 A HN 0.193 nan 8.150 nan 0.000 0.443 159 V N -0.108 119.755 119.914 -0.084 0.000 2.407 159 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 159 V C 2.578 178.723 176.094 0.084 0.000 1.055 159 V CA 2.392 64.712 62.300 0.034 0.000 1.049 159 V CB -0.707 31.134 31.823 0.030 0.000 0.662 159 V HN 0.617 nan 8.190 nan 0.000 0.455 160 E N 0.493 120.706 120.200 0.022 0.000 2.051 160 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 160 E C 2.248 178.821 176.600 -0.045 0.000 0.991 160 E CA 1.636 58.027 56.400 -0.014 0.000 0.799 160 E CB -0.635 29.055 29.700 -0.016 0.000 0.748 160 E HN 0.517 nan 8.360 nan 0.000 0.449 161 A N 0.188 122.993 122.820 -0.025 0.000 1.873 161 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 161 A C 2.244 179.803 177.584 -0.042 0.000 1.193 161 A CA 1.845 53.856 52.037 -0.043 0.000 0.629 161 A CB -1.160 17.812 19.000 -0.047 0.000 0.826 161 A HN 0.448 nan 8.150 nan 0.000 0.447 162 F N 1.178 121.046 119.950 -0.136 0.000 2.095 162 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 162 F C 2.219 177.881 175.800 -0.229 0.000 1.104 162 F CA 2.204 60.105 58.000 -0.165 0.000 1.232 162 F CB -0.511 38.399 39.000 -0.150 0.000 0.987 162 F HN 0.409 nan 8.300 nan 0.000 0.475 163 E N 0.222 120.196 120.200 -0.376 0.000 2.171 163 E HA -0.235 4.115 4.350 -0.000 0.000 0.197 163 E C 2.240 178.552 176.600 -0.479 0.000 0.997 163 E CA 1.018 57.116 56.400 -0.504 0.000 0.810 163 E CB -0.501 29.052 29.700 -0.244 0.000 0.738 163 E HN 0.514 nan 8.360 nan 0.000 0.467 164 A N 0.756 123.361 122.820 -0.359 0.000 2.172 164 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 164 A C 2.170 179.564 177.584 -0.317 0.000 1.154 164 A CA 1.222 53.062 52.037 -0.328 0.000 0.701 164 A CB -0.345 18.527 19.000 -0.213 0.000 0.789 164 A HN 0.109 nan 8.150 nan 0.000 0.465 165 T N -0.034 114.277 114.554 -0.404 0.000 3.014 165 T HA 0.159 4.509 4.350 -0.000 0.000 0.263 165 T C 0.730 175.193 174.700 -0.394 0.000 1.078 165 T CA 0.330 62.209 62.100 -0.369 0.000 1.135 165 T CB -0.244 68.368 68.868 -0.426 0.000 0.895 165 T HN 0.350 nan 8.240 nan 0.000 0.480 166 L N 3.626 124.534 121.223 -0.524 0.000 2.480 166 L HA 0.428 4.768 4.340 -0.000 0.000 0.243 166 L C -0.085 176.629 176.870 -0.259 0.000 1.315 166 L CA -0.302 54.295 54.840 -0.405 0.000 1.231 166 L CB -0.895 40.861 42.059 -0.505 0.000 1.444 166 L HN 0.303 nan 8.230 nan 0.000 0.409 167 I N -1.704 118.764 120.570 -0.169 0.000 2.740 167 I HA 0.586 4.756 4.170 -0.000 0.000 0.303 167 I C 0.239 176.347 176.117 -0.016 0.000 1.044 167 I CA -0.545 60.719 61.300 -0.060 0.000 1.064 167 I CB 2.383 40.398 38.000 0.025 0.000 1.249 167 I HN 0.123 nan 8.210 nan 0.000 0.433 168 T N 1.718 116.287 114.554 0.026 0.000 3.390 168 T HA 0.488 4.838 4.350 -0.000 0.000 0.351 168 T C -2.311 172.406 174.700 0.028 0.000 1.759 168 T CA -1.613 60.497 62.100 0.017 0.000 1.561 168 T CB 0.098 68.970 68.868 0.007 0.000 1.011 168 T HN 0.515 nan 8.240 nan 0.000 0.689 169 P HA 0.183 nan 4.420 nan 0.000 0.277 169 P C 0.415 177.720 177.300 0.009 0.000 1.276 169 P CA -0.133 62.977 63.100 0.018 0.000 0.788 169 P CB 0.480 32.187 31.700 0.012 0.000 1.114 170 N N -1.682 117.019 118.700 0.002 0.000 2.776 170 N HA -0.130 4.610 4.740 -0.000 0.000 0.249 170 N C -0.213 175.306 175.510 0.015 0.000 1.111 170 N CA 0.215 53.267 53.050 0.003 0.000 0.711 170 N CB -0.943 37.544 38.487 0.001 0.000 1.065 170 N HN 0.596 nan 8.380 nan 0.000 0.556 171 S N -0.942 114.773 115.700 0.025 0.000 2.589 171 S HA 0.400 4.870 4.470 -0.000 0.000 0.265 171 S C 1.708 176.346 174.600 0.063 0.000 1.342 171 S CA 0.479 58.701 58.200 0.037 0.000 1.005 171 S CB 1.536 64.764 63.200 0.046 0.000 0.909 171 S HN 0.503 nan 8.310 nan 0.000 0.555 172 K N 0.808 121.247 120.400 0.066 0.000 2.103 172 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 172 K C 1.747 178.461 176.600 0.189 0.000 1.048 172 K CA 1.913 58.258 56.287 0.096 0.000 0.930 172 K CB -1.422 31.115 32.500 0.061 0.000 0.716 172 K HN 0.732 nan 8.250 nan 0.000 0.444 173 F N 2.583 122.545 119.950 0.019 0.000 2.075 173 F HA -0.108 4.419 4.527 -0.000 0.000 0.297 173 F C 1.642 177.549 175.800 0.178 0.000 1.113 173 F CA 1.963 60.016 58.000 0.088 0.000 1.218 173 F CB -0.299 38.680 39.000 -0.034 0.000 0.984 173 F HN 0.330 nan 8.300 nan 0.000 0.472 174 D N 0.114 120.486 120.400 -0.047 0.000 2.123 174 D HA -0.212 4.428 4.640 -0.000 0.000 0.196 174 D C 2.278 178.515 176.300 -0.106 0.000 0.992 174 D CA 1.514 55.412 54.000 -0.169 0.000 0.833 174 D CB -0.579 40.185 40.800 -0.060 0.000 0.954 174 D HN 0.487 nan 8.370 nan 0.000 0.455 175 Q N -0.837 118.959 119.800 -0.007 0.000 2.061 175 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 175 Q C 2.140 178.149 176.000 0.015 0.000 0.984 175 Q CA 1.365 57.172 55.803 0.008 0.000 0.846 175 Q CB -0.292 28.477 28.738 0.050 0.000 0.902 175 Q HN 0.431 nan 8.270 nan 0.000 0.421 176 W N 1.231 122.477 121.300 -0.091 0.000 2.358 176 W HA -0.153 4.507 4.660 -0.000 0.000 0.303 176 W C 1.639 178.078 176.519 -0.134 0.000 1.208 176 W CA 1.050 58.351 57.345 -0.072 0.000 1.274 176 W CB -0.266 29.193 29.460 -0.002 0.000 1.138 176 W HN 0.036 nan 8.180 nan 0.000 0.515 177 L N 0.389 121.492 121.223 -0.199 0.000 2.127 177 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 177 L C 2.180 178.812 176.870 -0.396 0.000 1.089 177 L CA 1.338 55.915 54.840 -0.438 0.000 0.757 177 L CB -0.475 41.331 42.059 -0.421 0.000 0.899 177 L HN 0.100 nan 8.230 nan 0.000 0.434 178 M N -1.484 117.949 119.600 -0.278 0.000 2.628 178 M HA 0.071 4.550 4.480 -0.000 0.000 0.232 178 M C 1.227 177.393 176.300 -0.224 0.000 1.128 178 M CA 0.826 55.999 55.300 -0.210 0.000 1.040 178 M CB 0.348 32.866 32.600 -0.136 0.000 1.608 178 M HN 0.415 nan 8.290 nan 0.000 0.507 179 G N 0.079 108.680 108.800 -0.331 0.000 2.229 179 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.189 179 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.189 179 G C 0.281 175.045 174.900 -0.226 0.000 1.000 179 G CA -0.177 44.746 45.100 -0.295 0.000 0.663 179 G HN 0.556 nan 8.290 nan 0.000 0.493 180 A N 1.130 123.852 122.820 -0.163 0.000 2.899 180 A HA 0.500 4.820 4.320 -0.000 0.000 0.287 180 A C 1.341 178.959 177.584 0.058 0.000 1.715 180 A CA 0.962 52.980 52.037 -0.031 0.000 1.393 180 A CB -0.286 18.734 19.000 0.033 0.000 1.070 180 A HN 0.204 nan 8.150 nan 0.000 0.587 181 D N 2.343 122.753 120.400 0.017 0.000 2.220 181 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 181 D C 1.805 178.268 176.300 0.271 0.000 1.001 181 D CA 2.129 56.222 54.000 0.156 0.000 0.875 181 D CB 0.022 40.870 40.800 0.081 0.000 0.921 181 D HN 0.612 nan 8.370 nan 0.000 0.454 182 G N -0.727 108.174 108.800 0.168 0.000 3.189 182 G HA2 0.245 4.205 3.960 -0.000 0.000 0.225 182 G HA3 0.245 4.205 3.960 -0.000 0.000 0.225 182 G C 1.415 176.398 174.900 0.138 0.000 1.159 182 G CA 0.502 45.684 45.100 0.137 0.000 0.763 182 G HN 0.305 nan 8.290 nan 0.000 0.549 183 A N 0.247 123.187 122.820 0.201 0.000 2.015 183 A HA 0.382 4.702 4.320 -0.000 0.000 0.219 183 A C 1.308 178.971 177.584 0.132 0.000 1.163 183 A CA 0.665 52.801 52.037 0.166 0.000 0.646 183 A CB -0.113 19.011 19.000 0.206 0.000 0.806 183 A HN 0.399 nan 8.150 nan 0.000 0.448 184 M N -0.501 119.171 119.600 0.120 0.000 2.664 184 M HA 0.381 4.861 4.480 -0.000 0.000 0.314 184 M C 0.225 176.512 176.300 -0.020 0.000 1.200 184 M CA -0.577 54.718 55.300 -0.009 0.000 0.916 184 M CB 2.122 34.606 32.600 -0.193 0.000 1.717 184 M HN 0.244 nan 8.290 nan 0.000 0.470 185 S N 0.567 116.243 115.700 -0.040 0.000 2.707 185 S HA 0.605 5.075 4.470 -0.000 0.000 0.276 185 S C 0.910 175.479 174.600 -0.053 0.000 1.179 185 S CA -0.184 57.999 58.200 -0.028 0.000 0.992 185 S CB 1.355 64.542 63.200 -0.022 0.000 1.030 185 S HN 0.763 nan 8.310 nan 0.000 0.554 186 A N 0.991 123.792 122.820 -0.031 0.000 1.865 186 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 186 A C 1.875 179.427 177.584 -0.054 0.000 1.191 186 A CA 1.877 53.892 52.037 -0.036 0.000 0.623 186 A CB -1.377 17.614 19.000 -0.016 0.000 0.826 186 A HN 0.920 nan 8.150 nan 0.000 0.444 187 D N -0.308 120.067 120.400 -0.042 0.000 2.116 187 D HA -0.169 4.471 4.640 -0.000 0.000 0.193 187 D C 1.925 178.190 176.300 -0.059 0.000 0.998 187 D CA 1.679 55.654 54.000 -0.042 0.000 0.836 187 D CB -0.430 40.353 40.800 -0.028 0.000 0.951 187 D HN 0.662 nan 8.370 nan 0.000 0.449 188 E N 0.574 120.735 120.200 -0.064 0.000 2.160 188 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 188 E C 2.029 178.542 176.600 -0.146 0.000 0.991 188 E CA 0.848 57.210 56.400 -0.063 0.000 0.810 188 E CB 0.005 29.670 29.700 -0.059 0.000 0.742 188 E HN 0.320 nan 8.360 nan 0.000 0.466 189 K N 0.434 120.707 120.400 -0.212 0.000 2.167 189 K HA 0.020 4.340 4.320 -0.000 0.000 0.203 189 K C 2.204 178.658 176.600 -0.243 0.000 1.052 189 K CA 0.781 56.873 56.287 -0.326 0.000 0.956 189 K CB 0.003 32.325 32.500 -0.297 0.000 0.735 189 K HN 0.023 nan 8.250 nan 0.000 0.451 190 A N 1.465 124.196 122.820 -0.149 0.000 1.933 190 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 190 A C 2.397 179.906 177.584 -0.125 0.000 1.175 190 A CA 1.877 53.851 52.037 -0.106 0.000 0.628 190 A CB -1.124 17.838 19.000 -0.063 0.000 0.814 190 A HN 0.410 nan 8.150 nan 0.000 0.444 191 G N -0.436 108.284 108.800 -0.133 0.000 2.422 191 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.218 191 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.218 191 G C 1.442 176.133 174.900 -0.348 0.000 1.140 191 G CA 1.119 46.153 45.100 -0.111 0.000 0.775 191 G HN 0.472 nan 8.290 nan 0.000 0.545 192 L N 0.616 121.447 121.223 -0.654 0.000 2.027 192 L HA 0.162 4.502 4.340 -0.000 0.000 0.206 192 L C 2.575 179.194 176.870 -0.419 0.000 1.074 192 L CA 2.164 56.351 54.840 -1.089 0.000 0.745 192 L CB -0.569 40.919 42.059 -0.951 0.000 0.898 192 L HN 0.142 nan 8.230 nan 0.000 0.433 193 K N -0.406 119.853 120.400 -0.236 0.000 2.026 193 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 193 K C 2.210 178.779 176.600 -0.050 0.000 1.048 193 K CA 2.410 58.643 56.287 -0.090 0.000 0.929 193 K CB -1.004 31.459 32.500 -0.062 0.000 0.713 193 K HN 0.319 nan 8.250 nan 0.000 0.439 194 L N 0.017 121.207 121.223 -0.055 0.000 2.046 194 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 194 L C 2.539 179.416 176.870 0.011 0.000 1.077 194 L CA 2.440 57.268 54.840 -0.020 0.000 0.747 194 L CB -1.700 40.352 42.059 -0.012 0.000 0.896 194 L HN 0.395 nan 8.230 nan 0.000 0.432 195 F N -0.055 119.806 119.950 -0.148 0.000 2.043 195 F HA -0.237 4.290 4.527 -0.000 0.000 0.297 195 F C 2.259 178.041 175.800 -0.030 0.000 1.121 195 F CA 2.434 60.377 58.000 -0.094 0.000 1.199 195 F CB -0.179 38.697 39.000 -0.206 0.000 0.968 195 F HN 0.236 nan 8.300 nan 0.000 0.478 196 I N 0.143 120.790 120.570 0.128 0.000 2.113 196 I HA -0.326 3.844 4.170 -0.000 0.000 0.238 196 I C 2.141 178.239 176.117 -0.031 0.000 1.070 196 I CA 1.719 63.063 61.300 0.074 0.000 1.332 196 I CB -0.756 37.322 38.000 0.130 0.000 1.044 196 I HN 0.112 nan 8.210 nan 0.000 0.402 197 D N 0.576 120.964 120.400 -0.020 0.000 2.123 197 D HA -0.160 4.480 4.640 -0.000 0.000 0.196 197 D C 2.130 178.395 176.300 -0.059 0.000 0.992 197 D CA 1.691 55.671 54.000 -0.033 0.000 0.833 197 D CB -0.524 40.263 40.800 -0.022 0.000 0.954 197 D HN 0.304 nan 8.370 nan 0.000 0.455 198 T N -0.996 113.511 114.554 -0.078 0.000 3.007 198 T HA 0.167 4.517 4.350 -0.000 0.000 0.270 198 T C 1.561 176.184 174.700 -0.128 0.000 1.107 198 T CA 1.191 63.235 62.100 -0.093 0.000 1.118 198 T CB 0.147 68.961 68.868 -0.090 0.000 0.889 198 T HN 0.398 nan 8.240 nan 0.000 0.506 199 G N -0.236 108.466 108.800 -0.163 0.000 2.184 199 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.206 199 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.206 199 G C 1.240 175.986 174.900 -0.255 0.000 0.995 199 G CA -0.016 44.980 45.100 -0.174 0.000 0.651 199 G HN 0.556 nan 8.290 nan 0.000 0.511 200 C N 1.411 120.460 119.300 -0.419 0.000 2.413 200 C HA 0.232 4.692 4.460 -0.000 0.000 0.277 200 C C 3.333 178.039 174.990 -0.474 0.000 1.228 200 C CA 1.751 60.403 59.018 -0.611 0.000 1.731 200 C CB -1.417 25.419 27.740 -1.507 0.000 2.042 200 C HN 1.189 nan 8.230 nan 0.000 0.468 201 A N 0.944 123.488 122.820 -0.459 0.000 2.076 201 A HA 0.087 4.407 4.320 -0.000 0.000 0.220 201 A C 2.334 179.909 177.584 -0.016 0.000 1.160 201 A CA 1.946 54.002 52.037 0.031 0.000 0.653 201 A CB -0.758 18.334 19.000 0.153 0.000 0.801 201 A HN 0.703 nan 8.150 nan 0.000 0.455 202 A N -1.666 121.092 122.820 -0.104 0.000 2.019 202 A HA -0.114 4.205 4.320 -0.000 0.000 0.219 202 A C 2.038 179.571 177.584 -0.084 0.000 1.164 202 A CA 1.806 53.792 52.037 -0.086 0.000 0.644 202 A CB -0.702 18.234 19.000 -0.107 0.000 0.805 202 A HN 0.640 nan 8.150 nan 0.000 0.449 203 C N -2.594 116.597 119.300 -0.182 0.000 3.123 203 C HA 0.270 4.730 4.460 -0.000 0.000 0.399 203 C C 0.687 175.515 174.990 -0.270 0.000 1.320 203 C CA -0.501 58.339 59.018 -0.297 0.000 1.949 203 C CB -0.551 26.717 27.740 -0.787 0.000 2.692 203 C HN 0.579 nan 8.230 nan 0.000 0.623 204 H N 3.064 122.186 119.070 0.087 0.000 2.482 204 H HA 0.307 4.863 4.556 -0.000 0.000 0.231 204 H C -0.525 175.058 175.328 0.424 0.000 1.612 204 H CA 0.219 56.414 56.048 0.246 0.000 1.279 204 H CB -0.117 29.855 29.762 0.349 0.000 1.562 204 H HN 0.683 nan 8.280 nan 0.000 0.553 205 N N -0.394 118.522 118.700 0.360 0.000 3.167 205 N HA 0.590 5.330 4.740 -0.000 0.000 0.323 205 N C 0.422 176.114 175.510 0.303 0.000 1.478 205 N CA -0.186 53.093 53.050 0.382 0.000 0.753 205 N CB 1.200 39.732 38.487 0.075 0.000 1.721 205 N HN 0.386 nan 8.380 nan 0.000 0.618 206 G N -0.800 108.143 108.800 0.238 0.000 2.660 206 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.247 206 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.247 206 G C 0.217 175.261 174.900 0.241 0.000 1.328 206 G CA -0.181 45.022 45.100 0.171 0.000 0.884 206 G HN 0.971 nan 8.290 nan 0.000 0.531 207 I N -0.042 120.595 120.570 0.112 0.000 2.493 207 I HA -0.062 4.108 4.170 -0.000 0.000 0.254 207 I C 1.685 177.862 176.117 0.100 0.000 1.160 207 I CA 1.675 63.007 61.300 0.052 0.000 1.445 207 I CB -0.078 37.824 38.000 -0.163 0.000 1.086 207 I HN 0.421 nan 8.210 nan 0.000 0.433 208 N N 1.075 119.852 118.700 0.128 0.000 2.230 208 N HA 0.127 4.866 4.740 -0.000 0.000 0.202 208 N C 0.096 175.681 175.510 0.125 0.000 1.119 208 N CA -0.028 53.094 53.050 0.121 0.000 0.851 208 N CB 0.319 38.875 38.487 0.115 0.000 0.990 208 N HN 0.158 nan 8.380 nan 0.000 0.497 209 I N -0.108 120.597 120.570 0.225 0.000 6.833 209 I HA -0.233 3.937 4.170 -0.000 0.000 0.126 209 I C 0.764 177.058 176.117 0.295 0.000 1.810 209 I CA 1.028 62.497 61.300 0.281 0.000 2.119 209 I CB -1.836 36.146 38.000 -0.030 0.000 3.512 209 I HN 0.321 nan 8.210 nan 0.000 0.194 210 G N -0.208 108.750 108.800 0.263 0.000 2.347 210 G HA2 0.597 4.557 3.960 -0.000 0.000 0.341 210 G HA3 0.597 4.557 3.960 -0.000 0.000 0.341 210 G C 0.463 175.410 174.900 0.079 0.000 1.287 210 G CA -0.030 45.198 45.100 0.213 0.000 0.984 210 G HN 1.729 nan 8.290 nan 0.000 0.526 211 G N -1.070 107.724 108.800 -0.010 0.000 2.160 211 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.244 211 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.244 211 G C 0.655 175.473 174.900 -0.137 0.000 1.022 211 G CA 1.230 46.264 45.100 -0.111 0.000 0.741 211 G HN 1.260 nan 8.290 nan 0.000 0.508 212 N N -0.300 118.325 118.700 -0.125 0.000 2.503 212 N HA 0.261 5.001 4.740 -0.000 0.000 0.210 212 N C 1.137 176.536 175.510 -0.184 0.000 1.077 212 N CA 1.096 54.079 53.050 -0.111 0.000 0.855 212 N CB 0.851 39.324 38.487 -0.023 0.000 1.323 212 N HN 0.808 nan 8.380 nan 0.000 0.452 213 G N -0.522 108.143 108.800 -0.225 0.000 2.694 213 G HA2 0.615 4.575 3.960 -0.000 0.000 0.290 213 G HA3 0.615 4.575 3.960 -0.000 0.000 0.290 213 G C -1.890 172.698 174.900 -0.519 0.000 1.386 213 G CA -0.384 44.518 45.100 -0.330 0.000 0.872 213 G HN -0.059 nan 8.290 nan 0.000 0.475 214 Y N -1.024 119.054 120.300 -0.371 0.000 2.528 214 Y HA 0.731 5.281 4.550 -0.000 0.000 0.335 214 Y C -0.711 174.810 175.900 -0.632 0.000 1.093 214 Y CA -0.665 57.285 58.100 -0.250 0.000 1.134 214 Y CB 2.147 40.517 38.460 -0.150 0.000 1.253 214 Y HN 0.474 nan 8.280 nan 0.000 0.478 215 Y N 0.576 121.064 120.300 0.314 0.000 2.534 215 Y HA 0.342 4.892 4.550 -0.000 0.000 0.345 215 Y C -2.334 173.711 175.900 0.242 0.000 1.031 215 Y CA -2.957 55.322 58.100 0.298 0.000 1.022 215 Y CB 2.037 40.750 38.460 0.422 0.000 1.292 215 Y HN 0.334 nan 8.280 nan 0.000 0.459 216 P HA 0.089 nan 4.420 nan 0.000 0.249 216 P C -1.100 175.851 177.300 -0.582 0.000 1.686 216 P CA 0.763 63.732 63.100 -0.218 0.000 0.873 216 P CB -0.780 30.712 31.700 -0.348 0.000 1.828 217 F N -0.353 119.771 119.950 0.290 0.000 2.599 217 F HA 0.732 5.259 4.527 -0.000 0.000 0.311 217 F C 0.617 176.453 175.800 0.060 0.000 1.076 217 F CA -0.723 57.374 58.000 0.163 0.000 0.937 217 F CB 2.324 41.397 39.000 0.121 0.000 1.282 217 F HN -0.081 nan 8.300 nan 0.000 0.460 218 G N 0.482 109.308 108.800 0.042 0.000 2.733 218 G HA2 0.559 4.519 3.960 -0.000 0.000 0.297 218 G HA3 0.559 4.519 3.960 -0.000 0.000 0.297 218 G C -2.153 172.630 174.900 -0.193 0.000 1.422 218 G CA -0.760 44.112 45.100 -0.380 0.000 0.942 218 G HN 0.493 nan 8.290 nan 0.000 0.510 219 V N 1.054 120.830 119.914 -0.232 0.000 2.498 219 V HA 0.580 4.700 4.120 -0.000 0.000 0.279 219 V C 0.531 176.587 176.094 -0.064 0.000 1.048 219 V CA -0.379 61.750 62.300 -0.286 0.000 0.967 219 V CB 1.078 32.376 31.823 -0.876 0.000 0.988 219 V HN 0.944 nan 8.190 nan 0.000 0.473 220 V N 1.762 121.684 119.914 0.013 0.000 2.735 220 V HA 0.638 4.758 4.120 -0.000 0.000 0.310 220 V C -0.389 175.789 176.094 0.141 0.000 1.061 220 V CA -0.904 61.442 62.300 0.076 0.000 0.913 220 V CB 1.863 33.709 31.823 0.038 0.000 1.005 220 V HN 0.874 nan 8.190 nan 0.000 0.428 221 E N 2.721 122.988 120.200 0.113 0.000 2.229 221 E HA 0.288 4.638 4.350 -0.000 0.000 0.283 221 E C -0.610 175.913 176.600 -0.129 0.000 1.030 221 E CA -0.813 55.539 56.400 -0.081 0.000 0.836 221 E CB 0.818 30.499 29.700 -0.033 0.000 1.068 221 E HN 0.590 nan 8.360 nan 0.000 0.401 222 K N 4.941 125.211 120.400 -0.216 0.000 2.368 222 K HA 0.214 4.534 4.320 -0.000 0.000 0.282 222 K C -2.410 174.119 176.600 -0.120 0.000 1.035 222 K CA -2.301 53.907 56.287 -0.132 0.000 0.973 222 K CB 0.364 32.785 32.500 -0.130 0.000 0.957 222 K HN 0.410 nan 8.250 nan 0.000 0.474 223 P HA -0.084 nan 4.420 nan 0.000 0.257 223 P C 0.577 177.839 177.300 -0.062 0.000 1.162 223 P CA 1.055 64.122 63.100 -0.054 0.000 0.762 223 P CB 0.207 31.887 31.700 -0.034 0.000 0.753 224 G N 3.263 112.027 108.800 -0.061 0.000 2.136 224 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.242 224 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.242 224 G C 1.020 175.871 174.900 -0.082 0.000 0.989 224 G CA 0.166 45.232 45.100 -0.056 0.000 0.682 224 G HN 0.683 nan 8.290 nan 0.000 0.522 225 A N -0.107 122.631 122.820 -0.137 0.000 2.172 225 A HA 0.249 4.569 4.320 -0.000 0.000 0.216 225 A C 1.614 179.114 177.584 -0.140 0.000 1.154 225 A CA 1.615 53.527 52.037 -0.208 0.000 0.701 225 A CB -0.186 18.545 19.000 -0.447 0.000 0.789 225 A HN 0.623 nan 8.150 nan 0.000 0.465 226 E N -0.376 119.779 120.200 -0.076 0.000 2.321 226 E HA 0.124 4.474 4.350 -0.000 0.000 0.189 226 E C 0.738 177.332 176.600 -0.010 0.000 1.125 226 E CA -0.170 56.220 56.400 -0.017 0.000 1.005 226 E CB 0.120 29.824 29.700 0.006 0.000 1.140 226 E HN 0.427 nan 8.360 nan 0.000 0.457 227 V N 0.110 120.010 119.914 -0.023 0.000 2.743 227 V HA 0.053 4.173 4.120 -0.000 0.000 0.237 227 V C 0.827 176.918 176.094 -0.005 0.000 1.113 227 V CA 0.406 62.698 62.300 -0.014 0.000 1.141 227 V CB 0.276 32.087 31.823 -0.020 0.000 0.873 227 V HN 0.204 nan 8.190 nan 0.000 0.486 228 L N 2.422 123.639 121.223 -0.009 0.000 2.399 228 L HA 0.366 4.706 4.340 -0.000 0.000 0.266 228 L C -1.918 174.971 176.870 0.032 0.000 1.114 228 L CA -1.411 53.432 54.840 0.006 0.000 0.804 228 L CB 0.317 42.374 42.059 -0.002 0.000 1.146 228 L HN 0.174 nan 8.230 nan 0.000 0.451 229 P HA 0.275 nan 4.420 nan 0.000 0.332 229 P C -0.411 176.946 177.300 0.094 0.000 1.298 229 P CA -0.442 62.699 63.100 0.068 0.000 0.755 229 P CB 0.406 32.136 31.700 0.050 0.000 1.465 235 R N -0.599 119.866 120.500 -0.057 0.000 2.066 235 R HA 0.306 4.646 4.340 -0.000 0.000 0.224 235 R C 0.028 175.983 176.300 -0.576 0.000 1.122 235 R CA 0.786 56.712 56.100 -0.289 0.000 0.974 235 R CB 0.005 30.176 30.300 -0.214 0.000 0.871 235 R HN 0.311 nan 8.270 nan 0.000 0.435 236 F N -0.692 119.269 119.950 0.019 0.000 2.593 236 F HA 0.622 5.149 4.527 -0.000 0.000 0.320 236 F C -0.086 175.694 175.800 -0.034 0.000 1.060 236 F CA -1.169 56.825 58.000 -0.010 0.000 0.940 236 F CB 1.747 40.741 39.000 -0.010 0.000 1.268 236 F HN -0.085 nan 8.300 nan 0.000 0.475 237 A N 0.500 123.396 122.820 0.127 0.000 2.515 237 A HA 0.821 5.141 4.320 -0.000 0.000 0.296 237 A C -1.775 175.809 177.584 0.000 0.000 1.094 237 A CA -0.752 51.313 52.037 0.048 0.000 0.718 237 A CB 1.649 20.667 19.000 0.029 0.000 1.307 237 A HN 0.509 nan 8.150 nan 0.000 0.408 238 V N 2.637 122.545 119.914 -0.010 0.000 2.259 238 V HA 0.411 4.531 4.120 -0.000 0.000 0.267 238 V C 0.564 176.709 176.094 0.084 0.000 1.051 238 V CA 0.069 62.362 62.300 -0.013 0.000 0.830 238 V CB 0.290 32.082 31.823 -0.051 0.000 1.080 238 V HN 1.066 nan 8.190 nan 0.000 0.467 239 T N 1.978 116.585 114.554 0.088 0.000 2.902 239 T HA 0.806 5.156 4.350 -0.000 0.000 0.280 239 T C 0.347 175.155 174.700 0.179 0.000 0.992 239 T CA -0.260 61.914 62.100 0.123 0.000 1.015 239 T CB 1.856 70.762 68.868 0.063 0.000 1.044 239 T HN 0.754 nan 8.240 nan 0.000 0.520 240 A N 1.833 124.732 122.820 0.131 0.000 2.386 240 A HA 0.556 4.876 4.320 -0.000 0.000 0.248 240 A C 1.060 178.639 177.584 -0.009 0.000 1.082 240 A CA -0.539 51.481 52.037 -0.028 0.000 0.789 240 A CB -0.577 18.377 19.000 -0.076 0.000 1.025 240 A HN 1.123 nan 8.150 nan 0.000 0.490 241 T N -0.372 114.164 114.554 -0.029 0.000 2.856 241 T HA 0.401 4.751 4.350 -0.000 0.000 0.306 241 T C 1.455 176.185 174.700 0.049 0.000 1.062 241 T CA -0.043 62.119 62.100 0.104 0.000 1.083 241 T CB 0.833 69.841 68.868 0.234 0.000 0.984 241 T HN 1.220 nan 8.240 nan 0.000 0.542 242 A N 0.821 123.670 122.820 0.047 0.000 1.948 242 A HA -0.060 4.260 4.320 -0.000 0.000 0.220 242 A C 1.081 178.671 177.584 0.011 0.000 1.177 242 A CA 1.467 53.508 52.037 0.006 0.000 0.636 242 A CB -0.444 18.535 19.000 -0.035 0.000 0.815 242 A HN 0.884 nan 8.150 nan 0.000 0.449 243 D N -1.177 119.248 120.400 0.042 0.000 2.696 243 D HA 0.188 4.828 4.640 -0.000 0.000 0.251 243 D C -0.405 175.926 176.300 0.051 0.000 1.188 243 D CA -0.301 53.724 54.000 0.042 0.000 0.876 243 D CB 1.173 42.007 40.800 0.058 0.000 1.334 243 D HN 0.302 nan 8.370 nan 0.000 0.540 244 D N 2.122 122.519 120.400 -0.004 0.000 2.403 244 D HA -0.145 4.495 4.640 -0.000 0.000 0.227 244 D C 0.610 176.899 176.300 -0.019 0.000 0.995 244 D CA 0.603 54.578 54.000 -0.042 0.000 0.928 244 D CB 0.351 41.108 40.800 -0.073 0.000 0.887 244 D HN 0.389 nan 8.370 nan 0.000 0.529 245 E N -0.918 119.289 120.200 0.012 0.000 2.318 245 E HA 0.019 4.369 4.350 -0.000 0.000 0.193 245 E C -0.250 176.341 176.600 -0.014 0.000 0.998 245 E CA 0.036 56.431 56.400 -0.008 0.000 0.859 245 E CB -0.019 29.683 29.700 0.004 0.000 0.812 245 E HN 0.324 nan 8.360 nan 0.000 0.492 246 Y N 1.123 121.387 120.300 -0.061 0.000 2.327 246 Y HA 0.321 4.871 4.550 -0.000 0.000 0.336 246 Y C -0.253 175.620 175.900 -0.044 0.000 1.035 246 Y CA -1.097 56.960 58.100 -0.072 0.000 1.165 246 Y CB 0.629 39.062 38.460 -0.045 0.000 1.181 246 Y HN -0.234 nan 8.280 nan 0.000 0.494 247 V N 2.733 122.382 119.914 -0.442 0.000 3.040 247 V HA 0.641 4.761 4.120 -0.000 0.000 0.312 247 V C -1.389 174.592 176.094 -0.187 0.000 1.115 247 V CA -1.327 60.897 62.300 -0.126 0.000 0.998 247 V CB 2.081 33.866 31.823 -0.063 0.000 1.042 247 V HN 0.580 nan 8.190 nan 0.000 0.433 248 F N 1.081 121.173 119.950 0.236 0.000 2.522 248 F HA 0.674 5.201 4.527 -0.000 0.000 0.324 248 F C 0.441 176.548 175.800 0.512 0.000 1.077 248 F CA -0.666 57.577 58.000 0.406 0.000 0.944 248 F CB 1.861 41.078 39.000 0.363 0.000 1.175 248 F HN 0.654 nan 8.300 nan 0.000 0.468 249 R N 2.217 123.129 120.500 0.687 0.000 2.438 249 R HA 0.572 4.911 4.340 -0.000 0.000 0.287 249 R C -0.835 175.637 176.300 0.288 0.000 1.077 249 R CA -0.343 55.886 56.100 0.215 0.000 1.034 249 R CB 0.959 31.191 30.300 -0.114 0.000 0.993 249 R HN 0.766 nan 8.270 nan 0.000 0.459 250 A N 4.189 127.123 122.820 0.190 0.000 2.666 250 A HA 0.312 4.631 4.320 -0.000 0.000 0.312 250 A C 0.575 178.218 177.584 0.098 0.000 1.471 250 A CA -0.121 51.998 52.037 0.137 0.000 1.134 250 A CB 0.023 18.901 19.000 -0.203 0.000 1.129 250 A HN 0.881 nan 8.150 nan 0.000 0.539 251 G N 3.149 112.052 108.800 0.173 0.000 2.630 251 G HA2 0.405 4.365 3.960 -0.000 0.000 0.236 251 G HA3 0.405 4.365 3.960 -0.000 0.000 0.236 251 G C -2.268 172.718 174.900 0.143 0.000 1.248 251 G CA -0.899 44.211 45.100 0.017 0.000 0.844 251 G HN 0.551 nan 8.290 nan 0.000 0.588 252 P HA 0.075 nan 4.420 nan 0.000 0.271 252 P C 0.581 177.889 177.300 0.014 0.000 1.220 252 P CA -0.045 63.089 63.100 0.058 0.000 0.768 252 P CB 1.137 32.843 31.700 0.011 0.000 0.848 253 L N 1.686 122.897 121.223 -0.019 0.000 2.592 253 L HA 0.168 4.508 4.340 -0.000 0.000 0.227 253 L C 1.514 178.270 176.870 -0.190 0.000 1.127 253 L CA -0.046 54.706 54.840 -0.147 0.000 0.884 253 L CB -0.351 41.558 42.059 -0.250 0.000 1.065 253 L HN 0.309 nan 8.230 nan 0.000 0.457 254 R N 1.781 122.206 120.500 -0.124 0.000 2.570 254 R HA -0.015 4.325 4.340 -0.000 0.000 0.277 254 R C 0.432 176.678 176.300 -0.089 0.000 1.039 254 R CA 0.074 56.103 56.100 -0.117 0.000 1.065 254 R CB 0.176 30.453 30.300 -0.038 0.000 0.964 254 R HN 0.260 nan 8.270 nan 0.000 0.428 255 N N 1.183 119.822 118.700 -0.101 0.000 2.778 255 N HA -0.287 4.453 4.740 -0.000 0.000 0.249 255 N C 0.877 176.360 175.510 -0.045 0.000 1.069 255 N CA 1.098 54.112 53.050 -0.061 0.000 0.831 255 N CB -0.994 37.480 38.487 -0.022 0.000 1.142 255 N HN 0.699 nan 8.380 nan 0.000 0.573 256 I N 0.629 121.147 120.570 -0.086 0.000 2.399 256 I HA -0.282 3.888 4.170 -0.000 0.000 0.254 256 I C 2.121 178.258 176.117 0.033 0.000 1.146 256 I CA 1.844 63.121 61.300 -0.038 0.000 1.412 256 I CB -0.083 37.802 38.000 -0.192 0.000 1.076 256 I HN 0.317 nan 8.210 nan 0.000 0.432 257 A N 0.461 123.255 122.820 -0.044 0.000 2.076 257 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 257 A C 2.025 179.647 177.584 0.063 0.000 1.160 257 A CA 1.404 53.440 52.037 -0.001 0.000 0.653 257 A CB -0.572 18.396 19.000 -0.052 0.000 0.801 257 A HN 0.591 nan 8.150 nan 0.000 0.455 258 L N -0.946 120.308 121.223 0.050 0.000 2.616 258 L HA 0.079 4.419 4.340 -0.000 0.000 0.229 258 L C 1.431 178.326 176.870 0.043 0.000 1.110 258 L CA 0.891 55.760 54.840 0.048 0.000 0.884 258 L CB 0.021 42.099 42.059 0.032 0.000 1.115 258 L HN 0.421 nan 8.230 nan 0.000 0.481 259 T N -2.248 112.346 114.554 0.067 0.000 3.258 259 T HA 0.538 4.888 4.350 -0.000 0.000 0.263 259 T C 0.577 175.139 174.700 -0.231 0.000 0.983 259 T CA -0.311 61.789 62.100 0.001 0.000 0.907 259 T CB 0.114 69.016 68.868 0.057 0.000 1.096 259 T HN 0.122 nan 8.240 nan 0.000 0.556 260 A N 3.161 125.733 122.820 -0.413 0.000 2.425 260 A HA 0.599 4.919 4.320 -0.000 0.000 0.242 260 A C -1.772 175.330 177.584 -0.803 0.000 1.077 260 A CA -1.333 50.076 52.037 -1.046 0.000 0.781 260 A CB 0.085 18.747 19.000 -0.564 0.000 1.020 260 A HN 0.442 nan 8.150 nan 0.000 0.494 261 P HA 0.334 nan 4.420 nan 0.000 0.279 261 P C -1.144 175.410 177.300 -1.245 0.000 1.282 261 P CA 0.079 62.240 63.100 -1.564 0.000 0.788 261 P CB 0.398 30.886 31.700 -2.020 0.000 1.139 262 Y N -1.902 118.090 120.300 -0.513 0.000 2.567 262 Y HA 0.558 5.108 4.550 0.000 0.000 0.333 262 Y C 0.441 176.108 175.900 -0.388 0.000 1.106 262 Y CA -0.380 57.422 58.100 -0.496 0.000 1.157 262 Y CB 0.826 38.832 38.460 -0.757 0.000 1.277 262 Y HN 0.314 nan 8.280 nan 0.000 0.490 263 F N -0.360 119.715 119.950 0.209 0.000 2.183 263 F HA -0.302 4.225 4.527 -0.000 0.000 0.318 263 F C 1.590 177.312 175.800 -0.130 0.000 1.285 263 F CA 0.363 58.445 58.000 0.138 0.000 0.912 263 F CB -0.167 38.804 39.000 -0.048 0.000 4.135 263 F HN 0.885 nan 8.300 nan 0.000 0.137 264 H N 0.169 118.946 119.070 -0.489 0.000 2.460 264 H HA -0.129 4.427 4.556 -0.000 0.000 0.297 264 H C 1.747 176.801 175.328 -0.457 0.000 1.103 264 H CA 1.935 57.270 56.048 -1.187 0.000 1.292 264 H CB -0.667 28.366 29.762 -1.215 0.000 1.376 264 H HN 0.549 nan 8.280 nan 0.000 0.531 265 S N -0.385 114.748 115.700 -0.946 0.000 2.501 265 S HA 0.180 4.650 4.470 -0.000 0.000 0.220 265 S C 1.818 176.257 174.600 -0.267 0.000 0.997 265 S CA 0.462 58.334 58.200 -0.547 0.000 0.919 265 S CB -0.433 62.454 63.200 -0.521 0.000 0.778 265 S HN 0.825 nan 8.310 nan 0.000 0.523 266 G N 1.825 110.477 108.800 -0.248 0.000 2.249 266 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.273 266 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.273 266 G C 0.554 175.261 174.900 -0.322 0.000 1.036 266 G CA 0.699 45.614 45.100 -0.309 0.000 0.824 266 G HN 0.574 nan 8.290 nan 0.000 0.504 267 K N -0.892 119.413 120.400 -0.159 0.000 2.356 267 K HA 0.255 4.575 4.320 -0.000 0.000 0.195 267 K C 1.317 177.934 176.600 0.028 0.000 1.037 267 K CA 0.841 57.153 56.287 0.041 0.000 1.014 267 K CB 0.693 33.342 32.500 0.248 0.000 0.815 267 K HN 0.727 nan 8.250 nan 0.000 0.507 268 V N -1.441 118.330 119.914 -0.237 0.000 2.364 268 V HA 0.220 4.340 4.120 -0.000 0.000 0.272 268 V C -0.044 175.948 176.094 -0.170 0.000 1.036 268 V CA -0.756 61.419 62.300 -0.208 0.000 0.880 268 V CB 0.653 32.299 31.823 -0.295 0.000 0.991 268 V HN 0.212 nan 8.190 nan 0.000 0.460 269 W N 1.595 122.885 121.300 -0.017 0.000 2.704 269 W HA 0.291 4.951 4.660 -0.000 0.000 0.266 269 W C 0.940 177.503 176.519 0.074 0.000 1.266 269 W CA 0.484 57.798 57.345 -0.052 0.000 1.377 269 W CB 0.233 29.676 29.460 -0.029 0.000 1.082 269 W HN 0.717 nan 8.180 nan 0.000 0.608 270 D N 0.585 121.178 120.400 0.321 0.000 2.277 270 D HA 0.043 4.683 4.640 -0.000 0.000 0.249 270 D C 1.045 177.470 176.300 0.208 0.000 1.134 270 D CA -0.119 54.032 54.000 0.252 0.000 0.863 270 D CB 1.446 42.349 40.800 0.172 0.000 1.143 270 D HN -0.102 nan 8.370 nan 0.000 0.458 271 L N 5.154 126.468 121.223 0.152 0.000 2.046 271 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 271 L C 2.142 178.906 176.870 -0.178 0.000 1.077 271 L CA 1.603 56.304 54.840 -0.232 0.000 0.747 271 L CB -0.524 41.389 42.059 -0.243 0.000 0.896 271 L HN 0.495 nan 8.230 nan 0.000 0.432 272 R N 0.129 120.595 120.500 -0.057 0.000 2.105 272 R HA -0.244 4.096 4.340 -0.000 0.000 0.239 272 R C 2.208 178.507 176.300 -0.002 0.000 1.135 272 R CA 2.106 58.188 56.100 -0.030 0.000 0.967 272 R CB -0.436 29.866 30.300 0.005 0.000 0.861 272 R HN 0.705 nan 8.270 nan 0.000 0.442 273 E N -0.490 119.730 120.200 0.033 0.000 2.107 273 E HA -0.109 4.240 4.350 -0.000 0.000 0.191 273 E C 1.800 178.444 176.600 0.072 0.000 0.982 273 E CA 0.981 57.426 56.400 0.075 0.000 0.809 273 E CB -0.083 29.690 29.700 0.122 0.000 0.756 273 E HN 0.403 nan 8.360 nan 0.000 0.459 274 A N 0.603 123.419 122.820 -0.008 0.000 1.908 274 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 274 A C 2.395 180.020 177.584 0.068 0.000 1.181 274 A CA 1.512 53.539 52.037 -0.017 0.000 0.627 274 A CB -0.732 17.950 19.000 -0.530 0.000 0.818 274 A HN 0.231 nan 8.150 nan 0.000 0.445 275 V N -0.466 119.417 119.914 -0.051 0.000 2.343 275 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 275 V C 2.831 178.951 176.094 0.044 0.000 1.051 275 V CA 2.326 64.618 62.300 -0.013 0.000 1.036 275 V CB -0.740 31.059 31.823 -0.041 0.000 0.654 275 V HN 0.683 nan 8.190 nan 0.000 0.451 276 S N 0.189 115.918 115.700 0.049 0.000 2.348 276 S HA -0.173 4.297 4.470 -0.000 0.000 0.221 276 S C 2.138 176.786 174.600 0.080 0.000 1.033 276 S CA 1.956 60.192 58.200 0.061 0.000 1.010 276 S CB -0.358 62.882 63.200 0.066 0.000 0.891 276 S HN 0.562 nan 8.310 nan 0.000 0.442 277 V N -0.066 119.920 119.914 0.121 0.000 2.594 277 V HA -0.053 4.067 4.120 -0.000 0.000 0.253 277 V C 2.113 178.239 176.094 0.054 0.000 1.069 277 V CA 2.253 64.615 62.300 0.103 0.000 1.082 277 V CB -0.701 31.189 31.823 0.111 0.000 0.680 277 V HN 0.606 nan 8.190 nan 0.000 0.469 278 M N 0.409 120.066 119.600 0.095 0.000 2.325 278 M HA 0.322 4.802 4.480 -0.000 0.000 0.265 278 M C 2.222 178.525 176.300 0.005 0.000 1.094 278 M CA 1.653 56.986 55.300 0.054 0.000 1.161 278 M CB -0.308 32.373 32.600 0.135 0.000 1.358 278 M HN 0.399 nan 8.290 nan 0.000 0.446 279 A N 0.753 123.583 122.820 0.016 0.000 1.858 279 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 279 A C 0.946 178.521 177.584 -0.014 0.000 1.190 279 A CA 1.618 53.651 52.037 -0.006 0.000 0.617 279 A CB -0.897 18.108 19.000 0.008 0.000 0.827 279 A HN 0.612 nan 8.150 nan 0.000 0.443 280 N N 0.917 119.619 118.700 0.003 0.000 3.124 280 N HA 0.221 4.961 4.740 -0.000 0.000 0.284 280 N C -0.319 175.186 175.510 -0.007 0.000 1.209 280 N CA 0.805 53.856 53.050 0.001 0.000 1.149 280 N CB 0.091 38.589 38.487 0.018 0.000 1.434 280 N HN 0.586 nan 8.380 nan 0.000 0.529 281 S N -1.036 114.645 115.700 -0.031 0.000 2.661 281 S HA 0.109 4.578 4.470 -0.000 0.000 0.268 281 S C 0.838 175.394 174.600 -0.072 0.000 1.162 281 S CA -0.791 57.383 58.200 -0.045 0.000 0.817 281 S CB 1.029 64.191 63.200 -0.063 0.000 1.141 281 S HN 0.290 nan 8.310 nan 0.000 0.477 282 Q N 0.267 120.017 119.800 -0.083 0.000 2.297 282 Q HA -0.037 4.303 4.340 -0.000 0.000 0.208 282 Q C 1.492 177.384 176.000 -0.180 0.000 0.981 282 Q CA 1.554 57.298 55.803 -0.098 0.000 0.876 282 Q CB -0.876 27.829 28.738 -0.055 0.000 0.921 282 Q HN 0.734 nan 8.270 nan 0.000 0.446 283 L N 0.028 121.094 121.223 -0.262 0.000 2.341 283 L HA 0.185 4.525 4.340 -0.000 0.000 0.214 283 L C 1.581 178.338 176.870 -0.188 0.000 1.115 283 L CA 0.517 55.175 54.840 -0.302 0.000 0.820 283 L CB -0.269 41.552 42.059 -0.396 0.000 0.944 283 L HN 0.276 nan 8.230 nan 0.000 0.452 284 G N -0.519 108.201 108.800 -0.133 0.000 3.310 284 G HA2 0.725 4.685 3.960 -0.000 0.000 0.176 284 G HA3 0.725 4.685 3.960 -0.000 0.000 0.176 284 G C -0.813 174.043 174.900 -0.074 0.000 1.307 284 G CA 0.421 45.461 45.100 -0.100 0.000 0.935 284 G HN 0.268 nan 8.290 nan 0.000 0.628 285 A N -2.235 120.553 122.820 -0.052 0.000 2.557 285 A HA 0.644 4.964 4.320 -0.000 0.000 0.292 285 A C -0.510 177.060 177.584 -0.023 0.000 1.139 285 A CA -0.297 51.718 52.037 -0.037 0.000 0.665 285 A CB 0.323 19.300 19.000 -0.038 0.000 1.285 285 A HN 0.602 nan 8.150 nan 0.000 0.433 286 T N 2.148 116.692 114.554 -0.017 0.000 3.121 286 T HA 0.380 4.730 4.350 -0.000 0.000 0.256 286 T C -0.192 174.504 174.700 -0.007 0.000 0.942 286 T CA 0.688 62.783 62.100 -0.009 0.000 1.158 286 T CB -1.402 67.462 68.868 -0.007 0.000 0.963 286 T HN 0.323 nan 8.240 nan 0.000 0.660 287 L N 3.753 124.974 121.223 -0.004 0.000 2.309 287 L HA 0.476 4.816 4.340 -0.000 0.000 0.282 287 L C 0.632 177.504 176.870 0.004 0.000 1.036 287 L CA -1.229 53.610 54.840 -0.001 0.000 0.806 287 L CB 1.273 43.333 42.059 0.001 0.000 1.220 287 L HN 0.549 nan 8.230 nan 0.000 0.429 288 D N -0.150 120.252 120.400 0.003 0.000 2.451 288 D HA -0.009 4.631 4.640 -0.000 0.000 0.259 288 D C 0.723 177.028 176.300 0.008 0.000 1.201 288 D CA -0.552 53.451 54.000 0.006 0.000 1.028 288 D CB 0.758 41.560 40.800 0.004 0.000 1.095 288 D HN 0.573 nan 8.370 nan 0.000 0.539 289 D N -0.474 119.932 120.400 0.010 0.000 2.133 289 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 289 D C 1.511 177.815 176.300 0.008 0.000 0.997 289 D CA 1.681 55.687 54.000 0.011 0.000 0.840 289 D CB -0.259 40.548 40.800 0.012 0.000 0.947 289 D HN 0.483 nan 8.370 nan 0.000 0.452 290 T N 0.748 115.305 114.554 0.005 0.000 2.708 290 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 290 T C 2.105 176.805 174.700 -0.000 0.000 1.037 290 T CA 1.331 63.432 62.100 0.001 0.000 1.146 290 T CB -0.183 68.684 68.868 -0.001 0.000 0.865 290 T HN 0.336 nan 8.240 nan 0.000 0.435 291 Q N 0.275 120.076 119.800 0.001 0.000 2.061 291 Q HA -0.080 4.260 4.340 -0.000 0.000 0.204 291 Q C 2.567 178.571 176.000 0.007 0.000 0.984 291 Q CA 1.212 57.015 55.803 0.001 0.000 0.846 291 Q CB -0.494 28.244 28.738 -0.000 0.000 0.902 291 Q HN 0.325 nan 8.270 nan 0.000 0.421 292 V N 1.738 121.658 119.914 0.010 0.000 2.295 292 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 292 V C 1.711 177.810 176.094 0.009 0.000 1.049 292 V CA 2.012 64.321 62.300 0.014 0.000 1.024 292 V CB -0.555 31.278 31.823 0.016 0.000 0.648 292 V HN 0.350 nan 8.190 nan 0.000 0.447 293 D N -0.365 120.037 120.400 0.004 0.000 2.158 293 D HA -0.218 4.422 4.640 -0.000 0.000 0.197 293 D C 2.330 178.626 176.300 -0.006 0.000 0.995 293 D CA 1.474 55.472 54.000 -0.003 0.000 0.846 293 D CB -0.168 40.630 40.800 -0.002 0.000 0.941 293 D HN 0.583 nan 8.370 nan 0.000 0.456 294 Q N -0.179 119.620 119.800 -0.002 0.000 2.123 294 Q HA 0.002 4.342 4.340 -0.000 0.000 0.199 294 Q C 2.532 178.544 176.000 0.021 0.000 0.966 294 Q CA 0.514 56.315 55.803 -0.003 0.000 0.845 294 Q CB 0.176 28.905 28.738 -0.014 0.000 0.907 294 Q HN 0.344 nan 8.270 nan 0.000 0.439 295 I N 0.774 121.368 120.570 0.041 0.000 2.226 295 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 295 I C 2.769 178.922 176.117 0.060 0.000 1.100 295 I CA 1.561 62.927 61.300 0.110 0.000 1.374 295 I CB -0.479 37.605 38.000 0.140 0.000 1.057 295 I HN 0.303 nan 8.210 nan 0.000 0.413 296 T N 0.138 114.686 114.554 -0.009 0.000 2.867 296 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 296 T C 1.931 176.569 174.700 -0.104 0.000 1.057 296 T CA 1.264 63.313 62.100 -0.084 0.000 1.136 296 T CB -0.111 68.711 68.868 -0.077 0.000 0.874 296 T HN 0.357 nan 8.240 nan 0.000 0.466 297 A N 0.633 123.421 122.820 -0.054 0.000 1.933 297 A HA 0.106 4.426 4.320 -0.000 0.000 0.218 297 A C 2.039 179.575 177.584 -0.080 0.000 1.175 297 A CA 1.564 53.566 52.037 -0.059 0.000 0.628 297 A CB -1.094 17.887 19.000 -0.031 0.000 0.814 297 A HN 0.673 nan 8.150 nan 0.000 0.444 298 F N 0.686 120.502 119.950 -0.223 0.000 2.146 298 F HA -0.063 4.464 4.527 0.000 0.000 0.298 298 F C 1.740 177.299 175.800 -0.402 0.000 1.096 298 F CA 1.333 59.135 58.000 -0.330 0.000 1.275 298 F CB -0.419 38.348 39.000 -0.389 0.000 1.008 298 F HN 0.123 nan 8.300 nan 0.000 0.480 299 L N 0.277 121.083 121.223 -0.696 0.000 2.083 299 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 299 L C 2.704 179.230 176.870 -0.574 0.000 1.083 299 L CA 1.291 55.636 54.840 -0.824 0.000 0.752 299 L CB -1.560 40.186 42.059 -0.521 0.000 0.899 299 L HN 0.380 nan 8.230 nan 0.000 0.433 300 G N -1.654 106.926 108.800 -0.367 0.000 2.509 300 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 300 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 300 G C 1.509 176.265 174.900 -0.240 0.000 1.124 300 G CA 0.921 45.875 45.100 -0.244 0.000 0.776 300 G HN 0.218 nan 8.290 nan 0.000 0.547 301 T N 0.634 114.988 114.554 -0.334 0.000 3.118 301 T HA 0.142 4.492 4.350 -0.000 0.000 0.260 301 T C 1.888 176.440 174.700 -0.246 0.000 1.139 301 T CA 0.168 62.121 62.100 -0.246 0.000 1.085 301 T CB -0.164 68.570 68.868 -0.224 0.000 0.934 301 T HN 0.209 nan 8.240 nan 0.000 0.518 302 L N 0.867 121.862 121.223 -0.380 0.000 2.628 302 L HA 0.197 4.537 4.340 -0.000 0.000 0.229 302 L C 0.514 177.293 176.870 -0.152 0.000 1.137 302 L CA 0.009 54.672 54.840 -0.294 0.000 0.909 302 L CB -0.128 41.651 42.059 -0.467 0.000 1.137 302 L HN 0.028 nan 8.230 nan 0.000 0.470 303 T N 0.969 115.451 114.554 -0.120 0.000 2.737 303 T HA 0.437 4.787 4.350 -0.000 0.000 0.296 303 T C 0.616 175.298 174.700 -0.031 0.000 0.922 303 T CA -0.243 61.817 62.100 -0.067 0.000 1.079 303 T CB 1.469 70.303 68.868 -0.057 0.000 0.892 303 T HN 0.330 nan 8.240 nan 0.000 0.514 304 G N 1.318 110.108 108.800 -0.015 0.000 2.601 304 G HA2 0.610 4.570 3.960 -0.000 0.000 0.317 304 G HA3 0.610 4.570 3.960 -0.000 0.000 0.317 304 G C -0.213 174.688 174.900 0.002 0.000 1.246 304 G CA -0.866 44.234 45.100 0.000 0.000 1.012 304 G HN 0.864 nan 8.290 nan 0.000 0.494 305 E N 0.735 120.939 120.200 0.005 0.000 2.406 305 E HA 0.259 4.609 4.350 -0.000 0.000 0.258 305 E C 0.406 177.009 176.600 0.004 0.000 1.043 305 E CA -0.288 56.115 56.400 0.006 0.000 0.929 305 E CB -0.132 29.571 29.700 0.005 0.000 0.969 305 E HN 0.412 nan 8.360 nan 0.000 0.462 306 Q N 2.209 122.015 119.800 0.009 0.000 2.364 306 Q HA 0.240 4.580 4.340 -0.000 0.000 0.267 306 Q C -1.962 174.043 176.000 0.008 0.000 0.999 306 Q CA -1.707 54.102 55.803 0.011 0.000 0.886 306 Q CB 0.401 29.154 28.738 0.025 0.000 1.243 306 Q HN 0.481 nan 8.270 nan 0.000 0.415 307 P HA 0.124 nan 4.420 nan 0.000 0.271 307 P C -0.600 176.716 177.300 0.027 0.000 1.216 307 P CA 0.109 63.203 63.100 -0.009 0.000 0.771 307 P CB 0.344 32.011 31.700 -0.055 0.000 0.864 308 E N 2.456 122.672 120.200 0.027 0.000 2.052 308 E HA 0.409 4.759 4.350 -0.000 0.000 0.283 308 E C -0.619 176.017 176.600 0.059 0.000 1.071 308 E CA -0.570 55.856 56.400 0.043 0.000 0.851 308 E CB 0.239 29.956 29.700 0.028 0.000 1.066 308 E HN 0.339 nan 8.360 nan 0.000 0.396 309 V N 3.297 123.268 119.914 0.096 0.000 2.409 309 V HA 0.340 4.460 4.120 -0.000 0.000 0.291 309 V C 0.261 176.387 176.094 0.054 0.000 1.020 309 V CA -0.972 61.401 62.300 0.121 0.000 0.848 309 V CB 1.742 33.727 31.823 0.271 0.000 0.990 309 V HN 0.671 nan 8.190 nan 0.000 0.430 310 V N 3.906 123.812 119.914 -0.014 0.000 2.555 310 V HA 0.141 4.261 4.120 -0.000 0.000 0.286 310 V C 0.335 176.295 176.094 -0.223 0.000 1.044 310 V CA -0.380 61.882 62.300 -0.063 0.000 1.026 310 V CB 0.701 32.490 31.823 -0.057 0.000 0.981 310 V HN 0.928 nan 8.190 nan 0.000 0.480 311 H N 7.562 126.458 119.070 -0.290 0.000 3.026 311 H HA 0.222 4.778 4.556 -0.000 0.000 0.289 311 H C -1.981 173.094 175.328 -0.421 0.000 1.022 311 H CA -1.181 54.548 56.048 -0.531 0.000 1.477 311 H CB 0.767 30.364 29.762 -0.274 0.000 1.510 311 H HN 0.514 nan 8.280 nan 0.000 0.535 312 P HA -0.008 nan 4.420 nan 0.000 0.272 312 P C -0.471 176.767 177.300 -0.103 0.000 1.223 312 P CA -0.285 62.603 63.100 -0.352 0.000 0.784 312 P CB 1.120 32.578 31.700 -0.403 0.000 0.923 313 I N 3.122 123.657 120.570 -0.059 0.000 2.308 313 I HA 0.162 4.332 4.170 -0.000 0.000 0.293 313 I C 0.920 177.009 176.117 -0.046 0.000 1.078 313 I CA -0.544 60.750 61.300 -0.010 0.000 1.292 313 I CB -0.410 37.574 38.000 -0.027 0.000 1.423 313 I HN 0.243 nan 8.210 nan 0.000 0.493 314 L N 8.768 129.986 121.223 -0.007 0.000 2.426 314 L HA 0.240 4.580 4.340 -0.000 0.000 0.271 314 L C -1.593 175.211 176.870 -0.109 0.000 1.169 314 L CA -1.530 53.280 54.840 -0.050 0.000 0.836 314 L CB -0.091 42.002 42.059 0.057 0.000 1.112 314 L HN 0.392 nan 8.230 nan 0.000 0.465 315 P HA 0.068 nan 4.420 nan 0.000 0.269 315 P C -0.518 176.728 177.300 -0.089 0.000 1.209 315 P CA -0.341 62.626 63.100 -0.221 0.000 0.776 315 P CB 0.783 32.220 31.700 -0.437 0.000 0.876 316 V N 3.488 123.377 119.914 -0.041 0.000 2.715 316 V HA 0.060 4.179 4.120 -0.000 0.000 0.299 316 V C 1.639 177.751 176.094 0.029 0.000 1.054 316 V CA -0.238 62.063 62.300 0.001 0.000 1.077 316 V CB -0.169 31.656 31.823 0.003 0.000 0.972 316 V HN 0.686 nan 8.190 nan 0.000 0.484 317 R N 3.287 123.815 120.500 0.046 0.000 2.783 317 R HA 0.606 4.946 4.340 -0.000 0.000 0.276 317 R C 0.145 176.474 176.300 0.049 0.000 1.223 317 R CA -0.128 56.011 56.100 0.064 0.000 1.173 317 R CB 0.373 30.710 30.300 0.061 0.000 1.157 317 R HN 0.795 nan 8.270 nan 0.000 0.600 318 S N -2.161 113.568 115.700 0.049 0.000 2.685 318 S HA 0.505 4.975 4.470 -0.000 0.000 0.282 318 S C 0.569 175.187 174.600 0.030 0.000 1.159 318 S CA -0.529 57.694 58.200 0.037 0.000 0.833 318 S CB 1.566 64.790 63.200 0.039 0.000 1.151 318 S HN 0.743 nan 8.310 nan 0.000 0.485 319 A N 0.194 123.028 122.820 0.023 0.000 2.076 319 A HA -0.038 4.282 4.320 -0.000 0.000 0.220 319 A C 1.792 179.386 177.584 0.017 0.000 1.160 319 A CA 1.643 53.691 52.037 0.018 0.000 0.653 319 A CB -0.925 18.083 19.000 0.014 0.000 0.801 319 A HN 0.707 nan 8.150 nan 0.000 0.455 320 Q N -0.339 119.473 119.800 0.020 0.000 2.424 320 Q HA 0.088 4.428 4.340 -0.000 0.000 0.204 320 Q C 0.196 176.207 176.000 0.019 0.000 0.933 320 Q CA 0.489 56.302 55.803 0.016 0.000 0.929 320 Q CB -0.205 28.542 28.738 0.015 0.000 1.037 320 Q HN 0.495 nan 8.270 nan 0.000 0.511 321 T N 3.246 117.818 114.554 0.030 0.000 2.817 321 T HA 0.177 4.527 4.350 -0.000 0.000 0.295 321 T C -2.376 172.339 174.700 0.026 0.000 0.958 321 T CA -1.070 61.052 62.100 0.038 0.000 1.157 321 T CB 0.569 69.472 68.868 0.058 0.000 0.898 321 T HN -0.018 nan 8.240 nan 0.000 0.536 322 P HA 0.083 nan 4.420 nan 0.000 0.264 322 P C 0.241 177.550 177.300 0.015 0.000 1.183 322 P CA -0.049 63.056 63.100 0.009 0.000 0.763 322 P CB 0.496 32.197 31.700 0.000 0.000 0.807 323 R N 3.963 124.469 120.500 0.011 0.000 2.582 323 R HA 0.332 4.672 4.340 -0.000 0.000 0.271 323 R C -1.925 174.380 176.300 0.009 0.000 1.078 323 R CA -1.464 54.642 56.100 0.011 0.000 1.127 323 R CB -0.576 29.728 30.300 0.007 0.000 1.038 323 R HN 0.396 nan 8.270 nan 0.000 0.500 324 P HA 0.002 nan 4.420 nan 0.000 0.268 324 P C 0.830 178.130 177.300 0.000 0.000 1.208 324 P CA 0.326 63.429 63.100 0.005 0.000 0.777 324 P CB 0.536 32.236 31.700 0.000 0.000 0.875 325 E N 0.879 121.078 120.200 -0.000 0.000 2.026 325 E HA -0.119 4.231 4.350 -0.000 0.000 0.206 325 E C 0.994 177.592 176.600 -0.004 0.000 1.028 325 E CA 2.796 59.196 56.400 -0.001 0.000 0.845 325 E CB -1.887 27.814 29.700 0.001 0.000 0.772 325 E HN 1.058 nan 8.360 nan 0.000 0.462 326 H N 0.000 119.066 119.070 -0.007 0.000 2.539 326 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 326 H CA 0.000 56.043 56.048 -0.009 0.000 1.023 326 H CB 0.000 29.758 29.762 -0.006 0.000 1.292 326 H HN 0.000 nan 8.280 nan 0.000 0.496