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 2fgy_1_A DATA FIRST_RESID 38 DATA SEQUENCE HPAcITLPER TcRHPLTDLE ANEQLGRCED SVKNRFDRVI PFLQVVAGIP DATA SEQUENCE LGLDHVTRVQ ELAQSSLGHT LPEELLKDNW ISGHNLKGIF GYATAKALTA DATA SEQUENCE ATEQFSRXXX XXXDDSASAI GFFLDCGFHA VDISPCADGR LKGLLPYILR DATA SEQUENCE LPLTAFTYRK AYAGSMFDIE DDLAQWEKNE LRRYREGVPN TADQPTRYLK DATA SEQUENCE IAVYHFSTSD PTHSGCAAHG SNDRAALEAA LTQLMKFREA VENAHCCGAS DATA SEQUENCE IDILLIGVDT DTDAIRVHIP DSKGFLNPYR YVDNTVTYAQ TLHLAPDEAR DATA SEQUENCE VIIHEAILNA NRSDGWAKGN GVASEGMRRF IGQLLINNLS QIDYVVNRHG DATA SEQUENCE GRYPPNDIGH AERYISVGDG FDEVQIRNLA YYAHLDTVEE NAIDVDVGIT DATA SEQUENCE IFTKLNLSRG LPIPIAIHYR YDPNVPGSRE RTVVKARRIY NAIKERFSSL DATA SEQUENCE DEQNLLQFRL SVQAQDIGSP IEEVASA 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 38 H HA 0.000 nan 4.556 nan 0.000 0.296 38 H C 0.000 175.331 175.328 0.004 0.000 0.993 38 H CA 0.000 56.047 56.048 -0.001 0.000 1.023 38 H CB 0.000 29.751 29.762 -0.019 0.000 1.292 39 P HA 0.080 nan 4.420 nan 0.000 0.229 39 P C 0.761 178.021 177.300 -0.066 0.000 1.160 39 P CA 1.107 64.111 63.100 -0.159 0.000 0.777 39 P CB 0.420 32.020 31.700 -0.166 0.000 0.814 40 A N -0.897 121.884 122.820 -0.065 0.000 1.963 40 A HA 0.120 4.439 4.320 -0.001 0.000 0.207 40 A C 1.266 178.952 177.584 0.171 0.000 1.243 40 A CA 0.416 52.466 52.037 0.021 0.000 0.728 40 A CB -0.601 18.223 19.000 -0.293 0.000 0.895 40 A HN 0.332 nan 8.150 nan 0.000 0.467 41 c N 1.558 120.340 118.600 0.304 0.000 2.170 41 c HA 0.564 5.133 4.570 -0.001 0.000 0.339 41 c C 1.687 175.880 174.090 0.171 0.000 1.056 41 c CA -0.954 55.486 56.329 0.185 0.000 1.535 41 c CB -2.403 40.094 42.510 -0.021 0.000 1.785 41 c HN 0.547 nan 8.230 nan 0.000 0.440 42 I N 3.139 123.810 120.570 0.169 0.000 2.113 42 I HA -0.222 3.947 4.170 -0.001 0.000 0.242 42 I C 2.667 178.846 176.117 0.103 0.000 1.064 42 I CA 2.469 63.849 61.300 0.134 0.000 1.320 42 I CB -0.414 37.666 38.000 0.134 0.000 1.028 42 I HN 0.760 nan 8.210 nan 0.000 0.406 43 T N -0.561 114.051 114.554 0.096 0.000 3.098 43 T HA 0.072 4.421 4.350 -0.001 0.000 0.266 43 T C 0.754 175.480 174.700 0.042 0.000 1.145 43 T CA 0.142 62.282 62.100 0.068 0.000 1.092 43 T CB -0.748 68.163 68.868 0.073 0.000 0.908 43 T HN 0.106 nan 8.240 nan 0.000 0.526 44 L N 2.395 123.637 121.223 0.031 0.000 2.461 44 L HA 0.208 4.547 4.340 -0.001 0.000 0.272 44 L C -0.710 176.173 176.870 0.022 0.000 1.197 44 L CA -1.569 53.271 54.840 -0.000 0.000 0.836 44 L CB 0.615 42.638 42.059 -0.060 0.000 1.105 44 L HN 0.055 nan 8.230 nan 0.000 0.477 45 P HA 0.007 nan 4.420 nan 0.000 0.240 45 P C 0.631 177.929 177.300 -0.003 0.000 1.190 45 P CA 0.510 63.607 63.100 -0.005 0.000 0.781 45 P CB 0.354 32.055 31.700 0.001 0.000 0.931 46 E N -0.254 119.950 120.200 0.006 0.000 2.347 46 E HA 0.006 4.355 4.350 -0.001 0.000 0.196 46 E C 1.003 177.607 176.600 0.006 0.000 1.008 46 E CA 0.564 56.968 56.400 0.007 0.000 0.852 46 E CB 0.031 29.738 29.700 0.011 0.000 0.783 46 E HN 0.143 nan 8.360 nan 0.000 0.505 47 R N -0.080 120.426 120.500 0.009 0.000 2.535 47 R HA 0.259 4.598 4.340 -0.001 0.000 0.274 47 R C -1.380 174.927 176.300 0.011 0.000 1.090 47 R CA -0.312 55.795 56.100 0.013 0.000 0.930 47 R CB 1.579 31.894 30.300 0.026 0.000 1.223 47 R HN -0.071 nan 8.270 nan 0.000 0.441 48 T N 3.198 117.755 114.554 0.004 0.000 2.799 48 T HA 0.298 4.647 4.350 -0.001 0.000 0.286 48 T C -0.050 174.667 174.700 0.028 0.000 0.973 48 T CA -0.282 61.815 62.100 -0.005 0.000 1.035 48 T CB 0.668 69.521 68.868 -0.025 0.000 0.932 48 T HN 0.524 nan 8.240 nan 0.000 0.469 49 c N 4.222 122.854 118.600 0.053 0.000 2.527 49 c HA 0.458 5.027 4.570 -0.001 0.000 0.396 49 c C 0.839 174.995 174.090 0.111 0.000 1.289 49 c CA -0.943 55.452 56.329 0.109 0.000 2.047 49 c CB -0.692 41.958 42.510 0.234 0.000 2.568 49 c HN 0.774 nan 8.230 nan 0.000 0.573 50 R N 2.226 122.768 120.500 0.070 0.000 2.409 50 R HA 0.336 4.676 4.340 -0.001 0.000 0.313 50 R C -0.511 175.794 176.300 0.008 0.000 0.953 50 R CA -0.551 55.588 56.100 0.065 0.000 0.849 50 R CB 1.018 31.335 30.300 0.029 0.000 1.171 50 R HN 0.770 nan 8.270 nan 0.000 0.458 51 H N 5.255 124.297 119.070 -0.047 0.000 2.683 51 H HA 0.107 4.662 4.556 -0.001 0.000 0.339 51 H C -1.434 173.826 175.328 -0.115 0.000 1.081 51 H CA -1.639 54.289 56.048 -0.199 0.000 1.432 51 H CB 1.708 31.268 29.762 -0.336 0.000 1.462 51 H HN 0.394 nan 8.280 nan 0.000 0.557 52 P HA -0.060 nan 4.420 nan 0.000 0.226 52 P C 1.083 178.423 177.300 0.068 0.000 1.153 52 P CA 0.703 63.763 63.100 -0.068 0.000 0.777 52 P CB 0.424 32.035 31.700 -0.147 0.000 0.794 53 L N -0.797 120.580 121.223 0.258 0.000 2.611 53 L HA 0.138 4.477 4.340 -0.001 0.000 0.229 53 L C 0.635 177.547 176.870 0.070 0.000 1.137 53 L CA 0.056 54.974 54.840 0.131 0.000 0.901 53 L CB -0.641 41.473 42.059 0.092 0.000 1.098 53 L HN -0.170 nan 8.230 nan 0.000 0.456 54 T N 0.255 114.866 114.554 0.096 0.000 2.870 54 T HA -0.007 4.343 4.350 -0.001 0.000 0.300 54 T C 0.122 174.845 174.700 0.038 0.000 0.989 54 T CA -0.080 62.061 62.100 0.068 0.000 1.139 54 T CB 0.881 69.811 68.868 0.104 0.000 0.920 54 T HN -0.017 nan 8.240 nan 0.000 0.537 55 D N 3.615 124.028 120.400 0.021 0.000 2.422 55 D HA 0.144 4.783 4.640 -0.001 0.000 0.227 55 D C 1.211 177.523 176.300 0.020 0.000 1.190 55 D CA -0.215 53.788 54.000 0.007 0.000 0.905 55 D CB 0.265 41.056 40.800 -0.017 0.000 1.034 55 D HN 0.451 nan 8.370 nan 0.000 0.507 56 L N 2.610 123.847 121.223 0.022 0.000 2.046 56 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 56 L C 2.167 179.051 176.870 0.024 0.000 1.077 56 L CA 0.799 55.655 54.840 0.027 0.000 0.747 56 L CB -0.126 41.944 42.059 0.019 0.000 0.896 56 L HN 0.307 nan 8.230 nan 0.000 0.432 57 E N 0.363 120.570 120.200 0.012 0.000 2.072 57 E HA -0.153 4.197 4.350 -0.001 0.000 0.191 57 E C 2.337 178.942 176.600 0.009 0.000 0.985 57 E CA 1.329 57.735 56.400 0.010 0.000 0.801 57 E CB -0.274 29.428 29.700 0.002 0.000 0.750 57 E HN 0.447 nan 8.360 nan 0.000 0.452 58 A N 1.842 124.659 122.820 -0.005 0.000 1.902 58 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 58 A C 1.971 179.555 177.584 -0.001 0.000 1.181 58 A CA 1.668 53.689 52.037 -0.027 0.000 0.623 58 A CB -0.534 18.430 19.000 -0.059 0.000 0.818 58 A HN 0.147 nan 8.150 nan 0.000 0.443 59 N N -0.025 118.709 118.700 0.057 0.000 2.120 59 N HA -0.123 4.616 4.740 -0.001 0.000 0.188 59 N C 1.702 177.321 175.510 0.182 0.000 1.024 59 N CA 1.253 54.411 53.050 0.181 0.000 0.852 59 N CB -0.324 38.280 38.487 0.195 0.000 1.003 59 N HN 0.435 nan 8.380 nan 0.000 0.424 60 E N 1.110 121.364 120.200 0.090 0.000 2.038 60 E HA -0.191 4.159 4.350 -0.001 0.000 0.195 60 E C 1.848 178.498 176.600 0.083 0.000 1.000 60 E CA 1.212 57.654 56.400 0.070 0.000 0.803 60 E CB -0.159 29.565 29.700 0.040 0.000 0.750 60 E HN 0.499 nan 8.360 nan 0.000 0.448 61 Q N -0.040 119.795 119.800 0.058 0.000 2.124 61 Q HA -0.078 4.262 4.340 -0.001 0.000 0.202 61 Q C 2.471 178.491 176.000 0.033 0.000 0.977 61 Q CA 0.976 56.809 55.803 0.051 0.000 0.850 61 Q CB -0.078 28.674 28.738 0.024 0.000 0.901 61 Q HN 0.247 nan 8.270 nan 0.000 0.429 62 L N -0.508 120.717 121.223 0.004 0.000 2.093 62 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 62 L C 2.297 179.338 176.870 0.286 0.000 1.085 62 L CA 1.025 55.830 54.840 -0.058 0.000 0.755 62 L CB -0.584 41.255 42.059 -0.367 0.000 0.904 62 L HN 0.340 nan 8.230 nan 0.000 0.435 63 G N -0.514 108.522 108.800 0.392 0.000 2.394 63 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.214 63 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.214 63 G C 1.680 176.686 174.900 0.177 0.000 1.176 63 G CA 0.060 45.361 45.100 0.335 0.000 0.786 63 G HN 0.136 nan 8.290 nan 0.000 0.533 64 R N 0.085 120.663 120.500 0.131 0.000 2.103 64 R HA -0.121 4.218 4.340 -0.001 0.000 0.242 64 R C 2.606 178.979 176.300 0.121 0.000 1.142 64 R CA 1.342 57.517 56.100 0.126 0.000 0.960 64 R CB -1.473 28.913 30.300 0.143 0.000 0.858 64 R HN 0.460 nan 8.270 nan 0.000 0.439 65 C N 1.297 120.609 119.300 0.020 0.000 2.432 65 C HA -0.104 4.356 4.460 -0.001 0.000 0.277 65 C C 2.708 177.625 174.990 -0.121 0.000 1.249 65 C CA 1.092 59.923 59.018 -0.312 0.000 1.725 65 C CB -0.809 26.566 27.740 -0.609 0.000 2.028 65 C HN 0.588 nan 8.230 nan 0.000 0.477 66 E N 0.032 120.271 120.200 0.066 0.000 2.077 66 E HA -0.239 4.111 4.350 -0.001 0.000 0.193 66 E C 1.598 178.250 176.600 0.087 0.000 0.989 66 E CA 1.976 58.430 56.400 0.091 0.000 0.800 66 E CB -0.226 29.579 29.700 0.174 0.000 0.746 66 E HN 0.626 nan 8.360 nan 0.000 0.452 67 D N -0.103 120.361 120.400 0.105 0.000 2.123 67 D HA -0.130 4.509 4.640 -0.001 0.000 0.200 67 D C 2.051 178.417 176.300 0.109 0.000 0.976 67 D CA 1.295 55.355 54.000 0.099 0.000 0.831 67 D CB -0.511 40.341 40.800 0.086 0.000 0.974 67 D HN 0.130 nan 8.370 nan 0.000 0.469 68 S N 0.186 115.964 115.700 0.129 0.000 2.348 68 S HA -0.131 4.338 4.470 -0.001 0.000 0.221 68 S C 2.193 176.896 174.600 0.172 0.000 1.033 68 S CA 1.311 59.608 58.200 0.161 0.000 1.010 68 S CB -0.407 62.945 63.200 0.253 0.000 0.891 68 S HN 0.038 nan 8.310 nan 0.000 0.442 69 V N 2.005 122.027 119.914 0.180 0.000 2.261 69 V HA -0.157 3.962 4.120 -0.001 0.000 0.246 69 V C 2.621 178.888 176.094 0.287 0.000 1.047 69 V CA 2.227 64.659 62.300 0.220 0.000 1.015 69 V CB -0.733 31.185 31.823 0.158 0.000 0.642 69 V HN 0.488 nan 8.190 nan 0.000 0.446 70 K N 0.092 120.615 120.400 0.205 0.000 2.147 70 K HA -0.203 4.116 4.320 -0.001 0.000 0.205 70 K C 2.144 178.875 176.600 0.218 0.000 1.049 70 K CA 1.550 57.963 56.287 0.209 0.000 0.936 70 K CB -0.366 32.197 32.500 0.104 0.000 0.722 70 K HN 0.547 nan 8.250 nan 0.000 0.446 71 N N 1.211 120.005 118.700 0.156 0.000 2.084 71 N HA -0.188 4.551 4.740 -0.001 0.000 0.190 71 N C 1.739 177.306 175.510 0.096 0.000 1.030 71 N CA 1.056 54.175 53.050 0.115 0.000 0.849 71 N CB 0.113 38.651 38.487 0.085 0.000 1.012 71 N HN 0.144 nan 8.380 nan 0.000 0.423 72 R N -0.520 120.018 120.500 0.063 0.000 2.119 72 R HA -0.165 4.174 4.340 -0.001 0.000 0.246 72 R C 2.123 178.326 176.300 -0.161 0.000 1.146 72 R CA 1.737 57.787 56.100 -0.083 0.000 0.962 72 R CB -0.402 29.784 30.300 -0.190 0.000 0.863 72 R HN 0.314 nan 8.270 nan 0.000 0.442 73 F N 0.672 120.644 119.950 0.038 0.000 2.149 73 F HA -0.108 4.418 4.527 -0.001 0.000 0.294 73 F C 2.163 178.015 175.800 0.085 0.000 1.095 73 F CA 1.117 59.148 58.000 0.051 0.000 1.276 73 F CB -0.222 38.829 39.000 0.086 0.000 1.023 73 F HN -0.075 nan 8.300 nan 0.000 0.480 74 D N 0.160 120.727 120.400 0.279 0.000 2.178 74 D HA -0.136 4.503 4.640 -0.001 0.000 0.202 74 D C 2.179 178.576 176.300 0.162 0.000 0.974 74 D CA 0.909 55.032 54.000 0.204 0.000 0.841 74 D CB -0.489 40.403 40.800 0.154 0.000 0.953 74 D HN 0.356 nan 8.370 nan 0.000 0.478 75 R N 0.837 121.410 120.500 0.123 0.000 2.237 75 R HA -0.009 4.330 4.340 -0.001 0.000 0.219 75 R C 1.645 178.026 176.300 0.134 0.000 1.080 75 R CA 0.539 56.699 56.100 0.100 0.000 0.995 75 R CB -0.533 29.796 30.300 0.049 0.000 0.875 75 R HN 0.023 nan 8.270 nan 0.000 0.462 76 V N 1.902 121.905 119.914 0.149 0.000 2.407 76 V HA -0.233 3.887 4.120 -0.001 0.000 0.248 76 V C 2.480 178.774 176.094 0.333 0.000 1.055 76 V CA 1.399 63.836 62.300 0.228 0.000 1.049 76 V CB -0.390 31.552 31.823 0.197 0.000 0.662 76 V HN 0.301 nan 8.190 nan 0.000 0.455 77 I N 0.279 121.011 120.570 0.270 0.000 2.163 77 I HA -0.077 4.092 4.170 -0.001 0.000 0.240 77 I C 0.116 176.327 176.117 0.156 0.000 1.081 77 I CA 1.508 62.940 61.300 0.219 0.000 1.353 77 I CB -2.923 35.180 38.000 0.171 0.000 1.054 77 I HN 0.351 nan 8.210 nan 0.000 0.407 78 P HA -0.206 nan 4.420 nan 0.000 0.218 78 P C 1.957 179.325 177.300 0.113 0.000 1.148 78 P CA 1.393 64.554 63.100 0.102 0.000 0.822 78 P CB -0.285 31.473 31.700 0.097 0.000 0.784 79 F N 0.356 120.326 119.950 0.033 0.000 2.113 79 F HA -0.126 4.400 4.527 -0.001 0.000 0.297 79 F C 2.015 177.824 175.800 0.015 0.000 1.103 79 F CA 1.359 59.369 58.000 0.017 0.000 1.248 79 F CB -0.983 38.027 39.000 0.018 0.000 0.999 79 F HN -0.273 nan 8.300 nan 0.000 0.475 80 L N 0.201 121.388 121.223 -0.059 0.000 2.083 80 L HA -0.239 4.100 4.340 -0.001 0.000 0.209 80 L C 2.661 179.420 176.870 -0.186 0.000 1.083 80 L CA 1.172 55.916 54.840 -0.161 0.000 0.752 80 L CB -0.803 41.297 42.059 0.069 0.000 0.899 80 L HN 0.253 nan 8.230 nan 0.000 0.433 81 Q N -0.468 119.272 119.800 -0.100 0.000 2.096 81 Q HA -0.182 4.157 4.340 -0.001 0.000 0.204 81 Q C 2.379 178.295 176.000 -0.139 0.000 0.982 81 Q CA 1.578 57.328 55.803 -0.088 0.000 0.850 81 Q CB -0.594 28.120 28.738 -0.040 0.000 0.901 81 Q HN 0.414 nan 8.270 nan 0.000 0.422 82 V N 0.788 120.595 119.914 -0.179 0.000 2.261 82 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 82 V C 2.568 178.482 176.094 -0.300 0.000 1.047 82 V CA 1.531 63.711 62.300 -0.200 0.000 1.015 82 V CB -0.760 30.960 31.823 -0.172 0.000 0.642 82 V HN 0.104 nan 8.190 nan 0.000 0.446 83 V N 0.531 120.161 119.914 -0.473 0.000 2.324 83 V HA -0.324 3.796 4.120 -0.001 0.000 0.250 83 V C 2.738 178.507 176.094 -0.542 0.000 1.060 83 V CA 2.194 64.160 62.300 -0.556 0.000 1.042 83 V CB -1.284 30.158 31.823 -0.635 0.000 0.650 83 V HN 0.581 nan 8.190 nan 0.000 0.450 84 A N 0.331 122.963 122.820 -0.313 0.000 2.024 84 A HA -0.098 4.222 4.320 -0.001 0.000 0.220 84 A C 2.254 179.799 177.584 -0.066 0.000 1.164 84 A CA 1.846 53.807 52.037 -0.127 0.000 0.643 84 A CB -0.901 18.063 19.000 -0.061 0.000 0.806 84 A HN 0.589 nan 8.150 nan 0.000 0.451 85 G N -0.951 107.779 108.800 -0.117 0.000 2.985 85 G HA2 0.290 4.249 3.960 -0.001 0.000 0.209 85 G HA3 0.290 4.249 3.960 -0.001 0.000 0.209 85 G C 0.524 175.380 174.900 -0.073 0.000 1.165 85 G CA -0.235 44.823 45.100 -0.070 0.000 0.776 85 G HN 0.451 nan 8.290 nan 0.000 0.541 86 I N 1.985 122.468 120.570 -0.145 0.000 2.556 86 I HA 0.136 4.305 4.170 -0.001 0.000 0.284 86 I C -1.947 174.153 176.117 -0.029 0.000 1.114 86 I CA -1.798 59.407 61.300 -0.159 0.000 1.418 86 I CB 1.198 38.978 38.000 -0.367 0.000 1.394 86 I HN -0.088 nan 8.210 nan 0.000 0.552 87 P HA 0.094 nan 4.420 nan 0.000 0.264 87 P C -0.599 176.678 177.300 -0.038 0.000 1.193 87 P CA 0.040 63.128 63.100 -0.021 0.000 0.763 87 P CB 0.366 32.063 31.700 -0.004 0.000 0.810 88 L N 1.768 122.959 121.223 -0.052 0.000 2.456 88 L HA 0.464 4.803 4.340 -0.001 0.000 0.257 88 L C 1.838 178.736 176.870 0.048 0.000 1.162 88 L CA 0.372 55.188 54.840 -0.040 0.000 0.808 88 L CB -0.205 41.775 42.059 -0.131 0.000 1.136 88 L HN 0.731 nan 8.230 nan 0.000 0.466 89 G N 0.962 109.820 108.800 0.096 0.000 2.258 89 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.233 89 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.233 89 G C -0.525 174.429 174.900 0.090 0.000 1.006 89 G CA -0.048 45.099 45.100 0.079 0.000 0.620 89 G HN 0.379 nan 8.290 nan 0.000 0.511 90 L N 1.370 122.673 121.223 0.133 0.000 2.334 90 L HA 0.747 5.086 4.340 -0.001 0.000 0.273 90 L C -0.062 176.925 176.870 0.194 0.000 1.013 90 L CA -0.709 54.207 54.840 0.126 0.000 0.816 90 L CB 1.685 43.807 42.059 0.106 0.000 1.278 90 L HN 0.186 nan 8.230 nan 0.000 0.431 91 D N 1.459 121.910 120.400 0.085 0.000 2.458 91 D HA 0.119 4.758 4.640 -0.001 0.000 0.243 91 D C 0.237 176.576 176.300 0.065 0.000 1.146 91 D CA 0.730 54.725 54.000 -0.008 0.000 0.877 91 D CB 0.404 41.185 40.800 -0.030 0.000 1.176 91 D HN 0.604 nan 8.370 nan 0.000 0.461 92 H N 1.836 120.933 119.070 0.045 0.000 3.124 92 H HA 0.147 4.702 4.556 -0.002 0.000 0.250 92 H C 0.945 176.294 175.328 0.034 0.000 1.184 92 H CA -0.170 55.901 56.048 0.039 0.000 1.013 92 H CB -0.719 29.074 29.762 0.051 0.000 1.891 92 H HN 0.217 nan 8.280 nan 0.000 0.687 93 V N 1.701 121.538 119.914 -0.130 0.000 2.231 93 V HA -0.292 3.828 4.120 -0.001 0.000 0.248 93 V C 2.415 178.517 176.094 0.013 0.000 1.054 93 V CA 2.876 65.139 62.300 -0.062 0.000 1.015 93 V CB -0.726 31.052 31.823 -0.075 0.000 0.638 93 V HN 0.461 nan 8.190 nan 0.000 0.444 94 T N -0.502 114.061 114.554 0.015 0.000 2.788 94 T HA -0.224 4.126 4.350 -0.001 0.000 0.268 94 T C 2.003 176.730 174.700 0.045 0.000 1.044 94 T CA 1.663 63.779 62.100 0.026 0.000 1.139 94 T CB -0.315 68.564 68.868 0.019 0.000 0.867 94 T HN 0.410 nan 8.240 nan 0.000 0.454 95 R N 0.646 121.183 120.500 0.062 0.000 2.105 95 R HA -0.090 4.249 4.340 -0.001 0.000 0.239 95 R C 2.207 178.556 176.300 0.082 0.000 1.135 95 R CA 1.254 57.397 56.100 0.070 0.000 0.967 95 R CB -0.432 29.920 30.300 0.087 0.000 0.861 95 R HN 0.253 nan 8.270 nan 0.000 0.442 96 V N 0.662 120.639 119.914 0.104 0.000 2.407 96 V HA -0.176 3.943 4.120 -0.001 0.000 0.245 96 V C 2.292 178.473 176.094 0.145 0.000 1.041 96 V CA 1.634 64.009 62.300 0.126 0.000 1.040 96 V CB -0.398 31.510 31.823 0.142 0.000 0.671 96 V HN 0.402 nan 8.190 nan 0.000 0.455 97 Q N -0.292 119.563 119.800 0.090 0.000 2.096 97 Q HA -0.253 4.086 4.340 -0.001 0.000 0.204 97 Q C 2.294 178.318 176.000 0.040 0.000 0.982 97 Q CA 2.027 57.864 55.803 0.057 0.000 0.850 97 Q CB -0.100 28.656 28.738 0.031 0.000 0.901 97 Q HN 0.685 nan 8.270 nan 0.000 0.422 98 E N 0.062 120.289 120.200 0.045 0.000 2.072 98 E HA -0.197 4.152 4.350 -0.001 0.000 0.191 98 E C 1.948 178.572 176.600 0.041 0.000 0.985 98 E CA 0.839 57.258 56.400 0.032 0.000 0.801 98 E CB -0.065 29.654 29.700 0.031 0.000 0.750 98 E HN 0.193 nan 8.360 nan 0.000 0.452 99 L N 0.847 122.126 121.223 0.093 0.000 2.083 99 L HA -0.125 4.214 4.340 -0.001 0.000 0.209 99 L C 2.182 179.134 176.870 0.137 0.000 1.083 99 L CA 1.793 56.725 54.840 0.154 0.000 0.752 99 L CB -0.406 41.788 42.059 0.224 0.000 0.899 99 L HN 0.035 nan 8.230 nan 0.000 0.433 100 A N -0.980 121.898 122.820 0.097 0.000 1.877 100 A HA -0.278 4.041 4.320 -0.001 0.000 0.216 100 A C 2.261 179.640 177.584 -0.342 0.000 1.186 100 A CA 1.737 53.584 52.037 -0.316 0.000 0.620 100 A CB -0.759 18.105 19.000 -0.227 0.000 0.822 100 A HN 0.555 nan 8.150 nan 0.000 0.443 101 Q N 0.880 120.580 119.800 -0.167 0.000 2.096 101 Q HA -0.155 4.184 4.340 -0.001 0.000 0.204 101 Q C 2.195 178.125 176.000 -0.116 0.000 0.982 101 Q CA 2.758 58.482 55.803 -0.132 0.000 0.850 101 Q CB -0.500 28.205 28.738 -0.056 0.000 0.901 101 Q HN 0.725 nan 8.270 nan 0.000 0.422 102 S N -1.900 113.754 115.700 -0.077 0.000 2.446 102 S HA 0.057 4.526 4.470 -0.001 0.000 0.225 102 S C 1.913 176.474 174.600 -0.065 0.000 1.016 102 S CA 0.814 58.983 58.200 -0.050 0.000 0.943 102 S CB -0.108 63.084 63.200 -0.013 0.000 0.786 102 S HN 0.280 nan 8.310 nan 0.000 0.508 103 S N 1.205 116.843 115.700 -0.103 0.000 2.456 103 S HA 0.397 4.866 4.470 -0.001 0.000 0.224 103 S C 1.436 175.918 174.600 -0.197 0.000 1.035 103 S CA 0.407 58.544 58.200 -0.105 0.000 0.940 103 S CB -0.122 63.053 63.200 -0.041 0.000 0.799 103 S HN 0.469 nan 8.310 nan 0.000 0.508 104 L N -0.025 120.993 121.223 -0.342 0.000 2.781 104 L HA 0.381 4.720 4.340 -0.001 0.000 0.245 104 L C 1.397 178.110 176.870 -0.262 0.000 1.118 104 L CA 0.231 54.841 54.840 -0.385 0.000 0.918 104 L CB -0.018 41.594 42.059 -0.744 0.000 1.246 104 L HN 0.411 nan 8.230 nan 0.000 0.526 105 G N 1.469 110.137 108.800 -0.220 0.000 2.179 105 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.257 105 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.257 105 G C 0.014 174.900 174.900 -0.024 0.000 1.010 105 G CA 0.932 45.972 45.100 -0.100 0.000 0.736 105 G HN 0.733 nan 8.290 nan 0.000 0.513 106 H N -3.540 115.477 119.070 -0.089 0.000 3.017 106 H HA 0.804 5.360 4.556 -0.001 0.000 0.346 106 H C -0.245 175.061 175.328 -0.035 0.000 1.286 106 H CA -0.311 55.707 56.048 -0.050 0.000 1.120 106 H CB 0.733 30.473 29.762 -0.037 0.000 1.860 106 H HN 0.166 nan 8.280 nan 0.000 0.542 107 T N 0.724 115.360 114.554 0.138 0.000 2.824 107 T HA 0.504 4.853 4.350 -0.001 0.000 0.277 107 T C -0.318 174.492 174.700 0.183 0.000 0.975 107 T CA -0.690 61.462 62.100 0.087 0.000 0.966 107 T CB 0.279 69.183 68.868 0.060 0.000 1.054 107 T HN 0.431 nan 8.240 nan 0.000 0.533 108 L N 3.116 124.367 121.223 0.047 0.000 2.346 108 L HA 0.483 4.823 4.340 -0.001 0.000 0.274 108 L C -2.074 174.700 176.870 -0.161 0.000 1.007 108 L CA -2.361 52.422 54.840 -0.096 0.000 0.818 108 L CB 2.008 44.039 42.059 -0.046 0.000 1.284 108 L HN 0.488 nan 8.230 nan 0.000 0.424 109 P HA 0.053 nan 4.420 nan 0.000 0.271 109 P C 0.065 177.296 177.300 -0.116 0.000 1.216 109 P CA -0.153 62.834 63.100 -0.189 0.000 0.771 109 P CB 0.819 32.377 31.700 -0.236 0.000 0.864 110 E N 3.045 123.208 120.200 -0.061 0.000 2.114 110 E HA -0.253 4.096 4.350 -0.001 0.000 0.199 110 E C 1.521 178.103 176.600 -0.029 0.000 1.008 110 E CA 1.870 58.248 56.400 -0.036 0.000 0.810 110 E CB -0.176 29.510 29.700 -0.024 0.000 0.739 110 E HN 0.723 nan 8.360 nan 0.000 0.456 111 E N 0.835 121.017 120.200 -0.029 0.000 2.338 111 E HA -0.115 4.234 4.350 -0.001 0.000 0.197 111 E C 2.049 178.651 176.600 0.002 0.000 1.007 111 E CA 0.482 56.877 56.400 -0.008 0.000 0.849 111 E CB -0.292 29.408 29.700 0.001 0.000 0.774 111 E HN 0.247 nan 8.360 nan 0.000 0.506 112 L N 0.626 121.836 121.223 -0.022 0.000 2.478 112 L HA 0.056 4.395 4.340 -0.001 0.000 0.223 112 L C 1.813 178.708 176.870 0.041 0.000 1.140 112 L CA 0.312 55.156 54.840 0.005 0.000 0.842 112 L CB 0.033 42.064 42.059 -0.047 0.000 0.953 112 L HN 0.251 nan 8.230 nan 0.000 0.452 113 L N -0.676 120.563 121.223 0.025 0.000 2.628 113 L HA 0.086 4.425 4.340 -0.001 0.000 0.229 113 L C 0.308 177.197 176.870 0.032 0.000 1.137 113 L CA 0.046 54.913 54.840 0.045 0.000 0.909 113 L CB -0.079 41.989 42.059 0.015 0.000 1.137 113 L HN 0.056 nan 8.230 nan 0.000 0.470 114 K N 1.331 121.753 120.400 0.036 0.000 2.250 114 K HA 0.160 4.479 4.320 -0.001 0.000 0.285 114 K C -0.614 176.031 176.600 0.075 0.000 1.097 114 K CA -0.517 55.793 56.287 0.038 0.000 0.913 114 K CB 0.562 33.082 32.500 0.033 0.000 1.179 114 K HN -0.066 nan 8.250 nan 0.000 0.462 115 D N 2.278 122.732 120.400 0.090 0.000 2.423 115 D HA -0.059 4.581 4.640 -0.001 0.000 0.238 115 D C 0.164 176.516 176.300 0.087 0.000 1.142 115 D CA 0.205 54.262 54.000 0.095 0.000 0.884 115 D CB 0.496 41.340 40.800 0.075 0.000 1.199 115 D HN 0.536 nan 8.370 nan 0.000 0.438 116 N N 0.758 119.500 118.700 0.071 0.000 2.487 116 N HA 0.118 4.857 4.740 -0.001 0.000 0.292 116 N C 1.261 176.829 175.510 0.096 0.000 1.108 116 N CA -0.981 52.135 53.050 0.110 0.000 0.956 116 N CB 0.820 39.367 38.487 0.100 0.000 1.176 116 N HN 0.556 nan 8.380 nan 0.000 0.484 117 W N 2.865 124.163 121.300 -0.005 0.000 2.364 117 W HA -0.083 4.577 4.660 0.000 0.000 0.281 117 W C 0.435 176.945 176.519 -0.014 0.000 1.219 117 W CA 0.564 57.903 57.345 -0.011 0.000 1.220 117 W CB -0.798 28.660 29.460 -0.005 0.000 1.127 117 W HN 0.527 nan 8.180 nan 0.000 0.556 118 I N 1.903 121.950 120.570 -0.872 0.000 2.364 118 I HA -0.189 3.981 4.170 -0.001 0.000 0.241 118 I C 2.729 178.613 176.117 -0.387 0.000 1.082 118 I CA 1.916 62.697 61.300 -0.865 0.000 1.401 118 I CB -0.629 36.798 38.000 -0.955 0.000 1.126 118 I HN -0.053 nan 8.210 nan 0.000 0.429 119 S N 0.164 115.712 115.700 -0.253 0.000 2.575 119 S HA 0.359 4.828 4.470 -0.001 0.000 0.215 119 S C 1.074 175.607 174.600 -0.111 0.000 0.966 119 S CA 0.176 58.286 58.200 -0.150 0.000 0.911 119 S CB -0.220 62.922 63.200 -0.098 0.000 0.780 119 S HN 0.659 nan 8.310 nan 0.000 0.514 120 G N 1.845 110.571 108.800 -0.122 0.000 2.553 120 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.242 120 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.242 120 G C -0.491 174.348 174.900 -0.101 0.000 1.277 120 G CA -0.223 44.772 45.100 -0.176 0.000 0.910 120 G HN 0.642 nan 8.290 nan 0.000 0.576 121 H N 0.738 119.828 119.070 0.032 0.000 3.092 121 H HA 0.050 4.606 4.556 -0.001 0.000 0.332 121 H C 1.099 176.457 175.328 0.049 0.000 1.029 121 H CA 0.871 56.951 56.048 0.054 0.000 1.376 121 H CB 0.247 30.019 29.762 0.017 0.000 1.329 121 H HN 0.517 nan 8.280 nan 0.000 0.598 122 N N 3.587 122.405 118.700 0.197 0.000 3.178 122 N HA 0.003 4.742 4.740 -0.001 0.000 0.300 122 N C 1.028 176.629 175.510 0.151 0.000 1.242 122 N CA -0.068 53.068 53.050 0.142 0.000 1.192 122 N CB -0.594 37.967 38.487 0.124 0.000 1.463 122 N HN 0.480 nan 8.380 nan 0.000 0.539 123 L N 0.769 122.075 121.223 0.139 0.000 2.093 123 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 123 L C 2.106 179.081 176.870 0.174 0.000 1.085 123 L CA 1.014 55.932 54.840 0.131 0.000 0.755 123 L CB -0.154 41.952 42.059 0.077 0.000 0.904 123 L HN 0.329 nan 8.230 nan 0.000 0.435 124 K N 0.249 120.736 120.400 0.145 0.000 2.026 124 K HA -0.110 4.209 4.320 -0.001 0.000 0.208 124 K C 2.197 178.948 176.600 0.251 0.000 1.048 124 K CA 1.378 57.772 56.287 0.178 0.000 0.929 124 K CB -0.530 32.039 32.500 0.116 0.000 0.713 124 K HN 0.379 nan 8.250 nan 0.000 0.439 125 G N 1.404 110.324 108.800 0.201 0.000 2.421 125 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.216 125 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.216 125 G C 1.528 176.570 174.900 0.237 0.000 1.171 125 G CA 0.719 45.939 45.100 0.199 0.000 0.775 125 G HN 0.129 nan 8.290 nan 0.000 0.543 126 I N -0.328 120.386 120.570 0.240 0.000 2.252 126 I HA -0.086 4.083 4.170 -0.001 0.000 0.245 126 I C 2.405 178.727 176.117 0.342 0.000 1.102 126 I CA 0.847 62.318 61.300 0.286 0.000 1.385 126 I CB -0.282 37.883 38.000 0.275 0.000 1.064 126 I HN 0.175 nan 8.210 nan 0.000 0.414 127 F N 1.908 121.977 119.950 0.199 0.000 2.091 127 F HA -0.232 4.294 4.527 -0.001 0.000 0.299 127 F C 2.290 178.184 175.800 0.158 0.000 1.103 127 F CA 1.947 60.053 58.000 0.177 0.000 1.228 127 F CB -0.883 38.197 39.000 0.134 0.000 0.984 127 F HN 0.009 nan 8.300 nan 0.000 0.477 128 G N -1.508 107.368 108.800 0.126 0.000 2.404 128 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.215 128 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.215 128 G C 1.570 176.448 174.900 -0.037 0.000 1.174 128 G CA 0.861 45.954 45.100 -0.010 0.000 0.780 128 G HN 0.515 nan 8.290 nan 0.000 0.537 129 Y N 1.924 122.214 120.300 -0.018 0.000 2.070 129 Y HA -0.066 4.483 4.550 -0.001 0.000 0.280 129 Y C 3.012 178.855 175.900 -0.095 0.000 1.148 129 Y CA 1.906 59.986 58.100 -0.033 0.000 1.125 129 Y CB -0.432 38.047 38.460 0.031 0.000 0.975 129 Y HN 0.244 nan 8.280 nan 0.000 0.492 130 A N -0.999 121.884 122.820 0.105 0.000 1.978 130 A HA -0.206 4.113 4.320 -0.001 0.000 0.220 130 A C 2.195 179.637 177.584 -0.236 0.000 1.170 130 A CA 2.312 54.361 52.037 0.020 0.000 0.636 130 A CB -1.284 17.792 19.000 0.127 0.000 0.810 130 A HN 0.545 nan 8.150 nan 0.000 0.448 131 T N -0.066 114.294 114.554 -0.323 0.000 2.857 131 T HA 0.091 4.440 4.350 -0.001 0.000 0.266 131 T C 2.231 176.719 174.700 -0.352 0.000 1.048 131 T CA 1.276 63.163 62.100 -0.356 0.000 1.139 131 T CB -0.342 68.242 68.868 -0.473 0.000 0.874 131 T HN 0.590 nan 8.240 nan 0.000 0.455 132 A N 2.105 124.708 122.820 -0.362 0.000 1.877 132 A HA -0.108 4.212 4.320 -0.001 0.000 0.216 132 A C 2.296 179.601 177.584 -0.464 0.000 1.186 132 A CA 1.192 53.005 52.037 -0.373 0.000 0.620 132 A CB -0.322 18.473 19.000 -0.343 0.000 0.822 132 A HN 0.209 nan 8.150 nan 0.000 0.443 133 K N 0.034 120.073 120.400 -0.601 0.000 2.063 133 K HA -0.135 4.184 4.320 -0.001 0.000 0.208 133 K C 2.243 178.542 176.600 -0.501 0.000 1.048 133 K CA 1.393 57.306 56.287 -0.623 0.000 0.928 133 K CB -0.821 31.100 32.500 -0.965 0.000 0.713 133 K HN 0.473 nan 8.250 nan 0.000 0.442 134 A N 1.424 123.911 122.820 -0.556 0.000 1.902 134 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 134 A C 2.208 179.360 177.584 -0.720 0.000 1.181 134 A CA 1.274 52.867 52.037 -0.739 0.000 0.623 134 A CB -0.524 17.728 19.000 -1.246 0.000 0.818 134 A HN 0.220 nan 8.150 nan 0.000 0.443 135 L N -0.185 120.681 121.223 -0.595 0.000 2.017 135 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 135 L C 2.478 179.154 176.870 -0.324 0.000 1.073 135 L CA 2.814 57.455 54.840 -0.331 0.000 0.745 135 L CB -1.217 40.603 42.059 -0.398 0.000 0.894 135 L HN 0.386 nan 8.230 nan 0.000 0.432 136 T N 0.072 114.434 114.554 -0.320 0.000 2.652 136 T HA -0.223 4.127 4.350 -0.001 0.000 0.267 136 T C 1.899 176.483 174.700 -0.194 0.000 1.039 136 T CA 1.669 63.624 62.100 -0.241 0.000 1.153 136 T CB -0.683 68.040 68.868 -0.241 0.000 0.863 136 T HN 0.528 nan 8.240 nan 0.000 0.428 137 A N 1.354 124.045 122.820 -0.215 0.000 1.902 137 A HA 0.137 4.457 4.320 -0.001 0.000 0.217 137 A C 2.636 180.163 177.584 -0.097 0.000 1.181 137 A CA 1.922 53.866 52.037 -0.155 0.000 0.623 137 A CB -1.093 17.812 19.000 -0.158 0.000 0.818 137 A HN 0.525 nan 8.150 nan 0.000 0.443 138 A N -0.298 122.479 122.820 -0.071 0.000 1.898 138 A HA -0.081 4.238 4.320 -0.001 0.000 0.216 138 A C 2.450 180.108 177.584 0.123 0.000 1.181 138 A CA 2.475 54.569 52.037 0.093 0.000 0.620 138 A CB -1.349 17.735 19.000 0.140 0.000 0.819 138 A HN 0.758 nan 8.150 nan 0.000 0.442 139 T N -2.149 112.396 114.554 -0.015 0.000 2.857 139 T HA -0.092 4.258 4.350 -0.001 0.000 0.266 139 T C 1.609 176.311 174.700 0.003 0.000 1.048 139 T CA 1.435 63.529 62.100 -0.010 0.000 1.139 139 T CB -0.331 68.467 68.868 -0.117 0.000 0.874 139 T HN 0.599 nan 8.240 nan 0.000 0.455 140 E N 1.052 121.225 120.200 -0.045 0.000 2.047 140 E HA -0.176 4.173 4.350 -0.001 0.000 0.191 140 E C 2.455 178.995 176.600 -0.100 0.000 0.987 140 E CA 1.169 57.533 56.400 -0.060 0.000 0.799 140 E CB -0.222 29.432 29.700 -0.077 0.000 0.752 140 E HN 0.653 nan 8.360 nan 0.000 0.449 141 Q N -0.033 119.670 119.800 -0.162 0.000 2.112 141 Q HA -0.172 4.167 4.340 -0.001 0.000 0.206 141 Q C 1.001 176.683 176.000 -0.530 0.000 0.987 141 Q CA 1.513 57.085 55.803 -0.386 0.000 0.858 141 Q CB 0.001 28.410 28.738 -0.549 0.000 0.905 141 Q HN 0.237 nan 8.270 nan 0.000 0.420 142 F N 0.102 120.045 119.950 -0.011 0.000 2.647 142 F HA 0.276 4.802 4.527 -0.001 0.000 0.300 142 F C 0.541 176.340 175.800 -0.001 0.000 1.106 142 F CA -0.537 57.462 58.000 -0.002 0.000 1.313 142 F CB 0.719 39.725 39.000 0.010 0.000 1.007 142 F HN -0.121 nan 8.300 nan 0.000 0.536 143 S N 1.587 117.334 115.700 0.077 0.000 2.549 143 S HA 0.585 5.054 4.470 -0.001 0.000 0.286 143 S C 0.398 175.026 174.600 0.046 0.000 1.314 143 S CA -0.151 58.084 58.200 0.058 0.000 1.062 143 S CB 0.331 63.544 63.200 0.023 0.000 0.865 143 S HN 0.496 nan 8.310 nan 0.000 0.498 152 D N 0.423 120.808 120.400 -0.026 0.000 2.117 152 D HA -0.132 4.507 4.640 -0.001 0.000 0.198 152 D C 2.351 178.625 176.300 -0.043 0.000 0.982 152 D CA 2.253 56.230 54.000 -0.039 0.000 0.828 152 D CB 0.126 40.902 40.800 -0.041 0.000 0.967 152 D HN 0.449 nan 8.370 nan 0.000 0.464 153 S N 0.749 116.432 115.700 -0.027 0.000 2.402 153 S HA -0.368 4.101 4.470 -0.001 0.000 0.281 153 S C 2.101 176.690 174.600 -0.020 0.000 1.097 153 S CA 3.207 61.397 58.200 -0.016 0.000 1.368 153 S CB -0.766 62.433 63.200 -0.000 0.000 1.255 153 S HN 0.322 nan 8.310 nan 0.000 0.450 154 A N -0.145 122.669 122.820 -0.010 0.000 1.968 154 A HA 0.105 4.424 4.320 -0.001 0.000 0.217 154 A C 2.479 180.047 177.584 -0.027 0.000 1.169 154 A CA 1.934 53.969 52.037 -0.004 0.000 0.638 154 A CB -1.158 17.845 19.000 0.004 0.000 0.812 154 A HN 0.689 nan 8.150 nan 0.000 0.446 155 S N -0.555 115.124 115.700 -0.036 0.000 2.387 155 S HA 0.055 4.524 4.470 -0.001 0.000 0.226 155 S C 2.148 176.710 174.600 -0.063 0.000 1.026 155 S CA 1.304 59.482 58.200 -0.036 0.000 0.972 155 S CB -0.347 62.830 63.200 -0.039 0.000 0.814 155 S HN 0.731 nan 8.310 nan 0.000 0.477 156 A N 1.222 123.965 122.820 -0.127 0.000 1.897 156 A HA 0.088 4.408 4.320 -0.001 0.000 0.215 156 A C 2.006 179.262 177.584 -0.548 0.000 1.181 156 A CA 1.226 53.097 52.037 -0.276 0.000 0.620 156 A CB -0.639 18.209 19.000 -0.254 0.000 0.821 156 A HN 0.604 nan 8.150 nan 0.000 0.443 157 I N -0.202 120.173 120.570 -0.325 0.000 2.315 157 I HA -0.130 4.039 4.170 -0.001 0.000 0.248 157 I C 2.675 178.726 176.117 -0.111 0.000 1.117 157 I CA 0.953 62.118 61.300 -0.225 0.000 1.404 157 I CB -0.649 37.358 38.000 0.012 0.000 1.071 157 I HN 0.354 nan 8.210 nan 0.000 0.419 158 G N 0.976 109.740 108.800 -0.060 0.000 2.440 158 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.218 158 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.218 158 G C 1.634 176.558 174.900 0.040 0.000 1.154 158 G CA 0.657 45.753 45.100 -0.007 0.000 0.767 158 G HN 0.341 nan 8.290 nan 0.000 0.552 159 F N 0.993 120.888 119.950 -0.091 0.000 2.134 159 F HA 0.041 4.567 4.527 -0.001 0.000 0.299 159 F C 2.373 178.282 175.800 0.183 0.000 1.097 159 F CA 1.186 59.190 58.000 0.005 0.000 1.264 159 F CB -0.300 38.693 39.000 -0.012 0.000 1.001 159 F HN 0.194 nan 8.300 nan 0.000 0.479 160 F N -0.159 119.800 119.950 0.016 0.000 2.102 160 F HA -0.248 4.278 4.527 -0.001 0.000 0.298 160 F C 2.348 178.036 175.800 -0.186 0.000 1.105 160 F CA 0.782 58.751 58.000 -0.052 0.000 1.239 160 F CB -0.705 38.324 39.000 0.047 0.000 0.991 160 F HN -0.057 nan 8.300 nan 0.000 0.474 161 L N 0.110 121.377 121.223 0.074 0.000 1.990 161 L HA -0.288 4.051 4.340 -0.001 0.000 0.213 161 L C 2.006 178.791 176.870 -0.142 0.000 1.072 161 L CA 1.370 56.183 54.840 -0.045 0.000 0.755 161 L CB -0.753 41.285 42.059 -0.035 0.000 0.889 161 L HN 0.096 nan 8.230 nan 0.000 0.432 162 D N -0.667 119.650 120.400 -0.139 0.000 2.221 162 D HA -0.169 4.470 4.640 -0.001 0.000 0.204 162 D C 2.078 178.219 176.300 -0.266 0.000 0.982 162 D CA 1.162 55.066 54.000 -0.161 0.000 0.857 162 D CB -0.296 40.447 40.800 -0.094 0.000 0.934 162 D HN 0.392 nan 8.370 nan 0.000 0.475 163 C N -0.786 118.267 119.300 -0.412 0.000 2.539 163 C HA 0.395 4.854 4.460 -0.001 0.000 0.268 163 C C 1.768 176.198 174.990 -0.933 0.000 1.395 163 C CA 0.473 59.161 59.018 -0.550 0.000 1.757 163 C CB -0.675 26.785 27.740 -0.467 0.000 1.851 163 C HN 0.554 nan 8.230 nan 0.000 0.545 164 G N -0.119 108.221 108.800 -0.768 0.000 2.135 164 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.183 164 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.183 164 G C -0.252 174.215 174.900 -0.721 0.000 1.004 164 G CA -0.525 44.164 45.100 -0.685 0.000 0.677 164 G HN 0.480 nan 8.290 nan 0.000 0.512 165 F N 0.879 120.701 119.950 -0.213 0.000 2.507 165 F HA 0.530 5.056 4.527 -0.001 0.000 0.325 165 F C 1.417 177.091 175.800 -0.209 0.000 1.116 165 F CA -0.824 56.986 58.000 -0.317 0.000 0.930 165 F CB 1.245 39.937 39.000 -0.514 0.000 1.146 165 F HN 0.235 nan 8.300 nan 0.000 0.447 166 H N 0.982 120.054 119.070 0.004 0.000 2.586 166 H HA 0.692 5.247 4.556 -0.001 0.000 0.273 166 H C -0.312 174.933 175.328 -0.138 0.000 0.997 166 H CA 0.130 56.121 56.048 -0.095 0.000 1.177 166 H CB 0.471 30.154 29.762 -0.131 0.000 1.471 166 H HN 0.545 nan 8.280 nan 0.000 0.538 167 A N 0.862 123.514 122.820 -0.280 0.000 2.594 167 A HA 0.529 4.849 4.320 -0.001 0.000 0.295 167 A C -1.531 175.649 177.584 -0.672 0.000 1.071 167 A CA -0.593 51.222 52.037 -0.370 0.000 0.685 167 A CB 2.170 20.886 19.000 -0.473 0.000 1.285 167 A HN 0.084 nan 8.150 nan 0.000 0.405 168 V N 2.456 121.956 119.914 -0.689 0.000 2.380 168 V HA 0.434 4.553 4.120 -0.001 0.000 0.286 168 V C -1.212 174.618 176.094 -0.440 0.000 1.015 168 V CA -0.422 61.449 62.300 -0.715 0.000 0.834 168 V CB 1.434 32.672 31.823 -0.974 0.000 1.009 168 V HN 0.872 nan 8.190 nan 0.000 0.428 169 D N 5.346 125.557 120.400 -0.315 0.000 2.425 169 D HA 0.531 5.170 4.640 -0.001 0.000 0.240 169 D C -0.733 175.507 176.300 -0.101 0.000 1.080 169 D CA -0.222 53.749 54.000 -0.048 0.000 0.836 169 D CB 1.443 42.320 40.800 0.129 0.000 1.125 169 D HN 0.443 nan 8.370 nan 0.000 0.525 170 I N 2.112 122.651 120.570 -0.052 0.000 2.406 170 I HA 0.259 4.428 4.170 -0.001 0.000 0.290 170 I C -0.073 176.025 176.117 -0.032 0.000 0.999 170 I CA -0.701 60.567 61.300 -0.054 0.000 1.124 170 I CB 2.000 39.994 38.000 -0.009 0.000 1.289 170 I HN 0.137 nan 8.210 nan 0.000 0.441 171 S N 7.614 123.281 115.700 -0.056 0.000 2.601 171 S HA 0.442 4.911 4.470 -0.001 0.000 0.312 171 S C -2.419 172.261 174.600 0.133 0.000 1.107 171 S CA -1.175 57.057 58.200 0.055 0.000 1.129 171 S CB 1.007 64.229 63.200 0.037 0.000 0.982 171 S HN 0.401 nan 8.310 nan 0.000 0.469 172 P HA 0.328 nan 4.420 nan 0.000 0.280 172 P C 0.087 177.477 177.300 0.150 0.000 1.272 172 P CA -0.786 62.390 63.100 0.126 0.000 0.819 172 P CB 0.613 32.351 31.700 0.065 0.000 1.122 173 C N 0.652 120.059 119.300 0.177 0.000 2.679 173 C HA 0.292 4.752 4.460 -0.001 0.000 0.417 173 C C 2.317 177.304 174.990 -0.004 0.000 1.302 173 C CA 0.571 59.689 59.018 0.166 0.000 1.973 173 C CB -1.173 26.764 27.740 0.328 0.000 2.715 173 C HN 0.708 nan 8.230 nan 0.000 0.628 174 A N 3.088 125.840 122.820 -0.113 0.000 2.070 174 A HA -0.043 4.276 4.320 -0.001 0.000 0.220 174 A C 1.189 178.510 177.584 -0.438 0.000 1.159 174 A CA 1.131 52.890 52.037 -0.464 0.000 0.656 174 A CB -0.629 17.883 19.000 -0.813 0.000 0.800 174 A HN 0.993 nan 8.150 nan 0.000 0.453 175 D N 0.032 120.384 120.400 -0.080 0.000 2.658 175 D HA 0.027 4.667 4.640 -0.001 0.000 0.230 175 D C 1.472 177.747 176.300 -0.041 0.000 1.118 175 D CA 0.933 54.989 54.000 0.094 0.000 0.848 175 D CB 0.733 41.484 40.800 -0.081 0.000 1.160 175 D HN 0.149 nan 8.370 nan 0.000 0.497 176 G N 4.631 113.481 108.800 0.083 0.000 2.485 176 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.221 176 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.221 176 G C 1.441 176.246 174.900 -0.158 0.000 1.115 176 G CA 0.619 45.700 45.100 -0.031 0.000 0.751 176 G HN 0.682 nan 8.290 nan 0.000 0.567 177 R N 0.271 120.631 120.500 -0.234 0.000 2.323 177 R HA 0.204 4.544 4.340 -0.001 0.000 0.198 177 R C 1.235 177.366 176.300 -0.282 0.000 0.988 177 R CA 0.338 56.256 56.100 -0.304 0.000 1.041 177 R CB -0.365 29.718 30.300 -0.361 0.000 0.926 177 R HN 0.388 nan 8.270 nan 0.000 0.476 178 L N 0.475 121.551 121.223 -0.245 0.000 2.728 178 L HA 0.212 4.551 4.340 -0.001 0.000 0.238 178 L C 1.775 178.581 176.870 -0.106 0.000 1.143 178 L CA -0.146 54.591 54.840 -0.172 0.000 0.937 178 L CB 0.190 42.157 42.059 -0.152 0.000 1.225 178 L HN -0.007 nan 8.230 nan 0.000 0.507 179 K N 1.475 121.804 120.400 -0.119 0.000 2.209 179 K HA -0.063 4.256 4.320 -0.001 0.000 0.204 179 K C 1.721 178.285 176.600 -0.060 0.000 1.048 179 K CA 1.226 57.467 56.287 -0.076 0.000 0.940 179 K CB -0.281 32.154 32.500 -0.107 0.000 0.729 179 K HN 0.204 nan 8.250 nan 0.000 0.451 180 G N 0.209 108.946 108.800 -0.104 0.000 3.181 180 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.219 180 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.219 180 G C 1.074 176.015 174.900 0.068 0.000 1.182 180 G CA 0.094 45.177 45.100 -0.027 0.000 0.791 180 G HN 0.280 nan 8.290 nan 0.000 0.537 181 L N -0.048 121.182 121.223 0.012 0.000 1.997 181 L HA -0.124 4.215 4.340 -0.001 0.000 0.216 181 L C 2.522 179.412 176.870 0.033 0.000 1.074 181 L CA 1.803 56.652 54.840 0.014 0.000 0.763 181 L CB -0.264 41.799 42.059 0.006 0.000 0.890 181 L HN 0.197 nan 8.230 nan 0.000 0.434 182 L N -0.701 120.547 121.223 0.041 0.000 2.007 182 L HA -0.039 4.300 4.340 -0.001 0.000 0.205 182 L C -0.456 176.415 176.870 0.003 0.000 1.073 182 L CA 2.039 56.898 54.840 0.031 0.000 0.744 182 L CB -2.078 40.004 42.059 0.037 0.000 0.898 182 L HN 0.247 nan 8.230 nan 0.000 0.435 183 P HA -0.042 nan 4.420 nan 0.000 0.230 183 P C 0.736 177.858 177.300 -0.295 0.000 1.168 183 P CA 1.271 64.281 63.100 -0.150 0.000 0.793 183 P CB 0.130 31.711 31.700 -0.198 0.000 0.851 184 Y N -1.140 119.075 120.300 -0.141 0.000 2.331 184 Y HA 0.201 4.751 4.550 -0.001 0.000 0.282 184 Y C 2.361 178.173 175.900 -0.147 0.000 1.140 184 Y CA 0.373 58.351 58.100 -0.203 0.000 1.198 184 Y CB -0.980 37.323 38.460 -0.262 0.000 1.159 184 Y HN -0.316 nan 8.280 nan 0.000 0.512 185 I N -0.002 120.610 120.570 0.071 0.000 2.226 185 I HA -0.260 3.909 4.170 -0.001 0.000 0.245 185 I C 1.605 177.713 176.117 -0.015 0.000 1.100 185 I CA 1.693 63.000 61.300 0.011 0.000 1.374 185 I CB -0.276 37.719 38.000 -0.008 0.000 1.057 185 I HN 0.244 nan 8.210 nan 0.000 0.413 186 L N -0.666 120.546 121.223 -0.018 0.000 2.575 186 L HA 0.211 4.550 4.340 -0.001 0.000 0.228 186 L C 0.355 177.196 176.870 -0.049 0.000 1.075 186 L CA -0.109 54.711 54.840 -0.033 0.000 0.867 186 L CB 0.155 42.205 42.059 -0.015 0.000 1.097 186 L HN 0.143 nan 8.230 nan 0.000 0.485 187 R N 0.820 121.286 120.500 -0.056 0.000 3.336 187 R HA -0.159 4.180 4.340 -0.001 0.000 0.260 187 R C -0.773 175.499 176.300 -0.048 0.000 1.032 187 R CA 0.292 56.343 56.100 -0.080 0.000 0.693 187 R CB -2.262 27.979 30.300 -0.098 0.000 1.134 187 R HN 0.106 nan 8.270 nan 0.000 0.433 188 L N 2.435 123.657 121.223 -0.002 0.000 2.275 188 L HA 0.449 4.788 4.340 -0.001 0.000 0.288 188 L C -1.402 175.503 176.870 0.058 0.000 1.046 188 L CA -2.019 52.864 54.840 0.073 0.000 0.805 188 L CB 1.039 43.181 42.059 0.138 0.000 1.193 188 L HN 0.005 nan 8.230 nan 0.000 0.426 189 P HA 0.132 nan 4.420 nan 0.000 0.274 189 P C -0.834 176.497 177.300 0.052 0.000 1.231 189 P CA -0.667 62.442 63.100 0.015 0.000 0.790 189 P CB 0.781 32.465 31.700 -0.028 0.000 0.951 190 L N 2.360 123.599 121.223 0.028 0.000 2.360 190 L HA 0.374 4.714 4.340 -0.001 0.000 0.276 190 L C 1.327 178.212 176.870 0.024 0.000 1.121 190 L CA 0.862 55.721 54.840 0.032 0.000 0.845 190 L CB -0.255 41.816 42.059 0.021 0.000 1.143 190 L HN 0.622 nan 8.230 nan 0.000 0.452 191 T N -0.830 113.743 114.554 0.031 0.000 2.841 191 T HA 0.656 5.006 4.350 -0.001 0.000 0.296 191 T C 0.748 175.409 174.700 -0.065 0.000 1.166 191 T CA -0.225 61.887 62.100 0.019 0.000 1.007 191 T CB 1.377 70.303 68.868 0.098 0.000 1.253 191 T HN 0.450 nan 8.240 nan 0.000 0.511 192 A N 0.023 122.740 122.820 -0.172 0.000 2.178 192 A HA 0.256 4.575 4.320 -0.001 0.000 0.218 192 A C 0.834 177.969 177.584 -0.748 0.000 1.157 192 A CA 0.759 52.523 52.037 -0.456 0.000 0.689 192 A CB -0.984 17.624 19.000 -0.653 0.000 0.787 192 A HN 0.739 nan 8.150 nan 0.000 0.465 193 F N -0.873 119.008 119.950 -0.115 0.000 2.764 193 F HA 0.220 4.747 4.527 -0.001 0.000 0.310 193 F C 0.145 175.569 175.800 -0.626 0.000 1.124 193 F CA -0.170 57.628 58.000 -0.336 0.000 1.252 193 F CB 0.549 39.528 39.000 -0.036 0.000 1.010 193 F HN -0.158 nan 8.300 nan 0.000 0.518 194 T N 0.627 114.917 114.554 -0.440 0.000 2.788 194 T HA 0.430 4.779 4.350 -0.001 0.000 0.296 194 T C -0.794 173.661 174.700 -0.408 0.000 1.009 194 T CA -0.278 61.624 62.100 -0.329 0.000 0.949 194 T CB 0.427 69.329 68.868 0.057 0.000 0.946 194 T HN -0.002 nan 8.240 nan 0.000 0.453 195 Y N 2.626 122.921 120.300 -0.010 0.000 2.420 195 Y HA 0.733 5.282 4.550 -0.001 0.000 0.334 195 Y C 0.729 176.616 175.900 -0.022 0.000 1.094 195 Y CA -1.548 56.541 58.100 -0.018 0.000 1.126 195 Y CB 1.352 39.797 38.460 -0.024 0.000 1.217 195 Y HN 0.374 nan 8.280 nan 0.000 0.462 196 R N 1.517 122.112 120.500 0.158 0.000 2.518 196 R HA 0.469 4.808 4.340 -0.001 0.000 0.296 196 R C -2.112 174.283 176.300 0.159 0.000 1.080 196 R CA -1.155 55.018 56.100 0.121 0.000 0.922 196 R CB 0.960 31.325 30.300 0.107 0.000 1.184 196 R HN 0.763 nan 8.270 nan 0.000 0.445 197 K N 2.463 122.911 120.400 0.079 0.000 2.656 197 K HA 0.555 4.875 4.320 -0.001 0.000 0.241 197 K C -1.018 175.571 176.600 -0.019 0.000 0.967 197 K CA -0.496 55.757 56.287 -0.057 0.000 0.946 197 K CB 2.360 34.716 32.500 -0.239 0.000 1.164 197 K HN 0.778 nan 8.250 nan 0.000 0.459 198 A N 2.871 125.492 122.820 -0.331 0.000 2.303 198 A HA 0.725 5.044 4.320 -0.001 0.000 0.317 198 A C -1.272 175.971 177.584 -0.567 0.000 1.149 198 A CA -0.273 51.581 52.037 -0.304 0.000 0.822 198 A CB 0.337 19.139 19.000 -0.330 0.000 1.131 198 A HN 0.622 nan 8.150 nan 0.000 0.493 199 Y N -0.233 120.005 120.300 -0.103 0.000 2.534 199 Y HA 0.529 5.078 4.550 -0.001 0.000 0.345 199 Y C 0.501 176.400 175.900 -0.001 0.000 1.031 199 Y CA -0.393 57.685 58.100 -0.036 0.000 1.022 199 Y CB 1.982 40.476 38.460 0.056 0.000 1.292 199 Y HN 0.905 nan 8.280 nan 0.000 0.459 200 A N 1.262 124.184 122.820 0.170 0.000 2.545 200 A HA 0.413 4.732 4.320 -0.001 0.000 0.253 200 A C 1.303 178.970 177.584 0.139 0.000 1.074 200 A CA 0.984 53.118 52.037 0.162 0.000 0.760 200 A CB -1.112 17.994 19.000 0.176 0.000 1.005 200 A HN 1.719 nan 8.150 nan 0.000 0.506 201 G N 1.726 110.611 108.800 0.142 0.000 2.155 201 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.257 201 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.257 201 G C 0.733 175.849 174.900 0.360 0.000 0.983 201 G CA 0.700 45.904 45.100 0.172 0.000 0.676 201 G HN 2.096 nan 8.290 nan 0.000 0.528 202 S N -1.936 113.940 115.700 0.293 0.000 3.361 202 S HA -0.208 4.261 4.470 -0.001 0.000 0.288 202 S C 0.907 175.646 174.600 0.232 0.000 1.269 202 S CA 1.459 59.841 58.200 0.304 0.000 0.976 202 S CB -0.999 62.384 63.200 0.305 0.000 1.162 202 S HN 0.731 nan 8.310 nan 0.000 0.643 203 M N 2.420 122.102 119.600 0.136 0.000 3.237 203 M HA 0.289 4.769 4.480 -0.001 0.000 0.266 203 M C 0.380 176.449 176.300 -0.386 0.000 1.456 203 M CA -0.046 55.196 55.300 -0.096 0.000 1.593 203 M CB -1.761 30.822 32.600 -0.030 0.000 1.129 203 M HN 0.373 nan 8.290 nan 0.000 0.547 204 F N -0.613 119.070 119.950 -0.444 0.000 2.440 204 F HA 0.329 4.856 4.527 -0.001 0.000 0.323 204 F C 0.495 175.827 175.800 -0.779 0.000 1.192 204 F CA -1.006 56.398 58.000 -0.994 0.000 1.252 204 F CB 0.210 38.915 39.000 -0.491 0.000 1.214 204 F HN 0.280 nan 8.300 nan 0.000 0.578 205 D N 2.131 122.184 120.400 -0.578 0.000 2.374 205 D HA 0.156 4.795 4.640 -0.001 0.000 0.240 205 D C 1.102 177.381 176.300 -0.035 0.000 1.229 205 D CA 0.078 53.959 54.000 -0.200 0.000 0.895 205 D CB 0.410 41.232 40.800 0.037 0.000 1.046 205 D HN 0.669 nan 8.370 nan 0.000 0.498 206 I N 2.885 123.402 120.570 -0.089 0.000 2.179 206 I HA -0.224 3.945 4.170 -0.001 0.000 0.242 206 I C 2.131 178.300 176.117 0.086 0.000 1.088 206 I CA 0.787 62.091 61.300 0.006 0.000 1.357 206 I CB 0.147 38.144 38.000 -0.005 0.000 1.051 206 I HN 0.388 nan 8.210 nan 0.000 0.409 207 E N 0.301 120.540 120.200 0.064 0.000 2.106 207 E HA -0.257 4.093 4.350 -0.001 0.000 0.192 207 E C 1.621 178.284 176.600 0.105 0.000 0.984 207 E CA 1.375 57.828 56.400 0.089 0.000 0.806 207 E CB -0.325 29.412 29.700 0.062 0.000 0.750 207 E HN 0.489 nan 8.360 nan 0.000 0.458 208 D N 0.836 121.290 120.400 0.091 0.000 2.097 208 D HA -0.130 4.509 4.640 -0.001 0.000 0.197 208 D C 1.376 177.726 176.300 0.082 0.000 0.984 208 D CA 1.045 55.109 54.000 0.107 0.000 0.826 208 D CB 0.052 40.946 40.800 0.157 0.000 0.973 208 D HN -0.046 nan 8.370 nan 0.000 0.460 209 D N -0.081 120.319 120.400 -0.000 0.000 2.144 209 D HA -0.128 4.512 4.640 -0.001 0.000 0.199 209 D C 2.109 178.505 176.300 0.159 0.000 0.984 209 D CA 0.283 54.201 54.000 -0.137 0.000 0.834 209 D CB -0.275 40.077 40.800 -0.747 0.000 0.955 209 D HN 0.248 nan 8.370 nan 0.000 0.465 210 L N 0.343 121.764 121.223 0.329 0.000 2.046 210 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 210 L C 2.200 179.263 176.870 0.321 0.000 1.077 210 L CA 1.397 56.480 54.840 0.405 0.000 0.747 210 L CB -0.257 41.979 42.059 0.294 0.000 0.896 210 L HN 0.009 nan 8.230 nan 0.000 0.432 211 A N -0.826 122.126 122.820 0.219 0.000 1.902 211 A HA -0.296 4.023 4.320 -0.001 0.000 0.217 211 A C 2.086 179.766 177.584 0.159 0.000 1.181 211 A CA 1.829 53.973 52.037 0.179 0.000 0.623 211 A CB -0.524 18.552 19.000 0.127 0.000 0.818 211 A HN 0.505 nan 8.150 nan 0.000 0.443 212 Q N -1.312 118.569 119.800 0.135 0.000 2.084 212 Q HA -0.197 4.142 4.340 -0.001 0.000 0.202 212 Q C 1.742 177.828 176.000 0.143 0.000 0.978 212 Q CA 2.068 57.936 55.803 0.109 0.000 0.844 212 Q CB -0.548 28.225 28.738 0.059 0.000 0.898 212 Q HN 0.746 nan 8.270 nan 0.000 0.426 213 W N 1.242 122.465 121.300 -0.128 0.000 2.318 213 W HA -0.219 4.440 4.660 -0.001 0.000 0.313 213 W C 1.658 178.145 176.519 -0.055 0.000 1.221 213 W CA 2.271 59.442 57.345 -0.289 0.000 1.266 213 W CB -0.122 29.124 29.460 -0.357 0.000 1.150 213 W HN 0.266 nan 8.180 nan 0.000 0.496 214 E N -0.064 120.264 120.200 0.214 0.000 2.051 214 E HA -0.297 4.053 4.350 -0.001 0.000 0.192 214 E C 2.107 178.677 176.600 -0.050 0.000 0.991 214 E CA 1.704 58.142 56.400 0.064 0.000 0.799 214 E CB -0.448 29.395 29.700 0.239 0.000 0.748 214 E HN 0.247 nan 8.360 nan 0.000 0.449 215 K N 0.745 121.163 120.400 0.030 0.000 2.063 215 K HA -0.192 4.127 4.320 -0.001 0.000 0.208 215 K C 1.778 178.394 176.600 0.027 0.000 1.048 215 K CA 1.612 57.922 56.287 0.039 0.000 0.928 215 K CB 0.057 32.601 32.500 0.072 0.000 0.713 215 K HN -0.029 nan 8.250 nan 0.000 0.442 216 N N 0.673 119.394 118.700 0.035 0.000 2.142 216 N HA -0.147 4.592 4.740 -0.001 0.000 0.186 216 N C 1.531 176.965 175.510 -0.127 0.000 1.023 216 N CA 1.255 54.357 53.050 0.086 0.000 0.852 216 N CB -0.122 38.561 38.487 0.327 0.000 0.998 216 N HN 0.223 nan 8.380 nan 0.000 0.424 217 E N 0.246 120.228 120.200 -0.363 0.000 2.110 217 E HA -0.077 4.273 4.350 -0.001 0.000 0.193 217 E C 1.709 178.228 176.600 -0.135 0.000 0.988 217 E CA 0.460 56.585 56.400 -0.458 0.000 0.804 217 E CB -0.265 28.893 29.700 -0.902 0.000 0.745 217 E HN 0.215 nan 8.360 nan 0.000 0.458 218 L N 0.734 121.913 121.223 -0.073 0.000 2.046 218 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 218 L C 2.326 179.228 176.870 0.054 0.000 1.077 218 L CA 1.816 56.681 54.840 0.042 0.000 0.747 218 L CB -0.412 41.654 42.059 0.012 0.000 0.896 218 L HN 0.035 nan 8.230 nan 0.000 0.432 219 R N -0.802 119.706 120.500 0.014 0.000 2.105 219 R HA -0.164 4.175 4.340 -0.001 0.000 0.239 219 R C 2.414 178.696 176.300 -0.029 0.000 1.135 219 R CA 1.495 57.610 56.100 0.025 0.000 0.967 219 R CB -0.095 30.250 30.300 0.076 0.000 0.861 219 R HN 0.379 nan 8.270 nan 0.000 0.442 220 R N -1.107 119.318 120.500 -0.125 0.000 2.073 220 R HA -0.168 4.172 4.340 -0.001 0.000 0.234 220 R C 2.145 178.313 176.300 -0.219 0.000 1.134 220 R CA 1.927 57.879 56.100 -0.246 0.000 0.952 220 R CB -0.459 29.574 30.300 -0.446 0.000 0.850 220 R HN 0.313 nan 8.270 nan 0.000 0.433 221 Y N 0.418 120.647 120.300 -0.118 0.000 2.145 221 Y HA -0.176 4.373 4.550 -0.001 0.000 0.286 221 Y C 2.588 178.457 175.900 -0.052 0.000 1.145 221 Y CA 1.477 59.530 58.100 -0.080 0.000 1.148 221 Y CB 0.038 38.454 38.460 -0.074 0.000 0.981 221 Y HN -0.017 nan 8.280 nan 0.000 0.507 222 R N -0.795 119.777 120.500 0.120 0.000 2.100 222 R HA -0.066 4.274 4.340 -0.001 0.000 0.220 222 R C 1.847 178.169 176.300 0.036 0.000 1.091 222 R CA 1.386 57.528 56.100 0.070 0.000 0.986 222 R CB -0.026 30.308 30.300 0.056 0.000 0.888 222 R HN 0.345 nan 8.270 nan 0.000 0.444 223 E N -0.792 119.420 120.200 0.020 0.000 2.485 223 E HA 0.068 4.417 4.350 -0.001 0.000 0.213 223 E C 0.204 176.796 176.600 -0.013 0.000 0.923 223 E CA 0.387 56.794 56.400 0.012 0.000 1.054 223 E CB 0.893 30.611 29.700 0.030 0.000 1.077 223 E HN 0.370 nan 8.360 nan 0.000 0.509 224 G N 1.468 110.239 108.800 -0.048 0.000 2.198 224 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.257 224 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.257 224 G C -0.204 174.647 174.900 -0.082 0.000 1.042 224 G CA 0.520 45.570 45.100 -0.083 0.000 0.791 224 G HN 0.166 nan 8.290 nan 0.000 0.502 225 V N 0.972 120.845 119.914 -0.069 0.000 2.487 225 V HA 0.497 4.616 4.120 -0.001 0.000 0.298 225 V C -0.770 175.216 176.094 -0.181 0.000 1.028 225 V CA -0.843 61.422 62.300 -0.059 0.000 0.860 225 V CB 2.212 34.084 31.823 0.082 0.000 0.991 225 V HN 0.112 nan 8.190 nan 0.000 0.427 226 P HA 0.056 nan 4.420 nan 0.000 0.245 226 P C -0.197 176.969 177.300 -0.224 0.000 1.206 226 P CA 0.653 63.511 63.100 -0.403 0.000 0.781 226 P CB 0.334 31.582 31.700 -0.753 0.000 0.994 227 N N -1.257 117.311 118.700 -0.220 0.000 2.934 227 N HA 0.145 4.884 4.740 -0.001 0.000 0.253 227 N C -0.853 174.540 175.510 -0.196 0.000 1.466 227 N CA -0.549 52.400 53.050 -0.168 0.000 0.858 227 N CB 0.133 38.533 38.487 -0.145 0.000 1.459 227 N HN -0.245 nan 8.380 nan 0.000 0.532 228 T N -3.624 110.827 114.554 -0.172 0.000 2.904 228 T HA 0.586 4.935 4.350 -0.001 0.000 0.290 228 T C 1.238 175.769 174.700 -0.281 0.000 1.018 228 T CA -0.176 61.804 62.100 -0.201 0.000 1.075 228 T CB 0.946 69.731 68.868 -0.140 0.000 0.986 228 T HN 0.760 nan 8.240 nan 0.000 0.523 229 A N 1.103 123.671 122.820 -0.421 0.000 2.209 229 A HA 0.047 4.367 4.320 -0.001 0.000 0.212 229 A C 1.645 179.010 177.584 -0.365 0.000 1.158 229 A CA 1.148 52.824 52.037 -0.601 0.000 0.742 229 A CB -0.983 17.179 19.000 -1.396 0.000 0.790 229 A HN 1.006 nan 8.150 nan 0.000 0.472 230 D N -1.187 119.075 120.400 -0.230 0.000 2.355 230 D HA -0.020 4.619 4.640 -0.001 0.000 0.218 230 D C 0.554 176.798 176.300 -0.093 0.000 1.004 230 D CA 0.096 54.023 54.000 -0.122 0.000 0.880 230 D CB -0.081 40.671 40.800 -0.080 0.000 0.911 230 D HN 0.219 nan 8.370 nan 0.000 0.528 231 Q N 1.170 120.903 119.800 -0.112 0.000 2.340 231 Q HA 0.174 4.513 4.340 -0.001 0.000 0.249 231 Q C -1.904 174.065 176.000 -0.051 0.000 0.957 231 Q CA -1.746 54.009 55.803 -0.079 0.000 0.882 231 Q CB 0.634 29.319 28.738 -0.088 0.000 1.235 231 Q HN 0.205 nan 8.270 nan 0.000 0.439 232 P HA 0.029 nan 4.420 nan 0.000 0.220 232 P C -0.552 176.733 177.300 -0.025 0.000 1.778 232 P CA 0.023 63.107 63.100 -0.026 0.000 0.912 232 P CB -0.390 31.288 31.700 -0.038 0.000 1.861 233 T N -1.460 113.110 114.554 0.028 0.000 2.952 233 T HA 0.661 5.011 4.350 -0.001 0.000 0.286 233 T C 0.060 174.852 174.700 0.153 0.000 1.024 233 T CA -0.890 61.243 62.100 0.056 0.000 1.029 233 T CB 2.135 71.076 68.868 0.120 0.000 1.094 233 T HN 0.047 nan 8.240 nan 0.000 0.515 234 R N -0.415 120.104 120.500 0.031 0.000 2.837 234 R HA 0.371 4.710 4.340 -0.001 0.000 0.271 234 R C -1.455 174.638 176.300 -0.345 0.000 0.993 234 R CA -0.948 55.158 56.100 0.011 0.000 0.931 234 R CB 1.950 32.318 30.300 0.113 0.000 1.206 234 R HN 0.749 nan 8.270 nan 0.000 0.474 235 Y N 1.804 121.878 120.300 -0.377 0.000 2.442 235 Y HA 0.140 4.689 4.550 -0.001 0.000 0.330 235 Y C -0.560 175.272 175.900 -0.114 0.000 1.129 235 Y CA -0.099 57.858 58.100 -0.238 0.000 1.365 235 Y CB 0.515 39.146 38.460 0.285 0.000 1.233 235 Y HN 0.349 nan 8.280 nan 0.000 0.529 236 L N 7.154 128.170 121.223 -0.345 0.000 2.296 236 L HA 0.448 4.787 4.340 -0.001 0.000 0.286 236 L C -1.293 175.425 176.870 -0.253 0.000 1.023 236 L CA -0.750 53.837 54.840 -0.420 0.000 0.812 236 L CB 1.062 42.477 42.059 -1.074 0.000 1.223 236 L HN 0.609 nan 8.230 nan 0.000 0.421 237 K N 5.444 125.830 120.400 -0.024 0.000 2.274 237 K HA 0.645 4.964 4.320 -0.001 0.000 0.262 237 K C -1.372 175.180 176.600 -0.080 0.000 0.961 237 K CA -0.235 56.062 56.287 0.018 0.000 0.833 237 K CB 0.768 33.425 32.500 0.260 0.000 1.102 237 K HN 0.654 nan 8.250 nan 0.000 0.436 238 I N 3.421 123.915 120.570 -0.128 0.000 2.404 238 I HA 0.539 4.708 4.170 -0.001 0.000 0.293 238 I C -0.376 175.715 176.117 -0.043 0.000 0.992 238 I CA -1.140 60.125 61.300 -0.059 0.000 1.149 238 I CB 2.046 40.023 38.000 -0.038 0.000 1.315 238 I HN 0.693 nan 8.210 nan 0.000 0.446 239 A N 6.102 128.957 122.820 0.058 0.000 2.337 239 A HA 0.828 5.147 4.320 -0.001 0.000 0.329 239 A C -0.814 176.873 177.584 0.173 0.000 1.146 239 A CA -0.523 51.596 52.037 0.137 0.000 0.800 239 A CB 1.474 20.634 19.000 0.265 0.000 1.220 239 A HN 0.449 nan 8.150 nan 0.000 0.472 240 V N 3.246 123.268 119.914 0.179 0.000 2.444 240 V HA 0.453 4.573 4.120 -0.001 0.000 0.294 240 V C -0.728 175.503 176.094 0.229 0.000 1.022 240 V CA -0.450 61.941 62.300 0.151 0.000 0.850 240 V CB 0.676 32.541 31.823 0.070 0.000 0.992 240 V HN 0.881 nan 8.190 nan 0.000 0.426 241 Y N 2.944 123.336 120.300 0.154 0.000 2.568 241 Y HA 0.935 5.484 4.550 -0.001 0.000 0.327 241 Y C -0.173 175.859 175.900 0.221 0.000 1.163 241 Y CA -0.983 57.219 58.100 0.169 0.000 1.219 241 Y CB 1.342 39.859 38.460 0.095 0.000 1.308 241 Y HN 0.851 nan 8.280 nan 0.000 0.503 242 H N -0.181 118.990 119.070 0.168 0.000 3.008 242 H HA 0.771 5.326 4.556 -0.001 0.000 0.354 242 H C -1.745 173.688 175.328 0.175 0.000 1.252 242 H CA -1.488 54.530 56.048 -0.049 0.000 1.117 242 H CB 2.139 31.825 29.762 -0.126 0.000 1.857 242 H HN 0.819 nan 8.280 nan 0.000 0.547 243 F N -1.309 118.689 119.950 0.080 0.000 2.713 243 F HA 0.687 5.213 4.527 -0.001 0.000 0.311 243 F C -1.142 174.706 175.800 0.081 0.000 1.141 243 F CA -1.103 56.928 58.000 0.053 0.000 0.939 243 F CB 1.729 40.763 39.000 0.056 0.000 1.325 243 F HN 0.685 nan 8.300 nan 0.000 0.453 244 S N -0.133 115.705 115.700 0.230 0.000 2.498 244 S HA 0.429 4.898 4.470 -0.001 0.000 0.317 244 S C 0.496 175.230 174.600 0.224 0.000 1.090 244 S CA 0.124 58.408 58.200 0.139 0.000 1.089 244 S CB 1.079 64.338 63.200 0.099 0.000 0.997 244 S HN 0.988 nan 8.310 nan 0.000 0.470 245 T N 1.465 116.139 114.554 0.199 0.000 3.023 245 T HA -0.039 4.310 4.350 -0.001 0.000 0.266 245 T C 1.808 176.570 174.700 0.104 0.000 1.093 245 T CA 1.083 63.289 62.100 0.177 0.000 1.129 245 T CB -0.337 68.620 68.868 0.148 0.000 0.899 245 T HN 0.662 nan 8.240 nan 0.000 0.491 246 S N 0.387 116.137 115.700 0.083 0.000 2.486 246 S HA 0.109 4.578 4.470 -0.001 0.000 0.220 246 S C 0.575 175.222 174.600 0.078 0.000 1.011 246 S CA 0.178 58.417 58.200 0.065 0.000 0.921 246 S CB -0.047 63.181 63.200 0.047 0.000 0.785 246 S HN 0.345 nan 8.310 nan 0.000 0.517 247 D N 1.345 121.805 120.400 0.099 0.000 2.656 247 D HA 0.437 5.076 4.640 -0.001 0.000 0.303 247 D C -2.307 174.084 176.300 0.153 0.000 1.199 247 D CA -2.078 52.003 54.000 0.134 0.000 0.797 247 D CB 1.352 42.223 40.800 0.118 0.000 1.170 247 D HN 0.029 nan 8.370 nan 0.000 0.509 248 P HA -0.131 nan 4.420 nan 0.000 0.215 248 P C 1.376 178.713 177.300 0.062 0.000 1.153 248 P CA 1.562 64.728 63.100 0.109 0.000 0.853 248 P CB 0.085 31.834 31.700 0.082 0.000 0.788 249 T N -5.430 109.126 114.554 0.004 0.000 3.067 249 T HA -0.026 4.323 4.350 -0.001 0.000 0.261 249 T C 1.255 175.765 174.700 -0.317 0.000 1.110 249 T CA 0.995 62.990 62.100 -0.175 0.000 1.113 249 T CB -0.878 67.814 68.868 -0.293 0.000 0.917 249 T HN 0.219 nan 8.240 nan 0.000 0.499 250 H N 0.297 119.394 119.070 0.046 0.000 2.426 250 H HA 0.451 5.007 4.556 -0.001 0.000 0.286 250 H C 1.911 177.270 175.328 0.051 0.000 0.990 250 H CA 0.498 56.572 56.048 0.043 0.000 1.237 250 H CB 0.254 30.035 29.762 0.032 0.000 1.466 250 H HN 0.225 nan 8.280 nan 0.000 0.525 251 S N 0.882 116.685 115.700 0.171 0.000 2.660 251 S HA 0.206 4.676 4.470 -0.001 0.000 0.227 251 S C 1.108 175.770 174.600 0.103 0.000 0.948 251 S CA 0.209 58.472 58.200 0.105 0.000 0.948 251 S CB -0.242 62.999 63.200 0.070 0.000 0.779 251 S HN 0.537 nan 8.310 nan 0.000 0.487 252 G N 0.125 108.993 108.800 0.113 0.000 2.666 252 G HA2 0.170 4.129 3.960 -0.001 0.000 0.207 252 G HA3 0.170 4.129 3.960 -0.001 0.000 0.207 252 G C -0.326 174.627 174.900 0.088 0.000 1.481 252 G CA -0.376 44.785 45.100 0.103 0.000 1.071 252 G HN 0.411 nan 8.290 nan 0.000 0.572 253 C N 1.016 120.276 119.300 -0.066 0.000 2.349 253 C HA 0.595 5.055 4.460 -0.001 0.000 0.348 253 C C 1.861 176.902 174.990 0.085 0.000 1.223 253 C CA -0.103 58.888 59.018 -0.044 0.000 1.746 253 C CB -0.556 27.082 27.740 -0.171 0.000 2.360 253 C HN 0.722 nan 8.230 nan 0.000 0.533 254 A N 4.466 127.372 122.820 0.143 0.000 2.067 254 A HA 0.134 4.453 4.320 -0.001 0.000 0.219 254 A C 2.216 179.813 177.584 0.022 0.000 1.158 254 A CA 1.606 53.701 52.037 0.096 0.000 0.661 254 A CB -0.400 18.676 19.000 0.127 0.000 0.801 254 A HN 1.255 nan 8.150 nan 0.000 0.452 255 A N -1.247 121.553 122.820 -0.033 0.000 2.019 255 A HA -0.123 4.197 4.320 -0.001 0.000 0.219 255 A C 1.567 178.899 177.584 -0.420 0.000 1.164 255 A CA 1.269 53.173 52.037 -0.222 0.000 0.644 255 A CB -0.545 18.280 19.000 -0.291 0.000 0.805 255 A HN 0.626 nan 8.150 nan 0.000 0.449 256 H N -1.607 117.486 119.070 0.037 0.000 2.486 256 H HA 0.322 4.877 4.556 -0.001 0.000 0.284 256 H C 1.374 176.703 175.328 0.002 0.000 1.103 256 H CA 0.226 56.280 56.048 0.010 0.000 1.089 256 H CB -0.124 29.634 29.762 -0.006 0.000 1.603 256 H HN 0.565 nan 8.280 nan 0.000 0.557 257 G N 1.316 110.152 108.800 0.060 0.000 2.160 257 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.251 257 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.251 257 G C 0.647 175.565 174.900 0.029 0.000 1.008 257 G CA 0.900 46.022 45.100 0.036 0.000 0.724 257 G HN 0.422 nan 8.290 nan 0.000 0.514 258 S N -2.012 113.717 115.700 0.049 0.000 3.561 258 S HA -0.288 4.181 4.470 -0.001 0.000 0.318 258 S C 0.451 175.068 174.600 0.027 0.000 1.181 258 S CA 1.303 59.527 58.200 0.039 0.000 0.916 258 S CB -1.300 61.911 63.200 0.018 0.000 0.966 258 S HN 1.712 nan 8.310 nan 0.000 0.550 259 N N 1.291 120.013 118.700 0.037 0.000 2.462 259 N HA 0.307 5.047 4.740 -0.001 0.000 0.242 259 N C 0.533 176.046 175.510 0.005 0.000 1.010 259 N CA -0.313 52.745 53.050 0.013 0.000 0.939 259 N CB 1.011 39.501 38.487 0.006 0.000 1.127 259 N HN 0.130 nan 8.380 nan 0.000 0.509 260 D N 2.383 122.782 120.400 -0.002 0.000 2.144 260 D HA -0.143 4.496 4.640 -0.001 0.000 0.199 260 D C 1.576 177.817 176.300 -0.097 0.000 0.984 260 D CA 0.855 54.853 54.000 -0.003 0.000 0.834 260 D CB 0.193 40.976 40.800 -0.029 0.000 0.955 260 D HN 0.618 nan 8.370 nan 0.000 0.465 261 R N 0.774 121.210 120.500 -0.107 0.000 2.075 261 R HA -0.049 4.290 4.340 -0.001 0.000 0.232 261 R C 1.992 178.175 176.300 -0.195 0.000 1.126 261 R CA 1.357 57.368 56.100 -0.149 0.000 0.963 261 R CB -0.101 30.145 30.300 -0.090 0.000 0.858 261 R HN 0.100 nan 8.270 nan 0.000 0.435 262 A N 0.614 123.342 122.820 -0.153 0.000 1.968 262 A HA 0.009 4.329 4.320 -0.001 0.000 0.217 262 A C 2.289 179.636 177.584 -0.394 0.000 1.169 262 A CA 1.366 53.287 52.037 -0.194 0.000 0.638 262 A CB -0.484 18.467 19.000 -0.081 0.000 0.812 262 A HN 0.522 nan 8.150 nan 0.000 0.446 263 A N -0.162 122.460 122.820 -0.330 0.000 1.873 263 A HA -0.012 4.308 4.320 -0.001 0.000 0.215 263 A C 2.189 179.517 177.584 -0.427 0.000 1.186 263 A CA 1.368 53.151 52.037 -0.423 0.000 0.616 263 A CB -0.657 18.338 19.000 -0.008 0.000 0.823 263 A HN 0.592 nan 8.150 nan 0.000 0.442 264 L N -0.464 120.427 121.223 -0.553 0.000 2.012 264 L HA -0.228 4.111 4.340 -0.001 0.000 0.210 264 L C 2.454 178.988 176.870 -0.559 0.000 1.073 264 L CA 2.227 56.493 54.840 -0.956 0.000 0.748 264 L CB -0.373 41.056 42.059 -1.050 0.000 0.891 264 L HN 0.503 nan 8.230 nan 0.000 0.431 265 E N -0.358 119.591 120.200 -0.417 0.000 2.107 265 E HA -0.180 4.170 4.350 -0.001 0.000 0.191 265 E C 2.156 178.605 176.600 -0.251 0.000 0.982 265 E CA 0.915 57.135 56.400 -0.299 0.000 0.809 265 E CB -0.112 29.448 29.700 -0.234 0.000 0.756 265 E HN 0.675 nan 8.360 nan 0.000 0.459 266 A N 1.494 124.126 122.820 -0.313 0.000 1.902 266 A HA -0.103 4.216 4.320 -0.001 0.000 0.217 266 A C 2.374 179.865 177.584 -0.154 0.000 1.181 266 A CA 1.632 53.518 52.037 -0.251 0.000 0.623 266 A CB -0.541 18.209 19.000 -0.416 0.000 0.818 266 A HN 0.290 nan 8.150 nan 0.000 0.443 267 A N -0.558 122.179 122.820 -0.138 0.000 1.898 267 A HA -0.010 4.309 4.320 -0.001 0.000 0.216 267 A C 2.124 179.717 177.584 0.016 0.000 1.181 267 A CA 1.722 53.764 52.037 0.008 0.000 0.620 267 A CB -0.611 18.439 19.000 0.084 0.000 0.819 267 A HN 0.672 nan 8.150 nan 0.000 0.442 268 L N -0.222 120.951 121.223 -0.083 0.000 2.056 268 L HA -0.082 4.257 4.340 -0.001 0.000 0.207 268 L C 2.377 179.229 176.870 -0.030 0.000 1.078 268 L CA 2.757 57.557 54.840 -0.066 0.000 0.749 268 L CB -1.095 40.865 42.059 -0.164 0.000 0.901 268 L HN 0.354 nan 8.230 nan 0.000 0.433 269 T N -1.176 113.336 114.554 -0.070 0.000 2.821 269 T HA -0.205 4.144 4.350 -0.001 0.000 0.267 269 T C 1.793 176.461 174.700 -0.054 0.000 1.046 269 T CA 1.475 63.539 62.100 -0.060 0.000 1.139 269 T CB -0.110 68.707 68.868 -0.085 0.000 0.871 269 T HN 0.313 nan 8.240 nan 0.000 0.454 270 Q N 0.585 120.327 119.800 -0.096 0.000 2.124 270 Q HA 0.056 4.395 4.340 -0.001 0.000 0.202 270 Q C 2.074 178.077 176.000 0.004 0.000 0.977 270 Q CA 1.199 56.861 55.803 -0.236 0.000 0.850 270 Q CB -0.508 27.922 28.738 -0.515 0.000 0.901 270 Q HN 0.493 nan 8.270 nan 0.000 0.429 271 L N -0.890 120.478 121.223 0.241 0.000 2.046 271 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 271 L C 2.361 179.386 176.870 0.258 0.000 1.077 271 L CA 1.230 56.305 54.840 0.391 0.000 0.747 271 L CB -0.346 41.871 42.059 0.263 0.000 0.896 271 L HN 0.355 nan 8.230 nan 0.000 0.432 272 M N -0.688 118.995 119.600 0.139 0.000 2.117 272 M HA -0.211 4.268 4.480 -0.001 0.000 0.262 272 M C 2.237 178.580 176.300 0.071 0.000 1.065 272 M CA 1.736 57.093 55.300 0.095 0.000 1.114 272 M CB -0.281 32.355 32.600 0.061 0.000 1.361 272 M HN 0.085 nan 8.290 nan 0.000 0.408 273 K N -0.436 119.999 120.400 0.059 0.000 2.097 273 K HA -0.150 4.169 4.320 -0.001 0.000 0.206 273 K C 1.831 178.499 176.600 0.112 0.000 1.049 273 K CA 1.211 57.521 56.287 0.039 0.000 0.933 273 K CB -0.278 32.209 32.500 -0.022 0.000 0.717 273 K HN 0.181 nan 8.250 nan 0.000 0.442 274 F N 2.360 122.331 119.950 0.035 0.000 2.146 274 F HA -0.087 4.439 4.527 -0.001 0.000 0.298 274 F C 2.369 178.174 175.800 0.008 0.000 1.096 274 F CA 1.161 59.212 58.000 0.085 0.000 1.275 274 F CB -0.278 38.907 39.000 0.309 0.000 1.008 274 F HN -0.154 nan 8.300 nan 0.000 0.480 275 R N 0.625 121.040 120.500 -0.142 0.000 2.081 275 R HA -0.175 4.164 4.340 -0.001 0.000 0.235 275 R C 2.092 178.261 176.300 -0.218 0.000 1.131 275 R CA 2.074 58.008 56.100 -0.277 0.000 0.960 275 R CB -0.515 29.721 30.300 -0.107 0.000 0.856 275 R HN 0.390 nan 8.270 nan 0.000 0.436 276 E N 0.003 120.145 120.200 -0.098 0.000 2.118 276 E HA -0.197 4.152 4.350 -0.001 0.000 0.195 276 E C 1.951 178.488 176.600 -0.104 0.000 0.992 276 E CA 1.141 57.495 56.400 -0.076 0.000 0.804 276 E CB -0.096 29.586 29.700 -0.029 0.000 0.741 276 E HN 0.523 nan 8.360 nan 0.000 0.458 277 A N 0.911 123.669 122.820 -0.104 0.000 1.858 277 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 277 A C 2.522 179.995 177.584 -0.184 0.000 1.190 277 A CA 1.235 53.217 52.037 -0.092 0.000 0.617 277 A CB -0.764 18.249 19.000 0.023 0.000 0.827 277 A HN 0.115 nan 8.150 nan 0.000 0.443 278 V N 0.355 120.048 119.914 -0.368 0.000 2.332 278 V HA -0.287 3.832 4.120 -0.001 0.000 0.248 278 V C 2.422 178.304 176.094 -0.353 0.000 1.055 278 V CA 2.379 64.357 62.300 -0.537 0.000 1.038 278 V CB -0.910 30.267 31.823 -1.077 0.000 0.651 278 V HN 0.638 nan 8.190 nan 0.000 0.450 279 E N -0.056 119.975 120.200 -0.283 0.000 2.150 279 E HA -0.151 4.198 4.350 -0.001 0.000 0.193 279 E C 1.839 178.378 176.600 -0.102 0.000 0.985 279 E CA 1.091 57.391 56.400 -0.166 0.000 0.814 279 E CB -0.125 29.501 29.700 -0.123 0.000 0.752 279 E HN 0.622 nan 8.360 nan 0.000 0.466 280 N N -0.123 118.511 118.700 -0.110 0.000 2.388 280 N HA 0.056 4.795 4.740 -0.001 0.000 0.176 280 N C 1.422 176.859 175.510 -0.122 0.000 1.062 280 N CA 0.494 53.491 53.050 -0.088 0.000 0.895 280 N CB 0.524 38.969 38.487 -0.071 0.000 1.018 280 N HN 0.026 nan 8.380 nan 0.000 0.456 281 A N 0.635 123.341 122.820 -0.189 0.000 2.123 281 A HA 0.012 4.331 4.320 -0.001 0.000 0.214 281 A C 0.385 177.619 177.584 -0.582 0.000 1.152 281 A CA 0.746 52.570 52.037 -0.355 0.000 0.728 281 A CB -0.036 18.722 19.000 -0.403 0.000 0.814 281 A HN 0.193 nan 8.150 nan 0.000 0.464 282 H N -1.157 117.872 119.070 -0.069 0.000 2.637 282 H HA 0.345 4.900 4.556 -0.001 0.000 0.363 282 H C 0.082 175.406 175.328 -0.007 0.000 1.131 282 H CA -0.527 55.514 56.048 -0.012 0.000 1.183 282 H CB 1.168 30.935 29.762 0.009 0.000 1.637 282 H HN 0.481 nan 8.280 nan 0.000 0.531 283 C N -0.285 119.093 119.300 0.130 0.000 2.560 283 C HA 0.307 4.766 4.460 -0.001 0.000 0.334 283 C C 1.181 176.231 174.990 0.100 0.000 1.404 283 C CA -0.488 58.579 59.018 0.082 0.000 2.410 283 C CB -0.485 27.294 27.740 0.066 0.000 2.268 283 C HN 1.027 nan 8.230 nan 0.000 0.673 284 C N 1.061 120.404 119.300 0.071 0.000 4.424 284 C HA 0.173 4.632 4.460 -0.001 0.000 0.304 284 C C 1.421 176.460 174.990 0.081 0.000 1.344 284 C CA 1.395 60.457 59.018 0.074 0.000 2.033 284 C CB -2.968 24.823 27.740 0.084 0.000 1.264 284 C HN 2.865 nan 8.230 nan 0.000 0.750 285 G N -1.045 107.792 108.800 0.061 0.000 2.176 285 G HA2 0.187 4.146 3.960 -0.001 0.000 0.252 285 G HA3 0.187 4.146 3.960 -0.001 0.000 0.252 285 G C 0.174 175.112 174.900 0.064 0.000 1.024 285 G CA 0.486 45.617 45.100 0.051 0.000 0.755 285 G HN 2.512 nan 8.290 nan 0.000 0.507 286 A N -0.197 122.665 122.820 0.069 0.000 2.540 286 A HA 0.673 4.993 4.320 -0.001 0.000 0.239 286 A C 0.936 178.481 177.584 -0.065 0.000 1.061 286 A CA 1.350 53.417 52.037 0.051 0.000 0.758 286 A CB 0.247 19.226 19.000 -0.035 0.000 0.991 286 A HN 2.217 nan 8.150 nan 0.000 0.502 287 S N 1.130 116.808 115.700 -0.036 0.000 2.615 287 S HA 0.774 5.243 4.470 -0.001 0.000 0.269 287 S C -0.532 174.040 174.600 -0.047 0.000 1.161 287 S CA -0.154 57.985 58.200 -0.101 0.000 0.817 287 S CB 0.764 63.934 63.200 -0.050 0.000 1.131 287 S HN 1.682 nan 8.310 nan 0.000 0.467 288 I N -1.922 118.585 120.570 -0.106 0.000 3.264 288 I HA 0.742 4.911 4.170 -0.001 0.000 0.315 288 I C -1.742 174.362 176.117 -0.021 0.000 1.154 288 I CA -0.984 60.306 61.300 -0.016 0.000 0.962 288 I CB 2.010 39.946 38.000 -0.107 0.000 1.265 288 I HN 0.460 nan 8.210 nan 0.000 0.463 289 D N 2.665 123.076 120.400 0.018 0.000 2.228 289 D HA 0.678 5.317 4.640 -0.001 0.000 0.247 289 D C -0.594 175.683 176.300 -0.038 0.000 0.995 289 D CA -0.032 53.961 54.000 -0.012 0.000 0.903 289 D CB 2.735 43.565 40.800 0.051 0.000 1.205 289 D HN 0.650 nan 8.370 nan 0.000 0.459 290 I N -1.639 118.914 120.570 -0.028 0.000 2.785 290 I HA 0.714 4.884 4.170 -0.001 0.000 0.302 290 I C -1.557 174.564 176.117 0.007 0.000 1.069 290 I CA -1.088 60.217 61.300 0.009 0.000 1.045 290 I CB 2.318 40.359 38.000 0.069 0.000 1.236 290 I HN 0.083 nan 8.210 nan 0.000 0.429 291 L N 4.746 125.984 121.223 0.025 0.000 2.482 291 L HA 0.651 4.990 4.340 -0.001 0.000 0.263 291 L C -1.987 174.950 176.870 0.112 0.000 0.957 291 L CA -0.512 54.372 54.840 0.073 0.000 0.836 291 L CB 2.034 44.124 42.059 0.051 0.000 1.324 291 L HN 0.745 nan 8.230 nan 0.000 0.406 292 L N 5.545 126.868 121.223 0.167 0.000 2.333 292 L HA 0.723 5.062 4.340 -0.001 0.000 0.280 292 L C -1.269 175.798 176.870 0.329 0.000 1.004 292 L CA -0.008 54.948 54.840 0.194 0.000 0.820 292 L CB 1.396 43.475 42.059 0.033 0.000 1.247 292 L HN 0.560 nan 8.230 nan 0.000 0.416 293 I N 4.181 124.911 120.570 0.267 0.000 2.465 293 I HA 0.572 4.741 4.170 -0.001 0.000 0.291 293 I C 0.328 176.395 176.117 -0.082 0.000 1.014 293 I CA -0.666 60.733 61.300 0.165 0.000 1.093 293 I CB 2.072 40.117 38.000 0.075 0.000 1.267 293 I HN 0.737 nan 8.210 nan 0.000 0.431 294 G N 4.938 113.571 108.800 -0.278 0.000 2.371 294 G HA2 0.633 4.592 3.960 -0.001 0.000 0.326 294 G HA3 0.633 4.592 3.960 -0.001 0.000 0.326 294 G C -1.038 173.629 174.900 -0.389 0.000 1.127 294 G CA -0.363 44.188 45.100 -0.915 0.000 0.885 294 G HN 0.328 nan 8.290 nan 0.000 0.477 295 V N 2.105 121.730 119.914 -0.481 0.000 2.487 295 V HA 0.244 4.363 4.120 -0.001 0.000 0.298 295 V C -0.790 174.738 176.094 -0.945 0.000 1.028 295 V CA -0.892 61.129 62.300 -0.466 0.000 0.860 295 V CB 1.792 33.456 31.823 -0.265 0.000 0.991 295 V HN 0.797 nan 8.190 nan 0.000 0.427 296 D N 3.329 123.178 120.400 -0.918 0.000 2.336 296 D HA 0.116 4.755 4.640 -0.001 0.000 0.249 296 D C 1.431 177.503 176.300 -0.379 0.000 1.213 296 D CA 0.232 53.697 54.000 -0.892 0.000 0.870 296 D CB 1.733 42.304 40.800 -0.381 0.000 1.076 296 D HN 0.729 nan 8.370 nan 0.000 0.483 297 T N 0.345 114.723 114.554 -0.293 0.000 3.072 297 T HA -0.094 4.255 4.350 -0.001 0.000 0.266 297 T C 0.986 175.690 174.700 0.007 0.000 1.127 297 T CA 0.445 62.460 62.100 -0.141 0.000 1.107 297 T CB 0.075 68.845 68.868 -0.162 0.000 0.910 297 T HN 0.177 nan 8.240 nan 0.000 0.513 298 D N 2.139 122.547 120.400 0.013 0.000 2.149 298 D HA -0.014 4.625 4.640 -0.001 0.000 0.201 298 D C 2.230 178.608 176.300 0.129 0.000 0.972 298 D CA 1.878 55.940 54.000 0.103 0.000 0.835 298 D CB -0.195 40.626 40.800 0.034 0.000 0.966 298 D HN 0.725 nan 8.370 nan 0.000 0.476 299 T N -4.406 110.169 114.554 0.035 0.000 3.004 299 T HA 0.121 4.470 4.350 -0.001 0.000 0.266 299 T C 0.190 174.890 174.700 0.001 0.000 0.986 299 T CA -0.081 62.007 62.100 -0.020 0.000 0.902 299 T CB 0.838 69.668 68.868 -0.064 0.000 1.118 299 T HN -0.247 nan 8.240 nan 0.000 0.522 300 D N 1.030 121.452 120.400 0.036 0.000 3.079 300 D HA -0.115 4.524 4.640 -0.001 0.000 0.214 300 D C 0.358 176.637 176.300 -0.035 0.000 1.145 300 D CA 1.031 55.043 54.000 0.019 0.000 0.958 300 D CB -1.583 39.280 40.800 0.105 0.000 1.117 300 D HN 0.896 nan 8.370 nan 0.000 0.416 301 A N 0.477 123.260 122.820 -0.063 0.000 2.388 301 A HA 0.552 4.871 4.320 -0.001 0.000 0.257 301 A C 0.840 178.382 177.584 -0.070 0.000 1.095 301 A CA -0.388 51.616 52.037 -0.055 0.000 0.791 301 A CB 0.354 19.324 19.000 -0.051 0.000 1.029 301 A HN 0.417 nan 8.150 nan 0.000 0.489 302 I N 0.140 120.686 120.570 -0.040 0.000 2.676 302 I HA 0.792 4.962 4.170 -0.001 0.000 0.309 302 I C 0.088 176.201 176.117 -0.007 0.000 0.990 302 I CA -1.066 60.207 61.300 -0.044 0.000 1.168 302 I CB 1.619 39.598 38.000 -0.036 0.000 1.343 302 I HN 0.804 nan 8.210 nan 0.000 0.482 303 R N 4.172 124.657 120.500 -0.026 0.000 2.561 303 R HA 0.729 5.068 4.340 -0.001 0.000 0.297 303 R C -2.203 174.075 176.300 -0.037 0.000 0.969 303 R CA -0.689 55.377 56.100 -0.056 0.000 0.879 303 R CB 2.042 32.203 30.300 -0.232 0.000 1.178 303 R HN 0.589 nan 8.270 nan 0.000 0.445 304 V N 4.202 124.132 119.914 0.028 0.000 2.417 304 V HA 0.283 4.402 4.120 -0.001 0.000 0.291 304 V C 0.056 176.226 176.094 0.125 0.000 1.024 304 V CA -0.798 61.568 62.300 0.109 0.000 0.861 304 V CB 1.414 33.306 31.823 0.115 0.000 0.985 304 V HN 0.750 nan 8.190 nan 0.000 0.436 305 H N 5.067 124.265 119.070 0.214 0.000 2.819 305 H HA 0.293 4.848 4.556 -0.001 0.000 0.303 305 H C -0.362 175.079 175.328 0.188 0.000 1.058 305 H CA -0.372 55.823 56.048 0.245 0.000 1.471 305 H CB 1.299 31.192 29.762 0.218 0.000 1.480 305 H HN 0.355 nan 8.280 nan 0.000 0.517 306 I N 6.215 126.931 120.570 0.244 0.000 2.352 306 I HA 0.143 4.312 4.170 -0.001 0.000 0.290 306 I C -2.085 174.136 176.117 0.174 0.000 1.036 306 I CA -2.803 58.605 61.300 0.180 0.000 1.336 306 I CB 0.436 38.512 38.000 0.127 0.000 1.407 306 I HN 0.263 nan 8.210 nan 0.000 0.497 307 P HA 0.119 nan 4.420 nan 0.000 0.272 307 P C -0.628 176.737 177.300 0.110 0.000 1.230 307 P CA -0.198 62.977 63.100 0.126 0.000 0.788 307 P CB 0.600 32.354 31.700 0.090 0.000 0.949 308 D N -1.277 119.192 120.400 0.114 0.000 2.511 308 D HA 0.081 4.720 4.640 -0.001 0.000 0.276 308 D C 1.126 177.463 176.300 0.061 0.000 1.220 308 D CA -0.459 53.603 54.000 0.105 0.000 1.077 308 D CB -0.512 40.379 40.800 0.152 0.000 1.126 308 D HN 0.251 nan 8.370 nan 0.000 0.583 309 S N -1.374 114.362 115.700 0.060 0.000 2.474 309 S HA -0.121 4.348 4.470 -0.001 0.000 0.235 309 S C 1.208 175.805 174.600 -0.006 0.000 0.997 309 S CA 0.653 58.871 58.200 0.029 0.000 0.949 309 S CB -0.403 62.819 63.200 0.037 0.000 0.766 309 S HN 0.454 nan 8.310 nan 0.000 0.517 310 K N 0.089 120.483 120.400 -0.010 0.000 2.374 310 K HA 0.335 4.654 4.320 -0.001 0.000 0.196 310 K C 1.156 177.428 176.600 -0.546 0.000 1.023 310 K CA 0.404 56.596 56.287 -0.158 0.000 1.103 310 K CB 0.222 32.777 32.500 0.093 0.000 0.848 310 K HN 0.501 nan 8.250 nan 0.000 0.528 311 G N 0.930 109.530 108.800 -0.333 0.000 2.175 311 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.244 311 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.244 311 G C -0.025 174.687 174.900 -0.313 0.000 0.982 311 G CA -0.374 44.537 45.100 -0.316 0.000 0.641 311 G HN 0.195 nan 8.290 nan 0.000 0.527 312 F N 0.484 120.463 119.950 0.048 0.000 2.389 312 F HA 0.690 5.217 4.527 -0.001 0.000 0.337 312 F C 1.105 176.943 175.800 0.064 0.000 1.112 312 F CA -0.716 57.312 58.000 0.046 0.000 1.192 312 F CB 0.789 39.811 39.000 0.038 0.000 1.185 312 F HN -0.052 nan 8.300 nan 0.000 0.552 313 L N 2.222 123.596 121.223 0.252 0.000 2.322 313 L HA 0.484 4.824 4.340 -0.001 0.000 0.269 313 L C -0.388 176.572 176.870 0.150 0.000 1.012 313 L CA -0.926 54.022 54.840 0.181 0.000 0.815 313 L CB 1.719 43.854 42.059 0.127 0.000 1.295 313 L HN 0.597 nan 8.230 nan 0.000 0.438 314 N N 0.848 119.649 118.700 0.170 0.000 2.295 314 N HA 0.353 5.093 4.740 -0.001 0.000 0.293 314 N C -2.388 173.208 175.510 0.143 0.000 1.040 314 N CA -1.763 51.369 53.050 0.137 0.000 0.840 314 N CB 2.939 41.541 38.487 0.191 0.000 1.468 314 N HN 0.143 nan 8.380 nan 0.000 0.478 315 P HA -0.002 nan 4.420 nan 0.000 0.222 315 P C 0.061 177.319 177.300 -0.070 0.000 1.147 315 P CA 1.325 64.281 63.100 -0.239 0.000 0.790 315 P CB 0.007 31.296 31.700 -0.685 0.000 0.780 316 Y N -1.937 118.568 120.300 0.341 0.000 2.467 316 Y HA 0.267 4.816 4.550 -0.001 0.000 0.250 316 Y C 1.231 177.143 175.900 0.021 0.000 1.155 316 Y CA -0.581 57.669 58.100 0.251 0.000 1.249 316 Y CB 0.273 38.903 38.460 0.284 0.000 1.146 316 Y HN -0.242 nan 8.280 nan 0.000 0.524 317 R N 1.935 122.564 120.500 0.215 0.000 2.247 317 R HA 0.345 4.684 4.340 -0.001 0.000 0.329 317 R C -1.760 174.603 176.300 0.104 0.000 1.014 317 R CA -0.435 55.710 56.100 0.075 0.000 0.907 317 R CB 0.246 30.628 30.300 0.138 0.000 1.146 317 R HN 0.216 nan 8.270 nan 0.000 0.499 318 Y N -0.278 120.018 120.300 -0.006 0.000 2.656 318 Y HA 0.487 5.036 4.550 -0.001 0.000 0.334 318 Y C -1.774 174.101 175.900 -0.041 0.000 1.179 318 Y CA -1.288 56.747 58.100 -0.108 0.000 1.050 318 Y CB 0.820 39.022 38.460 -0.430 0.000 1.308 318 Y HN -0.030 nan 8.280 nan 0.000 0.456 319 V N 2.291 122.344 119.914 0.231 0.000 2.398 319 V HA 0.320 4.439 4.120 -0.001 0.000 0.286 319 V C -0.882 175.356 176.094 0.240 0.000 1.026 319 V CA -0.419 61.989 62.300 0.179 0.000 0.868 319 V CB 1.375 33.261 31.823 0.105 0.000 0.982 319 V HN 0.786 nan 8.190 nan 0.000 0.443 320 D N 3.665 124.212 120.400 0.245 0.000 2.317 320 D HA 0.173 4.813 4.640 -0.001 0.000 0.234 320 D C 0.770 177.147 176.300 0.128 0.000 1.112 320 D CA -0.225 53.893 54.000 0.196 0.000 0.840 320 D CB 1.336 42.281 40.800 0.242 0.000 1.078 320 D HN 0.444 nan 8.370 nan 0.000 0.486 321 N N 1.954 120.709 118.700 0.092 0.000 2.459 321 N HA -0.089 4.651 4.740 -0.001 0.000 0.181 321 N C 1.293 176.868 175.510 0.109 0.000 1.046 321 N CA 0.793 53.893 53.050 0.084 0.000 0.904 321 N CB 0.299 38.817 38.487 0.052 0.000 0.964 321 N HN 0.342 nan 8.380 nan 0.000 0.444 322 T N -0.621 113.986 114.554 0.088 0.000 2.821 322 T HA -0.105 4.244 4.350 -0.001 0.000 0.267 322 T C 1.964 176.743 174.700 0.131 0.000 1.046 322 T CA 1.520 63.665 62.100 0.075 0.000 1.139 322 T CB -0.245 68.641 68.868 0.029 0.000 0.871 322 T HN 0.271 nan 8.240 nan 0.000 0.454 323 V N 0.234 120.222 119.914 0.124 0.000 2.488 323 V HA -0.075 4.045 4.120 -0.001 0.000 0.246 323 V C 2.273 178.448 176.094 0.135 0.000 1.046 323 V CA 1.882 64.256 62.300 0.123 0.000 1.053 323 V CB -1.479 30.406 31.823 0.104 0.000 0.679 323 V HN 0.370 nan 8.190 nan 0.000 0.458 324 T N -0.210 114.424 114.554 0.133 0.000 2.821 324 T HA -0.153 4.196 4.350 -0.001 0.000 0.267 324 T C 1.637 176.431 174.700 0.157 0.000 1.046 324 T CA 2.236 64.408 62.100 0.120 0.000 1.139 324 T CB -0.561 68.362 68.868 0.092 0.000 0.871 324 T HN 0.706 nan 8.240 nan 0.000 0.454 325 Y N 2.053 122.385 120.300 0.053 0.000 2.097 325 Y HA -0.102 4.447 4.550 -0.001 0.000 0.282 325 Y C 2.608 178.596 175.900 0.147 0.000 1.152 325 Y CA 1.302 59.455 58.100 0.088 0.000 1.136 325 Y CB -0.517 37.970 38.460 0.046 0.000 0.975 325 Y HN 0.186 nan 8.280 nan 0.000 0.498 326 A N -0.052 122.981 122.820 0.355 0.000 1.930 326 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 326 A C 2.043 179.677 177.584 0.084 0.000 1.175 326 A CA 1.775 53.946 52.037 0.222 0.000 0.627 326 A CB -0.636 18.485 19.000 0.201 0.000 0.815 326 A HN 0.682 nan 8.150 nan 0.000 0.443 327 Q N -0.862 118.993 119.800 0.091 0.000 2.378 327 Q HA -0.060 4.279 4.340 -0.001 0.000 0.205 327 Q C 1.469 177.483 176.000 0.024 0.000 0.954 327 Q CA 1.453 57.292 55.803 0.060 0.000 0.901 327 Q CB 0.001 28.780 28.738 0.068 0.000 0.981 327 Q HN 0.854 nan 8.270 nan 0.000 0.483 328 T N -3.144 111.413 114.554 0.006 0.000 3.040 328 T HA 0.102 4.451 4.350 -0.001 0.000 0.266 328 T C 1.386 175.902 174.700 -0.306 0.000 1.005 328 T CA -0.318 61.759 62.100 -0.040 0.000 0.906 328 T CB 0.122 69.050 68.868 0.101 0.000 1.082 328 T HN 0.035 nan 8.240 nan 0.000 0.531 329 L N 2.027 122.976 121.223 -0.457 0.000 2.081 329 L HA -0.076 4.263 4.340 -0.001 0.000 0.212 329 L C 1.715 178.144 176.870 -0.735 0.000 1.080 329 L CA 1.874 56.217 54.840 -0.829 0.000 0.754 329 L CB -0.683 40.927 42.059 -0.749 0.000 0.893 329 L HN 0.422 nan 8.230 nan 0.000 0.433 330 H N -1.509 117.448 119.070 -0.189 0.000 2.529 330 H HA 0.310 4.865 4.556 -0.001 0.000 0.277 330 H C -0.018 175.242 175.328 -0.112 0.000 1.004 330 H CA -0.493 55.477 56.048 -0.129 0.000 1.167 330 H CB 0.089 29.809 29.762 -0.070 0.000 1.445 330 H HN 0.167 nan 8.280 nan 0.000 0.554 331 L N 0.702 121.873 121.223 -0.087 0.000 2.375 331 L HA 0.457 4.796 4.340 -0.001 0.000 0.268 331 L C 0.761 177.589 176.870 -0.071 0.000 1.058 331 L CA -0.937 53.872 54.840 -0.053 0.000 0.803 331 L CB 0.741 42.775 42.059 -0.041 0.000 1.212 331 L HN 0.080 nan 8.230 nan 0.000 0.451 332 A N 2.893 125.691 122.820 -0.037 0.000 2.483 332 A HA 0.348 4.667 4.320 -0.001 0.000 0.238 332 A C -1.546 176.022 177.584 -0.026 0.000 1.070 332 A CA -0.616 51.403 52.037 -0.031 0.000 0.770 332 A CB -0.576 18.414 19.000 -0.016 0.000 1.008 332 A HN 0.723 nan 8.150 nan 0.000 0.497 333 P HA -0.204 nan 4.420 nan 0.000 0.217 333 P C 0.577 177.881 177.300 0.006 0.000 1.162 333 P CA 1.832 64.931 63.100 -0.001 0.000 0.901 333 P CB 0.066 31.765 31.700 -0.002 0.000 0.793 334 D N -0.681 119.719 120.400 -0.000 0.000 2.123 334 D HA -0.164 4.475 4.640 -0.001 0.000 0.196 334 D C 1.933 178.237 176.300 0.006 0.000 0.992 334 D CA 1.134 55.135 54.000 0.001 0.000 0.833 334 D CB -0.627 40.170 40.800 -0.004 0.000 0.954 334 D HN 0.374 nan 8.370 nan 0.000 0.455 335 E N 0.525 120.728 120.200 0.005 0.000 2.077 335 E HA -0.128 4.221 4.350 -0.001 0.000 0.193 335 E C 2.130 178.744 176.600 0.023 0.000 0.989 335 E CA 1.018 57.425 56.400 0.012 0.000 0.800 335 E CB -0.108 29.595 29.700 0.006 0.000 0.746 335 E HN 0.218 nan 8.360 nan 0.000 0.452 336 A N 1.656 124.489 122.820 0.022 0.000 1.908 336 A HA -0.222 4.098 4.320 -0.001 0.000 0.218 336 A C 2.073 179.692 177.584 0.058 0.000 1.181 336 A CA 1.429 53.494 52.037 0.046 0.000 0.627 336 A CB -0.436 18.607 19.000 0.071 0.000 0.818 336 A HN 0.095 nan 8.150 nan 0.000 0.445 337 R N -0.671 119.857 120.500 0.046 0.000 2.096 337 R HA -0.080 4.259 4.340 -0.001 0.000 0.235 337 R C 2.000 178.343 176.300 0.072 0.000 1.127 337 R CA 1.413 57.543 56.100 0.050 0.000 0.968 337 R CB -0.611 29.707 30.300 0.029 0.000 0.861 337 R HN 0.410 nan 8.270 nan 0.000 0.440 338 V N 1.528 121.476 119.914 0.057 0.000 2.295 338 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 338 V C 2.338 178.501 176.094 0.116 0.000 1.049 338 V CA 1.515 63.863 62.300 0.079 0.000 1.024 338 V CB -0.461 31.390 31.823 0.045 0.000 0.648 338 V HN 0.223 nan 8.190 nan 0.000 0.447 339 I N 0.011 120.630 120.570 0.081 0.000 2.151 339 I HA -0.280 3.889 4.170 -0.001 0.000 0.243 339 I C 2.389 178.555 176.117 0.082 0.000 1.080 339 I CA 2.031 63.376 61.300 0.074 0.000 1.339 339 I CB -1.070 36.965 38.000 0.059 0.000 1.039 339 I HN 0.281 nan 8.210 nan 0.000 0.409 340 I N -0.106 120.518 120.570 0.090 0.000 2.179 340 I HA -0.345 3.824 4.170 -0.001 0.000 0.242 340 I C 2.717 178.899 176.117 0.108 0.000 1.088 340 I CA 1.658 63.010 61.300 0.087 0.000 1.357 340 I CB -0.717 37.329 38.000 0.078 0.000 1.051 340 I HN 0.291 nan 8.210 nan 0.000 0.409 341 H N 1.293 120.389 119.070 0.044 0.000 2.352 341 H HA -0.184 4.371 4.556 -0.001 0.000 0.299 341 H C 2.089 177.443 175.328 0.044 0.000 1.097 341 H CA 2.047 58.124 56.048 0.048 0.000 1.311 341 H CB 0.051 29.840 29.762 0.045 0.000 1.377 341 H HN 0.332 nan 8.280 nan 0.000 0.504 342 E N -0.061 120.172 120.200 0.055 0.000 2.106 342 E HA -0.121 4.228 4.350 -0.001 0.000 0.192 342 E C 2.434 179.017 176.600 -0.028 0.000 0.984 342 E CA 0.639 57.035 56.400 -0.008 0.000 0.806 342 E CB -0.137 29.599 29.700 0.059 0.000 0.750 342 E HN 0.640 nan 8.360 nan 0.000 0.458 343 A N 1.369 124.192 122.820 0.005 0.000 1.902 343 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 343 A C 2.180 179.760 177.584 -0.006 0.000 1.181 343 A CA 1.104 53.147 52.037 0.009 0.000 0.623 343 A CB -0.594 18.427 19.000 0.034 0.000 0.818 343 A HN 0.130 nan 8.150 nan 0.000 0.443 344 I N -0.588 119.972 120.570 -0.017 0.000 2.179 344 I HA -0.251 3.918 4.170 -0.001 0.000 0.242 344 I C 2.428 178.518 176.117 -0.045 0.000 1.088 344 I CA 1.079 62.370 61.300 -0.015 0.000 1.357 344 I CB -0.344 37.653 38.000 -0.006 0.000 1.051 344 I HN 0.280 nan 8.210 nan 0.000 0.409 345 L N 0.528 121.683 121.223 -0.113 0.000 2.046 345 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 345 L C 2.330 179.172 176.870 -0.047 0.000 1.077 345 L CA 1.281 56.062 54.840 -0.099 0.000 0.747 345 L CB -0.617 41.345 42.059 -0.162 0.000 0.896 345 L HN 0.325 nan 8.230 nan 0.000 0.432 346 N N 0.214 118.889 118.700 -0.041 0.000 2.166 346 N HA -0.163 4.576 4.740 -0.001 0.000 0.186 346 N C 1.824 177.320 175.510 -0.024 0.000 1.019 346 N CA 1.456 54.490 53.050 -0.026 0.000 0.856 346 N CB -0.337 38.137 38.487 -0.021 0.000 0.993 346 N HN 0.316 nan 8.380 nan 0.000 0.426 347 A N 0.809 123.617 122.820 -0.019 0.000 1.940 347 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 347 A C 1.956 179.543 177.584 0.005 0.000 1.176 347 A CA 1.604 53.632 52.037 -0.015 0.000 0.631 347 A CB -0.771 18.229 19.000 0.000 0.000 0.814 347 A HN 0.426 nan 8.150 nan 0.000 0.446 348 N N -1.158 117.548 118.700 0.011 0.000 2.446 348 N HA -0.007 4.732 4.740 -0.001 0.000 0.179 348 N C 1.392 176.912 175.510 0.016 0.000 1.054 348 N CA 0.231 53.296 53.050 0.024 0.000 0.905 348 N CB -0.000 38.501 38.487 0.023 0.000 0.973 348 N HN 0.432 nan 8.380 nan 0.000 0.448 349 R N 0.226 120.727 120.500 0.001 0.000 2.310 349 R HA 0.189 4.529 4.340 -0.001 0.000 0.202 349 R C -0.060 176.236 176.300 -0.007 0.000 0.933 349 R CA -0.029 56.070 56.100 -0.002 0.000 1.054 349 R CB 0.320 30.615 30.300 -0.008 0.000 0.985 349 R HN -0.002 nan 8.270 nan 0.000 0.489 350 S N 1.189 116.885 115.700 -0.007 0.000 2.549 350 S HA -0.023 4.446 4.470 -0.001 0.000 0.286 350 S C 0.055 174.652 174.600 -0.005 0.000 1.314 350 S CA -0.014 58.175 58.200 -0.018 0.000 1.062 350 S CB 0.871 64.063 63.200 -0.013 0.000 0.865 350 S HN 0.156 nan 8.310 nan 0.000 0.498 351 D N 0.882 121.266 120.400 -0.027 0.000 2.538 351 D HA 0.628 5.268 4.640 -0.001 0.000 0.262 351 D C 1.262 177.551 176.300 -0.019 0.000 1.186 351 D CA 0.644 54.635 54.000 -0.014 0.000 1.090 351 D CB 0.013 40.797 40.800 -0.028 0.000 1.187 351 D HN 0.614 nan 8.370 nan 0.000 0.614 352 G N -0.084 108.709 108.800 -0.012 0.000 2.652 352 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.318 352 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.318 352 G C 1.175 176.173 174.900 0.163 0.000 1.295 352 G CA 0.893 46.001 45.100 0.012 0.000 0.999 352 G HN 0.523 nan 8.290 nan 0.000 0.548 353 W N 0.359 121.644 121.300 -0.025 0.000 2.350 353 W HA 0.252 4.912 4.660 -0.001 0.000 0.289 353 W C 2.883 179.460 176.519 0.097 0.000 1.215 353 W CA 1.713 59.056 57.345 -0.004 0.000 1.236 353 W CB -1.553 27.822 29.460 -0.142 0.000 1.130 353 W HN 0.904 nan 8.180 nan 0.000 0.541 354 A N 0.097 123.081 122.820 0.274 0.000 2.379 354 A HA 0.117 4.436 4.320 -0.001 0.000 0.236 354 A C 0.954 178.620 177.584 0.137 0.000 1.272 354 A CA -0.267 51.898 52.037 0.213 0.000 0.886 354 A CB -0.674 18.400 19.000 0.124 0.000 0.962 354 A HN 0.075 nan 8.150 nan 0.000 0.504 355 K N 0.731 121.205 120.400 0.123 0.000 2.447 355 K HA 0.350 4.669 4.320 -0.001 0.000 0.281 355 K C 0.432 177.090 176.600 0.097 0.000 1.031 355 K CA 0.604 56.943 56.287 0.087 0.000 1.019 355 K CB 0.218 32.760 32.500 0.071 0.000 0.918 355 K HN 0.249 nan 8.250 nan 0.000 0.476 356 G N 2.363 111.216 108.800 0.089 0.000 2.600 356 G HA2 0.176 4.135 3.960 -0.001 0.000 0.303 356 G HA3 0.176 4.135 3.960 -0.001 0.000 0.303 356 G C -1.204 173.753 174.900 0.096 0.000 1.253 356 G CA -0.988 44.178 45.100 0.109 0.000 0.974 356 G HN 0.836 nan 8.290 nan 0.000 0.483 357 N N 0.584 119.358 118.700 0.123 0.000 2.807 357 N HA 0.442 5.181 4.740 -0.001 0.000 0.259 357 N C 0.795 176.358 175.510 0.089 0.000 1.149 357 N CA 0.494 53.608 53.050 0.106 0.000 1.042 357 N CB -0.260 38.312 38.487 0.141 0.000 1.367 357 N HN 1.101 nan 8.380 nan 0.000 0.516 358 G N 0.534 109.374 108.800 0.066 0.000 2.782 358 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.228 358 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.228 358 G C -0.209 174.722 174.900 0.051 0.000 1.372 358 G CA -0.315 44.816 45.100 0.051 0.000 0.862 358 G HN 0.794 nan 8.290 nan 0.000 0.547 359 V N -1.474 118.463 119.914 0.038 0.000 2.785 359 V HA 0.855 4.974 4.120 -0.001 0.000 0.300 359 V C 1.203 177.320 176.094 0.039 0.000 1.062 359 V CA 0.155 62.476 62.300 0.035 0.000 1.029 359 V CB 0.940 32.775 31.823 0.021 0.000 1.024 359 V HN 2.612 nan 8.190 nan 0.000 0.477 360 A N 3.453 126.301 122.820 0.047 0.000 2.520 360 A HA 0.452 4.771 4.320 -0.001 0.000 0.235 360 A C 0.996 178.604 177.584 0.040 0.000 1.065 360 A CA 0.532 52.600 52.037 0.052 0.000 0.764 360 A CB -0.431 18.615 19.000 0.078 0.000 1.002 360 A HN 2.067 nan 8.150 nan 0.000 0.502 361 S N 0.907 116.624 115.700 0.028 0.000 2.542 361 S HA -0.065 4.404 4.470 -0.001 0.000 0.287 361 S C 0.957 175.571 174.600 0.024 0.000 1.315 361 S CA 0.821 59.026 58.200 0.009 0.000 1.037 361 S CB 0.432 63.617 63.200 -0.025 0.000 0.822 361 S HN 0.971 nan 8.310 nan 0.000 0.513 362 E N 3.083 123.292 120.200 0.015 0.000 2.085 362 E HA -0.070 4.280 4.350 -0.001 0.000 0.194 362 E C 2.010 178.626 176.600 0.027 0.000 0.994 362 E CA 1.888 58.310 56.400 0.038 0.000 0.801 362 E CB -1.126 28.591 29.700 0.030 0.000 0.743 362 E HN 0.851 nan 8.360 nan 0.000 0.453 363 G N 0.337 109.106 108.800 -0.052 0.000 2.402 363 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.216 363 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.216 363 G C 1.553 176.426 174.900 -0.046 0.000 1.162 363 G CA 1.115 46.133 45.100 -0.137 0.000 0.777 363 G HN 0.344 nan 8.290 nan 0.000 0.539 364 M N 0.803 120.419 119.600 0.027 0.000 2.086 364 M HA 0.052 4.532 4.480 -0.001 0.000 0.261 364 M C 2.491 178.964 176.300 0.288 0.000 1.067 364 M CA 1.341 56.802 55.300 0.268 0.000 1.116 364 M CB -0.439 32.297 32.600 0.227 0.000 1.348 364 M HN 0.145 nan 8.290 nan 0.000 0.407 365 R N -0.999 119.610 120.500 0.182 0.000 2.092 365 R HA -0.115 4.224 4.340 -0.001 0.000 0.231 365 R C 2.486 178.911 176.300 0.209 0.000 1.119 365 R CA 1.583 57.783 56.100 0.166 0.000 0.970 365 R CB -0.506 29.853 30.300 0.098 0.000 0.864 365 R HN 0.460 nan 8.270 nan 0.000 0.440 366 R N 0.214 120.844 120.500 0.217 0.000 2.081 366 R HA -0.162 4.178 4.340 -0.001 0.000 0.235 366 R C 2.045 178.557 176.300 0.353 0.000 1.131 366 R CA 1.482 57.734 56.100 0.253 0.000 0.960 366 R CB -0.296 30.118 30.300 0.191 0.000 0.856 366 R HN 0.151 nan 8.270 nan 0.000 0.436 367 F N 1.201 121.279 119.950 0.214 0.000 2.102 367 F HA -0.129 4.397 4.527 -0.001 0.000 0.298 367 F C 1.906 177.876 175.800 0.283 0.000 1.105 367 F CA 1.539 59.725 58.000 0.311 0.000 1.239 367 F CB -0.202 39.015 39.000 0.361 0.000 0.991 367 F HN -0.033 nan 8.300 nan 0.000 0.474 368 I N 0.155 120.895 120.570 0.284 0.000 2.226 368 I HA -0.254 3.915 4.170 -0.001 0.000 0.245 368 I C 2.747 178.901 176.117 0.062 0.000 1.100 368 I CA 1.398 62.775 61.300 0.129 0.000 1.374 368 I CB -1.363 36.753 38.000 0.193 0.000 1.057 368 I HN 0.324 nan 8.210 nan 0.000 0.413 369 G N 0.024 108.893 108.800 0.115 0.000 2.440 369 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.218 369 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.218 369 G C 1.563 176.491 174.900 0.047 0.000 1.154 369 G CA 0.884 46.041 45.100 0.096 0.000 0.767 369 G HN 0.293 nan 8.290 nan 0.000 0.552 370 Q N 0.145 119.976 119.800 0.051 0.000 2.084 370 Q HA 0.058 4.398 4.340 -0.001 0.000 0.202 370 Q C 2.555 178.489 176.000 -0.109 0.000 0.978 370 Q CA 1.020 56.804 55.803 -0.032 0.000 0.844 370 Q CB -0.405 28.326 28.738 -0.012 0.000 0.898 370 Q HN 0.536 nan 8.270 nan 0.000 0.426 371 L N -0.471 120.650 121.223 -0.169 0.000 2.012 371 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 371 L C 2.339 179.161 176.870 -0.079 0.000 1.073 371 L CA 1.160 55.903 54.840 -0.162 0.000 0.748 371 L CB -0.644 41.291 42.059 -0.206 0.000 0.891 371 L HN 0.271 nan 8.230 nan 0.000 0.431 372 L N -0.383 120.814 121.223 -0.043 0.000 2.042 372 L HA -0.256 4.084 4.340 -0.001 0.000 0.210 372 L C 2.531 179.380 176.870 -0.036 0.000 1.076 372 L CA 1.447 56.277 54.840 -0.017 0.000 0.749 372 L CB -0.462 41.605 42.059 0.014 0.000 0.893 372 L HN 0.221 nan 8.230 nan 0.000 0.432 373 I N -0.108 120.437 120.570 -0.042 0.000 2.179 373 I HA -0.294 3.875 4.170 -0.001 0.000 0.242 373 I C 2.230 178.304 176.117 -0.071 0.000 1.088 373 I CA 1.195 62.461 61.300 -0.058 0.000 1.357 373 I CB -0.445 37.529 38.000 -0.044 0.000 1.051 373 I HN 0.335 nan 8.210 nan 0.000 0.409 374 N N 0.866 119.521 118.700 -0.075 0.000 2.104 374 N HA -0.237 4.502 4.740 -0.001 0.000 0.190 374 N C 1.566 177.044 175.510 -0.053 0.000 1.024 374 N CA 1.316 54.322 53.050 -0.074 0.000 0.853 374 N CB -0.820 37.613 38.487 -0.090 0.000 1.008 374 N HN 0.416 nan 8.380 nan 0.000 0.424 375 N N 0.819 119.491 118.700 -0.045 0.000 2.381 375 N HA -0.066 4.674 4.740 -0.001 0.000 0.182 375 N C 1.502 177.011 175.510 -0.001 0.000 1.025 375 N CA 0.279 53.315 53.050 -0.023 0.000 0.888 375 N CB 0.077 38.551 38.487 -0.021 0.000 0.965 375 N HN 0.211 nan 8.380 nan 0.000 0.438 376 L N 0.352 121.561 121.223 -0.022 0.000 2.046 376 L HA -0.137 4.202 4.340 -0.001 0.000 0.208 376 L C 2.523 179.432 176.870 0.065 0.000 1.077 376 L CA 0.851 55.687 54.840 -0.006 0.000 0.747 376 L CB -0.511 41.379 42.059 -0.281 0.000 0.896 376 L HN 0.102 nan 8.230 nan 0.000 0.432 377 S N -0.607 115.109 115.700 0.026 0.000 2.370 377 S HA -0.284 4.186 4.470 -0.001 0.000 0.226 377 S C 1.934 176.599 174.600 0.108 0.000 1.033 377 S CA 1.572 59.811 58.200 0.065 0.000 1.011 377 S CB -0.221 62.991 63.200 0.021 0.000 0.852 377 S HN 0.368 nan 8.310 nan 0.000 0.457 378 Q N 1.126 120.968 119.800 0.070 0.000 2.123 378 Q HA 0.083 4.422 4.340 -0.001 0.000 0.199 378 Q C 1.857 177.927 176.000 0.117 0.000 0.966 378 Q CA 1.294 57.152 55.803 0.092 0.000 0.845 378 Q CB -0.423 28.334 28.738 0.031 0.000 0.907 378 Q HN 0.587 nan 8.270 nan 0.000 0.439 379 I N 0.477 121.082 120.570 0.059 0.000 2.163 379 I HA -0.283 3.886 4.170 -0.001 0.000 0.243 379 I C 1.634 177.748 176.117 -0.004 0.000 1.085 379 I CA 1.450 62.734 61.300 -0.026 0.000 1.347 379 I CB -0.392 37.505 38.000 -0.172 0.000 1.044 379 I HN 0.199 nan 8.210 nan 0.000 0.408 380 D N 0.040 120.512 120.400 0.121 0.000 2.144 380 D HA -0.230 4.409 4.640 -0.001 0.000 0.199 380 D C 1.901 178.250 176.300 0.082 0.000 0.984 380 D CA 1.146 55.225 54.000 0.132 0.000 0.834 380 D CB -0.278 40.643 40.800 0.203 0.000 0.955 380 D HN 0.379 nan 8.370 nan 0.000 0.465 381 Y N 1.048 121.349 120.300 0.000 0.000 2.097 381 Y HA -0.283 4.266 4.550 -0.001 0.000 0.282 381 Y C 2.154 178.010 175.900 -0.073 0.000 1.152 381 Y CA 1.568 59.664 58.100 -0.006 0.000 1.136 381 Y CB -0.349 38.147 38.460 0.059 0.000 0.975 381 Y HN -0.158 nan 8.280 nan 0.000 0.498 382 V N -0.927 119.022 119.914 0.057 0.000 2.270 382 V HA -0.300 3.819 4.120 -0.001 0.000 0.245 382 V C 2.382 178.352 176.094 -0.208 0.000 1.043 382 V CA 1.628 63.838 62.300 -0.151 0.000 1.014 382 V CB -1.128 30.521 31.823 -0.290 0.000 0.645 382 V HN 0.363 nan 8.190 nan 0.000 0.447 383 V N 1.022 120.831 119.914 -0.176 0.000 2.231 383 V HA -0.381 3.738 4.120 -0.001 0.000 0.250 383 V C 2.444 178.424 176.094 -0.190 0.000 1.058 383 V CA 2.736 64.908 62.300 -0.214 0.000 1.022 383 V CB -0.938 30.757 31.823 -0.213 0.000 0.640 383 V HN 0.726 nan 8.190 nan 0.000 0.445 384 N N -0.296 118.301 118.700 -0.172 0.000 2.149 384 N HA -0.199 4.540 4.740 -0.001 0.000 0.188 384 N C 2.056 177.406 175.510 -0.266 0.000 1.019 384 N CA 1.583 54.526 53.050 -0.178 0.000 0.857 384 N CB 0.013 38.417 38.487 -0.138 0.000 0.997 384 N HN 0.476 nan 8.380 nan 0.000 0.426 385 R N -1.140 119.100 120.500 -0.433 0.000 2.100 385 R HA 0.047 4.387 4.340 -0.001 0.000 0.220 385 R C 1.155 177.077 176.300 -0.630 0.000 1.091 385 R CA 0.851 56.578 56.100 -0.623 0.000 0.986 385 R CB 0.050 29.770 30.300 -0.966 0.000 0.888 385 R HN 0.395 nan 8.270 nan 0.000 0.444 386 H N -1.813 117.155 119.070 -0.169 0.000 2.986 386 H HA 0.248 4.803 4.556 -0.001 0.000 0.267 386 H C 0.946 176.206 175.328 -0.114 0.000 1.072 386 H CA 0.672 56.645 56.048 -0.125 0.000 1.202 386 H CB 1.373 31.054 29.762 -0.136 0.000 1.535 386 H HN 0.379 nan 8.280 nan 0.000 0.522 387 G N 0.875 109.635 108.800 -0.067 0.000 2.176 387 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.252 387 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.252 387 G C 0.686 175.525 174.900 -0.102 0.000 1.024 387 G CA 0.682 45.734 45.100 -0.080 0.000 0.755 387 G HN 0.933 nan 8.290 nan 0.000 0.507 388 G N -0.844 107.864 108.800 -0.154 0.000 2.403 388 G HA2 0.539 4.498 3.960 -0.001 0.000 0.223 388 G HA3 0.539 4.498 3.960 -0.001 0.000 0.223 388 G C 0.097 174.961 174.900 -0.061 0.000 1.287 388 G CA 0.325 45.320 45.100 -0.176 0.000 0.982 388 G HN 1.228 nan 8.290 nan 0.000 0.471 389 R N -0.259 120.296 120.500 0.091 0.000 2.738 389 R HA 0.414 4.753 4.340 -0.001 0.000 0.275 389 R C -0.281 175.968 176.300 -0.085 0.000 1.121 389 R CA -0.389 55.732 56.100 0.035 0.000 1.207 389 R CB 0.108 30.457 30.300 0.083 0.000 1.141 389 R HN 0.520 nan 8.270 nan 0.000 0.571 390 Y N 0.970 121.229 120.300 -0.069 0.000 2.788 390 Y HA 0.009 4.558 4.550 -0.001 0.000 0.341 390 Y C -1.321 174.431 175.900 -0.247 0.000 1.258 390 Y CA -0.808 57.118 58.100 -0.289 0.000 1.503 390 Y CB 0.040 38.360 38.460 -0.234 0.000 1.325 390 Y HN 0.520 nan 8.280 nan 0.000 0.614 391 P HA 0.024 nan 4.420 nan 0.000 0.272 391 P C -2.305 174.970 177.300 -0.042 0.000 1.240 391 P CA -1.492 61.562 63.100 -0.078 0.000 0.791 391 P CB 0.572 32.224 31.700 -0.081 0.000 0.978 392 P HA -0.212 nan 4.420 nan 0.000 0.217 392 P C 1.114 178.391 177.300 -0.038 0.000 1.151 392 P CA 1.803 64.888 63.100 -0.024 0.000 0.849 392 P CB -0.423 31.266 31.700 -0.018 0.000 0.787 393 N N -1.500 117.175 118.700 -0.041 0.000 2.571 393 N HA -0.116 4.623 4.740 -0.001 0.000 0.189 393 N C 0.676 176.139 175.510 -0.078 0.000 1.154 393 N CA 1.069 54.089 53.050 -0.050 0.000 0.907 393 N CB -0.759 37.707 38.487 -0.034 0.000 0.977 393 N HN 0.061 nan 8.380 nan 0.000 0.449 394 D N -0.949 119.391 120.400 -0.100 0.000 2.540 394 D HA 0.232 4.871 4.640 -0.001 0.000 0.229 394 D C 1.237 177.419 176.300 -0.196 0.000 1.250 394 D CA -0.284 53.612 54.000 -0.173 0.000 0.817 394 D CB 0.314 40.990 40.800 -0.207 0.000 1.060 394 D HN 0.006 nan 8.370 nan 0.000 0.508 395 I N -0.015 120.490 120.570 -0.108 0.000 2.333 395 I HA 0.139 4.309 4.170 -0.001 0.000 0.246 395 I C 1.675 177.719 176.117 -0.122 0.000 1.106 395 I CA 0.795 62.048 61.300 -0.078 0.000 1.411 395 I CB -0.804 37.181 38.000 -0.025 0.000 1.082 395 I HN -0.016 nan 8.210 nan 0.000 0.420 396 G N -0.294 108.433 108.800 -0.121 0.000 2.695 396 G HA2 0.169 4.128 3.960 -0.001 0.000 0.213 396 G HA3 0.169 4.128 3.960 -0.001 0.000 0.213 396 G C -0.216 174.556 174.900 -0.213 0.000 1.406 396 G CA -0.354 44.656 45.100 -0.151 0.000 1.049 396 G HN 0.208 nan 8.290 nan 0.000 0.573 397 H N -0.103 118.904 119.070 -0.105 0.000 2.803 397 H HA 0.403 4.958 4.556 -0.001 0.000 0.330 397 H C 0.326 175.544 175.328 -0.184 0.000 1.057 397 H CA 0.825 56.786 56.048 -0.145 0.000 1.458 397 H CB 1.450 31.123 29.762 -0.147 0.000 1.470 397 H HN 0.490 nan 8.280 nan 0.000 0.560 398 A N 3.722 126.490 122.820 -0.086 0.000 2.524 398 A HA 0.138 4.457 4.320 -0.001 0.000 0.267 398 A C 0.237 177.730 177.584 -0.151 0.000 0.881 398 A CA -0.508 51.450 52.037 -0.133 0.000 1.077 398 A CB 0.147 19.073 19.000 -0.122 0.000 1.220 398 A HN 0.603 nan 8.150 nan 0.000 0.488 399 E N 0.121 120.222 120.200 -0.166 0.000 2.467 399 E HA 0.188 4.538 4.350 -0.001 0.000 0.264 399 E C 0.950 177.542 176.600 -0.013 0.000 1.020 399 E CA 0.266 56.605 56.400 -0.102 0.000 0.945 399 E CB 0.509 30.237 29.700 0.048 0.000 0.942 399 E HN 0.302 nan 8.360 nan 0.000 0.449 400 R N 1.134 121.626 120.500 -0.013 0.000 2.156 400 R HA 0.132 4.471 4.340 -0.001 0.000 0.207 400 R C -0.256 176.224 176.300 0.300 0.000 1.040 400 R CA 0.642 56.790 56.100 0.080 0.000 1.013 400 R CB 0.116 30.261 30.300 -0.259 0.000 0.931 400 R HN 0.673 nan 8.270 nan 0.000 0.465 401 Y N -3.033 117.315 120.300 0.080 0.000 2.644 401 Y HA 0.614 5.163 4.550 -0.001 0.000 0.338 401 Y C -0.649 175.140 175.900 -0.185 0.000 1.119 401 Y CA -1.886 56.120 58.100 -0.157 0.000 1.060 401 Y CB 1.041 39.403 38.460 -0.163 0.000 1.294 401 Y HN -0.315 nan 8.280 nan 0.000 0.472 402 I N 2.220 122.644 120.570 -0.244 0.000 2.353 402 I HA 0.347 4.517 4.170 -0.001 0.000 0.293 402 I C -0.177 176.089 176.117 0.248 0.000 0.992 402 I CA -0.557 60.722 61.300 -0.035 0.000 1.268 402 I CB 1.697 39.573 38.000 -0.207 0.000 1.387 402 I HN 0.673 nan 8.210 nan 0.000 0.478 403 S N 6.448 122.339 115.700 0.318 0.000 2.437 403 S HA 0.666 5.136 4.470 -0.001 0.000 0.305 403 S C -0.638 174.157 174.600 0.326 0.000 1.109 403 S CA -0.608 57.827 58.200 0.391 0.000 1.099 403 S CB 0.973 64.436 63.200 0.438 0.000 1.004 403 S HN 0.431 nan 8.310 nan 0.000 0.475 404 V N 2.570 122.610 119.914 0.210 0.000 2.735 404 V HA 1.051 5.170 4.120 -0.001 0.000 0.310 404 V C 0.614 176.669 176.094 -0.064 0.000 1.061 404 V CA 0.324 62.694 62.300 0.117 0.000 0.913 404 V CB 0.628 32.523 31.823 0.119 0.000 1.005 404 V HN 1.385 nan 8.190 nan 0.000 0.428 405 G N 3.348 112.075 108.800 -0.121 0.000 2.541 405 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.208 405 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.208 405 G C -0.145 174.688 174.900 -0.111 0.000 1.191 405 G CA 0.324 45.095 45.100 -0.548 0.000 1.217 405 G HN 0.723 nan 8.290 nan 0.000 0.566 406 D N 2.078 122.356 120.400 -0.203 0.000 2.360 406 D HA 0.440 5.079 4.640 -0.001 0.000 0.210 406 D C 1.392 177.658 176.300 -0.056 0.000 1.047 406 D CA 1.877 55.938 54.000 0.102 0.000 0.854 406 D CB 0.386 41.230 40.800 0.074 0.000 0.936 406 D HN 1.779 nan 8.370 nan 0.000 0.514 407 G N 0.607 109.196 108.800 -0.350 0.000 2.787 407 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.685 407 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.685 407 G C -0.731 173.816 174.900 -0.588 0.000 1.437 407 G CA -0.925 43.700 45.100 -0.791 0.000 0.872 407 G HN 0.114 nan 8.290 nan 0.000 0.566 408 F N 0.872 120.669 119.950 -0.255 0.000 2.410 408 F HA 0.377 4.903 4.527 -0.001 0.000 0.349 408 F C 1.446 177.182 175.800 -0.108 0.000 1.117 408 F CA -0.559 57.339 58.000 -0.170 0.000 1.104 408 F CB 1.547 40.448 39.000 -0.166 0.000 1.122 408 F HN 0.436 nan 8.300 nan 0.000 0.483 409 D N 1.949 122.412 120.400 0.104 0.000 2.178 409 D HA -0.123 4.516 4.640 -0.001 0.000 0.202 409 D C 1.554 177.908 176.300 0.090 0.000 0.974 409 D CA 1.433 55.476 54.000 0.073 0.000 0.841 409 D CB 0.097 40.939 40.800 0.069 0.000 0.953 409 D HN 0.620 nan 8.370 nan 0.000 0.478 410 E N -0.276 120.002 120.200 0.129 0.000 2.299 410 E HA -0.021 4.329 4.350 -0.001 0.000 0.193 410 E C 0.929 177.580 176.600 0.085 0.000 0.998 410 E CA 0.213 56.680 56.400 0.112 0.000 0.851 410 E CB 0.494 30.268 29.700 0.123 0.000 0.795 410 E HN 0.164 nan 8.360 nan 0.000 0.492 411 V N -0.905 119.057 119.914 0.080 0.000 2.572 411 V HA 0.323 4.442 4.120 -0.001 0.000 0.274 411 V C -0.528 175.593 176.094 0.045 0.000 1.075 411 V CA -0.716 61.614 62.300 0.050 0.000 1.237 411 V CB 0.203 32.058 31.823 0.053 0.000 1.517 411 V HN -0.063 nan 8.190 nan 0.000 0.616 412 Q N 2.394 122.223 119.800 0.049 0.000 2.571 412 Q HA 0.647 4.986 4.340 -0.001 0.000 0.222 412 Q C -0.856 175.186 176.000 0.069 0.000 1.167 412 Q CA 0.064 55.891 55.803 0.041 0.000 0.966 412 Q CB 1.322 30.088 28.738 0.048 0.000 1.274 412 Q HN 0.753 nan 8.270 nan 0.000 0.552 413 I N 0.990 121.527 120.570 -0.055 0.000 2.533 413 I HA 0.330 4.499 4.170 -0.001 0.000 0.290 413 I C -0.051 175.889 176.117 -0.294 0.000 1.056 413 I CA -0.997 60.168 61.300 -0.225 0.000 1.057 413 I CB 2.123 40.028 38.000 -0.159 0.000 1.240 413 I HN 0.342 nan 8.210 nan 0.000 0.423 414 R N 4.949 125.189 120.500 -0.432 0.000 2.504 414 R HA -0.048 4.291 4.340 -0.001 0.000 0.291 414 R C 0.422 176.536 176.300 -0.310 0.000 0.974 414 R CA 0.661 56.546 56.100 -0.358 0.000 1.077 414 R CB 0.068 30.114 30.300 -0.423 0.000 0.926 414 R HN 0.751 nan 8.270 nan 0.000 0.407 415 N N 1.859 120.401 118.700 -0.263 0.000 2.800 415 N HA -0.227 4.513 4.740 -0.001 0.000 0.250 415 N C 0.276 175.658 175.510 -0.213 0.000 1.078 415 N CA 1.124 54.039 53.050 -0.225 0.000 0.804 415 N CB -0.757 37.575 38.487 -0.258 0.000 1.135 415 N HN 0.587 nan 8.380 nan 0.000 0.565 416 L N -0.891 120.185 121.223 -0.245 0.000 2.168 416 L HA 0.446 4.785 4.340 -0.001 0.000 0.203 416 L C 0.650 177.212 176.870 -0.513 0.000 1.078 416 L CA 1.996 56.643 54.840 -0.321 0.000 0.780 416 L CB -0.005 41.893 42.059 -0.268 0.000 0.939 416 L HN 0.231 nan 8.230 nan 0.000 0.451 417 A N -1.971 120.584 122.820 -0.441 0.000 2.520 417 A HA 0.396 4.716 4.320 -0.001 0.000 0.298 417 A C -1.882 175.640 177.584 -0.103 0.000 1.051 417 A CA -0.460 51.258 52.037 -0.533 0.000 0.690 417 A CB 0.235 18.703 19.000 -0.887 0.000 1.281 417 A HN 0.161 nan 8.150 nan 0.000 0.402 418 Y N 2.200 122.469 120.300 -0.051 0.000 2.359 418 Y HA 0.513 5.062 4.550 -0.001 0.000 0.334 418 Y C -1.007 174.948 175.900 0.091 0.000 1.058 418 Y CA 0.027 58.160 58.100 0.056 0.000 1.244 418 Y CB 0.606 39.152 38.460 0.142 0.000 1.187 418 Y HN 0.679 nan 8.280 nan 0.000 0.510 419 Y N 6.211 126.266 120.300 -0.408 0.000 2.328 419 Y HA 0.722 5.272 4.550 -0.001 0.000 0.333 419 Y C -1.428 174.248 175.900 -0.373 0.000 0.958 419 Y CA -1.791 56.158 58.100 -0.252 0.000 1.167 419 Y CB 0.877 39.253 38.460 -0.141 0.000 1.151 419 Y HN 0.762 nan 8.280 nan 0.000 0.470 420 A N 6.456 128.953 122.820 -0.538 0.000 2.291 420 A HA 0.308 4.627 4.320 -0.001 0.000 0.311 420 A C -1.308 175.883 177.584 -0.655 0.000 1.224 420 A CA -0.676 50.993 52.037 -0.612 0.000 0.821 420 A CB 0.106 19.011 19.000 -0.158 0.000 1.172 420 A HN 0.893 nan 8.150 nan 0.000 0.494 421 H N 3.978 122.425 119.070 -1.039 0.000 2.742 421 H HA 0.530 5.086 4.556 -0.001 0.000 0.302 421 H C -1.197 173.927 175.328 -0.340 0.000 1.069 421 H CA 0.360 56.052 56.048 -0.593 0.000 1.446 421 H CB 0.446 29.869 29.762 -0.565 0.000 1.462 421 H HN 0.694 nan 8.280 nan 0.000 0.499 422 L N 2.610 123.522 121.223 -0.518 0.000 2.653 422 L HA 0.338 4.677 4.340 -0.001 0.000 0.257 422 L C -0.567 176.260 176.870 -0.073 0.000 0.969 422 L CA -0.806 53.885 54.840 -0.248 0.000 0.869 422 L CB 1.738 43.762 42.059 -0.059 0.000 1.439 422 L HN 0.287 nan 8.230 nan 0.000 0.414 423 D N -0.043 120.347 120.400 -0.017 0.000 2.392 423 D HA 0.129 4.768 4.640 -0.001 0.000 0.206 423 D C 0.202 176.514 176.300 0.019 0.000 1.046 423 D CA 1.342 55.352 54.000 0.017 0.000 0.865 423 D CB 0.962 41.742 40.800 -0.035 0.000 0.969 423 D HN 0.860 nan 8.370 nan 0.000 0.509 424 T N -3.080 111.500 114.554 0.043 0.000 2.900 424 T HA 0.348 4.697 4.350 -0.001 0.000 0.303 424 T C 1.083 175.824 174.700 0.068 0.000 1.142 424 T CA -0.694 61.435 62.100 0.048 0.000 1.007 424 T CB 2.020 70.905 68.868 0.028 0.000 1.156 424 T HN -0.287 nan 8.240 nan 0.000 0.490 425 V N 1.318 121.277 119.914 0.075 0.000 2.427 425 V HA -0.086 4.033 4.120 -0.001 0.000 0.248 425 V C 2.778 178.909 176.094 0.061 0.000 1.051 425 V CA 2.238 64.588 62.300 0.083 0.000 1.048 425 V CB -0.841 31.037 31.823 0.090 0.000 0.666 425 V HN 1.091 nan 8.190 nan 0.000 0.456 426 E N 0.423 120.648 120.200 0.042 0.000 2.097 426 E HA -0.296 4.053 4.350 -0.001 0.000 0.196 426 E C 2.052 178.675 176.600 0.037 0.000 1.000 426 E CA 1.930 58.348 56.400 0.029 0.000 0.804 426 E CB -0.051 29.659 29.700 0.017 0.000 0.740 426 E HN 0.725 nan 8.360 nan 0.000 0.454 427 E N -0.562 119.666 120.200 0.047 0.000 2.318 427 E HA 0.045 4.395 4.350 -0.001 0.000 0.193 427 E C 0.437 177.083 176.600 0.077 0.000 0.998 427 E CA 0.243 56.676 56.400 0.055 0.000 0.859 427 E CB 0.323 30.058 29.700 0.058 0.000 0.812 427 E HN 0.213 nan 8.360 nan 0.000 0.492 428 N N -0.067 118.685 118.700 0.086 0.000 2.497 428 N HA 0.183 4.922 4.740 -0.001 0.000 0.284 428 N C 0.307 175.880 175.510 0.106 0.000 1.459 428 N CA 0.038 53.155 53.050 0.112 0.000 0.899 428 N CB 1.423 39.977 38.487 0.112 0.000 1.316 428 N HN -0.001 nan 8.380 nan 0.000 0.500 429 A N 0.872 123.745 122.820 0.088 0.000 1.972 429 A HA -0.075 4.245 4.320 -0.001 0.000 0.219 429 A C 2.055 179.706 177.584 0.112 0.000 1.169 429 A CA 0.629 52.721 52.037 0.091 0.000 0.635 429 A CB -0.204 18.828 19.000 0.053 0.000 0.810 429 A HN 0.326 nan 8.150 nan 0.000 0.446 430 I N 0.585 121.215 120.570 0.099 0.000 2.315 430 I HA -0.231 3.939 4.170 -0.001 0.000 0.248 430 I C 1.418 177.614 176.117 0.131 0.000 1.117 430 I CA 2.249 63.610 61.300 0.101 0.000 1.404 430 I CB -0.886 37.160 38.000 0.077 0.000 1.071 430 I HN 0.387 nan 8.210 nan 0.000 0.419 431 D N 0.016 120.507 120.400 0.153 0.000 2.144 431 D HA -0.161 4.478 4.640 -0.001 0.000 0.199 431 D C 2.259 178.701 176.300 0.237 0.000 0.984 431 D CA 1.027 55.150 54.000 0.204 0.000 0.834 431 D CB -0.038 40.847 40.800 0.141 0.000 0.955 431 D HN 0.189 nan 8.370 nan 0.000 0.465 432 V N 1.199 121.222 119.914 0.182 0.000 2.358 432 V HA -0.192 3.927 4.120 -0.001 0.000 0.246 432 V C 1.645 177.813 176.094 0.124 0.000 1.047 432 V CA 1.661 64.063 62.300 0.171 0.000 1.035 432 V CB -0.394 31.562 31.823 0.222 0.000 0.658 432 V HN 0.137 nan 8.190 nan 0.000 0.452 433 D N 0.144 120.656 120.400 0.186 0.000 2.144 433 D HA -0.128 4.511 4.640 -0.001 0.000 0.199 433 D C 2.160 178.472 176.300 0.020 0.000 0.984 433 D CA 1.163 55.280 54.000 0.194 0.000 0.834 433 D CB -0.312 40.602 40.800 0.190 0.000 0.955 433 D HN 0.316 nan 8.370 nan 0.000 0.465 434 V N 0.926 120.839 119.914 -0.001 0.000 2.358 434 V HA -0.138 3.981 4.120 -0.001 0.000 0.246 434 V C 2.545 178.405 176.094 -0.390 0.000 1.047 434 V CA 1.984 64.228 62.300 -0.092 0.000 1.035 434 V CB -0.955 30.902 31.823 0.056 0.000 0.658 434 V HN 0.243 nan 8.190 nan 0.000 0.452 435 G N 0.227 108.618 108.800 -0.681 0.000 2.418 435 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.217 435 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.217 435 G C 1.476 176.135 174.900 -0.401 0.000 1.158 435 G CA 0.905 45.377 45.100 -1.046 0.000 0.771 435 G HN 0.382 nan 8.290 nan 0.000 0.545 436 I N 1.479 121.850 120.570 -0.332 0.000 2.226 436 I HA -0.124 4.045 4.170 -0.001 0.000 0.245 436 I C 2.924 178.918 176.117 -0.204 0.000 1.100 436 I CA 1.527 62.626 61.300 -0.336 0.000 1.374 436 I CB -1.620 35.971 38.000 -0.681 0.000 1.057 436 I HN 0.121 nan 8.210 nan 0.000 0.413 437 T N 1.870 116.322 114.554 -0.171 0.000 2.635 437 T HA -0.194 4.156 4.350 -0.001 0.000 0.267 437 T C 2.084 176.683 174.700 -0.170 0.000 1.040 437 T CA 1.645 63.667 62.100 -0.129 0.000 1.156 437 T CB -0.448 68.358 68.868 -0.104 0.000 0.863 437 T HN 0.218 nan 8.240 nan 0.000 0.430 438 I N -0.033 120.379 120.570 -0.262 0.000 2.151 438 I HA -0.186 3.983 4.170 -0.001 0.000 0.243 438 I C 1.954 177.868 176.117 -0.339 0.000 1.080 438 I CA 1.564 62.639 61.300 -0.375 0.000 1.339 438 I CB -0.378 37.268 38.000 -0.589 0.000 1.039 438 I HN 0.153 nan 8.210 nan 0.000 0.409 439 F N 0.359 120.148 119.950 -0.269 0.000 2.661 439 F HA -0.095 4.431 4.527 -0.001 0.000 0.298 439 F C 2.475 178.181 175.800 -0.156 0.000 1.137 439 F CA 0.930 58.814 58.000 -0.192 0.000 1.454 439 F CB -0.667 38.221 39.000 -0.187 0.000 1.103 439 F HN -0.023 nan 8.300 nan 0.000 0.577 440 T N -0.144 114.382 114.554 -0.045 0.000 2.777 440 T HA -0.161 4.189 4.350 -0.001 0.000 0.266 440 T C 1.929 176.585 174.700 -0.073 0.000 1.040 440 T CA 1.344 63.410 62.100 -0.056 0.000 1.141 440 T CB -0.087 68.746 68.868 -0.059 0.000 0.868 440 T HN 0.251 nan 8.240 nan 0.000 0.444 441 K N 0.556 120.892 120.400 -0.107 0.000 2.031 441 K HA 0.072 4.391 4.320 -0.001 0.000 0.205 441 K C 2.081 178.604 176.600 -0.128 0.000 1.049 441 K CA 0.752 56.976 56.287 -0.106 0.000 0.939 441 K CB -0.281 32.153 32.500 -0.109 0.000 0.717 441 K HN 0.102 nan 8.250 nan 0.000 0.438 442 L N 1.521 122.620 121.223 -0.207 0.000 2.027 442 L HA -0.142 4.197 4.340 -0.001 0.000 0.206 442 L C 1.625 178.418 176.870 -0.128 0.000 1.074 442 L CA 1.797 56.498 54.840 -0.233 0.000 0.745 442 L CB -0.618 41.140 42.059 -0.501 0.000 0.898 442 L HN 0.187 nan 8.230 nan 0.000 0.433 443 N N -1.890 116.768 118.700 -0.071 0.000 2.591 443 N HA 0.133 4.873 4.740 -0.001 0.000 0.200 443 N C 1.750 177.228 175.510 -0.054 0.000 1.040 443 N CA 0.422 53.461 53.050 -0.019 0.000 0.911 443 N CB -0.163 38.394 38.487 0.116 0.000 1.259 443 N HN 0.058 nan 8.380 nan 0.000 0.438 444 L N 1.143 122.344 121.223 -0.037 0.000 2.083 444 L HA -0.088 4.252 4.340 -0.001 0.000 0.209 444 L C 2.087 178.927 176.870 -0.051 0.000 1.083 444 L CA 1.238 56.050 54.840 -0.047 0.000 0.752 444 L CB -0.658 41.379 42.059 -0.035 0.000 0.899 444 L HN 0.238 nan 8.230 nan 0.000 0.433 445 S N 0.875 116.545 115.700 -0.051 0.000 2.465 445 S HA -0.224 4.246 4.470 -0.001 0.000 0.241 445 S C 1.684 176.254 174.600 -0.049 0.000 1.000 445 S CA 1.152 59.323 58.200 -0.047 0.000 0.964 445 S CB -0.435 62.736 63.200 -0.049 0.000 0.763 445 S HN 0.671 nan 8.310 nan 0.000 0.512 446 R N -0.281 120.183 120.500 -0.060 0.000 2.629 446 R HA 0.488 4.827 4.340 -0.001 0.000 0.386 446 R C 1.173 177.426 176.300 -0.078 0.000 1.071 446 R CA 0.200 56.263 56.100 -0.062 0.000 1.104 446 R CB -0.533 29.733 30.300 -0.057 0.000 1.370 446 R HN 0.406 nan 8.270 nan 0.000 0.574 447 G N 1.456 110.209 108.800 -0.079 0.000 2.168 447 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.263 447 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.263 447 G C -0.002 174.812 174.900 -0.143 0.000 0.977 447 G CA 0.424 45.471 45.100 -0.088 0.000 0.659 447 G HN 0.277 nan 8.290 nan 0.000 0.533 448 L N 1.081 122.182 121.223 -0.203 0.000 2.350 448 L HA 0.419 4.758 4.340 -0.001 0.000 0.275 448 L C -1.630 175.065 176.870 -0.291 0.000 1.099 448 L CA -2.214 52.386 54.840 -0.401 0.000 0.808 448 L CB 1.109 42.843 42.059 -0.543 0.000 1.149 448 L HN -0.101 nan 8.230 nan 0.000 0.442 449 P HA 0.114 nan 4.420 nan 0.000 0.272 449 P C -0.655 176.683 177.300 0.063 0.000 1.240 449 P CA -0.139 62.932 63.100 -0.048 0.000 0.791 449 P CB 0.535 32.309 31.700 0.123 0.000 0.978 450 I N 2.605 123.191 120.570 0.026 0.000 2.301 450 I HA 0.231 4.400 4.170 -0.001 0.000 0.292 450 I C -2.083 173.970 176.117 -0.108 0.000 1.046 450 I CA -2.244 59.028 61.300 -0.047 0.000 1.282 450 I CB 0.975 38.859 38.000 -0.194 0.000 1.409 450 I HN 0.120 nan 8.210 nan 0.000 0.484 451 P HA 0.416 nan 4.420 nan 0.000 0.286 451 P C -0.693 176.483 177.300 -0.206 0.000 1.269 451 P CA -0.195 62.850 63.100 -0.092 0.000 0.787 451 P CB 1.096 32.789 31.700 -0.012 0.000 0.920 452 I N 2.033 122.478 120.570 -0.209 0.000 2.478 452 I HA 0.517 4.687 4.170 -0.001 0.000 0.287 452 I C -0.165 175.987 176.117 0.060 0.000 1.042 452 I CA -0.927 60.299 61.300 -0.124 0.000 1.067 452 I CB 2.079 39.919 38.000 -0.265 0.000 1.233 452 I HN 0.267 nan 8.210 nan 0.000 0.431 453 A N 7.886 130.796 122.820 0.150 0.000 2.260 453 A HA 0.785 5.104 4.320 -0.001 0.000 0.314 453 A C -0.552 177.178 177.584 0.244 0.000 1.257 453 A CA -0.356 51.802 52.037 0.202 0.000 0.871 453 A CB 0.287 19.407 19.000 0.200 0.000 1.166 453 A HN 0.680 nan 8.150 nan 0.000 0.522 454 I N 2.572 123.281 120.570 0.232 0.000 2.321 454 I HA 0.374 4.544 4.170 -0.001 0.000 0.291 454 I C -0.299 175.869 176.117 0.085 0.000 0.998 454 I CA -0.208 61.180 61.300 0.146 0.000 1.227 454 I CB 1.263 39.400 38.000 0.228 0.000 1.368 454 I HN 0.816 nan 8.210 nan 0.000 0.466 455 H N 5.867 124.743 119.070 -0.323 0.000 2.966 455 H HA 0.549 5.104 4.556 -0.001 0.000 0.347 455 H C -1.947 173.051 175.328 -0.550 0.000 1.048 455 H CA -0.497 55.337 56.048 -0.358 0.000 1.295 455 H CB 1.158 30.512 29.762 -0.681 0.000 1.744 455 H HN 0.407 nan 8.280 nan 0.000 0.513 456 Y N 2.689 122.672 120.300 -0.529 0.000 2.545 456 Y HA 0.541 5.091 4.550 -0.001 0.000 0.348 456 Y C -0.208 175.487 175.900 -0.341 0.000 1.002 456 Y CA -1.260 56.647 58.100 -0.323 0.000 1.039 456 Y CB 1.580 39.969 38.460 -0.118 0.000 1.271 456 Y HN 0.399 nan 8.280 nan 0.000 0.467 457 R N 1.740 122.259 120.500 0.032 0.000 2.486 457 R HA 0.393 4.732 4.340 -0.001 0.000 0.286 457 R C -1.216 175.165 176.300 0.135 0.000 0.999 457 R CA -0.760 55.355 56.100 0.025 0.000 0.993 457 R CB 0.941 31.242 30.300 0.002 0.000 1.084 457 R HN 0.822 nan 8.270 nan 0.000 0.487 458 Y N -2.206 118.090 120.300 -0.007 0.000 2.638 458 Y HA 0.508 5.058 4.550 -0.001 0.000 0.339 458 Y C -0.871 175.032 175.900 0.004 0.000 1.084 458 Y CA -1.485 56.613 58.100 -0.003 0.000 1.068 458 Y CB 1.436 39.889 38.460 -0.011 0.000 1.294 458 Y HN 0.335 nan 8.280 nan 0.000 0.480 459 D N 2.856 123.300 120.400 0.074 0.000 2.454 459 D HA 0.341 4.981 4.640 -0.001 0.000 0.225 459 D C -1.885 174.473 176.300 0.097 0.000 1.081 459 D CA -2.867 51.121 54.000 -0.020 0.000 0.864 459 D CB 1.618 42.433 40.800 0.025 0.000 1.040 459 D HN 0.397 nan 8.370 nan 0.000 0.517 460 P HA -0.109 nan 4.420 nan 0.000 0.222 460 P C 0.570 177.931 177.300 0.102 0.000 1.147 460 P CA 0.607 63.805 63.100 0.163 0.000 0.790 460 P CB 0.497 32.233 31.700 0.060 0.000 0.780 461 N N -0.300 118.430 118.700 0.051 0.000 2.494 461 N HA -0.005 4.734 4.740 -0.001 0.000 0.182 461 N C 0.342 175.882 175.510 0.049 0.000 1.076 461 N CA 0.429 53.504 53.050 0.042 0.000 0.908 461 N CB -0.151 38.350 38.487 0.024 0.000 0.967 461 N HN 0.105 nan 8.380 nan 0.000 0.449 462 V N 3.431 123.384 119.914 0.065 0.000 2.334 462 V HA 0.229 4.349 4.120 -0.001 0.000 0.267 462 V C -2.121 174.007 176.094 0.057 0.000 1.040 462 V CA -1.768 60.566 62.300 0.057 0.000 0.866 462 V CB 1.017 32.873 31.823 0.055 0.000 1.019 462 V HN -0.087 nan 8.190 nan 0.000 0.468 463 P HA 0.145 nan 4.420 nan 0.000 0.260 463 P C 1.102 178.413 177.300 0.018 0.000 1.172 463 P CA 1.506 64.622 63.100 0.027 0.000 0.760 463 P CB 0.472 32.183 31.700 0.018 0.000 0.773 464 G N 2.558 111.362 108.800 0.006 0.000 2.234 464 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.260 464 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.260 464 G C 1.509 176.401 174.900 -0.013 0.000 0.987 464 G CA 0.618 45.711 45.100 -0.011 0.000 0.625 464 G HN 0.577 nan 8.290 nan 0.000 0.532 465 S N 0.064 115.778 115.700 0.022 0.000 2.356 465 S HA -0.106 4.363 4.470 -0.001 0.000 0.223 465 S C 2.277 176.869 174.600 -0.014 0.000 1.032 465 S CA 1.877 60.107 58.200 0.049 0.000 1.005 465 S CB -0.279 63.001 63.200 0.133 0.000 0.867 465 S HN 0.650 nan 8.310 nan 0.000 0.449 466 R N 0.797 121.221 120.500 -0.127 0.000 2.096 466 R HA -0.130 4.210 4.340 -0.001 0.000 0.240 466 R C 2.378 178.504 176.300 -0.289 0.000 1.139 466 R CA 2.004 57.799 56.100 -0.507 0.000 0.952 466 R CB -0.379 29.498 30.300 -0.706 0.000 0.854 466 R HN 0.608 nan 8.270 nan 0.000 0.436 467 E N 0.470 120.568 120.200 -0.170 0.000 2.077 467 E HA -0.221 4.128 4.350 -0.001 0.000 0.193 467 E C 1.993 178.534 176.600 -0.099 0.000 0.989 467 E CA 1.140 57.468 56.400 -0.121 0.000 0.800 467 E CB -0.444 29.206 29.700 -0.082 0.000 0.746 467 E HN 0.426 nan 8.360 nan 0.000 0.452 468 R N 0.512 120.963 120.500 -0.082 0.000 2.120 468 R HA -0.026 4.313 4.340 -0.001 0.000 0.234 468 R C 2.409 178.647 176.300 -0.103 0.000 1.123 468 R CA 1.718 57.773 56.100 -0.075 0.000 0.975 468 R CB -0.388 29.879 30.300 -0.053 0.000 0.866 468 R HN 0.202 nan 8.270 nan 0.000 0.446 469 T N 0.546 115.036 114.554 -0.107 0.000 2.821 469 T HA -0.068 4.281 4.350 -0.001 0.000 0.267 469 T C 2.006 176.636 174.700 -0.117 0.000 1.046 469 T CA 1.069 63.095 62.100 -0.123 0.000 1.139 469 T CB -0.104 68.738 68.868 -0.043 0.000 0.871 469 T HN -0.015 nan 8.240 nan 0.000 0.454 470 V N 1.384 121.232 119.914 -0.110 0.000 2.295 470 V HA -0.157 3.962 4.120 -0.001 0.000 0.246 470 V C 2.694 178.748 176.094 -0.066 0.000 1.049 470 V CA 1.312 63.564 62.300 -0.080 0.000 1.024 470 V CB -0.777 30.987 31.823 -0.099 0.000 0.648 470 V HN 0.304 nan 8.190 nan 0.000 0.447 471 V N 0.095 119.963 119.914 -0.075 0.000 2.282 471 V HA -0.366 3.754 4.120 -0.001 0.000 0.249 471 V C 2.433 178.486 176.094 -0.068 0.000 1.057 471 V CA 2.595 64.859 62.300 -0.061 0.000 1.032 471 V CB -0.742 31.045 31.823 -0.059 0.000 0.645 471 V HN 0.597 nan 8.190 nan 0.000 0.447 472 K N 0.332 120.660 120.400 -0.121 0.000 2.009 472 K HA -0.232 4.088 4.320 -0.001 0.000 0.210 472 K C 2.219 178.757 176.600 -0.103 0.000 1.049 472 K CA 1.828 58.004 56.287 -0.185 0.000 0.929 472 K CB -0.493 31.760 32.500 -0.412 0.000 0.714 472 K HN 0.405 nan 8.250 nan 0.000 0.440 473 A N 1.314 124.113 122.820 -0.034 0.000 1.917 473 A HA -0.213 4.106 4.320 -0.001 0.000 0.219 473 A C 2.104 179.761 177.584 0.121 0.000 1.182 473 A CA 1.883 54.025 52.037 0.176 0.000 0.633 473 A CB -0.557 18.555 19.000 0.186 0.000 0.819 473 A HN 0.403 nan 8.150 nan 0.000 0.448 474 R N -1.158 119.368 120.500 0.044 0.000 2.148 474 R HA 0.018 4.357 4.340 -0.001 0.000 0.223 474 R C 2.415 178.773 176.300 0.098 0.000 1.088 474 R CA 0.952 57.083 56.100 0.051 0.000 0.985 474 R CB -0.204 30.092 30.300 -0.007 0.000 0.880 474 R HN 0.493 nan 8.270 nan 0.000 0.451 475 R N 0.414 120.946 120.500 0.052 0.000 2.075 475 R HA -0.058 4.282 4.340 -0.001 0.000 0.232 475 R C 2.149 178.488 176.300 0.066 0.000 1.126 475 R CA 1.073 57.198 56.100 0.041 0.000 0.963 475 R CB -0.194 30.110 30.300 0.006 0.000 0.858 475 R HN 0.128 nan 8.270 nan 0.000 0.435 476 I N 0.171 120.807 120.570 0.109 0.000 2.226 476 I HA -0.302 3.867 4.170 -0.001 0.000 0.245 476 I C 2.294 178.481 176.117 0.117 0.000 1.100 476 I CA 1.396 62.785 61.300 0.148 0.000 1.374 476 I CB -1.155 36.996 38.000 0.251 0.000 1.057 476 I HN 0.173 nan 8.210 nan 0.000 0.413 477 Y N 2.751 123.014 120.300 -0.062 0.000 2.097 477 Y HA -0.253 4.297 4.550 -0.001 0.000 0.282 477 Y C 2.475 178.197 175.900 -0.296 0.000 1.152 477 Y CA 1.920 59.828 58.100 -0.320 0.000 1.136 477 Y CB -0.483 37.772 38.460 -0.342 0.000 0.975 477 Y HN 0.191 nan 8.280 nan 0.000 0.498 478 N N 0.484 119.057 118.700 -0.212 0.000 2.188 478 N HA -0.157 4.582 4.740 -0.001 0.000 0.184 478 N C 1.972 177.388 175.510 -0.158 0.000 1.018 478 N CA 1.347 54.249 53.050 -0.247 0.000 0.858 478 N CB -0.537 37.920 38.487 -0.048 0.000 0.989 478 N HN 0.542 nan 8.380 nan 0.000 0.426 479 A N 1.427 124.208 122.820 -0.064 0.000 1.930 479 A HA -0.037 4.282 4.320 -0.001 0.000 0.217 479 A C 2.286 179.882 177.584 0.019 0.000 1.175 479 A CA 0.781 52.808 52.037 -0.017 0.000 0.627 479 A CB -0.518 18.494 19.000 0.020 0.000 0.815 479 A HN 0.179 nan 8.150 nan 0.000 0.443 480 I N -0.722 119.889 120.570 0.068 0.000 2.252 480 I HA -0.244 3.925 4.170 -0.001 0.000 0.245 480 I C 2.431 178.684 176.117 0.227 0.000 1.102 480 I CA 1.450 62.891 61.300 0.235 0.000 1.385 480 I CB -0.330 37.910 38.000 0.400 0.000 1.064 480 I HN 0.260 nan 8.210 nan 0.000 0.414 481 K N 0.921 121.331 120.400 0.018 0.000 2.063 481 K HA -0.217 4.102 4.320 -0.001 0.000 0.208 481 K C 2.017 178.619 176.600 0.003 0.000 1.048 481 K CA 1.694 57.977 56.287 -0.006 0.000 0.928 481 K CB -0.114 32.215 32.500 -0.286 0.000 0.713 481 K HN 0.352 nan 8.250 nan 0.000 0.442 482 E N -0.018 120.153 120.200 -0.048 0.000 2.106 482 E HA -0.166 4.183 4.350 -0.001 0.000 0.192 482 E C 2.077 178.621 176.600 -0.094 0.000 0.984 482 E CA 0.737 57.104 56.400 -0.056 0.000 0.806 482 E CB 0.036 29.701 29.700 -0.059 0.000 0.750 482 E HN 0.184 nan 8.360 nan 0.000 0.458 483 R N 0.143 120.562 120.500 -0.136 0.000 2.092 483 R HA -0.061 4.278 4.340 -0.001 0.000 0.231 483 R C 0.216 176.113 176.300 -0.672 0.000 1.119 483 R CA 0.975 56.844 56.100 -0.385 0.000 0.970 483 R CB 0.111 30.154 30.300 -0.428 0.000 0.864 483 R HN 0.054 nan 8.270 nan 0.000 0.440 484 F N 0.738 120.702 119.950 0.022 0.000 2.532 484 F HA 0.216 4.742 4.527 -0.001 0.000 0.313 484 F C 1.226 177.041 175.800 0.024 0.000 1.301 484 F CA -0.582 57.431 58.000 0.022 0.000 1.154 484 F CB 1.209 40.225 39.000 0.027 0.000 1.335 484 F HN 0.020 nan 8.300 nan 0.000 0.542 485 S N -1.432 114.307 115.700 0.066 0.000 2.402 485 S HA -0.175 4.295 4.470 -0.001 0.000 0.229 485 S C 2.026 176.667 174.600 0.069 0.000 1.021 485 S CA 1.297 59.531 58.200 0.056 0.000 0.974 485 S CB -0.487 62.719 63.200 0.010 0.000 0.800 485 S HN 0.448 nan 8.310 nan 0.000 0.484 486 S N 2.071 117.815 115.700 0.073 0.000 2.395 486 S HA 0.132 4.601 4.470 -0.001 0.000 0.225 486 S C 1.706 176.352 174.600 0.078 0.000 1.027 486 S CA 0.430 58.668 58.200 0.064 0.000 0.965 486 S CB -0.638 62.592 63.200 0.051 0.000 0.812 486 S HN 0.285 nan 8.310 nan 0.000 0.482 487 L N 2.725 124.015 121.223 0.112 0.000 2.046 487 L HA -0.038 4.301 4.340 -0.001 0.000 0.208 487 L C 2.283 179.208 176.870 0.092 0.000 1.077 487 L CA 1.759 56.655 54.840 0.094 0.000 0.747 487 L CB -1.289 40.833 42.059 0.105 0.000 0.896 487 L HN 0.295 nan 8.230 nan 0.000 0.432 488 D N -0.765 119.709 120.400 0.123 0.000 2.117 488 D HA -0.248 4.392 4.640 -0.001 0.000 0.198 488 D C 2.158 178.518 176.300 0.099 0.000 0.982 488 D CA 1.166 55.244 54.000 0.129 0.000 0.828 488 D CB 0.126 41.008 40.800 0.137 0.000 0.967 488 D HN 0.427 nan 8.370 nan 0.000 0.464 489 E N -0.225 120.021 120.200 0.077 0.000 2.209 489 E HA -0.205 4.144 4.350 -0.001 0.000 0.196 489 E C 1.617 178.251 176.600 0.056 0.000 0.993 489 E CA 1.065 57.502 56.400 0.061 0.000 0.819 489 E CB -0.049 29.679 29.700 0.047 0.000 0.745 489 E HN 0.395 nan 8.360 nan 0.000 0.477 490 Q N -0.256 119.577 119.800 0.054 0.000 2.360 490 Q HA 0.115 4.454 4.340 -0.001 0.000 0.202 490 Q C -0.218 175.812 176.000 0.051 0.000 0.915 490 Q CA 0.118 55.946 55.803 0.042 0.000 0.943 490 Q CB 0.425 29.181 28.738 0.029 0.000 1.064 490 Q HN 0.273 nan 8.270 nan 0.000 0.511 491 N N -0.095 118.649 118.700 0.073 0.000 2.741 491 N HA -0.203 4.537 4.740 -0.001 0.000 0.250 491 N C 0.026 175.583 175.510 0.079 0.000 1.115 491 N CA 0.661 53.767 53.050 0.093 0.000 0.724 491 N CB -1.348 37.197 38.487 0.096 0.000 1.090 491 N HN 0.354 nan 8.380 nan 0.000 0.558 492 L N -0.208 121.048 121.223 0.054 0.000 2.612 492 L HA 0.192 4.532 4.340 -0.001 0.000 0.230 492 L C 0.451 177.313 176.870 -0.013 0.000 1.140 492 L CA 0.475 55.328 54.840 0.021 0.000 0.896 492 L CB 0.096 42.157 42.059 0.004 0.000 1.065 492 L HN 0.092 nan 8.230 nan 0.000 0.447 493 L N 0.519 121.736 121.223 -0.011 0.000 2.349 493 L HA 0.426 4.765 4.340 -0.001 0.000 0.278 493 L C -0.617 176.144 176.870 -0.182 0.000 0.996 493 L CA -0.448 54.279 54.840 -0.189 0.000 0.825 493 L CB 1.716 43.657 42.059 -0.197 0.000 1.243 493 L HN -0.005 nan 8.230 nan 0.000 0.412 494 Q N 3.794 123.444 119.800 -0.250 0.000 2.341 494 Q HA 0.526 4.866 4.340 -0.001 0.000 0.268 494 Q C -1.171 174.733 176.000 -0.161 0.000 1.013 494 Q CA -0.277 55.495 55.803 -0.052 0.000 0.798 494 Q CB 2.617 31.409 28.738 0.089 0.000 1.253 494 Q HN 0.362 nan 8.270 nan 0.000 0.457 495 F N 1.123 121.158 119.950 0.142 0.000 2.470 495 F HA 0.562 5.088 4.527 -0.001 0.000 0.329 495 F C 0.712 176.558 175.800 0.076 0.000 1.072 495 F CA -0.792 57.296 58.000 0.147 0.000 0.989 495 F CB 1.641 40.824 39.000 0.304 0.000 1.193 495 F HN 0.135 nan 8.300 nan 0.000 0.481 496 R N 2.865 123.516 120.500 0.251 0.000 2.538 496 R HA 0.557 4.896 4.340 -0.001 0.000 0.292 496 R C -2.163 174.235 176.300 0.164 0.000 1.008 496 R CA -0.735 55.444 56.100 0.132 0.000 0.896 496 R CB 1.483 31.793 30.300 0.016 0.000 1.187 496 R HN 0.613 nan 8.270 nan 0.000 0.440 497 L N 2.520 123.809 121.223 0.112 0.000 2.322 497 L HA 0.570 4.909 4.340 -0.001 0.000 0.279 497 L C 0.042 176.991 176.870 0.132 0.000 1.036 497 L CA -0.084 54.828 54.840 0.120 0.000 0.807 497 L CB 1.822 43.907 42.059 0.043 0.000 1.226 497 L HN 0.834 nan 8.230 nan 0.000 0.433 498 S N 0.946 116.765 115.700 0.199 0.000 2.625 498 S HA 0.929 5.398 4.470 -0.001 0.000 0.271 498 S C -1.162 173.539 174.600 0.169 0.000 1.161 498 S CA -0.783 57.567 58.200 0.249 0.000 0.820 498 S CB 1.891 65.334 63.200 0.404 0.000 1.137 498 S HN 0.273 nan 8.310 nan 0.000 0.470 499 V N 0.675 120.674 119.914 0.142 0.000 3.114 499 V HA 0.782 4.901 4.120 -0.001 0.000 0.308 499 V C -1.457 174.753 176.094 0.193 0.000 1.168 499 V CA -0.407 61.927 62.300 0.057 0.000 1.015 499 V CB 2.139 34.001 31.823 0.064 0.000 1.050 499 V HN 1.043 nan 8.190 nan 0.000 0.433 500 Q N 1.873 121.793 119.800 0.200 0.000 2.378 500 Q HA 0.671 5.010 4.340 -0.001 0.000 0.262 500 Q C -0.792 175.128 176.000 -0.135 0.000 0.978 500 Q CA -0.423 55.474 55.803 0.158 0.000 0.918 500 Q CB 2.014 30.888 28.738 0.225 0.000 1.415 500 Q HN 1.177 nan 8.270 nan 0.000 0.409 501 A N 2.603 125.187 122.820 -0.393 0.000 2.561 501 A HA -0.058 4.261 4.320 -0.001 0.000 0.234 501 A C 1.099 178.502 177.584 -0.302 0.000 1.055 501 A CA 0.767 52.401 52.037 -0.672 0.000 0.756 501 A CB 0.270 19.002 19.000 -0.446 0.000 0.986 501 A HN 0.934 nan 8.150 nan 0.000 0.505 502 Q N 1.135 120.768 119.800 -0.278 0.000 2.234 502 Q HA -0.153 4.186 4.340 -0.001 0.000 0.206 502 Q C -0.518 175.432 176.000 -0.083 0.000 0.980 502 Q CA 1.270 56.996 55.803 -0.128 0.000 0.869 502 Q CB -0.436 28.245 28.738 -0.095 0.000 0.912 502 Q HN 0.694 nan 8.270 nan 0.000 0.436 503 D N 1.644 121.989 120.400 -0.091 0.000 2.455 503 D HA 0.093 4.732 4.640 -0.001 0.000 0.241 503 D C 0.143 176.424 176.300 -0.032 0.000 1.138 503 D CA -0.074 53.891 54.000 -0.058 0.000 0.877 503 D CB 0.563 41.332 40.800 -0.051 0.000 1.187 503 D HN 0.122 nan 8.370 nan 0.000 0.451 504 I N 1.376 121.934 120.570 -0.020 0.000 2.683 504 I HA 0.141 4.310 4.170 -0.001 0.000 0.286 504 I C 1.824 177.946 176.117 0.008 0.000 1.175 504 I CA 0.506 61.807 61.300 0.002 0.000 1.429 504 I CB -0.180 37.821 38.000 0.002 0.000 1.371 504 I HN 0.740 nan 8.210 nan 0.000 0.569 505 G N 4.380 113.194 108.800 0.024 0.000 2.194 505 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.236 505 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.236 505 G C 0.471 175.384 174.900 0.022 0.000 0.987 505 G CA 0.120 45.234 45.100 0.023 0.000 0.635 505 G HN 0.594 nan 8.290 nan 0.000 0.520 506 S N 3.119 118.829 115.700 0.018 0.000 2.568 506 S HA 0.460 4.929 4.470 -0.001 0.000 0.282 506 S C -1.589 173.040 174.600 0.048 0.000 1.338 506 S CA -0.190 58.020 58.200 0.017 0.000 1.045 506 S CB 1.155 64.346 63.200 -0.016 0.000 0.873 506 S HN 0.447 nan 8.310 nan 0.000 0.516 507 P HA 0.202 nan 4.420 nan 0.000 0.271 507 P C -0.660 176.707 177.300 0.112 0.000 1.218 507 P CA -0.171 62.969 63.100 0.066 0.000 0.780 507 P CB 0.291 32.022 31.700 0.052 0.000 0.901 508 I N 2.536 123.181 120.570 0.125 0.000 2.352 508 I HA 0.111 4.280 4.170 -0.001 0.000 0.290 508 I C 0.778 176.988 176.117 0.155 0.000 1.036 508 I CA -0.060 61.358 61.300 0.197 0.000 1.336 508 I CB 0.262 38.382 38.000 0.200 0.000 1.407 508 I HN 0.226 nan 8.210 nan 0.000 0.497 509 E N 6.455 126.767 120.200 0.187 0.000 2.092 509 E HA 0.283 4.632 4.350 -0.001 0.000 0.271 509 E C -0.919 175.749 176.600 0.114 0.000 0.919 509 E CA -0.573 55.903 56.400 0.126 0.000 0.760 509 E CB 1.070 30.845 29.700 0.124 0.000 1.106 509 E HN 0.484 nan 8.360 nan 0.000 0.408 510 E N 1.696 121.939 120.200 0.071 0.000 2.360 510 E HA 0.204 4.553 4.350 -0.001 0.000 0.269 510 E C -0.398 176.218 176.600 0.027 0.000 1.022 510 E CA -0.347 56.084 56.400 0.051 0.000 0.887 510 E CB 1.236 30.942 29.700 0.010 0.000 0.990 510 E HN 0.298 nan 8.360 nan 0.000 0.426 511 V N -0.158 119.768 119.914 0.020 0.000 2.735 511 V HA 0.778 4.897 4.120 -0.001 0.000 0.310 511 V C -0.276 175.793 176.094 -0.041 0.000 1.061 511 V CA -0.906 61.386 62.300 -0.012 0.000 0.913 511 V CB 1.604 33.416 31.823 -0.018 0.000 1.005 511 V HN 0.742 nan 8.190 nan 0.000 0.428 512 A N 3.629 126.414 122.820 -0.058 0.000 2.407 512 A HA 0.516 4.836 4.320 -0.001 0.000 0.248 512 A C 1.524 179.003 177.584 -0.174 0.000 1.082 512 A CA 0.321 52.304 52.037 -0.089 0.000 0.785 512 A CB 0.570 19.532 19.000 -0.062 0.000 1.020 512 A HN 2.096 nan 8.150 nan 0.000 0.489 513 S N 0.927 116.451 115.700 -0.294 0.000 2.442 513 S HA 0.246 4.715 4.470 -0.001 0.000 0.236 513 S C 0.791 175.137 174.600 -0.424 0.000 1.007 513 S CA 1.058 58.872 58.200 -0.642 0.000 0.965 513 S CB -0.493 62.107 63.200 -1.000 0.000 0.773 513 S HN 1.910 nan 8.310 nan 0.000 0.504 514 A N 0.000 122.696 122.820 -0.206 0.000 2.254 514 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 514 A CA 0.000 51.977 52.037 -0.100 0.000 0.836 514 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 514 A HN 0.000 nan 8.150 nan 0.000 0.486