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 3p9p_1_B DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGVHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT CPYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PCGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.565 174.600 -0.059 0.000 1.055 28 S CA 0.000 58.174 58.200 -0.043 0.000 1.107 28 S CB 0.000 63.173 63.200 -0.045 0.000 0.593 29 L N 2.339 123.519 121.223 -0.071 0.000 2.416 29 L HA 0.423 4.814 4.340 0.085 0.000 0.216 29 L C 1.581 178.373 176.870 -0.130 0.000 1.098 29 L CA 0.616 55.408 54.840 -0.079 0.000 0.840 29 L CB -0.598 41.425 42.059 -0.060 0.000 0.981 29 L HN 0.786 nan 8.230 nan 0.000 0.462 30 A N 1.410 124.101 122.820 -0.215 0.000 2.406 30 A HA 0.367 4.737 4.320 0.085 0.000 0.243 30 A C -2.046 175.387 177.584 -0.251 0.000 1.082 30 A CA -0.895 50.893 52.037 -0.414 0.000 0.786 30 A CB -0.570 17.904 19.000 -0.876 0.000 1.029 30 A HN -0.017 nan 8.150 nan 0.000 0.495 31 P HA 0.113 nan 4.420 nan 0.000 0.271 31 P C 0.330 177.606 177.300 -0.039 0.000 1.216 31 P CA -0.143 62.918 63.100 -0.066 0.000 0.776 31 P CB 0.946 32.647 31.700 0.002 0.000 0.881 32 E N 2.519 122.707 120.200 -0.020 0.000 2.136 32 E HA -0.265 4.136 4.350 0.085 0.000 0.208 32 E C 1.143 177.759 176.600 0.028 0.000 1.035 32 E CA 2.298 58.698 56.400 0.001 0.000 0.838 32 E CB -0.598 29.101 29.700 -0.001 0.000 0.748 32 E HN 0.615 nan 8.360 nan 0.000 0.459 33 D N -1.703 118.720 120.400 0.038 0.000 2.363 33 D HA 0.045 4.736 4.640 0.085 0.000 0.226 33 D C 1.211 177.559 176.300 0.080 0.000 1.020 33 D CA 0.951 54.980 54.000 0.048 0.000 0.892 33 D CB -0.476 40.346 40.800 0.037 0.000 0.900 33 D HN 0.290 nan 8.370 nan 0.000 0.531 34 G N 0.462 109.350 108.800 0.146 0.000 2.168 34 G HA2 -0.357 3.654 3.960 0.085 0.000 0.257 34 G HA3 -0.357 3.654 3.960 0.085 0.000 0.257 34 G C 0.980 175.985 174.900 0.176 0.000 0.997 34 G CA 0.877 46.124 45.100 0.245 0.000 0.708 34 G HN 0.692 nan 8.290 nan 0.000 0.520 35 S N 0.355 116.160 115.700 0.176 0.000 2.607 35 S HA -0.002 4.519 4.470 0.085 0.000 0.224 35 S C 1.884 176.545 174.600 0.101 0.000 0.969 35 S CA 1.045 59.299 58.200 0.089 0.000 0.927 35 S CB -0.466 62.775 63.200 0.068 0.000 0.772 35 S HN 0.913 nan 8.310 nan 0.000 0.533 36 H N 1.085 120.162 119.070 0.012 0.000 2.502 36 H HA 0.252 4.859 4.556 0.085 0.000 0.283 36 H C 0.841 176.181 175.328 0.020 0.000 1.015 36 H CA 0.363 56.419 56.048 0.014 0.000 1.298 36 H CB -0.318 29.451 29.762 0.012 0.000 1.411 36 H HN 0.366 nan 8.280 nan 0.000 0.556 37 R N 2.689 122.860 120.500 -0.548 0.000 2.255 37 R HA 0.333 4.724 4.340 0.085 0.000 0.326 37 R C -2.589 173.617 176.300 -0.157 0.000 0.986 37 R CA -2.092 53.770 56.100 -0.397 0.000 0.847 37 R CB 0.862 30.844 30.300 -0.530 0.000 1.111 37 R HN 0.085 nan 8.270 nan 0.000 0.452 38 P HA 0.099 nan 4.420 nan 0.000 0.269 38 P C -0.949 176.342 177.300 -0.015 0.000 1.209 38 P CA -0.299 62.790 63.100 -0.018 0.000 0.776 38 P CB 0.919 32.633 31.700 0.023 0.000 0.876 39 A N 2.562 125.381 122.820 -0.003 0.000 2.462 39 A HA 0.411 4.782 4.320 0.085 0.000 0.243 39 A C 0.904 178.499 177.584 0.019 0.000 1.076 39 A CA 0.028 52.067 52.037 0.004 0.000 0.773 39 A CB -0.322 18.683 19.000 0.008 0.000 1.010 39 A HN 0.567 nan 8.150 nan 0.000 0.493 40 A N 2.975 125.806 122.820 0.018 0.000 3.135 40 A HA 0.497 4.868 4.320 0.085 0.000 0.253 40 A C 0.299 177.901 177.584 0.031 0.000 1.638 40 A CA 0.091 52.144 52.037 0.027 0.000 1.295 40 A CB -0.889 18.125 19.000 0.022 0.000 1.106 40 A HN 0.880 nan 8.150 nan 0.000 0.648 41 E N -0.180 120.041 120.200 0.034 0.000 2.412 41 E HA 0.535 4.936 4.350 0.085 0.000 0.279 41 E C -3.257 173.367 176.600 0.039 0.000 0.984 41 E CA -2.472 53.949 56.400 0.035 0.000 0.788 41 E CB 1.393 31.109 29.700 0.026 0.000 1.277 41 E HN 0.101 nan 8.360 nan 0.000 0.455 42 P HA 0.065 nan 4.420 nan 0.000 0.271 42 P C -0.578 176.732 177.300 0.018 0.000 1.216 42 P CA 0.113 63.231 63.100 0.030 0.000 0.771 42 P CB 0.835 32.543 31.700 0.013 0.000 0.864 43 T N 0.079 114.640 114.554 0.011 0.000 2.900 43 T HA 0.595 4.996 4.350 0.085 0.000 0.303 43 T C -2.981 171.693 174.700 -0.043 0.000 1.142 43 T CA -2.472 59.628 62.100 0.001 0.000 1.007 43 T CB 1.536 70.410 68.868 0.010 0.000 1.156 43 T HN 0.135 nan 8.240 nan 0.000 0.490 44 P HA 0.379 nan 4.420 nan 0.000 0.274 44 P C -2.764 174.398 177.300 -0.230 0.000 1.246 44 P CA -1.656 61.289 63.100 -0.258 0.000 0.795 44 P CB -1.006 30.607 31.700 -0.144 0.000 1.006 45 P HA 0.058 nan 4.420 nan 0.000 0.264 45 P C 1.049 178.308 177.300 -0.069 0.000 1.193 45 P CA 1.453 64.461 63.100 -0.153 0.000 0.763 45 P CB -0.276 31.331 31.700 -0.155 0.000 0.810 46 G N 2.850 111.637 108.800 -0.021 0.000 2.199 46 G HA2 -0.339 3.672 3.960 0.085 0.000 0.254 46 G HA3 -0.339 3.672 3.960 0.085 0.000 0.254 46 G C 1.106 176.008 174.900 0.002 0.000 0.982 46 G CA 0.385 45.484 45.100 -0.000 0.000 0.632 46 G HN 0.673 nan 8.290 nan 0.000 0.529 47 A N -1.160 121.657 122.820 -0.005 0.000 2.016 47 A HA 0.457 4.828 4.320 0.085 0.000 0.217 47 A C 1.300 178.890 177.584 0.010 0.000 1.162 47 A CA 1.837 53.876 52.037 0.003 0.000 0.662 47 A CB 0.049 19.049 19.000 -0.001 0.000 0.812 47 A HN 0.478 nan 8.150 nan 0.000 0.450 48 Q N -0.837 118.972 119.800 0.015 0.000 2.456 48 Q HA 0.426 4.817 4.340 0.085 0.000 0.283 48 Q C -2.954 173.063 176.000 0.028 0.000 1.084 48 Q CA -2.052 53.763 55.803 0.021 0.000 0.801 48 Q CB 1.193 29.946 28.738 0.025 0.000 1.434 48 Q HN 0.065 nan 8.270 nan 0.000 0.419 49 P HA 0.024 nan 4.420 nan 0.000 0.267 49 P C -0.223 177.110 177.300 0.055 0.000 1.200 49 P CA 0.077 63.194 63.100 0.027 0.000 0.772 49 P CB 0.234 31.946 31.700 0.021 0.000 0.855 50 T N -0.722 113.865 114.554 0.056 0.000 2.828 50 T HA 0.622 5.022 4.350 0.085 0.000 0.290 50 T C -0.031 174.756 174.700 0.145 0.000 1.019 50 T CA -0.507 61.677 62.100 0.141 0.000 1.031 50 T CB 0.734 69.621 68.868 0.032 0.000 1.001 50 T HN 0.580 nan 8.240 nan 0.000 0.531 51 A N 1.622 124.624 122.820 0.305 0.000 2.594 51 A HA 0.776 5.146 4.320 0.085 0.000 0.291 51 A C -3.056 174.782 177.584 0.423 0.000 1.105 51 A CA -2.043 50.145 52.037 0.252 0.000 0.694 51 A CB 0.602 19.706 19.000 0.173 0.000 1.291 51 A HN 0.653 nan 8.150 nan 0.000 0.410 52 P HA 0.111 nan 4.420 nan 0.000 0.265 52 P C 1.189 178.641 177.300 0.255 0.000 1.187 52 P CA 0.969 64.277 63.100 0.347 0.000 0.766 52 P CB 0.596 32.422 31.700 0.210 0.000 0.820 53 G N 2.045 110.963 108.800 0.197 0.000 2.432 53 G HA2 -0.255 3.755 3.960 0.085 0.000 0.219 53 G HA3 -0.255 3.755 3.960 0.085 0.000 0.219 53 G C 1.480 176.402 174.900 0.037 0.000 1.135 53 G CA 0.968 46.097 45.100 0.048 0.000 0.767 53 G HN 0.582 nan 8.290 nan 0.000 0.550 54 S N -0.021 115.705 115.700 0.043 0.000 2.481 54 S HA 0.148 4.669 4.470 0.085 0.000 0.231 54 S C 2.172 176.792 174.600 0.034 0.000 0.996 54 S CA 0.591 58.800 58.200 0.015 0.000 0.942 54 S CB -0.150 63.053 63.200 0.004 0.000 0.768 54 S HN 0.311 nan 8.310 nan 0.000 0.520 55 L N -0.140 121.121 121.223 0.063 0.000 2.253 55 L HA 0.265 4.656 4.340 0.085 0.000 0.205 55 L C 2.674 179.579 176.870 0.059 0.000 1.078 55 L CA 0.787 55.663 54.840 0.060 0.000 0.805 55 L CB -0.327 41.775 42.059 0.072 0.000 0.963 55 L HN 0.233 nan 8.230 nan 0.000 0.459 56 K N 1.367 121.813 120.400 0.077 0.000 2.116 56 K HA 0.046 4.417 4.320 0.085 0.000 0.203 56 K C 0.724 177.356 176.600 0.053 0.000 1.052 56 K CA 1.199 57.530 56.287 0.074 0.000 0.952 56 K CB 0.126 32.688 32.500 0.103 0.000 0.729 56 K HN 0.150 nan 8.250 nan 0.000 0.446 57 A N 0.748 123.591 122.820 0.039 0.000 3.317 57 A HA 0.368 4.739 4.320 0.085 0.000 0.307 57 A C -2.260 175.330 177.584 0.009 0.000 1.003 57 A CA -1.028 51.027 52.037 0.030 0.000 0.882 57 A CB 0.619 19.641 19.000 0.036 0.000 1.136 57 A HN 0.112 nan 8.150 nan 0.000 0.488 58 P HA -0.057 nan 4.420 nan 0.000 0.223 58 P C 0.056 177.349 177.300 -0.011 0.000 1.151 58 P CA 1.147 64.246 63.100 -0.001 0.000 0.787 58 P CB 0.325 32.029 31.700 0.007 0.000 0.788 59 D N -1.190 119.208 120.400 -0.005 0.000 2.368 59 D HA 0.052 4.743 4.640 0.085 0.000 0.218 59 D C 0.066 176.354 176.300 -0.021 0.000 1.112 59 D CA 0.359 54.352 54.000 -0.012 0.000 0.834 59 D CB -0.062 40.737 40.800 -0.002 0.000 0.953 59 D HN 0.066 nan 8.370 nan 0.000 0.505 60 T N 2.402 116.940 114.554 -0.027 0.000 2.729 60 T HA 0.320 4.721 4.350 0.085 0.000 0.296 60 T C 0.461 175.114 174.700 -0.079 0.000 0.928 60 T CA -0.399 61.670 62.100 -0.052 0.000 1.045 60 T CB 1.164 69.999 68.868 -0.055 0.000 0.902 60 T HN -0.124 nan 8.240 nan 0.000 0.500 61 R N 3.155 123.601 120.500 -0.090 0.000 2.795 61 R HA 0.626 5.017 4.340 0.085 0.000 0.275 61 R C -0.611 175.623 176.300 -0.111 0.000 0.981 61 R CA -1.002 55.038 56.100 -0.100 0.000 0.917 61 R CB 1.926 32.177 30.300 -0.081 0.000 1.202 61 R HN 0.815 nan 8.270 nan 0.000 0.469 62 N N -1.775 116.862 118.700 -0.105 0.000 2.825 62 N HA 0.038 4.829 4.740 0.085 0.000 0.253 62 N C 0.259 175.718 175.510 -0.085 0.000 1.426 62 N CA -0.839 52.161 53.050 -0.083 0.000 0.851 62 N CB 0.950 39.416 38.487 -0.036 0.000 1.470 62 N HN 0.600 nan 8.380 nan 0.000 0.517 63 E N -0.120 120.045 120.200 -0.059 0.000 2.085 63 E HA -0.275 4.126 4.350 0.085 0.000 0.194 63 E C 1.103 177.631 176.600 -0.121 0.000 0.994 63 E CA 1.469 57.831 56.400 -0.063 0.000 0.801 63 E CB 0.073 29.762 29.700 -0.019 0.000 0.743 63 E HN 0.513 nan 8.360 nan 0.000 0.453 64 K N 0.672 120.965 120.400 -0.178 0.000 2.025 64 K HA -0.083 4.288 4.320 0.085 0.000 0.207 64 K C 2.116 178.547 176.600 -0.281 0.000 1.049 64 K CA 1.238 57.325 56.287 -0.333 0.000 0.933 64 K CB -0.402 31.732 32.500 -0.611 0.000 0.714 64 K HN 0.184 nan 8.250 nan 0.000 0.438 65 L N 0.934 122.000 121.223 -0.260 0.000 2.083 65 L HA -0.206 4.185 4.340 0.085 0.000 0.209 65 L C 1.877 178.630 176.870 -0.196 0.000 1.083 65 L CA 1.210 55.875 54.840 -0.292 0.000 0.752 65 L CB -0.596 41.279 42.059 -0.306 0.000 0.899 65 L HN 0.269 nan 8.230 nan 0.000 0.433 66 N N -0.299 118.312 118.700 -0.148 0.000 2.188 66 N HA -0.149 4.642 4.740 0.085 0.000 0.184 66 N C 2.072 177.521 175.510 -0.103 0.000 1.018 66 N CA 1.647 54.633 53.050 -0.107 0.000 0.858 66 N CB -0.400 38.038 38.487 -0.083 0.000 0.989 66 N HN 0.371 nan 8.380 nan 0.000 0.426 67 S N 0.426 116.055 115.700 -0.120 0.000 2.447 67 S HA 0.014 4.535 4.470 0.085 0.000 0.233 67 S C 1.787 176.321 174.600 -0.109 0.000 1.006 67 S CA 0.455 58.591 58.200 -0.106 0.000 0.957 67 S CB -0.479 62.650 63.200 -0.117 0.000 0.773 67 S HN 0.247 nan 8.310 nan 0.000 0.507 68 L N 0.772 121.915 121.223 -0.133 0.000 2.599 68 L HA 0.203 4.594 4.340 0.085 0.000 0.230 68 L C 2.583 179.402 176.870 -0.084 0.000 1.141 68 L CA 0.442 55.212 54.840 -0.116 0.000 0.877 68 L CB -0.367 41.605 42.059 -0.145 0.000 1.009 68 L HN 0.255 nan 8.230 nan 0.000 0.447 69 E N 1.168 121.322 120.200 -0.076 0.000 2.160 69 E HA -0.255 4.146 4.350 0.085 0.000 0.195 69 E C 1.712 178.288 176.600 -0.041 0.000 0.991 69 E CA 1.525 57.894 56.400 -0.053 0.000 0.810 69 E CB -0.071 29.601 29.700 -0.047 0.000 0.742 69 E HN 0.568 nan 8.360 nan 0.000 0.466 70 D N -0.429 119.945 120.400 -0.044 0.000 2.265 70 D HA -0.148 4.543 4.640 0.085 0.000 0.208 70 D C 1.567 177.846 176.300 -0.034 0.000 0.977 70 D CA 1.623 55.602 54.000 -0.036 0.000 0.871 70 D CB -0.285 40.492 40.800 -0.037 0.000 0.925 70 D HN 0.306 nan 8.370 nan 0.000 0.485 71 V N -3.714 116.177 119.914 -0.037 0.000 3.528 71 V HA 0.340 4.511 4.120 0.085 0.000 0.294 71 V C 0.804 176.885 176.094 -0.023 0.000 1.404 71 V CA -0.722 61.560 62.300 -0.030 0.000 1.065 71 V CB -0.444 31.360 31.823 -0.032 0.000 0.904 71 V HN -0.161 nan 8.190 nan 0.000 0.435 72 R N 2.004 122.491 120.500 -0.023 0.000 2.491 72 R HA 0.461 4.852 4.340 0.085 0.000 0.283 72 R C -0.208 176.087 176.300 -0.009 0.000 1.072 72 R CA 0.029 56.124 56.100 -0.009 0.000 1.048 72 R CB 0.855 31.151 30.300 -0.008 0.000 0.983 72 R HN 0.359 nan 8.270 nan 0.000 0.450 73 K N 1.073 121.472 120.400 -0.002 0.000 2.292 73 K HA 0.353 4.724 4.320 0.085 0.000 0.257 73 K C -0.086 176.522 176.600 0.014 0.000 0.940 73 K CA -0.475 55.799 56.287 -0.022 0.000 0.811 73 K CB 1.859 34.331 32.500 -0.047 0.000 1.120 73 K HN 0.726 nan 8.250 nan 0.000 0.428 74 G N 0.334 109.156 108.800 0.037 0.000 2.531 74 G HA2 0.274 4.285 3.960 0.085 0.000 0.253 74 G HA3 0.274 4.285 3.960 0.085 0.000 0.253 74 G C 0.313 175.305 174.900 0.152 0.000 1.439 74 G CA 0.262 45.439 45.100 0.128 0.000 1.056 74 G HN 0.717 nan 8.290 nan 0.000 0.555 75 S N -2.581 113.295 115.700 0.294 0.000 2.842 75 S HA 0.091 4.612 4.470 0.085 0.000 0.240 75 S C 0.164 174.940 174.600 0.294 0.000 0.987 75 S CA -0.119 58.252 58.200 0.285 0.000 1.166 75 S CB -0.044 63.240 63.200 0.140 0.000 0.942 75 S HN 0.525 nan 8.310 nan 0.000 0.403 76 E N 3.301 123.596 120.200 0.160 0.000 2.415 76 E HA 0.307 4.708 4.350 0.085 0.000 0.263 76 E C -0.231 176.294 176.600 -0.124 0.000 0.995 76 E CA 0.190 56.610 56.400 0.033 0.000 0.915 76 E CB -0.021 29.689 29.700 0.018 0.000 0.951 76 E HN 0.386 nan 8.360 nan 0.000 0.449 77 N N 0.639 119.273 118.700 -0.110 0.000 2.828 77 N HA -0.204 4.587 4.740 0.085 0.000 0.248 77 N C -1.156 174.197 175.510 -0.261 0.000 1.044 77 N CA 1.133 54.065 53.050 -0.196 0.000 0.851 77 N CB -1.240 37.093 38.487 -0.256 0.000 1.136 77 N HN 0.400 nan 8.380 nan 0.000 0.572 78 Y N 0.524 120.830 120.300 0.010 0.000 2.457 78 Y HA 0.644 5.245 4.550 0.085 0.000 0.333 78 Y C 0.856 176.760 175.900 0.006 0.000 1.119 78 Y CA -0.576 57.529 58.100 0.008 0.000 1.143 78 Y CB 1.093 39.558 38.460 0.009 0.000 1.230 78 Y HN 0.107 nan 8.280 nan 0.000 0.469 79 A N 2.363 125.298 122.820 0.191 0.000 2.371 79 A HA 0.417 4.788 4.320 0.085 0.000 0.257 79 A C -0.759 176.875 177.584 0.084 0.000 1.089 79 A CA -0.514 51.585 52.037 0.102 0.000 0.794 79 A CB 0.102 19.148 19.000 0.078 0.000 1.029 79 A HN 0.710 nan 8.150 nan 0.000 0.488 80 L N 2.853 124.107 121.223 0.050 0.000 2.410 80 L HA 0.495 4.885 4.340 0.085 0.000 0.273 80 L C 0.658 177.540 176.870 0.020 0.000 1.144 80 L CA 1.157 56.014 54.840 0.028 0.000 0.863 80 L CB 0.364 42.432 42.059 0.014 0.000 1.140 80 L HN 0.902 nan 8.230 nan 0.000 0.463 81 T N 0.448 115.009 114.554 0.012 0.000 2.887 81 T HA 0.664 5.065 4.350 0.085 0.000 0.292 81 T C 0.211 174.918 174.700 0.013 0.000 1.087 81 T CA -0.180 61.931 62.100 0.017 0.000 1.009 81 T CB 1.075 69.953 68.868 0.018 0.000 1.203 81 T HN 0.800 nan 8.240 nan 0.000 0.518 82 T N 0.436 115.014 114.554 0.039 0.000 2.667 82 T HA 0.208 4.609 4.350 0.085 0.000 0.305 82 T C 1.066 175.787 174.700 0.034 0.000 1.022 82 T CA -0.475 61.657 62.100 0.053 0.000 0.995 82 T CB -0.075 68.872 68.868 0.131 0.000 1.026 82 T HN 0.574 nan 8.240 nan 0.000 0.527 83 N N 0.487 119.209 118.700 0.037 0.000 2.512 83 N HA -0.059 4.731 4.740 0.085 0.000 0.183 83 N C 1.543 177.071 175.510 0.030 0.000 1.073 83 N CA 0.524 53.587 53.050 0.020 0.000 0.911 83 N CB -0.146 38.361 38.487 0.033 0.000 0.964 83 N HN 0.563 nan 8.380 nan 0.000 0.447 84 Q N -0.513 119.317 119.800 0.050 0.000 2.365 84 Q HA 0.193 4.583 4.340 0.085 0.000 0.203 84 Q C 0.855 176.875 176.000 0.033 0.000 0.929 84 Q CA 0.214 56.041 55.803 0.039 0.000 0.948 84 Q CB 0.427 29.190 28.738 0.042 0.000 1.043 84 Q HN 0.398 nan 8.270 nan 0.000 0.505 85 G N 0.293 109.112 108.800 0.032 0.000 2.157 85 G HA2 -0.238 3.772 3.960 0.085 0.000 0.239 85 G HA3 -0.238 3.772 3.960 0.085 0.000 0.239 85 G C 0.134 175.059 174.900 0.042 0.000 0.982 85 G CA 0.088 45.203 45.100 0.024 0.000 0.650 85 G HN 0.233 nan 8.290 nan 0.000 0.527 86 V N 2.007 121.962 119.914 0.070 0.000 2.432 86 V HA 0.355 4.526 4.120 0.085 0.000 0.271 86 V C 1.291 177.430 176.094 0.075 0.000 1.046 86 V CA -0.509 61.846 62.300 0.092 0.000 0.945 86 V CB 1.085 33.009 31.823 0.168 0.000 0.992 86 V HN 0.385 nan 8.190 nan 0.000 0.471 87 R N 4.495 125.030 120.500 0.059 0.000 2.489 87 R HA 0.320 4.710 4.340 0.085 0.000 0.287 87 R C -0.463 175.857 176.300 0.033 0.000 1.053 87 R CA -0.027 56.099 56.100 0.043 0.000 1.036 87 R CB 0.441 30.764 30.300 0.039 0.000 0.966 87 R HN 0.584 nan 8.270 nan 0.000 0.432 88 I N 2.418 122.996 120.570 0.013 0.000 2.342 88 I HA 0.090 4.311 4.170 0.085 0.000 0.291 88 I C 1.092 177.202 176.117 -0.011 0.000 1.010 88 I CA 0.044 61.336 61.300 -0.012 0.000 1.308 88 I CB 1.808 39.791 38.000 -0.030 0.000 1.400 88 I HN 0.772 nan 8.210 nan 0.000 0.488 89 A N 4.267 127.076 122.820 -0.018 0.000 1.903 89 A HA -0.024 4.347 4.320 0.085 0.000 0.213 89 A C 0.741 178.310 177.584 -0.024 0.000 1.185 89 A CA 1.027 53.055 52.037 -0.016 0.000 0.628 89 A CB 0.021 19.014 19.000 -0.012 0.000 0.830 89 A HN 0.697 nan 8.150 nan 0.000 0.446 90 D N -0.602 119.775 120.400 -0.039 0.000 2.421 90 D HA 0.310 5.001 4.640 0.085 0.000 0.254 90 D C -1.376 174.893 176.300 -0.053 0.000 1.238 90 D CA -0.396 53.580 54.000 -0.041 0.000 0.919 90 D CB 1.140 41.915 40.800 -0.041 0.000 1.152 90 D HN 0.049 nan 8.370 nan 0.000 0.552 91 D N 2.157 122.529 120.400 -0.046 0.000 2.460 91 D HA 0.061 4.751 4.640 0.085 0.000 0.229 91 D C 0.549 176.817 176.300 -0.053 0.000 1.170 91 D CA 0.256 54.224 54.000 -0.053 0.000 0.827 91 D CB 0.478 41.252 40.800 -0.043 0.000 0.973 91 D HN 0.238 nan 8.370 nan 0.000 0.496 92 Q N -0.687 119.083 119.800 -0.050 0.000 2.245 92 Q HA 0.262 4.653 4.340 0.085 0.000 0.236 92 Q C -0.197 175.772 176.000 -0.051 0.000 0.842 92 Q CA 0.141 55.915 55.803 -0.048 0.000 0.945 92 Q CB 0.834 29.549 28.738 -0.039 0.000 1.122 92 Q HN 0.187 nan 8.270 nan 0.000 0.506 93 N N 0.233 118.900 118.700 -0.054 0.000 2.235 93 N HA 0.305 5.096 4.740 0.085 0.000 0.293 93 N C -0.955 174.518 175.510 -0.061 0.000 1.083 93 N CA -0.220 52.799 53.050 -0.052 0.000 0.801 93 N CB 2.153 40.614 38.487 -0.043 0.000 1.559 93 N HN -0.169 nan 8.380 nan 0.000 0.472 94 S N 0.826 116.493 115.700 -0.056 0.000 2.593 94 S HA 0.219 4.740 4.470 0.085 0.000 0.269 94 S C 0.257 174.827 174.600 -0.050 0.000 1.334 94 S CA -0.542 57.623 58.200 -0.057 0.000 1.015 94 S CB 0.655 63.828 63.200 -0.045 0.000 0.912 94 S HN 0.394 nan 8.310 nan 0.000 0.541 95 L N 3.745 124.936 121.223 -0.054 0.000 2.361 95 L HA 0.359 4.750 4.340 0.085 0.000 0.278 95 L C 0.175 177.033 176.870 -0.022 0.000 1.113 95 L CA 0.387 55.204 54.840 -0.038 0.000 0.849 95 L CB -0.158 41.877 42.059 -0.040 0.000 1.155 95 L HN 0.692 nan 8.230 nan 0.000 0.452 96 R N 4.310 124.800 120.500 -0.016 0.000 2.867 96 R HA 0.874 5.265 4.340 0.085 0.000 0.268 96 R C -1.096 175.200 176.300 -0.005 0.000 1.014 96 R CA -0.880 55.214 56.100 -0.010 0.000 0.946 96 R CB 1.173 31.466 30.300 -0.012 0.000 1.208 96 R HN 0.577 nan 8.270 nan 0.000 0.477 97 A N 1.290 124.108 122.820 -0.002 0.000 2.506 97 A HA 0.590 4.961 4.320 0.085 0.000 0.320 97 A C 0.580 178.163 177.584 -0.002 0.000 1.424 97 A CA 0.231 52.268 52.037 -0.000 0.000 1.044 97 A CB -0.739 18.262 19.000 0.003 0.000 1.140 97 A HN 1.205 nan 8.150 nan 0.000 0.538 98 G N 1.261 110.060 108.800 -0.003 0.000 2.712 98 G HA2 0.017 4.028 3.960 0.085 0.000 0.686 98 G HA3 0.017 4.028 3.960 0.085 0.000 0.686 98 G C 0.684 175.580 174.900 -0.007 0.000 1.321 98 G CA 0.129 45.226 45.100 -0.004 0.000 0.813 98 G HN 1.858 nan 8.290 nan 0.000 0.599 99 S N -0.406 115.290 115.700 -0.008 0.000 2.522 99 S HA 0.054 4.575 4.470 0.085 0.000 0.227 99 S C 1.487 176.080 174.600 -0.011 0.000 0.986 99 S CA 1.243 59.436 58.200 -0.011 0.000 0.929 99 S CB 0.127 63.321 63.200 -0.011 0.000 0.769 99 S HN 0.743 nan 8.310 nan 0.000 0.529 100 R N 0.981 121.476 120.500 -0.009 0.000 2.652 100 R HA 0.352 4.743 4.340 0.085 0.000 0.372 100 R C 0.803 177.099 176.300 -0.007 0.000 1.104 100 R CA -0.022 56.073 56.100 -0.009 0.000 1.072 100 R CB 0.808 31.103 30.300 -0.007 0.000 1.367 100 R HN 0.432 nan 8.270 nan 0.000 0.577 101 G N 1.603 110.399 108.800 -0.007 0.000 2.557 101 G HA2 0.409 4.420 3.960 0.085 0.000 0.302 101 G HA3 0.409 4.420 3.960 0.085 0.000 0.302 101 G C -2.413 172.484 174.900 -0.005 0.000 1.311 101 G CA -1.134 43.963 45.100 -0.005 0.000 1.030 101 G HN -0.100 nan 8.290 nan 0.000 0.509 102 P HA 0.238 nan 4.420 nan 0.000 0.274 102 P C -0.183 177.115 177.300 -0.003 0.000 1.231 102 P CA -0.105 62.993 63.100 -0.002 0.000 0.790 102 P CB 0.856 32.556 31.700 0.001 0.000 0.951 103 T N 2.264 116.815 114.554 -0.004 0.000 2.907 103 T HA 0.284 4.685 4.350 0.085 0.000 0.298 103 T C 0.417 175.118 174.700 0.002 0.000 1.017 103 T CA -0.120 61.977 62.100 -0.005 0.000 1.118 103 T CB 0.002 68.865 68.868 -0.009 0.000 0.948 103 T HN 0.180 nan 8.240 nan 0.000 0.531 104 L N 3.453 124.678 121.223 0.004 0.000 2.325 104 L HA 0.349 4.740 4.340 0.085 0.000 0.279 104 L C 1.297 178.181 176.870 0.023 0.000 1.054 104 L CA -0.771 54.077 54.840 0.014 0.000 0.804 104 L CB 1.102 43.171 42.059 0.017 0.000 1.200 104 L HN 0.518 nan 8.230 nan 0.000 0.436 105 L N 2.152 123.394 121.223 0.031 0.000 2.275 105 L HA -0.161 4.230 4.340 0.085 0.000 0.215 105 L C 2.228 179.137 176.870 0.064 0.000 1.119 105 L CA 1.518 56.383 54.840 0.042 0.000 0.790 105 L CB -0.515 41.567 42.059 0.039 0.000 0.919 105 L HN 0.774 nan 8.230 nan 0.000 0.443 106 E N -1.741 118.501 120.200 0.070 0.000 2.511 106 E HA -0.161 4.240 4.350 0.085 0.000 0.196 106 E C 0.236 176.931 176.600 0.159 0.000 1.066 106 E CA 0.168 56.638 56.400 0.116 0.000 0.871 106 E CB -0.472 29.290 29.700 0.104 0.000 0.863 106 E HN 0.342 nan 8.360 nan 0.000 0.520 107 D N 1.337 121.779 120.400 0.070 0.000 2.489 107 D HA -0.060 4.631 4.640 0.085 0.000 0.237 107 D C 0.409 176.701 176.300 -0.012 0.000 1.212 107 D CA -0.406 53.580 54.000 -0.024 0.000 1.058 107 D CB -0.229 40.536 40.800 -0.060 0.000 1.098 107 D HN 0.324 nan 8.370 nan 0.000 0.509 108 F N 1.633 121.592 119.950 0.014 0.000 2.502 108 F HA 0.079 4.657 4.527 0.084 0.000 0.298 108 F C 1.579 177.391 175.800 0.020 0.000 1.111 108 F CA 0.108 58.120 58.000 0.019 0.000 1.445 108 F CB -0.571 38.440 39.000 0.018 0.000 1.081 108 F HN 0.178 nan 8.300 nan 0.000 0.558 109 I N 0.298 120.474 120.570 -0.657 0.000 2.233 109 I HA -0.180 4.040 4.170 0.085 0.000 0.243 109 I C 2.458 178.477 176.117 -0.163 0.000 1.093 109 I CA 0.935 61.986 61.300 -0.414 0.000 1.380 109 I CB -0.478 37.214 38.000 -0.514 0.000 1.067 109 I HN 0.274 nan 8.210 nan 0.000 0.413 110 L N 1.095 122.228 121.223 -0.150 0.000 2.017 110 L HA -0.187 4.203 4.340 0.085 0.000 0.208 110 L C 2.626 179.487 176.870 -0.015 0.000 1.073 110 L CA 1.869 56.664 54.840 -0.074 0.000 0.745 110 L CB -0.563 41.456 42.059 -0.067 0.000 0.894 110 L HN 0.050 nan 8.230 nan 0.000 0.432 111 R N -0.621 119.888 120.500 0.015 0.000 2.092 111 R HA -0.159 4.232 4.340 0.085 0.000 0.231 111 R C 2.305 178.662 176.300 0.095 0.000 1.119 111 R CA 1.436 57.575 56.100 0.064 0.000 0.970 111 R CB -0.365 29.988 30.300 0.088 0.000 0.864 111 R HN 0.575 nan 8.270 nan 0.000 0.440 112 E N 1.202 121.464 120.200 0.104 0.000 2.077 112 E HA -0.236 4.164 4.350 0.085 0.000 0.193 112 E C 1.917 178.598 176.600 0.135 0.000 0.989 112 E CA 1.229 57.709 56.400 0.133 0.000 0.800 112 E CB 0.119 29.905 29.700 0.143 0.000 0.746 112 E HN 0.149 nan 8.360 nan 0.000 0.452 113 K N 0.278 120.727 120.400 0.081 0.000 2.057 113 K HA -0.115 4.256 4.320 0.085 0.000 0.206 113 K C 2.086 178.765 176.600 0.131 0.000 1.050 113 K CA 1.149 57.482 56.287 0.077 0.000 0.935 113 K CB 0.028 32.531 32.500 0.004 0.000 0.715 113 K HN 0.157 nan 8.250 nan 0.000 0.439 114 I N 1.109 121.738 120.570 0.098 0.000 2.439 114 I HA -0.153 4.068 4.170 0.085 0.000 0.251 114 I C 2.002 178.241 176.117 0.202 0.000 1.139 114 I CA 1.154 62.533 61.300 0.132 0.000 1.438 114 I CB -1.196 36.842 38.000 0.064 0.000 1.085 114 I HN 0.203 nan 8.210 nan 0.000 0.427 115 T N -0.278 114.386 114.554 0.183 0.000 2.746 115 T HA -0.207 4.194 4.350 0.085 0.000 0.267 115 T C 1.951 176.806 174.700 0.258 0.000 1.039 115 T CA 1.321 63.552 62.100 0.219 0.000 1.142 115 T CB -0.370 68.623 68.868 0.209 0.000 0.866 115 T HN 0.341 nan 8.240 nan 0.000 0.444 116 H N -0.045 119.129 119.070 0.173 0.000 2.326 116 H HA -0.049 4.558 4.556 0.086 0.000 0.301 116 H C 2.196 177.596 175.328 0.121 0.000 1.081 116 H CA 1.529 57.664 56.048 0.144 0.000 1.334 116 H CB -0.467 29.357 29.762 0.103 0.000 1.385 116 H HN 0.391 nan 8.280 nan 0.000 0.504 117 F N 2.161 122.183 119.950 0.120 0.000 2.126 117 F HA -0.203 4.377 4.527 0.088 0.000 0.299 117 F C 1.957 177.711 175.800 -0.077 0.000 1.096 117 F CA 1.759 59.776 58.000 0.028 0.000 1.255 117 F CB -0.349 38.658 39.000 0.012 0.000 0.997 117 F HN 0.079 nan 8.300 nan 0.000 0.479 118 D N -1.115 119.217 120.400 -0.113 0.000 2.263 118 D HA -0.151 4.540 4.640 0.085 0.000 0.208 118 D C 1.165 177.062 176.300 -0.672 0.000 0.971 118 D CA 1.244 54.994 54.000 -0.416 0.000 0.867 118 D CB -0.357 40.209 40.800 -0.391 0.000 0.929 118 D HN 0.500 nan 8.370 nan 0.000 0.492 119 H N -0.523 118.430 119.070 -0.196 0.000 2.510 119 H HA 0.230 4.836 4.556 0.084 0.000 0.266 119 H C 0.899 176.073 175.328 -0.256 0.000 1.146 119 H CA -0.103 55.829 56.048 -0.194 0.000 0.993 119 H CB 0.505 30.173 29.762 -0.157 0.000 1.727 119 H HN 0.259 nan 8.280 nan 0.000 0.590 120 E N 0.637 120.682 120.200 -0.258 0.000 2.208 120 E HA -0.026 4.375 4.350 0.085 0.000 0.193 120 E C 0.530 176.987 176.600 -0.238 0.000 0.988 120 E CA 0.485 56.710 56.400 -0.291 0.000 0.828 120 E CB 0.503 30.006 29.700 -0.328 0.000 0.763 120 E HN 0.158 nan 8.360 nan 0.000 0.478 121 R N 1.197 121.611 120.500 -0.145 0.000 2.457 121 R HA 0.388 4.779 4.340 0.085 0.000 0.284 121 R C 0.425 176.766 176.300 0.068 0.000 1.024 121 R CA -0.308 55.776 56.100 -0.027 0.000 1.025 121 R CB 0.891 31.168 30.300 -0.038 0.000 1.063 121 R HN 0.141 nan 8.270 nan 0.000 0.493 122 I N -1.184 119.491 120.570 0.176 0.000 2.957 122 I HA 0.581 4.802 4.170 0.085 0.000 0.310 122 I C -2.256 173.928 176.117 0.111 0.000 1.063 122 I CA -2.938 58.454 61.300 0.153 0.000 1.033 122 I CB 1.798 39.917 38.000 0.199 0.000 1.230 122 I HN 0.242 nan 8.210 nan 0.000 0.447 123 P HA 0.057 nan 4.420 nan 0.000 0.265 123 P C -0.831 176.504 177.300 0.058 0.000 1.187 123 P CA -0.005 63.127 63.100 0.053 0.000 0.766 123 P CB 0.400 32.120 31.700 0.035 0.000 0.820 124 E N 2.623 122.858 120.200 0.059 0.000 2.369 124 E HA 0.203 4.604 4.350 0.085 0.000 0.255 124 E C -0.433 176.196 176.600 0.049 0.000 1.172 124 E CA -0.825 55.615 56.400 0.066 0.000 0.932 124 E CB 0.639 30.384 29.700 0.074 0.000 1.040 124 E HN 0.257 nan 8.360 nan 0.000 0.454 125 R N 0.560 121.095 120.500 0.058 0.000 2.643 125 R HA 0.045 4.435 4.340 0.085 0.000 0.270 125 R C 1.331 177.668 176.300 0.062 0.000 1.061 125 R CA -0.481 55.649 56.100 0.051 0.000 1.107 125 R CB 0.352 30.702 30.300 0.083 0.000 0.999 125 R HN 0.574 nan 8.270 nan 0.000 0.460 126 I N 1.586 122.187 120.570 0.052 0.000 2.226 126 I HA -0.130 4.091 4.170 0.085 0.000 0.245 126 I C 1.188 177.362 176.117 0.094 0.000 1.100 126 I CA 1.512 62.851 61.300 0.065 0.000 1.374 126 I CB -0.985 37.055 38.000 0.067 0.000 1.057 126 I HN 0.379 nan 8.210 nan 0.000 0.413 127 V N -3.333 116.671 119.914 0.151 0.000 3.074 127 V HA 0.513 4.683 4.120 0.085 0.000 0.314 127 V C 0.449 176.710 176.094 0.278 0.000 1.117 127 V CA -0.839 61.578 62.300 0.196 0.000 1.014 127 V CB 1.766 33.791 31.823 0.337 0.000 1.057 127 V HN 0.423 nan 8.190 nan 0.000 0.438 128 H N 0.139 119.277 119.070 0.113 0.000 2.862 128 H HA -0.224 4.380 4.556 0.079 0.000 0.290 128 H C 1.548 176.925 175.328 0.083 0.000 1.211 128 H CA 0.793 56.900 56.048 0.098 0.000 1.140 128 H CB -1.235 28.574 29.762 0.079 0.000 1.341 128 H HN 1.152 nan 8.280 nan 0.000 0.392 129 A N 0.755 123.664 122.820 0.147 0.000 1.972 129 A HA -0.107 4.264 4.320 0.085 0.000 0.219 129 A C 1.695 179.369 177.584 0.151 0.000 1.169 129 A CA 1.339 53.454 52.037 0.130 0.000 0.635 129 A CB -0.074 18.982 19.000 0.093 0.000 0.810 129 A HN 0.266 nan 8.150 nan 0.000 0.446 130 R N 0.168 120.756 120.500 0.147 0.000 2.202 130 R HA 0.515 4.906 4.340 0.085 0.000 0.334 130 R C -0.158 176.269 176.300 0.211 0.000 1.036 130 R CA 0.689 56.895 56.100 0.178 0.000 0.878 130 R CB 0.353 30.741 30.300 0.148 0.000 1.067 130 R HN 0.313 nan 8.270 nan 0.000 0.457 131 G N 0.913 109.864 108.800 0.252 0.000 2.698 131 G HA2 0.531 4.542 3.960 0.085 0.000 0.293 131 G HA3 0.531 4.542 3.960 0.085 0.000 0.293 131 G C -1.588 173.469 174.900 0.261 0.000 1.437 131 G CA -0.566 44.645 45.100 0.185 0.000 0.852 131 G HN 0.516 nan 8.290 nan 0.000 0.499 132 S N -1.113 114.681 115.700 0.158 0.000 2.541 132 S HA 0.907 5.427 4.470 0.085 0.000 0.280 132 S C -0.208 174.387 174.600 -0.008 0.000 1.112 132 S CA -0.141 58.208 58.200 0.247 0.000 0.925 132 S CB 1.826 65.288 63.200 0.437 0.000 1.067 132 S HN 1.600 nan 8.310 nan 0.000 0.479 133 A N 1.300 124.084 122.820 -0.061 0.000 2.527 133 A HA 1.032 5.403 4.320 0.085 0.000 0.293 133 A C -1.028 176.336 177.584 -0.368 0.000 1.117 133 A CA -0.643 51.125 52.037 -0.449 0.000 0.723 133 A CB 1.586 20.171 19.000 -0.692 0.000 1.313 133 A HN 1.382 nan 8.150 nan 0.000 0.411 134 A N 0.345 122.779 122.820 -0.643 0.000 2.610 134 A HA 0.732 5.103 4.320 0.085 0.000 0.291 134 A C -1.169 176.204 177.584 -0.351 0.000 1.086 134 A CA -0.658 51.177 52.037 -0.337 0.000 0.677 134 A CB 0.736 19.638 19.000 -0.164 0.000 1.278 134 A HN 0.881 nan 8.150 nan 0.000 0.414 135 H N -0.399 118.689 119.070 0.030 0.000 2.482 135 H HA 0.677 5.284 4.556 0.086 0.000 0.344 135 H C 0.601 175.924 175.328 -0.008 0.000 1.151 135 H CA 0.851 56.972 56.048 0.122 0.000 1.300 135 H CB 1.814 31.643 29.762 0.113 0.000 1.494 135 H HN 1.134 nan 8.280 nan 0.000 0.542 136 G N 0.687 109.586 108.800 0.166 0.000 2.578 136 G HA2 0.370 4.380 3.960 0.085 0.000 0.302 136 G HA3 0.370 4.380 3.960 0.085 0.000 0.302 136 G C -1.991 173.048 174.900 0.232 0.000 1.243 136 G CA -0.643 44.517 45.100 0.101 0.000 0.843 136 G HN 0.626 nan 8.290 nan 0.000 0.486 137 Y N -1.853 118.482 120.300 0.057 0.000 2.625 137 Y HA 0.842 5.443 4.550 0.085 0.000 0.338 137 Y C -1.748 174.291 175.900 0.231 0.000 1.123 137 Y CA -1.910 56.272 58.100 0.136 0.000 1.046 137 Y CB 1.987 40.500 38.460 0.089 0.000 1.299 137 Y HN 0.792 nan 8.280 nan 0.000 0.464 138 F N 1.865 121.967 119.950 0.254 0.000 2.576 138 F HA 0.690 5.270 4.527 0.088 0.000 0.313 138 F C -1.310 174.701 175.800 0.351 0.000 1.078 138 F CA -0.605 57.547 58.000 0.253 0.000 0.921 138 F CB 2.437 41.717 39.000 0.466 0.000 1.232 138 F HN 0.788 nan 8.300 nan 0.000 0.459 139 Q N 6.460 125.731 119.800 -0.882 0.000 2.315 139 Q HA 0.502 4.893 4.340 0.085 0.000 0.273 139 Q C -2.876 172.535 176.000 -0.982 0.000 1.053 139 Q CA -2.379 53.067 55.803 -0.596 0.000 0.817 139 Q CB 3.048 31.729 28.738 -0.094 0.000 1.326 139 Q HN 0.336 nan 8.270 nan 0.000 0.423 140 P HA 0.051 nan 4.420 nan 0.000 0.274 140 P C -0.590 176.655 177.300 -0.092 0.000 1.246 140 P CA 0.159 63.061 63.100 -0.330 0.000 0.795 140 P CB 0.457 32.115 31.700 -0.069 0.000 1.006 141 Y N 0.044 120.288 120.300 -0.094 0.000 2.517 141 Y HA 0.036 4.638 4.550 0.086 0.000 0.281 141 Y C 1.307 177.181 175.900 -0.043 0.000 1.125 141 Y CA -0.016 58.049 58.100 -0.059 0.000 1.283 141 Y CB 0.419 38.852 38.460 -0.046 0.000 1.042 141 Y HN 0.357 nan 8.280 nan 0.000 0.547 142 K N -1.094 119.373 120.400 0.112 0.000 2.642 142 K HA 0.277 4.648 4.320 0.085 0.000 0.290 142 K C -1.156 175.452 176.600 0.014 0.000 1.006 142 K CA -0.866 55.453 56.287 0.053 0.000 0.869 142 K CB 1.273 33.803 32.500 0.051 0.000 1.499 142 K HN -0.231 nan 8.250 nan 0.000 0.403 143 S N 1.043 116.748 115.700 0.007 0.000 2.549 143 S HA 0.194 4.715 4.470 0.085 0.000 0.283 143 S C 0.485 175.075 174.600 -0.017 0.000 1.320 143 S CA -0.679 57.516 58.200 -0.009 0.000 1.058 143 S CB -0.098 63.100 63.200 -0.003 0.000 0.882 143 S HN 0.543 nan 8.310 nan 0.000 0.498 144 L N 4.727 125.928 121.223 -0.036 0.000 2.741 144 L HA 0.128 4.518 4.340 0.085 0.000 0.237 144 L C 2.117 178.970 176.870 -0.028 0.000 1.178 144 L CA 0.014 54.838 54.840 -0.027 0.000 0.973 144 L CB -0.346 41.698 42.059 -0.026 0.000 1.255 144 L HN 0.850 nan 8.230 nan 0.000 0.498 145 S N -1.593 114.089 115.700 -0.029 0.000 2.440 145 S HA -0.199 4.322 4.470 0.085 0.000 0.238 145 S C 1.249 175.833 174.600 -0.028 0.000 1.010 145 S CA 1.232 59.414 58.200 -0.031 0.000 0.972 145 S CB -0.204 62.983 63.200 -0.022 0.000 0.774 145 S HN 0.387 nan 8.310 nan 0.000 0.501 146 D N 1.758 122.147 120.400 -0.019 0.000 2.269 146 D HA 0.059 4.750 4.640 0.085 0.000 0.208 146 D C 1.719 178.002 176.300 -0.028 0.000 0.963 146 D CA 1.268 55.256 54.000 -0.019 0.000 0.864 146 D CB -0.143 40.651 40.800 -0.010 0.000 0.936 146 D HN 0.826 nan 8.370 nan 0.000 0.505 147 I N -4.828 115.726 120.570 -0.027 0.000 4.471 147 I HA 0.241 4.462 4.170 0.085 0.000 0.326 147 I C 0.456 176.533 176.117 -0.067 0.000 1.300 147 I CA -0.035 61.242 61.300 -0.039 0.000 1.237 147 I CB 1.174 39.172 38.000 -0.004 0.000 1.195 147 I HN -0.243 nan 8.210 nan 0.000 0.427 148 T N 1.528 116.045 114.554 -0.061 0.000 2.982 148 T HA 0.320 4.721 4.350 0.085 0.000 0.321 148 T C -0.131 174.517 174.700 -0.085 0.000 1.229 148 T CA -0.677 61.368 62.100 -0.092 0.000 1.044 148 T CB 1.803 70.608 68.868 -0.104 0.000 1.184 148 T HN 0.418 nan 8.240 nan 0.000 0.477 149 K N 2.404 122.751 120.400 -0.088 0.000 2.458 149 K HA 0.558 4.929 4.320 0.085 0.000 0.194 149 K C 0.739 177.302 176.600 -0.061 0.000 1.024 149 K CA -0.291 55.957 56.287 -0.066 0.000 1.108 149 K CB 0.184 32.650 32.500 -0.057 0.000 0.846 149 K HN 0.506 nan 8.250 nan 0.000 0.518 150 A N 2.134 124.896 122.820 -0.097 0.000 2.548 150 A HA -0.062 4.309 4.320 0.085 0.000 0.247 150 A C 0.563 178.118 177.584 -0.048 0.000 1.067 150 A CA 0.132 52.125 52.037 -0.074 0.000 0.757 150 A CB 0.091 18.985 19.000 -0.177 0.000 0.996 150 A HN 0.479 nan 8.150 nan 0.000 0.504 151 D N 2.064 122.508 120.400 0.072 0.000 2.144 151 D HA -0.212 4.478 4.640 0.085 0.000 0.199 151 D C 1.346 177.725 176.300 0.132 0.000 0.984 151 D CA 2.165 56.219 54.000 0.091 0.000 0.834 151 D CB -0.238 40.637 40.800 0.124 0.000 0.955 151 D HN 0.727 nan 8.370 nan 0.000 0.465 152 F N -0.666 119.309 119.950 0.041 0.000 2.546 152 F HA 0.157 4.736 4.527 0.086 0.000 0.298 152 F C 1.085 176.980 175.800 0.159 0.000 1.120 152 F CA 0.357 58.426 58.000 0.114 0.000 1.456 152 F CB -0.279 38.792 39.000 0.118 0.000 1.088 152 F HN -0.071 nan 8.300 nan 0.000 0.572 153 L N 0.850 121.777 121.223 -0.493 0.000 2.769 153 L HA 0.190 4.580 4.340 0.085 0.000 0.240 153 L C 1.805 178.588 176.870 -0.145 0.000 1.163 153 L CA 0.284 54.890 54.840 -0.390 0.000 0.962 153 L CB -0.168 41.550 42.059 -0.569 0.000 1.258 153 L HN 0.313 nan 8.230 nan 0.000 0.513 154 S N -2.281 113.381 115.700 -0.063 0.000 2.503 154 S HA 0.056 4.577 4.470 0.085 0.000 0.217 154 S C 0.314 174.913 174.600 -0.001 0.000 0.999 154 S CA -0.128 58.056 58.200 -0.027 0.000 0.914 154 S CB 0.062 63.259 63.200 -0.004 0.000 0.782 154 S HN 0.415 nan 8.310 nan 0.000 0.520 155 D N 0.307 120.717 120.400 0.017 0.000 2.886 155 D HA 0.352 5.042 4.640 0.085 0.000 0.216 155 D C -2.721 173.600 176.300 0.035 0.000 1.256 155 D CA -1.688 52.328 54.000 0.027 0.000 0.844 155 D CB 1.779 42.601 40.800 0.036 0.000 1.669 155 D HN -0.200 nan 8.370 nan 0.000 0.513 156 P HA -0.005 nan 4.420 nan 0.000 0.226 156 P C 0.215 177.540 177.300 0.042 0.000 1.153 156 P CA 0.862 63.983 63.100 0.035 0.000 0.777 156 P CB 0.087 31.816 31.700 0.048 0.000 0.794 157 N N -0.795 117.931 118.700 0.044 0.000 2.336 157 N HA 0.010 4.801 4.740 0.085 0.000 0.189 157 N C 0.625 176.174 175.510 0.064 0.000 1.113 157 N CA -0.117 52.962 53.050 0.048 0.000 0.858 157 N CB -0.067 38.442 38.487 0.037 0.000 0.970 157 N HN 0.084 nan 8.380 nan 0.000 0.471 158 K N 1.959 122.409 120.400 0.083 0.000 2.338 158 K HA 0.215 4.586 4.320 0.085 0.000 0.290 158 K C -0.810 175.892 176.600 0.171 0.000 1.069 158 K CA -0.005 56.357 56.287 0.126 0.000 0.941 158 K CB 0.338 32.928 32.500 0.150 0.000 1.023 158 K HN 0.054 nan 8.250 nan 0.000 0.477 159 I N 3.632 124.303 120.570 0.168 0.000 2.336 159 I HA 0.155 4.375 4.170 0.085 0.000 0.292 159 I C -0.164 176.127 176.117 0.289 0.000 0.991 159 I CA -0.554 60.876 61.300 0.216 0.000 1.227 159 I CB 1.991 40.060 38.000 0.115 0.000 1.366 159 I HN 0.512 nan 8.210 nan 0.000 0.466 160 T N 7.277 122.090 114.554 0.432 0.000 2.786 160 T HA 0.355 4.756 4.350 0.085 0.000 0.283 160 T C -2.493 172.465 174.700 0.431 0.000 0.992 160 T CA -1.398 60.975 62.100 0.456 0.000 0.954 160 T CB 1.583 70.832 68.868 0.634 0.000 0.934 160 T HN 0.248 nan 8.240 nan 0.000 0.440 161 P HA 0.251 nan 4.420 nan 0.000 0.269 161 P C -0.656 176.881 177.300 0.395 0.000 1.209 161 P CA -0.412 62.877 63.100 0.314 0.000 0.776 161 P CB 0.497 32.304 31.700 0.179 0.000 0.876 162 V N -0.219 119.872 119.914 0.296 0.000 3.040 162 V HA 0.743 4.914 4.120 0.085 0.000 0.312 162 V C -1.296 174.966 176.094 0.280 0.000 1.115 162 V CA -0.973 61.401 62.300 0.124 0.000 0.998 162 V CB 2.211 33.888 31.823 -0.243 0.000 1.042 162 V HN 0.338 nan 8.190 nan 0.000 0.433 163 F N 2.377 122.324 119.950 -0.005 0.000 2.539 163 F HA 0.852 5.428 4.527 0.081 0.000 0.318 163 F C -0.873 174.832 175.800 -0.159 0.000 1.135 163 F CA -0.743 57.191 58.000 -0.111 0.000 0.915 163 F CB 2.015 40.980 39.000 -0.057 0.000 1.176 163 F HN 0.536 nan 8.300 nan 0.000 0.440 164 V N 6.478 125.936 119.914 -0.760 0.000 2.604 164 V HA 0.585 4.755 4.120 0.085 0.000 0.305 164 V C -0.728 174.687 176.094 -1.132 0.000 1.043 164 V CA -0.869 60.910 62.300 -0.868 0.000 0.888 164 V CB 2.012 33.243 31.823 -0.986 0.000 0.995 164 V HN 0.748 nan 8.190 nan 0.000 0.429 165 R N 3.278 123.112 120.500 -1.109 0.000 2.480 165 R HA 0.632 5.023 4.340 0.085 0.000 0.306 165 R C -1.649 174.043 176.300 -1.014 0.000 0.958 165 R CA -0.416 55.127 56.100 -0.929 0.000 0.861 165 R CB 1.203 31.140 30.300 -0.605 0.000 1.171 165 R HN 0.556 nan 8.270 nan 0.000 0.445 166 F N 1.808 121.338 119.950 -0.700 0.000 2.432 166 F HA 0.549 5.127 4.527 0.085 0.000 0.329 166 F C 0.457 175.909 175.800 -0.580 0.000 1.076 166 F CA -0.252 57.225 58.000 -0.872 0.000 1.018 166 F CB 2.169 40.119 39.000 -1.749 0.000 1.201 166 F HN 0.621 nan 8.300 nan 0.000 0.489 167 S N -1.150 114.486 115.700 -0.106 0.000 2.615 167 S HA 0.622 5.143 4.470 0.085 0.000 0.269 167 S C -0.655 174.087 174.600 0.237 0.000 1.161 167 S CA -0.934 57.341 58.200 0.125 0.000 0.817 167 S CB 1.328 64.647 63.200 0.199 0.000 1.131 167 S HN 0.731 nan 8.310 nan 0.000 0.467 168 T N -1.531 113.153 114.554 0.217 0.000 2.867 168 T HA 0.700 5.101 4.350 0.085 0.000 0.286 168 T C 0.821 175.480 174.700 -0.068 0.000 1.022 168 T CA -0.211 61.974 62.100 0.141 0.000 0.933 168 T CB 0.479 69.434 68.868 0.146 0.000 1.280 168 T HN 0.578 nan 8.240 nan 0.000 0.566 169 V N -0.002 119.834 119.914 -0.131 0.000 2.840 169 V HA 0.100 4.271 4.120 0.085 0.000 0.234 169 V C 2.769 178.779 176.094 -0.141 0.000 1.159 169 V CA 0.436 62.529 62.300 -0.344 0.000 1.194 169 V CB -0.379 31.347 31.823 -0.163 0.000 0.971 169 V HN 0.879 nan 8.190 nan 0.000 0.494 170 Q N 0.956 120.713 119.800 -0.073 0.000 2.089 170 Q HA 0.072 4.463 4.340 0.085 0.000 0.195 170 Q C 1.265 177.239 176.000 -0.044 0.000 0.963 170 Q CA 1.345 57.105 55.803 -0.072 0.000 0.834 170 Q CB -0.191 28.488 28.738 -0.098 0.000 0.906 170 Q HN 0.581 nan 8.270 nan 0.000 0.452 171 G N -0.230 108.558 108.800 -0.019 0.000 2.599 171 G HA2 0.412 4.423 3.960 0.085 0.000 0.264 171 G HA3 0.412 4.423 3.960 0.085 0.000 0.264 171 G C 0.097 175.004 174.900 0.010 0.000 1.200 171 G CA 0.038 45.132 45.100 -0.011 0.000 0.896 171 G HN 0.335 nan 8.290 nan 0.000 0.536 172 G N -1.365 107.438 108.800 0.005 0.000 2.621 172 G HA2 0.476 4.487 3.960 0.085 0.000 0.271 172 G HA3 0.476 4.487 3.960 0.085 0.000 0.271 172 G C 1.291 176.220 174.900 0.049 0.000 1.236 172 G CA 0.427 45.541 45.100 0.023 0.000 0.958 172 G HN 1.061 nan 8.290 nan 0.000 0.512 173 A N -0.849 122.012 122.820 0.067 0.000 2.070 173 A HA 0.155 4.525 4.320 0.085 0.000 0.220 173 A C 2.177 179.801 177.584 0.066 0.000 1.159 173 A CA 1.874 53.970 52.037 0.099 0.000 0.656 173 A CB -0.303 18.774 19.000 0.128 0.000 0.800 173 A HN 1.076 nan 8.150 nan 0.000 0.453 174 G N -0.183 108.637 108.800 0.033 0.000 3.284 174 G HA2 0.328 4.338 3.960 0.085 0.000 0.236 174 G HA3 0.328 4.338 3.960 0.085 0.000 0.236 174 G C 0.680 175.581 174.900 0.003 0.000 1.158 174 G CA 0.633 45.738 45.100 0.007 0.000 0.774 174 G HN 0.624 nan 8.290 nan 0.000 0.545 175 S N -0.186 115.524 115.700 0.016 0.000 2.655 175 S HA 0.743 5.264 4.470 0.085 0.000 0.265 175 S C 0.481 175.094 174.600 0.023 0.000 1.240 175 S CA -0.122 58.084 58.200 0.009 0.000 0.986 175 S CB 1.639 64.846 63.200 0.011 0.000 0.985 175 S HN 0.527 nan 8.310 nan 0.000 0.562 176 A N 0.179 123.007 122.820 0.013 0.000 2.304 176 A HA 0.428 4.798 4.320 0.085 0.000 0.271 176 A C 0.597 178.203 177.584 0.037 0.000 1.091 176 A CA -0.552 51.490 52.037 0.010 0.000 0.812 176 A CB -0.097 18.890 19.000 -0.021 0.000 1.056 176 A HN 0.864 nan 8.150 nan 0.000 0.489 177 D N 0.184 120.596 120.400 0.021 0.000 2.162 177 D HA -0.048 4.642 4.640 0.085 0.000 0.205 177 D C 1.588 177.865 176.300 -0.038 0.000 0.964 177 D CA 2.202 56.228 54.000 0.043 0.000 0.847 177 D CB -0.205 40.584 40.800 -0.018 0.000 0.988 177 D HN 0.669 nan 8.370 nan 0.000 0.480 178 T N -0.105 114.350 114.554 -0.164 0.000 3.332 178 T HA 0.289 4.690 4.350 0.085 0.000 0.246 178 T C 0.809 175.486 174.700 -0.038 0.000 0.943 178 T CA -0.583 61.406 62.100 -0.185 0.000 0.922 178 T CB -0.945 67.730 68.868 -0.321 0.000 1.086 178 T HN -0.080 nan 8.240 nan 0.000 0.590 179 V N -1.145 118.799 119.914 0.050 0.000 3.237 179 V HA 0.416 4.587 4.120 0.085 0.000 0.305 179 V C 0.727 176.956 176.094 0.226 0.000 1.096 179 V CA -1.377 61.004 62.300 0.134 0.000 1.130 179 V CB 0.361 32.253 31.823 0.114 0.000 1.048 179 V HN 0.583 nan 8.190 nan 0.000 0.484 180 R N 1.812 122.505 120.500 0.322 0.000 2.248 180 R HA 0.423 4.814 4.340 0.085 0.000 0.328 180 R C -0.912 175.468 176.300 0.133 0.000 1.067 180 R CA -0.046 56.194 56.100 0.232 0.000 0.924 180 R CB 0.079 30.450 30.300 0.119 0.000 1.013 180 R HN 1.051 nan 8.270 nan 0.000 0.454 181 D N 3.258 123.748 120.400 0.150 0.000 2.692 181 D HA 0.221 4.912 4.640 0.085 0.000 0.290 181 D C -0.645 175.767 176.300 0.185 0.000 1.281 181 D CA -0.609 53.469 54.000 0.129 0.000 0.804 181 D CB 1.277 42.146 40.800 0.115 0.000 1.331 181 D HN 0.219 nan 8.370 nan 0.000 0.432 182 I N 1.323 122.021 120.570 0.214 0.000 2.720 182 I HA 0.253 4.474 4.170 0.085 0.000 0.287 182 I C 0.834 177.093 176.117 0.236 0.000 1.090 182 I CA -0.082 61.356 61.300 0.231 0.000 1.384 182 I CB 0.121 38.295 38.000 0.289 0.000 1.420 182 I HN 0.223 nan 8.210 nan 0.000 0.575 183 R N 2.689 123.350 120.500 0.269 0.000 2.589 183 R HA 0.572 4.962 4.340 0.085 0.000 0.293 183 R C -0.045 176.453 176.300 0.331 0.000 0.963 183 R CA -0.740 55.536 56.100 0.293 0.000 0.905 183 R CB 1.514 32.005 30.300 0.319 0.000 1.144 183 R HN 0.805 nan 8.270 nan 0.000 0.459 184 G N 0.766 109.785 108.800 0.366 0.000 2.476 184 G HA2 0.476 4.487 3.960 0.085 0.000 0.286 184 G HA3 0.476 4.487 3.960 0.085 0.000 0.286 184 G C -1.270 173.731 174.900 0.168 0.000 1.177 184 G CA -0.043 45.243 45.100 0.309 0.000 0.870 184 G HN 0.357 nan 8.290 nan 0.000 0.528 185 F N 1.376 121.242 119.950 -0.139 0.000 3.034 185 F HA 0.617 5.193 4.527 0.082 0.000 0.371 185 F C -0.300 175.226 175.800 -0.457 0.000 1.233 185 F CA -1.786 56.043 58.000 -0.285 0.000 1.134 185 F CB 0.994 39.946 39.000 -0.081 0.000 1.495 185 F HN 0.669 nan 8.300 nan 0.000 0.563 186 A N 3.545 126.113 122.820 -0.420 0.000 2.287 186 A HA 0.773 5.144 4.320 0.085 0.000 0.317 186 A C -0.565 176.581 177.584 -0.731 0.000 1.220 186 A CA -0.418 51.201 52.037 -0.697 0.000 0.835 186 A CB 0.788 18.995 19.000 -1.323 0.000 1.180 186 A HN 0.526 nan 8.150 nan 0.000 0.500 187 T N 2.287 116.588 114.554 -0.421 0.000 2.807 187 T HA 0.433 4.834 4.350 0.085 0.000 0.279 187 T C -0.293 174.256 174.700 -0.252 0.000 0.993 187 T CA -0.482 61.382 62.100 -0.393 0.000 0.970 187 T CB 1.187 69.747 68.868 -0.513 0.000 0.950 187 T HN 0.656 nan 8.240 nan 0.000 0.441 188 K N 3.014 123.328 120.400 -0.144 0.000 2.213 188 K HA 0.509 4.880 4.320 0.085 0.000 0.270 188 K C -1.402 174.882 176.600 -0.526 0.000 1.002 188 K CA -0.611 55.487 56.287 -0.315 0.000 0.868 188 K CB 0.526 32.760 32.500 -0.443 0.000 1.093 188 K HN 0.387 nan 8.250 nan 0.000 0.454 189 F N 4.137 123.791 119.950 -0.493 0.000 2.411 189 F HA 0.271 4.847 4.527 0.082 0.000 0.352 189 F C -0.586 175.008 175.800 -0.342 0.000 1.123 189 F CA -0.587 57.198 58.000 -0.359 0.000 1.044 189 F CB 0.886 39.580 39.000 -0.511 0.000 1.135 189 F HN 0.449 nan 8.300 nan 0.000 0.461 190 Y N 1.889 122.245 120.300 0.095 0.000 2.714 190 Y HA 0.227 4.829 4.550 0.087 0.000 0.333 190 Y C 1.048 177.002 175.900 0.089 0.000 1.220 190 Y CA -0.825 57.311 58.100 0.060 0.000 1.513 190 Y CB -0.117 38.367 38.460 0.040 0.000 1.435 190 Y HN 0.555 nan 8.280 nan 0.000 0.489 191 T N -2.336 112.312 114.554 0.157 0.000 2.816 191 T HA 0.159 4.560 4.350 0.085 0.000 0.282 191 T C 1.000 175.793 174.700 0.154 0.000 0.993 191 T CA -0.655 61.542 62.100 0.161 0.000 0.994 191 T CB 1.041 69.974 68.868 0.108 0.000 1.025 191 T HN 0.647 nan 8.240 nan 0.000 0.529 192 E N -0.114 120.182 120.200 0.161 0.000 2.418 192 E HA -0.024 4.377 4.350 0.085 0.000 0.197 192 E C 1.074 177.741 176.600 0.111 0.000 1.026 192 E CA 0.625 57.101 56.400 0.128 0.000 0.862 192 E CB 0.130 29.902 29.700 0.121 0.000 0.799 192 E HN 0.718 nan 8.360 nan 0.000 0.518 193 E N 0.024 120.292 120.200 0.113 0.000 2.624 193 E HA 0.252 4.653 4.350 0.085 0.000 0.210 193 E C 0.035 176.682 176.600 0.078 0.000 0.997 193 E CA -0.235 56.223 56.400 0.097 0.000 0.999 193 E CB 1.372 31.133 29.700 0.102 0.000 1.040 193 E HN 0.172 nan 8.360 nan 0.000 0.469 194 G N 1.255 110.094 108.800 0.066 0.000 2.428 194 G HA2 -0.104 3.907 3.960 0.085 0.000 0.681 194 G HA3 -0.104 3.907 3.960 0.085 0.000 0.681 194 G C -0.856 174.047 174.900 0.006 0.000 1.340 194 G CA -1.104 44.011 45.100 0.025 0.000 0.915 194 G HN 0.030 nan 8.290 nan 0.000 0.645 195 I N 1.015 121.552 120.570 -0.055 0.000 2.533 195 I HA 0.317 4.537 4.170 0.085 0.000 0.284 195 I C 0.116 176.230 176.117 -0.005 0.000 1.109 195 I CA 0.041 61.281 61.300 -0.101 0.000 1.412 195 I CB 0.740 38.613 38.000 -0.211 0.000 1.396 195 I HN 0.445 nan 8.210 nan 0.000 0.543 196 F N 7.034 126.870 119.950 -0.190 0.000 2.426 196 F HA 0.438 5.015 4.527 0.083 0.000 0.348 196 F C -0.466 175.291 175.800 -0.071 0.000 1.124 196 F CA -1.211 56.676 58.000 -0.188 0.000 1.008 196 F CB 0.760 39.485 39.000 -0.459 0.000 1.139 196 F HN 0.348 nan 8.300 nan 0.000 0.452 197 D N 6.557 126.761 120.400 -0.327 0.000 2.303 197 D HA 0.271 4.962 4.640 0.085 0.000 0.236 197 D C -1.068 174.767 176.300 -0.774 0.000 1.068 197 D CA -0.129 53.615 54.000 -0.427 0.000 0.830 197 D CB 2.182 42.932 40.800 -0.084 0.000 1.109 197 D HN 0.484 nan 8.370 nan 0.000 0.496 198 L N 3.658 124.395 121.223 -0.809 0.000 2.277 198 L HA 0.314 4.705 4.340 0.085 0.000 0.284 198 L C -1.151 175.500 176.870 -0.365 0.000 1.028 198 L CA -0.610 53.824 54.840 -0.677 0.000 0.835 198 L CB 1.234 42.910 42.059 -0.639 0.000 1.215 198 L HN 0.096 nan 8.230 nan 0.000 0.425 199 V N 5.877 125.613 119.914 -0.296 0.000 2.275 199 V HA 0.760 4.931 4.120 0.085 0.000 0.272 199 V C 0.672 176.659 176.094 -0.179 0.000 1.028 199 V CA -0.106 62.026 62.300 -0.281 0.000 0.810 199 V CB 0.507 32.120 31.823 -0.349 0.000 1.043 199 V HN 0.853 nan 8.190 nan 0.000 0.453 200 G N 3.194 111.909 108.800 -0.141 0.000 2.788 200 G HA2 0.682 4.693 3.960 0.085 0.000 0.293 200 G HA3 0.682 4.693 3.960 0.085 0.000 0.293 200 G C -0.968 173.954 174.900 0.038 0.000 1.305 200 G CA -0.585 44.486 45.100 -0.048 0.000 1.005 200 G HN 0.467 nan 8.290 nan 0.000 0.496 201 N N -1.013 117.758 118.700 0.118 0.000 2.966 201 N HA 0.255 5.046 4.740 0.085 0.000 0.314 201 N C 0.385 176.084 175.510 0.316 0.000 1.397 201 N CA -0.755 52.429 53.050 0.223 0.000 0.776 201 N CB 1.293 39.901 38.487 0.202 0.000 1.576 201 N HN 0.534 nan 8.380 nan 0.000 0.592 202 N N -1.250 117.653 118.700 0.338 0.000 2.314 202 N HA 0.005 4.795 4.740 0.085 0.000 0.200 202 N C -0.506 175.258 175.510 0.422 0.000 1.135 202 N CA -0.103 53.203 53.050 0.427 0.000 0.835 202 N CB -0.207 38.504 38.487 0.373 0.000 0.989 202 N HN 0.548 nan 8.380 nan 0.000 0.478 203 T N -3.987 110.631 114.554 0.107 0.000 2.901 203 T HA 0.489 4.890 4.350 0.085 0.000 0.293 203 T C -2.708 171.307 174.700 -1.140 0.000 1.084 203 T CA -1.516 60.207 62.100 -0.628 0.000 1.008 203 T CB 2.779 71.178 68.868 -0.780 0.000 1.170 203 T HN -0.239 nan 8.240 nan 0.000 0.509 204 P HA 0.261 nan 4.420 nan 0.000 0.261 204 P C 0.209 176.974 177.300 -0.892 0.000 1.268 204 P CA -0.020 62.116 63.100 -1.606 0.000 0.833 204 P CB -0.033 30.703 31.700 -1.607 0.000 1.231 205 I N -4.497 115.535 120.570 -0.897 0.000 3.279 205 I HA 0.548 4.769 4.170 0.085 0.000 0.315 205 I C -1.408 174.433 176.117 -0.461 0.000 1.187 205 I CA -1.878 59.049 61.300 -0.623 0.000 0.953 205 I CB 1.474 39.066 38.000 -0.679 0.000 1.279 205 I HN -0.238 nan 8.210 nan 0.000 0.465 206 F N 0.316 119.972 119.950 -0.489 0.000 2.631 206 F HA 0.516 5.098 4.527 0.092 0.000 0.350 206 F C 0.410 175.952 175.800 -0.430 0.000 1.080 206 F CA -0.742 56.996 58.000 -0.436 0.000 1.026 206 F CB 1.886 40.762 39.000 -0.208 0.000 1.347 206 F HN 0.378 nan 8.300 nan 0.000 0.501 207 F N 1.765 120.949 119.950 -1.277 0.000 2.367 207 F HA 0.089 4.665 4.527 0.081 0.000 0.298 207 F C 0.571 176.089 175.800 -0.470 0.000 1.094 207 F CA 0.675 58.118 58.000 -0.927 0.000 1.409 207 F CB -0.027 38.002 39.000 -1.618 0.000 1.064 207 F HN 0.106 nan 8.300 nan 0.000 0.528 208 I N -3.501 117.056 120.570 -0.022 0.000 3.042 208 I HA 0.369 4.590 4.170 0.085 0.000 0.310 208 I C 0.301 176.562 176.117 0.239 0.000 1.117 208 I CA -0.858 60.532 61.300 0.149 0.000 1.003 208 I CB 1.908 40.049 38.000 0.235 0.000 1.228 208 I HN -0.174 nan 8.210 nan 0.000 0.443 209 Q N 0.352 120.293 119.800 0.234 0.000 2.259 209 Q HA 0.136 4.526 4.340 0.085 0.000 0.201 209 Q C -0.275 175.895 176.000 0.285 0.000 0.938 209 Q CA 0.732 56.712 55.803 0.295 0.000 0.872 209 Q CB 0.454 29.440 28.738 0.413 0.000 0.971 209 Q HN 0.644 nan 8.270 nan 0.000 0.494 210 D N -1.159 119.382 120.400 0.234 0.000 2.649 210 D HA 0.308 4.999 4.640 0.085 0.000 0.249 210 D C -0.062 176.361 176.300 0.204 0.000 1.112 210 D CA -0.222 53.887 54.000 0.181 0.000 0.850 210 D CB 1.852 42.735 40.800 0.138 0.000 1.399 210 D HN 0.044 nan 8.370 nan 0.000 0.503 211 A N 3.340 126.250 122.820 0.149 0.000 2.076 211 A HA -0.236 4.135 4.320 0.085 0.000 0.220 211 A C 1.764 179.462 177.584 0.191 0.000 1.160 211 A CA 1.626 53.745 52.037 0.137 0.000 0.653 211 A CB -0.725 18.304 19.000 0.049 0.000 0.801 211 A HN 0.805 nan 8.150 nan 0.000 0.455 212 H N 0.050 119.177 119.070 0.095 0.000 2.456 212 H HA 0.004 4.616 4.556 0.093 0.000 0.296 212 H C 1.465 176.873 175.328 0.134 0.000 1.079 212 H CA 1.763 57.861 56.048 0.085 0.000 1.322 212 H CB 0.070 29.860 29.762 0.046 0.000 1.388 212 H HN 0.388 nan 8.280 nan 0.000 0.538 213 K N -0.468 120.072 120.400 0.233 0.000 2.417 213 K HA -0.036 4.335 4.320 0.085 0.000 0.196 213 K C 1.199 177.949 176.600 0.250 0.000 1.023 213 K CA -0.064 56.359 56.287 0.226 0.000 1.122 213 K CB 0.059 32.745 32.500 0.310 0.000 0.850 213 K HN 0.305 nan 8.250 nan 0.000 0.521 214 F N 2.837 122.843 119.950 0.093 0.000 2.134 214 F HA -0.107 4.454 4.527 0.057 0.000 0.299 214 F C -1.029 174.788 175.800 0.029 0.000 1.097 214 F CA 1.132 59.211 58.000 0.131 0.000 1.264 214 F CB -0.307 38.762 39.000 0.115 0.000 1.001 214 F HN 0.022 nan 8.300 nan 0.000 0.479 215 P HA -0.114 nan 4.420 nan 0.000 0.221 215 P C 0.944 177.929 177.300 -0.524 0.000 1.150 215 P CA 1.541 64.412 63.100 -0.382 0.000 0.800 215 P CB -0.031 31.464 31.700 -0.340 0.000 0.787 216 D N -1.199 119.046 120.400 -0.258 0.000 2.097 216 D HA -0.142 4.549 4.640 0.085 0.000 0.197 216 D C 1.791 177.820 176.300 -0.451 0.000 0.984 216 D CA 0.999 54.882 54.000 -0.195 0.000 0.826 216 D CB -0.800 40.069 40.800 0.115 0.000 0.973 216 D HN 0.152 nan 8.370 nan 0.000 0.460 217 F N 1.919 121.468 119.950 -0.668 0.000 2.095 217 F HA -0.229 4.342 4.527 0.074 0.000 0.298 217 F C 2.242 177.660 175.800 -0.638 0.000 1.104 217 F CA 1.172 58.582 58.000 -0.983 0.000 1.232 217 F CB -0.163 38.479 39.000 -0.598 0.000 0.987 217 F HN -0.253 nan 8.300 nan 0.000 0.475 218 V N 0.114 119.634 119.914 -0.656 0.000 2.358 218 V HA -0.312 3.859 4.120 0.085 0.000 0.246 218 V C 2.264 178.153 176.094 -0.342 0.000 1.047 218 V CA 2.365 64.311 62.300 -0.590 0.000 1.035 218 V CB -0.985 30.501 31.823 -0.561 0.000 0.658 218 V HN 0.462 nan 8.190 nan 0.000 0.452 219 H N -0.215 118.640 119.070 -0.359 0.000 2.387 219 H HA -0.129 4.479 4.556 0.087 0.000 0.299 219 H C 2.306 177.491 175.328 -0.239 0.000 1.090 219 H CA 1.059 56.972 56.048 -0.225 0.000 1.332 219 H CB 0.051 29.729 29.762 -0.139 0.000 1.386 219 H HN 0.484 nan 8.280 nan 0.000 0.516 220 A N 0.401 123.062 122.820 -0.266 0.000 1.969 220 A HA -0.090 4.281 4.320 0.085 0.000 0.218 220 A C 2.462 179.905 177.584 -0.235 0.000 1.169 220 A CA 1.163 53.046 52.037 -0.257 0.000 0.635 220 A CB -0.523 18.211 19.000 -0.443 0.000 0.810 220 A HN 0.301 nan 8.150 nan 0.000 0.445 221 V N -0.353 119.296 119.914 -0.442 0.000 2.878 221 V HA 0.012 4.182 4.120 0.085 0.000 0.250 221 V C 0.953 176.997 176.094 -0.084 0.000 1.075 221 V CA 0.765 62.850 62.300 -0.359 0.000 1.096 221 V CB -0.411 30.989 31.823 -0.706 0.000 0.724 221 V HN 0.337 nan 8.190 nan 0.000 0.467 222 K N 0.945 121.276 120.400 -0.115 0.000 2.156 222 K HA 0.231 4.602 4.320 0.085 0.000 0.242 222 K C -2.289 174.267 176.600 -0.074 0.000 1.033 222 K CA -1.582 54.655 56.287 -0.085 0.000 0.878 222 K CB -0.348 32.095 32.500 -0.094 0.000 1.057 222 K HN 0.154 nan 8.250 nan 0.000 0.505 223 P HA 0.000 nan 4.420 nan 0.000 0.266 223 P C -0.601 176.641 177.300 -0.096 0.000 1.195 223 P CA 0.339 63.307 63.100 -0.220 0.000 0.768 223 P CB 0.374 31.953 31.700 -0.201 0.000 0.838 224 E N 5.008 125.194 120.200 -0.024 0.000 2.392 224 E HA -0.001 4.400 4.350 0.085 0.000 0.264 224 E C -1.273 175.398 176.600 0.119 0.000 1.024 224 E CA -1.289 55.201 56.400 0.151 0.000 0.903 224 E CB 0.147 30.057 29.700 0.350 0.000 0.963 224 E HN 0.424 nan 8.360 nan 0.000 0.432 225 P HA -0.192 nan 4.420 nan 0.000 0.225 225 P C 0.974 178.346 177.300 0.119 0.000 1.156 225 P CA 1.296 64.436 63.100 0.068 0.000 0.787 225 P CB 0.055 31.771 31.700 0.028 0.000 0.802 226 H N -0.612 118.498 119.070 0.068 0.000 2.326 226 H HA -0.091 4.515 4.556 0.084 0.000 0.301 226 H C 1.511 176.946 175.328 0.177 0.000 1.081 226 H CA 1.516 57.595 56.048 0.053 0.000 1.334 226 H CB -1.380 28.342 29.762 -0.066 0.000 1.385 226 H HN 0.317 nan 8.280 nan 0.000 0.504 227 W N -0.049 120.931 121.300 -0.533 0.000 2.870 227 W HA 0.691 5.400 4.660 0.082 0.000 0.358 227 W C 0.524 176.887 176.519 -0.261 0.000 1.043 227 W CA -0.873 56.259 57.345 -0.354 0.000 1.692 227 W CB -0.668 28.544 29.460 -0.413 0.000 1.100 227 W HN 0.441 nan 8.180 nan 0.000 0.557 228 A N 1.267 124.060 122.820 -0.045 0.000 2.739 228 A HA -0.170 4.201 4.320 0.085 0.000 0.296 228 A C -0.361 176.995 177.584 -0.380 0.000 1.488 228 A CA 1.439 53.374 52.037 -0.170 0.000 0.746 228 A CB -2.418 16.511 19.000 -0.118 0.000 1.047 228 A HN 0.450 nan 8.150 nan 0.000 0.477 229 I N 0.400 120.597 120.570 -0.623 0.000 2.689 229 I HA 0.561 4.782 4.170 0.085 0.000 0.299 229 I C -2.375 173.434 176.117 -0.515 0.000 1.059 229 I CA -2.458 58.379 61.300 -0.771 0.000 1.055 229 I CB 2.841 39.874 38.000 -1.610 0.000 1.243 229 I HN 0.199 nan 8.210 nan 0.000 0.425 230 P HA 0.315 nan 4.420 nan 0.000 0.289 230 P C -1.629 175.507 177.300 -0.274 0.000 1.293 230 P CA -0.847 62.035 63.100 -0.363 0.000 0.897 230 P CB 1.668 33.227 31.700 -0.235 0.000 1.166 231 Q N 0.453 120.138 119.800 -0.192 0.000 2.256 231 Q HA 0.503 4.894 4.340 0.085 0.000 0.254 231 Q C 1.026 176.984 176.000 -0.071 0.000 0.916 231 Q CA 0.848 56.574 55.803 -0.128 0.000 0.932 231 Q CB -0.152 28.521 28.738 -0.109 0.000 1.207 231 Q HN 0.819 nan 8.270 nan 0.000 0.426 232 G N 3.139 111.907 108.800 -0.054 0.000 2.179 232 G HA2 -0.285 3.726 3.960 0.085 0.000 0.257 232 G HA3 -0.285 3.726 3.960 0.085 0.000 0.257 232 G C -0.420 174.489 174.900 0.014 0.000 1.010 232 G CA 0.531 45.624 45.100 -0.011 0.000 0.736 232 G HN 0.541 nan 8.290 nan 0.000 0.513 233 Q N -0.959 118.837 119.800 -0.007 0.000 2.315 233 Q HA 0.571 4.961 4.340 0.085 0.000 0.273 233 Q C 0.731 176.740 176.000 0.016 0.000 1.053 233 Q CA -0.150 55.681 55.803 0.046 0.000 0.817 233 Q CB 1.840 30.650 28.738 0.119 0.000 1.326 233 Q HN 0.453 nan 8.270 nan 0.000 0.423 234 S N -0.537 115.086 115.700 -0.129 0.000 2.575 234 S HA 0.217 4.738 4.470 0.085 0.000 0.215 234 S C 0.835 175.419 174.600 -0.027 0.000 0.966 234 S CA -0.043 57.878 58.200 -0.465 0.000 0.911 234 S CB 0.323 62.728 63.200 -1.325 0.000 0.780 234 S HN 0.592 nan 8.310 nan 0.000 0.514 235 A N 2.306 125.293 122.820 0.277 0.000 3.063 235 A HA 0.540 4.910 4.320 0.085 0.000 0.263 235 A C 0.077 177.916 177.584 0.426 0.000 1.736 235 A CA -0.624 51.651 52.037 0.398 0.000 1.408 235 A CB -1.168 18.008 19.000 0.293 0.000 1.108 235 A HN 0.893 nan 8.150 nan 0.000 0.621 236 H N -3.508 115.772 119.070 0.350 0.000 3.037 236 H HA 0.515 5.120 4.556 0.083 0.000 0.355 236 H C -0.300 175.231 175.328 0.339 0.000 1.263 236 H CA -0.761 55.452 56.048 0.275 0.000 1.129 236 H CB 0.398 30.277 29.762 0.196 0.000 1.861 236 H HN 0.069 nan 8.280 nan 0.000 0.546 237 D N 0.323 120.904 120.400 0.301 0.000 2.133 237 D HA -0.197 4.494 4.640 0.085 0.000 0.195 237 D C 2.075 178.442 176.300 0.111 0.000 0.997 237 D CA 3.030 57.138 54.000 0.180 0.000 0.840 237 D CB -0.291 40.590 40.800 0.135 0.000 0.947 237 D HN 0.786 nan 8.370 nan 0.000 0.452 238 T N -1.748 112.866 114.554 0.100 0.000 2.867 238 T HA -0.159 4.242 4.350 0.085 0.000 0.268 238 T C 1.888 176.536 174.700 -0.086 0.000 1.057 238 T CA 0.509 62.636 62.100 0.046 0.000 1.136 238 T CB -0.647 68.297 68.868 0.126 0.000 0.874 238 T HN 0.148 nan 8.240 nan 0.000 0.466 239 F N 0.857 120.505 119.950 -0.504 0.000 2.075 239 F HA 0.087 4.663 4.527 0.080 0.000 0.297 239 F C 1.816 177.340 175.800 -0.461 0.000 1.113 239 F CA 0.652 58.267 58.000 -0.640 0.000 1.218 239 F CB -0.606 37.823 39.000 -0.951 0.000 0.984 239 F HN 0.142 nan 8.300 nan 0.000 0.472 240 W N 0.591 121.789 121.300 -0.169 0.000 2.467 240 W HA -0.078 4.637 4.660 0.091 0.000 0.275 240 W C 2.287 178.710 176.519 -0.158 0.000 1.239 240 W CA 0.989 58.226 57.345 -0.181 0.000 1.266 240 W CB -0.576 28.876 29.460 -0.013 0.000 1.112 240 W HN 0.090 nan 8.180 nan 0.000 0.576 241 D N -0.627 119.806 120.400 0.055 0.000 2.084 241 D HA -0.291 4.400 4.640 0.085 0.000 0.194 241 D C 1.895 178.192 176.300 -0.005 0.000 0.990 241 D CA 1.466 55.485 54.000 0.031 0.000 0.826 241 D CB -0.537 40.293 40.800 0.050 0.000 0.971 241 D HN 0.177 nan 8.370 nan 0.000 0.453 242 Y N 0.429 120.621 120.300 -0.180 0.000 2.145 242 Y HA -0.191 4.412 4.550 0.088 0.000 0.286 242 Y C 2.262 178.027 175.900 -0.225 0.000 1.145 242 Y CA 1.524 59.509 58.100 -0.192 0.000 1.148 242 Y CB -0.434 37.880 38.460 -0.244 0.000 0.981 242 Y HN -0.103 nan 8.280 nan 0.000 0.507 243 V N 0.163 119.955 119.914 -0.204 0.000 2.287 243 V HA -0.360 3.811 4.120 0.085 0.000 0.248 243 V C 2.610 178.645 176.094 -0.097 0.000 1.053 243 V CA 2.296 64.467 62.300 -0.216 0.000 1.027 243 V CB -1.331 30.246 31.823 -0.411 0.000 0.646 243 V HN 0.664 nan 8.190 nan 0.000 0.447 244 S N -0.023 115.665 115.700 -0.020 0.000 2.440 244 S HA -0.103 4.418 4.470 0.085 0.000 0.238 244 S C 1.680 176.246 174.600 -0.057 0.000 1.010 244 S CA 1.535 59.743 58.200 0.012 0.000 0.972 244 S CB -0.530 62.703 63.200 0.055 0.000 0.774 244 S HN 0.572 nan 8.310 nan 0.000 0.501 245 L N -0.071 121.072 121.223 -0.133 0.000 2.607 245 L HA 0.325 4.716 4.340 0.085 0.000 0.228 245 L C 0.553 177.258 176.870 -0.276 0.000 1.123 245 L CA 0.089 54.824 54.840 -0.175 0.000 0.890 245 L CB 0.015 41.969 42.059 -0.174 0.000 1.103 245 L HN 0.240 nan 8.230 nan 0.000 0.468 246 Q N 0.412 120.010 119.800 -0.336 0.000 3.244 246 Q HA 0.226 4.617 4.340 0.085 0.000 0.249 246 Q C -1.958 173.832 176.000 -0.350 0.000 0.951 246 Q CA -1.337 54.229 55.803 -0.395 0.000 0.740 246 Q CB 1.468 29.870 28.738 -0.561 0.000 1.334 246 Q HN 0.007 nan 8.270 nan 0.000 0.448 247 P HA -0.214 nan 4.420 nan 0.000 0.228 247 P C 0.952 177.946 177.300 -0.510 0.000 1.151 247 P CA 1.039 63.900 63.100 -0.398 0.000 0.770 247 P CB 0.266 31.714 31.700 -0.420 0.000 0.786 248 E N 0.829 120.595 120.200 -0.724 0.000 2.209 248 E HA -0.192 4.209 4.350 0.085 0.000 0.196 248 E C 1.530 178.081 176.600 -0.081 0.000 0.993 248 E CA 1.922 58.146 56.400 -0.294 0.000 0.819 248 E CB -1.354 28.251 29.700 -0.159 0.000 0.745 248 E HN 0.292 nan 8.360 nan 0.000 0.477 249 T N -0.462 114.050 114.554 -0.069 0.000 3.035 249 T HA -0.016 4.385 4.350 0.085 0.000 0.268 249 T C 1.978 176.749 174.700 0.118 0.000 1.109 249 T CA 0.577 62.710 62.100 0.055 0.000 1.119 249 T CB -0.358 68.573 68.868 0.105 0.000 0.900 249 T HN 0.156 nan 8.240 nan 0.000 0.503 250 L N 0.022 121.316 121.223 0.118 0.000 2.131 250 L HA -0.088 4.302 4.340 0.085 0.000 0.210 250 L C 2.847 179.888 176.870 0.285 0.000 1.092 250 L CA 1.781 56.762 54.840 0.235 0.000 0.759 250 L CB -0.770 41.439 42.059 0.249 0.000 0.903 250 L HN 0.488 nan 8.230 nan 0.000 0.435 251 H N 0.048 119.169 119.070 0.085 0.000 2.293 251 H HA -0.207 4.400 4.556 0.085 0.000 0.300 251 H C 2.154 177.486 175.328 0.007 0.000 1.082 251 H CA 1.799 57.897 56.048 0.082 0.000 1.308 251 H CB 0.222 29.996 29.762 0.021 0.000 1.375 251 H HN 0.363 nan 8.280 nan 0.000 0.495 252 N N -0.097 118.440 118.700 -0.272 0.000 2.309 252 N HA -0.122 4.668 4.740 0.085 0.000 0.182 252 N C 1.918 177.264 175.510 -0.274 0.000 1.018 252 N CA 0.676 53.342 53.050 -0.641 0.000 0.876 252 N CB 0.291 37.910 38.487 -1.447 0.000 0.972 252 N HN 0.126 nan 8.380 nan 0.000 0.434 253 V N 1.674 121.653 119.914 0.109 0.000 2.343 253 V HA -0.253 3.918 4.120 0.085 0.000 0.247 253 V C 2.499 178.714 176.094 0.201 0.000 1.051 253 V CA 1.225 63.715 62.300 0.318 0.000 1.036 253 V CB -0.363 31.692 31.823 0.387 0.000 0.654 253 V HN 0.393 nan 8.190 nan 0.000 0.451 254 M N -1.481 118.276 119.600 0.263 0.000 2.082 254 M HA -0.226 4.305 4.480 0.085 0.000 0.258 254 M C 2.095 178.361 176.300 -0.058 0.000 1.069 254 M CA 1.982 57.422 55.300 0.234 0.000 1.102 254 M CB -1.293 31.484 32.600 0.294 0.000 1.336 254 M HN 0.466 nan 8.290 nan 0.000 0.404 255 W N 0.559 121.560 121.300 -0.498 0.000 2.335 255 W HA -0.130 4.584 4.660 0.089 0.000 0.311 255 W C 2.849 179.283 176.519 -0.140 0.000 1.213 255 W CA 1.982 59.019 57.345 -0.514 0.000 1.274 255 W CB -1.146 27.958 29.460 -0.594 0.000 1.148 255 W HN 0.312 nan 8.180 nan 0.000 0.498 256 A N -0.580 122.313 122.820 0.122 0.000 1.933 256 A HA -0.196 4.175 4.320 0.085 0.000 0.218 256 A C 1.946 179.575 177.584 0.075 0.000 1.175 256 A CA 1.854 53.970 52.037 0.132 0.000 0.628 256 A CB -0.654 18.465 19.000 0.197 0.000 0.814 256 A HN 0.117 nan 8.150 nan 0.000 0.444 257 M N 0.810 120.406 119.600 -0.006 0.000 2.394 257 M HA -0.007 4.524 4.480 0.085 0.000 0.264 257 M C 1.523 177.857 176.300 0.056 0.000 1.073 257 M CA 0.928 56.165 55.300 -0.104 0.000 1.111 257 M CB -1.531 30.739 32.600 -0.549 0.000 1.401 257 M HN 0.559 nan 8.290 nan 0.000 0.448 258 S N 0.395 116.186 115.700 0.153 0.000 2.626 258 S HA 0.072 4.592 4.470 0.085 0.000 0.257 258 S C 0.711 175.440 174.600 0.215 0.000 1.288 258 S CA -0.412 57.924 58.200 0.227 0.000 0.980 258 S CB 0.883 64.267 63.200 0.306 0.000 0.975 258 S HN 0.188 nan 8.310 nan 0.000 0.577 259 D N 0.105 120.655 120.400 0.249 0.000 2.371 259 D HA 0.048 4.739 4.640 0.085 0.000 0.221 259 D C 1.861 178.310 176.300 0.248 0.000 0.986 259 D CA 0.249 54.417 54.000 0.280 0.000 0.899 259 D CB -0.161 40.871 40.800 0.388 0.000 0.902 259 D HN 0.380 nan 8.370 nan 0.000 0.530 260 R N 0.254 120.893 120.500 0.231 0.000 2.139 260 R HA -0.077 4.314 4.340 0.085 0.000 0.243 260 R C 1.998 178.455 176.300 0.262 0.000 1.145 260 R CA 1.087 57.349 56.100 0.270 0.000 0.976 260 R CB -0.801 29.723 30.300 0.375 0.000 0.866 260 R HN 0.178 nan 8.270 nan 0.000 0.449 261 G N 1.168 110.108 108.800 0.234 0.000 2.848 261 G HA2 0.031 4.042 3.960 0.085 0.000 0.208 261 G HA3 0.031 4.042 3.960 0.085 0.000 0.208 261 G C 0.961 176.001 174.900 0.234 0.000 1.152 261 G CA -0.020 45.210 45.100 0.216 0.000 0.789 261 G HN 0.401 nan 8.290 nan 0.000 0.531 262 I N -2.053 118.666 120.570 0.249 0.000 2.926 262 I HA 0.347 4.568 4.170 0.085 0.000 0.295 262 I C -2.837 173.436 176.117 0.260 0.000 1.463 262 I CA -2.568 58.885 61.300 0.256 0.000 0.892 262 I CB 1.669 39.821 38.000 0.254 0.000 1.874 262 I HN -0.264 nan 8.210 nan 0.000 0.620 263 P HA 0.041 nan 4.420 nan 0.000 0.269 263 P C 0.586 178.036 177.300 0.249 0.000 1.209 263 P CA -0.100 63.114 63.100 0.191 0.000 0.776 263 P CB 1.223 32.970 31.700 0.078 0.000 0.876 264 R N 1.977 122.606 120.500 0.216 0.000 2.092 264 R HA -0.009 4.382 4.340 0.085 0.000 0.231 264 R C 0.448 176.902 176.300 0.256 0.000 1.119 264 R CA 1.502 57.776 56.100 0.290 0.000 0.970 264 R CB -0.434 30.003 30.300 0.228 0.000 0.864 264 R HN 0.540 nan 8.270 nan 0.000 0.440 265 S N -2.633 113.014 115.700 -0.087 0.000 2.552 265 S HA 0.233 4.754 4.470 0.085 0.000 0.272 265 S C -0.374 173.908 174.600 -0.530 0.000 1.150 265 S CA -0.866 57.108 58.200 -0.376 0.000 0.849 265 S CB 0.247 63.355 63.200 -0.154 0.000 1.113 265 S HN 0.131 nan 8.310 nan 0.000 0.458 266 Y N 2.397 122.309 120.300 -0.647 0.000 2.403 266 Y HA 0.039 4.641 4.550 0.087 0.000 0.291 266 Y C 2.326 177.865 175.900 -0.602 0.000 1.143 266 Y CA 1.044 58.635 58.100 -0.849 0.000 1.257 266 Y CB -0.313 37.218 38.460 -1.550 0.000 0.984 266 Y HN 0.565 nan 8.280 nan 0.000 0.550 267 R N -0.499 119.863 120.500 -0.230 0.000 2.235 267 R HA -0.040 4.351 4.340 0.085 0.000 0.213 267 R C 1.027 177.277 176.300 -0.084 0.000 1.059 267 R CA 1.497 57.515 56.100 -0.138 0.000 0.997 267 R CB -0.389 29.830 30.300 -0.135 0.000 0.884 267 R HN 0.341 nan 8.270 nan 0.000 0.462 268 T N -1.951 112.570 114.554 -0.054 0.000 3.308 268 T HA 0.349 4.749 4.350 0.085 0.000 0.270 268 T C 0.179 174.917 174.700 0.063 0.000 0.992 268 T CA -0.665 61.435 62.100 -0.000 0.000 0.931 268 T CB -0.071 68.785 68.868 -0.020 0.000 1.142 268 T HN 0.075 nan 8.240 nan 0.000 0.525 269 M N -1.123 118.556 119.600 0.132 0.000 2.658 269 M HA 0.738 5.269 4.480 0.085 0.000 0.295 269 M C -1.287 175.200 176.300 0.311 0.000 1.248 269 M CA -0.868 54.553 55.300 0.202 0.000 0.843 269 M CB 2.190 34.899 32.600 0.181 0.000 1.749 269 M HN -0.147 nan 8.290 nan 0.000 0.464 270 E N 0.315 120.700 120.200 0.307 0.000 2.314 270 E HA 0.665 5.066 4.350 0.085 0.000 0.262 270 E C -0.366 176.344 176.600 0.184 0.000 1.093 270 E CA -0.638 55.887 56.400 0.208 0.000 0.908 270 E CB 1.793 31.546 29.700 0.089 0.000 1.091 270 E HN 0.855 nan 8.360 nan 0.000 0.425 271 G N 0.792 109.527 108.800 -0.108 0.000 2.524 271 G HA2 0.635 4.645 3.960 0.085 0.000 0.310 271 G HA3 0.635 4.645 3.960 0.085 0.000 0.310 271 G C -1.452 173.018 174.900 -0.716 0.000 1.279 271 G CA -0.476 44.510 45.100 -0.191 0.000 0.974 271 G HN 0.292 nan 8.290 nan 0.000 0.484 272 F N -0.233 119.656 119.950 -0.101 0.000 2.581 272 F HA 0.473 5.049 4.527 0.082 0.000 0.311 272 F C 1.091 176.792 175.800 -0.165 0.000 1.113 272 F CA -0.613 57.247 58.000 -0.233 0.000 0.935 272 F CB 2.618 41.434 39.000 -0.305 0.000 1.232 272 F HN 0.606 nan 8.300 nan 0.000 0.445 273 G N 0.667 109.516 108.800 0.081 0.000 2.744 273 G HA2 0.202 4.213 3.960 0.085 0.000 0.211 273 G HA3 0.202 4.213 3.960 0.085 0.000 0.211 273 G C 1.092 176.046 174.900 0.091 0.000 1.143 273 G CA 0.873 46.076 45.100 0.172 0.000 0.788 273 G HN 0.691 nan 8.290 nan 0.000 0.534 274 V N -0.238 119.648 119.914 -0.047 0.000 0.558 274 V HA -0.307 3.864 4.120 0.085 0.000 0.092 274 V C 1.000 176.945 176.094 -0.248 0.000 2.022 274 V CA 2.093 64.230 62.300 -0.272 0.000 3.478 274 V CB -1.438 30.116 31.823 -0.449 0.000 0.770 274 V HN 0.619 nan 8.190 nan 0.000 0.801 275 H N 0.868 119.941 119.070 0.005 0.000 2.547 275 H HA 0.389 4.994 4.556 0.082 0.000 0.362 275 H C 0.303 175.552 175.328 -0.131 0.000 1.181 275 H CA 0.603 56.556 56.048 -0.159 0.000 1.376 275 H CB 0.624 30.118 29.762 -0.446 0.000 1.488 275 H HN 0.496 nan 8.280 nan 0.000 0.583 276 T N 3.635 118.147 114.554 -0.071 0.000 2.779 276 T HA 0.189 4.590 4.350 0.085 0.000 0.296 276 T C 0.265 174.889 174.700 -0.126 0.000 0.938 276 T CA 0.108 62.160 62.100 -0.081 0.000 1.119 276 T CB -0.277 68.490 68.868 -0.168 0.000 0.891 276 T HN 0.228 nan 8.240 nan 0.000 0.526 277 F N 1.383 121.301 119.950 -0.052 0.000 2.535 277 F HA 0.639 5.214 4.527 0.080 0.000 0.367 277 F C 1.090 176.865 175.800 -0.041 0.000 1.096 277 F CA -1.311 56.688 58.000 -0.001 0.000 1.088 277 F CB 1.288 40.283 39.000 -0.009 0.000 1.387 277 F HN 0.192 nan 8.300 nan 0.000 0.494 278 R N 0.666 121.246 120.500 0.134 0.000 2.670 278 R HA 0.609 4.999 4.340 0.085 0.000 0.289 278 R C -1.574 174.621 176.300 -0.175 0.000 0.965 278 R CA -0.820 55.217 56.100 -0.105 0.000 0.899 278 R CB 1.771 31.937 30.300 -0.224 0.000 1.173 278 R HN 0.429 nan 8.270 nan 0.000 0.456 279 L N 3.902 124.971 121.223 -0.257 0.000 2.307 279 L HA 0.504 4.895 4.340 0.085 0.000 0.282 279 L C -0.356 176.355 176.870 -0.265 0.000 1.051 279 L CA -0.823 53.870 54.840 -0.245 0.000 0.804 279 L CB 1.078 42.998 42.059 -0.231 0.000 1.197 279 L HN 0.362 nan 8.230 nan 0.000 0.431 280 I N 2.822 123.257 120.570 -0.225 0.000 2.418 280 I HA 0.268 4.489 4.170 0.085 0.000 0.287 280 I C -0.173 175.852 176.117 -0.154 0.000 1.008 280 I CA -0.715 60.453 61.300 -0.220 0.000 1.104 280 I CB 1.387 39.262 38.000 -0.208 0.000 1.264 280 I HN 0.636 nan 8.210 nan 0.000 0.438 281 N N 4.966 123.589 118.700 -0.129 0.000 2.405 281 N HA 0.345 5.136 4.740 0.085 0.000 0.269 281 N C 0.827 176.294 175.510 -0.072 0.000 1.249 281 N CA -0.267 52.729 53.050 -0.089 0.000 0.974 281 N CB 0.642 39.085 38.487 -0.074 0.000 1.204 281 N HN 0.539 nan 8.380 nan 0.000 0.565 282 A N -0.519 122.269 122.820 -0.054 0.000 2.015 282 A HA -0.161 4.210 4.320 0.085 0.000 0.219 282 A C 1.528 179.090 177.584 -0.036 0.000 1.163 282 A CA 1.513 53.525 52.037 -0.042 0.000 0.646 282 A CB -1.002 17.979 19.000 -0.031 0.000 0.806 282 A HN 0.880 nan 8.150 nan 0.000 0.448 283 E N -1.302 118.878 120.200 -0.034 0.000 2.511 283 E HA 0.320 4.721 4.350 0.085 0.000 0.196 283 E C 1.061 177.648 176.600 -0.021 0.000 1.066 283 E CA 0.455 56.839 56.400 -0.025 0.000 0.871 283 E CB -0.454 29.233 29.700 -0.022 0.000 0.863 283 E HN 0.712 nan 8.360 nan 0.000 0.520 284 G N 1.588 110.371 108.800 -0.028 0.000 2.143 284 G HA2 -0.395 3.615 3.960 0.085 0.000 0.249 284 G HA3 -0.395 3.615 3.960 0.085 0.000 0.249 284 G C 0.121 175.027 174.900 0.010 0.000 0.981 284 G CA 0.351 45.449 45.100 -0.002 0.000 0.665 284 G HN 0.393 nan 8.290 nan 0.000 0.528 285 K N 0.650 121.022 120.400 -0.048 0.000 2.276 285 K HA 0.675 5.045 4.320 0.085 0.000 0.283 285 K C 0.545 177.006 176.600 -0.231 0.000 1.044 285 K CA 0.103 56.337 56.287 -0.088 0.000 0.944 285 K CB 0.643 33.096 32.500 -0.079 0.000 1.012 285 K HN 0.593 nan 8.250 nan 0.000 0.472 286 A N 3.442 126.020 122.820 -0.404 0.000 2.301 286 A HA 0.412 4.783 4.320 0.085 0.000 0.312 286 A C -0.739 176.533 177.584 -0.520 0.000 1.182 286 A CA -0.514 51.128 52.037 -0.660 0.000 0.826 286 A CB 1.093 19.287 19.000 -1.343 0.000 1.134 286 A HN 0.741 nan 8.150 nan 0.000 0.501 287 T N 2.409 116.689 114.554 -0.457 0.000 2.824 287 T HA 0.536 4.937 4.350 0.085 0.000 0.282 287 T C -0.619 173.855 174.700 -0.376 0.000 0.993 287 T CA -0.078 61.803 62.100 -0.364 0.000 0.967 287 T CB 0.428 69.177 68.868 -0.199 0.000 0.960 287 T HN 0.339 nan 8.240 nan 0.000 0.441 288 F N 2.125 121.981 119.950 -0.156 0.000 2.471 288 F HA 0.517 5.094 4.527 0.083 0.000 0.353 288 F C 0.576 176.257 175.800 -0.199 0.000 1.113 288 F CA -0.435 57.468 58.000 -0.162 0.000 1.262 288 F CB 0.645 39.572 39.000 -0.122 0.000 1.146 288 F HN 0.185 nan 8.300 nan 0.000 0.578 289 V N 4.655 124.536 119.914 -0.055 0.000 2.888 289 V HA 0.612 4.783 4.120 0.085 0.000 0.309 289 V C -0.966 174.910 176.094 -0.364 0.000 1.114 289 V CA -0.789 61.321 62.300 -0.317 0.000 0.940 289 V CB 2.161 33.563 31.823 -0.702 0.000 1.021 289 V HN 0.773 nan 8.190 nan 0.000 0.426 290 R N 4.283 124.605 120.500 -0.296 0.000 2.637 290 R HA 0.582 4.973 4.340 0.085 0.000 0.291 290 R C -1.659 174.510 176.300 -0.219 0.000 0.963 290 R CA -0.468 55.491 56.100 -0.236 0.000 0.901 290 R CB 2.112 32.409 30.300 -0.005 0.000 1.160 290 R HN 0.595 nan 8.270 nan 0.000 0.457 291 F N 1.734 121.708 119.950 0.039 0.000 2.399 291 F HA 0.394 4.970 4.527 0.082 0.000 0.334 291 F C 0.905 176.611 175.800 -0.157 0.000 1.097 291 F CA -0.183 57.806 58.000 -0.018 0.000 1.076 291 F CB 1.020 39.897 39.000 -0.205 0.000 1.162 291 F HN 0.202 nan 8.300 nan 0.000 0.495 292 H N 0.663 119.720 119.070 -0.022 0.000 2.768 292 H HA 0.271 4.879 4.556 0.087 0.000 0.371 292 H C -1.570 173.519 175.328 -0.399 0.000 1.151 292 H CA -1.000 54.920 56.048 -0.213 0.000 1.165 292 H CB 2.077 31.799 29.762 -0.066 0.000 1.722 292 H HN 0.667 nan 8.280 nan 0.000 0.543 293 W N 2.070 123.244 121.300 -0.210 0.000 2.600 293 W HA 0.318 5.026 4.660 0.081 0.000 0.325 293 W C -0.199 176.344 176.519 0.040 0.000 1.034 293 W CA -0.760 56.526 57.345 -0.099 0.000 1.226 293 W CB 1.878 31.117 29.460 -0.369 0.000 1.379 293 W HN 0.278 nan 8.180 nan 0.000 0.466 294 K N 5.791 126.462 120.400 0.452 0.000 2.307 294 K HA 0.409 4.779 4.320 0.085 0.000 0.263 294 K C -2.493 174.326 176.600 0.366 0.000 0.973 294 K CA -1.883 54.602 56.287 0.329 0.000 0.846 294 K CB 1.583 34.223 32.500 0.234 0.000 1.100 294 K HN 0.043 nan 8.250 nan 0.000 0.438 295 P HA 0.055 nan 4.420 nan 0.000 0.276 295 P C 0.382 177.687 177.300 0.008 0.000 1.243 295 P CA -0.153 63.001 63.100 0.090 0.000 0.768 295 P CB 0.912 32.681 31.700 0.115 0.000 0.856 296 L N 2.747 123.920 121.223 -0.085 0.000 2.395 296 L HA -0.053 4.338 4.340 0.085 0.000 0.218 296 L C 2.257 179.107 176.870 -0.034 0.000 1.130 296 L CA 1.005 55.834 54.840 -0.018 0.000 0.826 296 L CB -0.562 41.493 42.059 -0.006 0.000 0.941 296 L HN 0.354 nan 8.230 nan 0.000 0.451 297 A N 0.134 122.904 122.820 -0.083 0.000 2.235 297 A HA 0.349 4.720 4.320 0.085 0.000 0.208 297 A C 1.295 178.873 177.584 -0.009 0.000 1.172 297 A CA 0.771 52.779 52.037 -0.049 0.000 0.786 297 A CB -0.540 18.414 19.000 -0.076 0.000 0.804 297 A HN 0.469 nan 8.150 nan 0.000 0.479 298 G N -0.816 107.991 108.800 0.012 0.000 2.756 298 G HA2 -0.141 3.870 3.960 0.085 0.000 0.678 298 G HA3 -0.141 3.870 3.960 0.085 0.000 0.678 298 G C -0.616 174.309 174.900 0.043 0.000 1.349 298 G CA -0.357 44.770 45.100 0.044 0.000 0.847 298 G HN 0.480 nan 8.290 nan 0.000 0.548 299 K N 0.175 120.605 120.400 0.050 0.000 2.183 299 K HA 0.720 5.091 4.320 0.085 0.000 0.274 299 K C 0.207 176.798 176.600 -0.015 0.000 1.009 299 K CA 0.194 56.495 56.287 0.023 0.000 0.888 299 K CB 1.775 34.277 32.500 0.003 0.000 1.078 299 K HN 1.421 nan 8.250 nan 0.000 0.459 300 A N 1.744 124.548 122.820 -0.027 0.000 2.566 300 A HA 0.619 4.990 4.320 0.085 0.000 0.297 300 A C -1.138 176.498 177.584 0.087 0.000 1.059 300 A CA -0.675 51.312 52.037 -0.084 0.000 0.691 300 A CB 1.768 20.530 19.000 -0.397 0.000 1.282 300 A HN 0.516 nan 8.150 nan 0.000 0.401 301 S N 0.358 116.264 115.700 0.344 0.000 2.632 301 S HA 0.751 5.272 4.470 0.085 0.000 0.289 301 S C -0.129 174.782 174.600 0.518 0.000 1.115 301 S CA -0.589 57.852 58.200 0.402 0.000 0.889 301 S CB 1.212 64.644 63.200 0.386 0.000 1.116 301 S HN 0.643 nan 8.310 nan 0.000 0.486 302 L N 1.317 122.740 121.223 0.333 0.000 2.505 302 L HA 0.533 4.924 4.340 0.085 0.000 0.226 302 L C 0.073 177.056 176.870 0.188 0.000 1.211 302 L CA -0.739 54.221 54.840 0.200 0.000 0.828 302 L CB 0.213 42.303 42.059 0.052 0.000 1.331 302 L HN 0.496 nan 8.230 nan 0.000 0.513 303 V N -3.082 116.839 119.914 0.013 0.000 2.850 303 V HA 0.182 4.353 4.120 0.085 0.000 0.315 303 V C 0.678 176.711 176.094 -0.101 0.000 1.064 303 V CA -0.784 61.496 62.300 -0.033 0.000 0.979 303 V CB 1.569 33.346 31.823 -0.076 0.000 1.039 303 V HN 0.941 nan 8.190 nan 0.000 0.452 304 W N 1.577 122.742 121.300 -0.225 0.000 2.335 304 W HA -0.210 4.500 4.660 0.084 0.000 0.311 304 W C 1.764 178.124 176.519 -0.265 0.000 1.213 304 W CA 2.523 59.730 57.345 -0.231 0.000 1.274 304 W CB -0.081 29.227 29.460 -0.253 0.000 1.148 304 W HN 1.002 nan 8.180 nan 0.000 0.498 305 D N 0.197 120.310 120.400 -0.478 0.000 2.144 305 D HA -0.280 4.411 4.640 0.085 0.000 0.199 305 D C 2.158 178.091 176.300 -0.613 0.000 0.984 305 D CA 2.039 55.719 54.000 -0.533 0.000 0.834 305 D CB -0.429 40.308 40.800 -0.106 0.000 0.955 305 D HN 0.361 nan 8.370 nan 0.000 0.465 306 E N -0.291 119.420 120.200 -0.814 0.000 2.047 306 E HA -0.204 4.196 4.350 0.085 0.000 0.191 306 E C 2.046 178.297 176.600 -0.581 0.000 0.987 306 E CA 1.031 56.908 56.400 -0.871 0.000 0.799 306 E CB -0.234 28.865 29.700 -1.001 0.000 0.752 306 E HN 0.305 nan 8.360 nan 0.000 0.449 307 A N 1.197 123.699 122.820 -0.531 0.000 1.908 307 A HA -0.282 4.089 4.320 0.085 0.000 0.218 307 A C 2.185 179.422 177.584 -0.577 0.000 1.181 307 A CA 1.935 53.700 52.037 -0.453 0.000 0.627 307 A CB -0.724 18.107 19.000 -0.281 0.000 0.818 307 A HN 0.468 nan 8.150 nan 0.000 0.445 308 Q N -0.681 118.571 119.800 -0.912 0.000 2.083 308 Q HA -0.154 4.237 4.340 0.085 0.000 0.198 308 Q C 2.170 177.893 176.000 -0.463 0.000 0.969 308 Q CA 1.696 56.999 55.803 -0.833 0.000 0.838 308 Q CB -0.129 27.847 28.738 -1.270 0.000 0.900 308 Q HN 0.676 nan 8.270 nan 0.000 0.436 309 K N -0.031 120.117 120.400 -0.420 0.000 2.148 309 K HA -0.142 4.229 4.320 0.085 0.000 0.204 309 K C 2.002 178.455 176.600 -0.246 0.000 1.050 309 K CA 0.669 56.801 56.287 -0.258 0.000 0.942 309 K CB -0.009 32.383 32.500 -0.180 0.000 0.724 309 K HN 0.166 nan 8.250 nan 0.000 0.446 310 L N 1.367 122.398 121.223 -0.321 0.000 2.201 310 L HA -0.120 4.271 4.340 0.085 0.000 0.212 310 L C 2.193 178.918 176.870 -0.243 0.000 1.105 310 L CA 2.132 56.777 54.840 -0.325 0.000 0.775 310 L CB -0.944 40.823 42.059 -0.486 0.000 0.913 310 L HN 0.365 nan 8.230 nan 0.000 0.440 311 T N -4.279 110.137 114.554 -0.230 0.000 2.849 311 T HA -0.097 4.304 4.350 0.085 0.000 0.270 311 T C 1.872 176.506 174.700 -0.110 0.000 1.066 311 T CA 1.080 63.090 62.100 -0.150 0.000 1.130 311 T CB -0.960 67.832 68.868 -0.128 0.000 0.864 311 T HN 0.370 nan 8.240 nan 0.000 0.481 312 G N 1.038 109.767 108.800 -0.118 0.000 2.408 312 G HA2 -0.006 4.005 3.960 0.085 0.000 0.213 312 G HA3 -0.006 4.005 3.960 0.085 0.000 0.213 312 G C 1.923 176.779 174.900 -0.075 0.000 1.177 312 G CA -0.205 44.844 45.100 -0.085 0.000 0.802 312 G HN 0.312 nan 8.290 nan 0.000 0.533 313 R N 0.157 120.602 120.500 -0.091 0.000 2.119 313 R HA 0.071 4.462 4.340 0.085 0.000 0.222 313 R C -0.176 176.096 176.300 -0.048 0.000 1.088 313 R CA 0.690 56.750 56.100 -0.067 0.000 0.984 313 R CB -0.139 30.112 30.300 -0.082 0.000 0.884 313 R HN 0.327 nan 8.270 nan 0.000 0.447 314 D N -0.392 119.971 120.400 -0.062 0.000 2.411 314 D HA 0.148 4.839 4.640 0.085 0.000 0.239 314 D C -2.163 174.134 176.300 -0.006 0.000 1.307 314 D CA -1.734 52.263 54.000 -0.004 0.000 0.930 314 D CB 1.370 42.214 40.800 0.074 0.000 1.395 314 D HN -0.133 nan 8.370 nan 0.000 0.536 315 P HA 0.044 nan 4.420 nan 0.000 0.234 315 P C 0.093 177.401 177.300 0.012 0.000 1.167 315 P CA 0.492 63.580 63.100 -0.020 0.000 0.763 315 P CB 0.480 32.165 31.700 -0.024 0.000 0.835 316 D N -1.275 119.145 120.400 0.033 0.000 2.358 316 D HA 0.057 4.748 4.640 0.085 0.000 0.224 316 D C 1.249 177.599 176.300 0.083 0.000 1.123 316 D CA -0.354 53.675 54.000 0.048 0.000 0.833 316 D CB -0.538 40.266 40.800 0.008 0.000 0.946 316 D HN 0.147 nan 8.370 nan 0.000 0.505 317 F N 1.205 121.102 119.950 -0.090 0.000 2.126 317 F HA -0.247 4.330 4.527 0.084 0.000 0.299 317 F C 2.039 177.820 175.800 -0.032 0.000 1.096 317 F CA 1.838 59.781 58.000 -0.094 0.000 1.255 317 F CB 0.069 38.956 39.000 -0.189 0.000 0.997 317 F HN 0.109 nan 8.300 nan 0.000 0.479 318 H N -1.256 117.751 119.070 -0.105 0.000 2.403 318 H HA -0.045 4.561 4.556 0.084 0.000 0.298 318 H C 2.360 177.599 175.328 -0.148 0.000 1.059 318 H CA 0.708 56.537 56.048 -0.364 0.000 1.363 318 H CB -0.056 29.334 29.762 -0.620 0.000 1.410 318 H HN 0.175 nan 8.280 nan 0.000 0.528 319 R N 1.297 121.905 120.500 0.180 0.000 2.081 319 R HA -0.129 4.261 4.340 0.085 0.000 0.235 319 R C 2.409 178.823 176.300 0.189 0.000 1.131 319 R CA 1.342 57.597 56.100 0.259 0.000 0.960 319 R CB -0.016 30.422 30.300 0.229 0.000 0.856 319 R HN 0.193 nan 8.270 nan 0.000 0.436 320 R N 0.331 120.867 120.500 0.061 0.000 2.075 320 R HA -0.177 4.214 4.340 0.085 0.000 0.232 320 R C 2.159 178.467 176.300 0.013 0.000 1.126 320 R CA 1.908 58.027 56.100 0.032 0.000 0.963 320 R CB -0.166 30.116 30.300 -0.031 0.000 0.858 320 R HN 0.254 nan 8.270 nan 0.000 0.435 321 E N 0.748 120.850 120.200 -0.164 0.000 2.085 321 E HA -0.227 4.174 4.350 0.085 0.000 0.194 321 E C 1.880 178.459 176.600 -0.034 0.000 0.994 321 E CA 1.460 57.733 56.400 -0.212 0.000 0.801 321 E CB -0.425 28.993 29.700 -0.469 0.000 0.743 321 E HN 0.325 nan 8.360 nan 0.000 0.453 322 L N 0.094 121.342 121.223 0.043 0.000 1.994 322 L HA -0.089 4.302 4.340 0.085 0.000 0.208 322 L C 2.266 179.246 176.870 0.182 0.000 1.071 322 L CA 2.158 57.074 54.840 0.127 0.000 0.745 322 L CB -0.961 41.239 42.059 0.234 0.000 0.892 322 L HN 0.427 nan 8.230 nan 0.000 0.431 323 W N 0.904 122.247 121.300 0.072 0.000 2.335 323 W HA -0.212 4.497 4.660 0.083 0.000 0.311 323 W C 2.212 178.766 176.519 0.059 0.000 1.213 323 W CA 2.202 59.599 57.345 0.087 0.000 1.274 323 W CB -0.107 29.406 29.460 0.088 0.000 1.148 323 W HN 0.358 nan 8.180 nan 0.000 0.498 324 E N -0.123 120.258 120.200 0.301 0.000 2.208 324 E HA -0.105 4.296 4.350 0.085 0.000 0.193 324 E C 2.333 178.970 176.600 0.063 0.000 0.988 324 E CA 0.870 57.373 56.400 0.172 0.000 0.828 324 E CB -0.294 29.458 29.700 0.087 0.000 0.763 324 E HN 0.177 nan 8.360 nan 0.000 0.478 325 A N 1.337 124.192 122.820 0.058 0.000 1.902 325 A HA -0.180 4.190 4.320 0.085 0.000 0.217 325 A C 2.144 179.765 177.584 0.062 0.000 1.181 325 A CA 1.087 53.152 52.037 0.046 0.000 0.623 325 A CB -0.506 18.521 19.000 0.045 0.000 0.818 325 A HN 0.141 nan 8.150 nan 0.000 0.443 326 I N -0.626 119.998 120.570 0.091 0.000 2.353 326 I HA -0.196 4.025 4.170 0.085 0.000 0.248 326 I C 2.371 178.572 176.117 0.140 0.000 1.119 326 I CA 1.209 62.617 61.300 0.180 0.000 1.417 326 I CB -0.368 37.661 38.000 0.049 0.000 1.078 326 I HN 0.417 nan 8.210 nan 0.000 0.421 327 E N 0.854 121.080 120.200 0.043 0.000 2.204 327 E HA -0.141 4.260 4.350 0.085 0.000 0.194 327 E C 2.054 178.676 176.600 0.036 0.000 0.989 327 E CA 1.065 57.500 56.400 0.059 0.000 0.824 327 E CB -0.010 29.752 29.700 0.103 0.000 0.756 327 E HN 0.472 nan 8.360 nan 0.000 0.477 328 A N 0.101 122.918 122.820 -0.005 0.000 2.218 328 A HA 0.246 4.617 4.320 0.085 0.000 0.209 328 A C 1.742 179.262 177.584 -0.105 0.000 1.168 328 A CA 0.846 52.857 52.037 -0.044 0.000 0.804 328 A CB -0.080 18.873 19.000 -0.078 0.000 0.834 328 A HN 0.312 nan 8.150 nan 0.000 0.482 329 G N -0.270 108.388 108.800 -0.236 0.000 2.159 329 G HA2 -0.218 3.793 3.960 0.085 0.000 0.256 329 G HA3 -0.218 3.793 3.960 0.085 0.000 0.256 329 G C -0.165 174.245 174.900 -0.817 0.000 0.977 329 G CA 0.285 44.927 45.100 -0.763 0.000 0.652 329 G HN 0.461 nan 8.290 nan 0.000 0.531 330 D N 0.929 121.120 120.400 -0.349 0.000 2.801 330 D HA 0.268 4.958 4.640 0.085 0.000 0.232 330 D C 0.834 177.086 176.300 -0.081 0.000 1.128 330 D CA -0.110 53.785 54.000 -0.175 0.000 1.003 330 D CB -0.699 40.097 40.800 -0.006 0.000 1.110 330 D HN 0.443 nan 8.370 nan 0.000 0.477 331 F N 1.238 121.193 119.950 0.007 0.000 2.608 331 F HA 0.083 4.661 4.527 0.085 0.000 0.380 331 F C -1.366 174.407 175.800 -0.044 0.000 1.083 331 F CA -1.891 56.105 58.000 -0.006 0.000 1.266 331 F CB 0.015 39.022 39.000 0.011 0.000 1.076 331 F HN -0.103 nan 8.300 nan 0.000 0.574 332 P HA 0.037 nan 4.420 nan 0.000 0.263 332 P C -1.107 176.137 177.300 -0.093 0.000 1.195 332 P CA 0.382 63.472 63.100 -0.016 0.000 0.762 332 P CB 0.470 32.260 31.700 0.149 0.000 0.799 333 E N 2.374 122.374 120.200 -0.333 0.000 2.266 333 E HA 0.486 4.887 4.350 0.085 0.000 0.268 333 E C -1.085 175.214 176.600 -0.502 0.000 0.879 333 E CA -0.572 55.693 56.400 -0.225 0.000 0.762 333 E CB 1.541 31.203 29.700 -0.063 0.000 1.199 333 E HN 0.365 nan 8.360 nan 0.000 0.422 334 Y N 0.219 120.593 120.300 0.123 0.000 2.492 334 Y HA 0.248 4.850 4.550 0.088 0.000 0.346 334 Y C -0.299 175.823 175.900 0.370 0.000 0.997 334 Y CA -0.978 57.269 58.100 0.245 0.000 1.025 334 Y CB 2.008 40.595 38.460 0.211 0.000 1.263 334 Y HN 0.464 nan 8.280 nan 0.000 0.454 335 E N 2.507 123.015 120.200 0.513 0.000 2.174 335 E HA 0.411 4.812 4.350 0.085 0.000 0.282 335 E C -1.471 175.390 176.600 0.436 0.000 0.992 335 E CA -0.928 55.719 56.400 0.411 0.000 0.803 335 E CB 1.021 30.901 29.700 0.300 0.000 1.090 335 E HN 0.579 nan 8.360 nan 0.000 0.396 336 L N 4.265 125.663 121.223 0.291 0.000 2.367 336 L HA 0.524 4.915 4.340 0.085 0.000 0.275 336 L C -0.135 176.648 176.870 -0.146 0.000 1.129 336 L CA 0.493 55.232 54.840 -0.169 0.000 0.839 336 L CB 1.077 43.000 42.059 -0.226 0.000 1.133 336 L HN 0.562 nan 8.230 nan 0.000 0.453 337 G N 4.668 113.418 108.800 -0.085 0.000 2.638 337 G HA2 0.540 4.550 3.960 0.085 0.000 0.302 337 G HA3 0.540 4.550 3.960 0.085 0.000 0.302 337 G C -1.542 173.526 174.900 0.279 0.000 1.365 337 G CA -0.498 44.601 45.100 -0.002 0.000 0.987 337 G HN 0.473 nan 8.290 nan 0.000 0.495 338 F N 0.374 120.328 119.950 0.007 0.000 2.482 338 F HA 0.397 4.975 4.527 0.086 0.000 0.331 338 F C 0.416 176.198 175.800 -0.030 0.000 1.115 338 F CA -0.975 57.026 58.000 0.001 0.000 0.955 338 F CB 2.520 41.506 39.000 -0.024 0.000 1.136 338 F HN 0.129 nan 8.300 nan 0.000 0.452 339 Q N 4.267 124.165 119.800 0.163 0.000 2.303 339 Q HA 0.521 4.912 4.340 0.085 0.000 0.257 339 Q C -1.088 174.941 176.000 0.049 0.000 0.941 339 Q CA -0.519 55.332 55.803 0.079 0.000 0.931 339 Q CB 2.317 31.109 28.738 0.090 0.000 1.215 339 Q HN 0.540 nan 8.270 nan 0.000 0.437 340 L N 3.921 125.184 121.223 0.067 0.000 2.346 340 L HA 0.614 5.005 4.340 0.085 0.000 0.276 340 L C -0.820 176.102 176.870 0.087 0.000 1.006 340 L CA -0.819 54.051 54.840 0.051 0.000 0.817 340 L CB 1.358 43.455 42.059 0.063 0.000 1.272 340 L HN 0.512 nan 8.230 nan 0.000 0.421 341 I N 3.972 124.612 120.570 0.117 0.000 2.512 341 I HA 0.402 4.622 4.170 0.085 0.000 0.287 341 I C -2.391 173.844 176.117 0.198 0.000 1.069 341 I CA -1.622 59.792 61.300 0.190 0.000 1.056 341 I CB 2.194 40.334 38.000 0.234 0.000 1.229 341 I HN 0.294 nan 8.210 nan 0.000 0.429 342 P HA 0.080 nan 4.420 nan 0.000 0.269 342 P C 0.665 178.017 177.300 0.088 0.000 1.215 342 P CA -0.208 62.922 63.100 0.050 0.000 0.780 342 P CB 0.784 32.510 31.700 0.043 0.000 0.898 343 E N 1.430 121.582 120.200 -0.081 0.000 2.160 343 E HA -0.268 4.133 4.350 0.085 0.000 0.195 343 E C 0.714 177.385 176.600 0.119 0.000 0.991 343 E CA 1.455 57.802 56.400 -0.089 0.000 0.810 343 E CB 0.005 29.576 29.700 -0.216 0.000 0.742 343 E HN 0.421 nan 8.360 nan 0.000 0.466 344 E N 0.466 120.713 120.200 0.078 0.000 2.478 344 E HA -0.095 4.306 4.350 0.085 0.000 0.198 344 E C 0.582 177.240 176.600 0.097 0.000 1.046 344 E CA 0.842 57.298 56.400 0.093 0.000 0.870 344 E CB 0.148 29.884 29.700 0.059 0.000 0.818 344 E HN 0.251 nan 8.360 nan 0.000 0.527 345 D N 0.081 120.543 120.400 0.104 0.000 2.363 345 D HA -0.011 4.680 4.640 0.085 0.000 0.214 345 D C 1.217 177.544 176.300 0.046 0.000 1.093 345 D CA 0.041 54.078 54.000 0.062 0.000 0.837 345 D CB 0.078 40.923 40.800 0.076 0.000 0.948 345 D HN 0.251 nan 8.370 nan 0.000 0.507 346 E N -0.089 120.104 120.200 -0.013 0.000 2.136 346 E HA -0.220 4.180 4.350 0.085 0.000 0.202 346 E C 0.347 176.618 176.600 -0.549 0.000 1.019 346 E CA 1.245 57.410 56.400 -0.392 0.000 0.819 346 E CB -0.010 29.267 29.700 -0.704 0.000 0.739 346 E HN 0.275 nan 8.360 nan 0.000 0.458 347 F N -0.560 119.399 119.950 0.015 0.000 2.684 347 F HA 0.285 4.863 4.527 0.084 0.000 0.298 347 F C 1.255 176.983 175.800 -0.121 0.000 1.120 347 F CA -0.303 57.676 58.000 -0.035 0.000 1.332 347 F CB 0.589 39.577 39.000 -0.021 0.000 0.986 347 F HN -0.182 nan 8.300 nan 0.000 0.524 348 K N 0.004 120.312 120.400 -0.153 0.000 2.444 348 K HA 0.131 4.501 4.320 0.085 0.000 0.193 348 K C -0.196 175.993 176.600 -0.685 0.000 1.024 348 K CA 0.387 56.412 56.287 -0.436 0.000 1.077 348 K CB 0.240 32.403 32.500 -0.562 0.000 0.833 348 K HN 0.162 nan 8.250 nan 0.000 0.517 349 F N 0.534 120.336 119.950 -0.246 0.000 2.509 349 F HA 0.103 4.682 4.527 0.086 0.000 0.334 349 F C 0.996 176.594 175.800 -0.336 0.000 1.060 349 F CA -1.269 56.491 58.000 -0.399 0.000 0.997 349 F CB 0.780 39.194 39.000 -0.976 0.000 1.271 349 F HN -0.039 nan 8.300 nan 0.000 0.488 350 D N -0.419 119.983 120.400 0.004 0.000 2.336 350 D HA 0.102 4.793 4.640 0.085 0.000 0.228 350 D C -0.566 175.833 176.300 0.166 0.000 1.120 350 D CA 0.089 54.143 54.000 0.090 0.000 0.839 350 D CB -0.819 40.064 40.800 0.138 0.000 0.932 350 D HN 0.246 nan 8.370 nan 0.000 0.509 351 F N -2.040 117.995 119.950 0.143 0.000 2.629 351 F HA 0.531 5.109 4.527 0.084 0.000 0.316 351 F C -0.506 175.289 175.800 -0.008 0.000 1.081 351 F CA -1.717 56.288 58.000 0.009 0.000 0.954 351 F CB 1.004 39.956 39.000 -0.080 0.000 1.337 351 F HN -0.331 nan 8.300 nan 0.000 0.474 352 D N 1.745 122.178 120.400 0.054 0.000 2.277 352 D HA 0.219 4.910 4.640 0.085 0.000 0.249 352 D C 0.951 177.211 176.300 -0.067 0.000 1.134 352 D CA -0.063 53.916 54.000 -0.034 0.000 0.863 352 D CB 1.519 42.333 40.800 0.024 0.000 1.143 352 D HN 0.756 nan 8.370 nan 0.000 0.458 353 L N 3.471 124.581 121.223 -0.188 0.000 2.265 353 L HA -0.126 4.264 4.340 0.085 0.000 0.215 353 L C 1.984 178.723 176.870 -0.218 0.000 1.117 353 L CA 0.641 55.344 54.840 -0.227 0.000 0.782 353 L CB -0.091 41.677 42.059 -0.485 0.000 0.914 353 L HN 0.451 nan 8.230 nan 0.000 0.441 354 L N -1.003 120.118 121.223 -0.171 0.000 2.599 354 L HA 0.028 4.419 4.340 0.085 0.000 0.230 354 L C 0.500 177.299 176.870 -0.118 0.000 1.141 354 L CA -0.035 54.769 54.840 -0.060 0.000 0.877 354 L CB -0.350 41.780 42.059 0.119 0.000 1.009 354 L HN 0.107 nan 8.230 nan 0.000 0.447 355 D N 1.713 121.813 120.400 -0.499 0.000 2.313 355 D HA 0.132 4.823 4.640 0.085 0.000 0.239 355 D C -1.724 174.342 176.300 -0.390 0.000 1.142 355 D CA -2.320 51.124 54.000 -0.926 0.000 0.847 355 D CB 1.650 41.660 40.800 -1.317 0.000 1.082 355 D HN -0.082 nan 8.370 nan 0.000 0.480 356 P HA 0.017 nan 4.420 nan 0.000 0.253 356 P C 0.775 177.976 177.300 -0.165 0.000 1.260 356 P CA 0.331 63.350 63.100 -0.134 0.000 0.800 356 P CB -0.010 31.695 31.700 0.008 0.000 1.162 357 T N -4.191 110.256 114.554 -0.178 0.000 3.107 357 T HA 0.151 4.552 4.350 0.085 0.000 0.249 357 T C 0.761 175.378 174.700 -0.139 0.000 1.096 357 T CA 0.006 62.018 62.100 -0.146 0.000 1.012 357 T CB -0.141 68.686 68.868 -0.067 0.000 0.977 357 T HN -0.144 nan 8.240 nan 0.000 0.527 358 K N 1.895 122.115 120.400 -0.301 0.000 2.207 358 K HA 0.604 4.974 4.320 0.085 0.000 0.255 358 K C -0.353 176.068 176.600 -0.299 0.000 0.941 358 K CA -0.896 55.093 56.287 -0.498 0.000 0.825 358 K CB 2.149 34.203 32.500 -0.743 0.000 1.119 358 K HN 0.288 nan 8.250 nan 0.000 0.430 359 L N -0.714 120.464 121.223 -0.075 0.000 2.358 359 L HA 0.657 5.048 4.340 0.085 0.000 0.268 359 L C -0.082 176.616 176.870 -0.287 0.000 1.032 359 L CA -0.536 54.216 54.840 -0.146 0.000 0.805 359 L CB 0.363 42.410 42.059 -0.021 0.000 1.253 359 L HN 0.445 nan 8.230 nan 0.000 0.452 360 I N 1.512 122.002 120.570 -0.133 0.000 2.307 360 I HA 0.384 4.605 4.170 0.085 0.000 0.289 360 I C -2.127 174.010 176.117 0.032 0.000 1.021 360 I CA -1.651 59.622 61.300 -0.045 0.000 1.224 360 I CB 1.195 39.182 38.000 -0.021 0.000 1.376 360 I HN 0.442 nan 8.210 nan 0.000 0.470 361 P HA 0.084 nan 4.420 nan 0.000 0.271 361 P C 0.245 177.609 177.300 0.107 0.000 1.216 361 P CA -0.084 63.063 63.100 0.079 0.000 0.771 361 P CB 0.668 32.409 31.700 0.068 0.000 0.864 362 E N 1.577 121.846 120.200 0.115 0.000 2.204 362 E HA -0.185 4.216 4.350 0.085 0.000 0.194 362 E C 1.364 178.015 176.600 0.085 0.000 0.989 362 E CA 0.768 57.223 56.400 0.091 0.000 0.824 362 E CB -0.032 29.719 29.700 0.085 0.000 0.756 362 E HN 0.509 nan 8.360 nan 0.000 0.477 363 E N 0.543 120.795 120.200 0.087 0.000 2.153 363 E HA -0.157 4.244 4.350 0.085 0.000 0.194 363 E C 2.099 178.762 176.600 0.104 0.000 0.988 363 E CA 0.795 57.244 56.400 0.082 0.000 0.811 363 E CB 0.027 29.770 29.700 0.071 0.000 0.746 363 E HN 0.378 nan 8.360 nan 0.000 0.466 364 L N -0.287 121.021 121.223 0.141 0.000 2.168 364 L HA 0.032 4.423 4.340 0.085 0.000 0.203 364 L C 0.739 177.731 176.870 0.203 0.000 1.078 364 L CA 0.510 55.473 54.840 0.206 0.000 0.780 364 L CB 0.295 42.547 42.059 0.322 0.000 0.939 364 L HN -0.191 nan 8.230 nan 0.000 0.451 365 V N 1.449 121.456 119.914 0.155 0.000 2.419 365 V HA 0.318 4.489 4.120 0.085 0.000 0.287 365 V C -2.332 173.808 176.094 0.076 0.000 1.017 365 V CA -1.437 60.940 62.300 0.128 0.000 0.844 365 V CB 1.656 33.548 31.823 0.115 0.000 1.011 365 V HN -0.029 nan 8.190 nan 0.000 0.429 366 P HA 0.200 nan 4.420 nan 0.000 0.274 366 P C -0.392 176.906 177.300 -0.002 0.000 1.237 366 P CA -0.078 63.042 63.100 0.033 0.000 0.793 366 P CB 1.274 32.998 31.700 0.040 0.000 0.977 367 V N 2.751 122.633 119.914 -0.054 0.000 2.432 367 V HA 0.110 4.281 4.120 0.085 0.000 0.271 367 V C 0.881 176.964 176.094 -0.018 0.000 1.046 367 V CA -0.037 62.199 62.300 -0.107 0.000 0.945 367 V CB 0.217 31.884 31.823 -0.261 0.000 0.992 367 V HN 0.545 nan 8.190 nan 0.000 0.471 368 Q N 5.436 125.248 119.800 0.020 0.000 2.288 368 Q HA 0.315 4.706 4.340 0.085 0.000 0.258 368 Q C -0.179 175.813 176.000 -0.014 0.000 0.957 368 Q CA -0.579 55.237 55.803 0.022 0.000 0.919 368 Q CB 0.685 29.447 28.738 0.041 0.000 1.185 368 Q HN 0.644 nan 8.270 nan 0.000 0.408 369 R N 2.895 123.414 120.500 0.031 0.000 2.267 369 R HA 0.147 4.538 4.340 0.085 0.000 0.319 369 R C 0.155 176.469 176.300 0.024 0.000 1.067 369 R CA -0.301 55.843 56.100 0.074 0.000 0.936 369 R CB 0.990 31.431 30.300 0.234 0.000 1.006 369 R HN 0.487 nan 8.270 nan 0.000 0.452 370 V N 1.483 121.260 119.914 -0.229 0.000 3.484 370 V HA 0.300 4.471 4.120 0.085 0.000 0.252 370 V C 0.679 176.458 176.094 -0.525 0.000 1.282 370 V CA 0.915 62.991 62.300 -0.373 0.000 1.104 370 V CB 1.112 32.437 31.823 -0.830 0.000 0.868 370 V HN 1.035 nan 8.190 nan 0.000 0.457 371 G N -0.196 108.096 108.800 -0.847 0.000 2.356 371 G HA2 0.451 4.462 3.960 0.085 0.000 0.294 371 G HA3 0.451 4.462 3.960 0.085 0.000 0.294 371 G C -1.815 172.716 174.900 -0.614 0.000 1.423 371 G CA -0.589 43.871 45.100 -1.067 0.000 0.806 371 G HN 0.019 nan 8.290 nan 0.000 0.527 372 K N -0.322 119.802 120.400 -0.461 0.000 2.378 372 K HA 0.730 5.101 4.320 0.085 0.000 0.252 372 K C -0.802 175.855 176.600 0.095 0.000 0.931 372 K CA -0.844 55.450 56.287 0.011 0.000 0.794 372 K CB 2.053 34.615 32.500 0.103 0.000 1.181 372 K HN 0.630 nan 8.250 nan 0.000 0.425 373 M N 4.639 124.428 119.600 0.314 0.000 2.383 373 M HA 0.416 4.946 4.480 0.085 0.000 0.325 373 M C -1.742 174.546 176.300 -0.020 0.000 1.092 373 M CA -0.767 54.645 55.300 0.186 0.000 0.961 373 M CB 1.731 34.469 32.600 0.231 0.000 1.672 373 M HN 0.358 nan 8.290 nan 0.000 0.438 374 V N 6.205 125.939 119.914 -0.300 0.000 2.487 374 V HA 0.440 4.611 4.120 0.085 0.000 0.298 374 V C -0.568 175.399 176.094 -0.212 0.000 1.028 374 V CA -0.707 61.436 62.300 -0.263 0.000 0.860 374 V CB 1.814 33.348 31.823 -0.482 0.000 0.991 374 V HN 0.815 nan 8.190 nan 0.000 0.427 375 L N 5.582 126.765 121.223 -0.066 0.000 2.255 375 L HA 0.486 4.876 4.340 0.085 0.000 0.289 375 L C 0.481 177.247 176.870 -0.173 0.000 1.046 375 L CA -0.298 54.498 54.840 -0.074 0.000 0.816 375 L CB 0.999 43.064 42.059 0.011 0.000 1.197 375 L HN 0.868 nan 8.230 nan 0.000 0.427 376 N N 2.753 121.258 118.700 -0.325 0.000 2.194 376 N HA 0.129 4.920 4.740 0.085 0.000 0.231 376 N C -0.038 175.254 175.510 -0.364 0.000 1.247 376 N CA -0.377 52.190 53.050 -0.806 0.000 0.884 376 N CB 0.777 38.508 38.487 -1.260 0.000 1.146 376 N HN 0.473 nan 8.380 nan 0.000 0.516 377 R N 0.252 120.665 120.500 -0.144 0.000 2.535 377 R HA 0.298 4.689 4.340 0.085 0.000 0.274 377 R C -1.316 174.936 176.300 -0.080 0.000 1.090 377 R CA -0.542 55.502 56.100 -0.093 0.000 0.930 377 R CB 1.220 31.476 30.300 -0.073 0.000 1.223 377 R HN 0.047 nan 8.270 nan 0.000 0.441 378 N N 3.295 121.831 118.700 -0.274 0.000 2.445 378 N HA 0.311 5.102 4.740 0.085 0.000 0.264 378 N C -2.301 173.139 175.510 -0.117 0.000 1.227 378 N CA -1.259 51.493 53.050 -0.497 0.000 0.963 378 N CB 0.654 38.232 38.487 -1.515 0.000 1.188 378 N HN 0.333 nan 8.380 nan 0.000 0.491 379 P HA 0.119 nan 4.420 nan 0.000 0.273 379 P C 0.114 177.598 177.300 0.307 0.000 1.250 379 P CA -0.113 63.173 63.100 0.309 0.000 0.793 379 P CB 1.019 32.940 31.700 0.369 0.000 1.011 380 D N -0.996 119.559 120.400 0.258 0.000 2.162 380 D HA -0.027 4.664 4.640 0.085 0.000 0.205 380 D C 0.466 176.940 176.300 0.291 0.000 0.964 380 D CA 1.426 55.574 54.000 0.246 0.000 0.847 380 D CB 0.166 41.053 40.800 0.144 0.000 0.988 380 D HN 0.390 nan 8.370 nan 0.000 0.480 381 N N -0.284 118.581 118.700 0.274 0.000 2.461 381 N HA 0.005 4.795 4.740 0.085 0.000 0.284 381 N C 0.002 175.720 175.510 0.346 0.000 1.049 381 N CA -0.338 52.887 53.050 0.291 0.000 0.889 381 N CB 1.513 40.138 38.487 0.230 0.000 1.365 381 N HN -0.167 nan 8.380 nan 0.000 0.499 382 F N 4.361 124.465 119.950 0.256 0.000 2.095 382 F HA -0.153 4.424 4.527 0.084 0.000 0.298 382 F C 1.655 177.596 175.800 0.235 0.000 1.104 382 F CA 1.489 59.643 58.000 0.257 0.000 1.232 382 F CB -0.108 39.018 39.000 0.210 0.000 0.987 382 F HN 0.606 nan 8.300 nan 0.000 0.475 383 F N 0.734 120.922 119.950 0.397 0.000 2.134 383 F HA -0.089 4.490 4.527 0.087 0.000 0.299 383 F C 2.234 178.090 175.800 0.094 0.000 1.097 383 F CA 1.570 59.719 58.000 0.250 0.000 1.264 383 F CB -0.762 38.365 39.000 0.211 0.000 1.001 383 F HN -0.011 nan 8.300 nan 0.000 0.479 384 A N -0.360 122.597 122.820 0.228 0.000 1.968 384 A HA -0.094 4.277 4.320 0.085 0.000 0.217 384 A C 2.049 179.567 177.584 -0.110 0.000 1.169 384 A CA 1.780 53.855 52.037 0.064 0.000 0.638 384 A CB -0.533 18.561 19.000 0.156 0.000 0.812 384 A HN 0.565 nan 8.150 nan 0.000 0.446 385 E N -1.203 118.946 120.200 -0.084 0.000 2.175 385 E HA -0.051 4.350 4.350 0.085 0.000 0.195 385 E C 1.908 178.424 176.600 -0.140 0.000 0.934 385 E CA 0.364 56.656 56.400 -0.182 0.000 0.870 385 E CB -0.120 29.521 29.700 -0.098 0.000 0.838 385 E HN 0.537 nan 8.360 nan 0.000 0.474 386 N N 1.392 119.998 118.700 -0.157 0.000 2.124 386 N HA -0.167 4.624 4.740 0.085 0.000 0.188 386 N C 1.853 177.195 175.510 -0.280 0.000 1.045 386 N CA 1.397 54.301 53.050 -0.243 0.000 0.846 386 N CB 0.037 37.974 38.487 -0.916 0.000 1.020 386 N HN -0.066 nan 8.380 nan 0.000 0.432 387 E N 0.921 120.875 120.200 -0.409 0.000 2.058 387 E HA -0.133 4.268 4.350 0.085 0.000 0.194 387 E C 1.751 178.165 176.600 -0.312 0.000 0.997 387 E CA 1.580 57.811 56.400 -0.281 0.000 0.801 387 E CB -0.236 29.291 29.700 -0.287 0.000 0.746 387 E HN 0.490 nan 8.360 nan 0.000 0.450 388 Q N -0.267 119.272 119.800 -0.435 0.000 2.482 388 Q HA 0.195 4.586 4.340 0.085 0.000 0.209 388 Q C 0.040 175.920 176.000 -0.200 0.000 0.961 388 Q CA 0.229 55.831 55.803 -0.335 0.000 0.945 388 Q CB 0.273 28.789 28.738 -0.371 0.000 1.012 388 Q HN 0.234 nan 8.270 nan 0.000 0.515 389 A N 1.093 123.819 122.820 -0.157 0.000 2.498 389 A HA 0.450 4.821 4.320 0.085 0.000 0.239 389 A C -0.133 177.349 177.584 -0.171 0.000 1.068 389 A CA 0.195 52.120 52.037 -0.185 0.000 0.766 389 A CB 0.280 19.240 19.000 -0.067 0.000 1.003 389 A HN 0.269 nan 8.150 nan 0.000 0.497 390 A N 2.243 124.901 122.820 -0.271 0.000 2.340 390 A HA 0.690 5.060 4.320 0.085 0.000 0.297 390 A C -0.775 176.695 177.584 -0.190 0.000 1.195 390 A CA -0.400 51.552 52.037 -0.142 0.000 0.769 390 A CB 0.254 19.184 19.000 -0.116 0.000 1.163 390 A HN 0.630 nan 8.150 nan 0.000 0.472 391 F N 0.847 120.796 119.950 -0.002 0.000 2.470 391 F HA 0.687 5.259 4.527 0.076 0.000 0.329 391 F C 0.374 176.128 175.800 -0.077 0.000 1.072 391 F CA -0.057 57.915 58.000 -0.047 0.000 0.989 391 F CB 1.986 40.909 39.000 -0.128 0.000 1.193 391 F HN 0.746 nan 8.300 nan 0.000 0.481 392 H N 2.697 121.611 119.070 -0.259 0.000 3.137 392 H HA 0.257 4.851 4.556 0.064 0.000 0.336 392 H C -2.477 172.469 175.328 -0.637 0.000 1.055 392 H CA -1.630 54.022 56.048 -0.660 0.000 1.349 392 H CB 2.607 31.902 29.762 -0.778 0.000 1.939 392 H HN 0.175 nan 8.280 nan 0.000 0.487 393 P HA -0.005 nan 4.420 nan 0.000 0.226 393 P C 1.127 178.306 177.300 -0.202 0.000 1.153 393 P CA 1.326 64.114 63.100 -0.519 0.000 0.777 393 P CB 0.131 31.556 31.700 -0.459 0.000 0.794 394 G N -1.140 107.373 108.800 -0.479 0.000 2.679 394 G HA2 -0.140 3.871 3.960 0.085 0.000 0.212 394 G HA3 -0.140 3.871 3.960 0.085 0.000 0.212 394 G C 0.436 175.577 174.900 0.401 0.000 1.137 394 G CA -0.030 45.161 45.100 0.152 0.000 0.787 394 G HN 0.432 nan 8.290 nan 0.000 0.534 395 H N 0.722 119.922 119.070 0.218 0.000 3.092 395 H HA 0.332 4.944 4.556 0.093 0.000 0.263 395 H C 0.576 176.008 175.328 0.172 0.000 1.611 395 H CA -0.773 55.360 56.048 0.142 0.000 1.457 395 H CB -0.005 29.805 29.762 0.080 0.000 1.731 395 H HN 0.379 nan 8.280 nan 0.000 0.532 396 I N -0.276 120.419 120.570 0.207 0.000 3.217 396 I HA 0.678 4.898 4.170 0.085 0.000 0.308 396 I C -0.149 175.942 176.117 -0.042 0.000 1.091 396 I CA -1.319 60.017 61.300 0.062 0.000 1.013 396 I CB 1.793 39.717 38.000 -0.127 0.000 1.250 396 I HN 0.102 nan 8.210 nan 0.000 0.496 397 V N -2.306 117.563 119.914 -0.075 0.000 3.141 397 V HA 0.682 4.853 4.120 0.085 0.000 0.312 397 V C -2.840 173.349 176.094 0.159 0.000 1.157 397 V CA -2.521 59.802 62.300 0.039 0.000 1.041 397 V CB 0.946 32.776 31.823 0.011 0.000 1.071 397 V HN 0.639 nan 8.190 nan 0.000 0.441 398 P HA 0.403 nan 4.420 nan 0.000 0.265 398 P C 0.880 178.172 177.300 -0.013 0.000 1.193 398 P CA 1.836 64.999 63.100 0.106 0.000 0.765 398 P CB 0.788 32.530 31.700 0.071 0.000 0.823 399 G N 1.605 110.350 108.800 -0.092 0.000 2.238 399 G HA2 -0.161 3.850 3.960 0.085 0.000 0.217 399 G HA3 -0.161 3.850 3.960 0.085 0.000 0.217 399 G C -0.265 174.544 174.900 -0.153 0.000 0.996 399 G CA -0.397 44.631 45.100 -0.119 0.000 0.632 399 G HN 0.446 nan 8.290 nan 0.000 0.503 400 L N 0.193 121.335 121.223 -0.135 0.000 2.323 400 L HA 0.915 5.306 4.340 0.085 0.000 0.265 400 L C -0.534 176.267 176.870 -0.115 0.000 1.012 400 L CA -1.061 53.676 54.840 -0.171 0.000 0.820 400 L CB 2.056 43.933 42.059 -0.303 0.000 1.334 400 L HN 0.101 nan 8.230 nan 0.000 0.427 401 D N -0.424 119.896 120.400 -0.133 0.000 2.639 401 D HA 0.450 5.140 4.640 0.085 0.000 0.271 401 D C -1.251 174.982 176.300 -0.111 0.000 1.254 401 D CA -0.373 53.512 54.000 -0.191 0.000 0.810 401 D CB 1.960 42.720 40.800 -0.066 0.000 1.351 401 D HN 0.123 nan 8.370 nan 0.000 0.427 402 F N -0.109 119.980 119.950 0.232 0.000 2.362 402 F HA 0.473 5.060 4.527 0.100 0.000 0.311 402 F C 1.534 177.371 175.800 0.062 0.000 1.161 402 F CA -0.261 57.813 58.000 0.123 0.000 1.085 402 F CB 1.201 40.242 39.000 0.068 0.000 1.311 402 F HN 0.180 nan 8.300 nan 0.000 0.524 403 T N -3.030 111.635 114.554 0.186 0.000 2.858 403 T HA 0.306 4.707 4.350 0.085 0.000 0.285 403 T C 0.013 174.755 174.700 0.069 0.000 1.052 403 T CA -1.028 61.155 62.100 0.140 0.000 1.009 403 T CB 1.139 70.060 68.868 0.088 0.000 1.241 403 T HN 0.365 nan 8.240 nan 0.000 0.542 404 N N 1.369 120.114 118.700 0.076 0.000 2.421 404 N HA 0.059 4.849 4.740 0.085 0.000 0.201 404 N C -0.033 175.489 175.510 0.021 0.000 1.198 404 N CA 0.040 53.116 53.050 0.042 0.000 0.838 404 N CB -0.423 38.105 38.487 0.069 0.000 1.011 404 N HN 0.678 nan 8.380 nan 0.000 0.463 405 D N 2.012 122.404 120.400 -0.014 0.000 2.520 405 D HA -0.054 4.637 4.640 0.085 0.000 0.243 405 D C -1.523 174.773 176.300 -0.007 0.000 1.160 405 D CA -0.990 53.024 54.000 0.024 0.000 0.877 405 D CB 1.364 42.117 40.800 -0.078 0.000 1.150 405 D HN 0.135 nan 8.370 nan 0.000 0.494 406 P HA -0.040 nan 4.420 nan 0.000 0.245 406 P C 1.379 178.694 177.300 0.025 0.000 1.206 406 P CA -0.004 63.113 63.100 0.027 0.000 0.781 406 P CB 0.459 32.174 31.700 0.026 0.000 0.994 407 L N -0.262 120.992 121.223 0.051 0.000 2.127 407 L HA 0.048 4.439 4.340 0.085 0.000 0.203 407 L C 2.234 179.016 176.870 -0.147 0.000 1.080 407 L CA 1.188 56.051 54.840 0.039 0.000 0.768 407 L CB -1.401 40.765 42.059 0.179 0.000 0.924 407 L HN -0.175 nan 8.230 nan 0.000 0.444 408 L N -0.566 120.391 121.223 -0.443 0.000 2.046 408 L HA -0.189 4.202 4.340 0.085 0.000 0.208 408 L C 2.412 179.026 176.870 -0.427 0.000 1.077 408 L CA 1.741 56.116 54.840 -0.776 0.000 0.747 408 L CB -0.857 40.518 42.059 -1.139 0.000 0.896 408 L HN 0.358 nan 8.230 nan 0.000 0.432 409 Q N -0.229 119.397 119.800 -0.290 0.000 2.135 409 Q HA -0.140 4.250 4.340 0.085 0.000 0.204 409 Q C 2.075 177.992 176.000 -0.138 0.000 0.981 409 Q CA 1.672 57.345 55.803 -0.217 0.000 0.856 409 Q CB -0.646 28.020 28.738 -0.120 0.000 0.902 409 Q HN 0.705 nan 8.270 nan 0.000 0.425 410 G N 0.542 109.290 108.800 -0.087 0.000 2.408 410 G HA2 -0.198 3.812 3.960 0.085 0.000 0.215 410 G HA3 -0.198 3.812 3.960 0.085 0.000 0.215 410 G C 1.512 176.429 174.900 0.029 0.000 1.156 410 G CA 0.137 45.234 45.100 -0.006 0.000 0.793 410 G HN 0.234 nan 8.290 nan 0.000 0.535 411 R N -0.040 120.423 120.500 -0.063 0.000 2.103 411 R HA -0.046 4.345 4.340 0.085 0.000 0.242 411 R C 2.535 178.895 176.300 0.100 0.000 1.142 411 R CA 1.194 57.306 56.100 0.020 0.000 0.960 411 R CB -0.569 29.689 30.300 -0.069 0.000 0.858 411 R HN 0.329 nan 8.270 nan 0.000 0.439 412 L N -0.415 120.770 121.223 -0.063 0.000 2.129 412 L HA -0.228 4.163 4.340 0.085 0.000 0.212 412 L C 2.329 179.332 176.870 0.221 0.000 1.087 412 L CA 1.213 56.029 54.840 -0.039 0.000 0.757 412 L CB -0.463 41.429 42.059 -0.278 0.000 0.896 412 L HN 0.182 nan 8.230 nan 0.000 0.434 413 F N 0.001 119.986 119.950 0.059 0.000 2.163 413 F HA -0.189 4.317 4.527 -0.035 0.000 0.297 413 F C 2.774 178.626 175.800 0.088 0.000 1.094 413 F CA 1.619 59.654 58.000 0.058 0.000 1.290 413 F CB -0.169 38.839 39.000 0.014 0.000 1.017 413 F HN -0.047 nan 8.300 nan 0.000 0.483 414 S N -1.024 114.687 115.700 0.019 0.000 2.377 414 S HA -0.156 4.365 4.470 0.085 0.000 0.223 414 S C 1.954 176.427 174.600 -0.211 0.000 1.030 414 S CA 0.982 59.079 58.200 -0.172 0.000 0.970 414 S CB -0.721 62.416 63.200 -0.106 0.000 0.830 414 S HN 0.508 nan 8.310 nan 0.000 0.473 415 Y N 1.440 121.762 120.300 0.036 0.000 2.509 415 Y HA 0.049 4.683 4.550 0.139 0.000 0.293 415 Y C 2.762 178.367 175.900 -0.492 0.000 1.133 415 Y CA 1.091 59.230 58.100 0.066 0.000 1.283 415 Y CB -0.359 39.029 38.460 1.547 0.000 1.001 415 Y HN 0.268 nan 8.280 nan 0.000 0.555 416 T N -0.822 113.380 114.554 -0.587 0.000 2.894 416 T HA -0.143 4.258 4.350 0.085 0.000 0.258 416 T C 1.404 175.898 174.700 -0.343 0.000 1.043 416 T CA 1.468 63.299 62.100 -0.448 0.000 1.141 416 T CB -0.260 68.401 68.868 -0.345 0.000 0.873 416 T HN 0.342 nan 8.240 nan 0.000 0.449 417 D N 0.865 121.002 120.400 -0.437 0.000 2.097 417 D HA -0.109 4.581 4.640 0.085 0.000 0.195 417 D C 2.262 178.406 176.300 -0.260 0.000 0.989 417 D CA 1.473 55.240 54.000 -0.388 0.000 0.827 417 D CB -0.455 39.942 40.800 -0.671 0.000 0.966 417 D HN 0.206 nan 8.370 nan 0.000 0.456 418 T N -0.982 113.410 114.554 -0.270 0.000 2.849 418 T HA -0.139 4.262 4.350 0.085 0.000 0.270 418 T C 1.610 176.188 174.700 -0.203 0.000 1.066 418 T CA 1.177 63.159 62.100 -0.196 0.000 1.130 418 T CB -0.220 68.530 68.868 -0.196 0.000 0.864 418 T HN 0.149 nan 8.240 nan 0.000 0.481 419 Q N 0.554 120.161 119.800 -0.322 0.000 2.291 419 Q HA 0.033 4.424 4.340 0.085 0.000 0.205 419 Q C 2.259 178.154 176.000 -0.176 0.000 0.970 419 Q CA 0.605 56.167 55.803 -0.402 0.000 0.876 419 Q CB -0.384 27.718 28.738 -1.059 0.000 0.935 419 Q HN 0.516 nan 8.270 nan 0.000 0.455 420 I N 1.135 121.654 120.570 -0.086 0.000 2.264 420 I HA -0.220 4.001 4.170 0.085 0.000 0.248 420 I C 2.292 178.423 176.117 0.023 0.000 1.111 420 I CA 1.730 63.042 61.300 0.021 0.000 1.382 420 I CB -1.377 36.636 38.000 0.022 0.000 1.060 420 I HN 0.187 nan 8.210 nan 0.000 0.418 421 S N 0.334 116.028 115.700 -0.009 0.000 2.427 421 S HA -0.060 4.461 4.470 0.085 0.000 0.224 421 S C 2.159 176.763 174.600 0.007 0.000 1.047 421 S CA 0.136 58.343 58.200 0.011 0.000 0.953 421 S CB -0.370 62.836 63.200 0.010 0.000 0.824 421 S HN 0.301 nan 8.310 nan 0.000 0.502 422 R N 0.952 121.434 120.500 -0.030 0.000 2.081 422 R HA 0.139 4.530 4.340 0.085 0.000 0.235 422 R C 1.450 177.741 176.300 -0.016 0.000 1.131 422 R CA 1.475 57.558 56.100 -0.028 0.000 0.960 422 R CB -0.244 30.014 30.300 -0.069 0.000 0.856 422 R HN 0.450 nan 8.270 nan 0.000 0.436 423 L N -1.153 120.053 121.223 -0.028 0.000 2.808 423 L HA 0.330 4.720 4.340 0.085 0.000 0.246 423 L C 0.867 177.774 176.870 0.062 0.000 1.153 423 L CA 0.331 55.170 54.840 -0.002 0.000 0.956 423 L CB 1.198 43.249 42.059 -0.013 0.000 1.270 423 L HN 0.586 nan 8.230 nan 0.000 0.528 424 G N -0.082 108.777 108.800 0.098 0.000 2.175 424 G HA2 -0.103 3.907 3.960 0.085 0.000 0.244 424 G HA3 -0.103 3.907 3.960 0.085 0.000 0.244 424 G C 0.428 175.474 174.900 0.243 0.000 0.982 424 G CA -0.101 45.113 45.100 0.190 0.000 0.641 424 G HN 0.764 nan 8.290 nan 0.000 0.527 425 G N -1.460 107.469 108.800 0.216 0.000 2.343 425 G HA2 0.602 4.613 3.960 0.085 0.000 0.289 425 G HA3 0.602 4.613 3.960 0.085 0.000 0.289 425 G C -2.301 172.760 174.900 0.269 0.000 1.295 425 G CA 0.426 45.647 45.100 0.202 0.000 0.869 425 G HN 0.464 nan 8.290 nan 0.000 0.522 426 P HA 0.138 nan 4.420 nan 0.000 0.255 426 P C 0.272 177.581 177.300 0.015 0.000 1.248 426 P CA 0.284 63.488 63.100 0.174 0.000 0.807 426 P CB 0.230 31.989 31.700 0.098 0.000 1.150 427 N N 0.564 119.286 118.700 0.036 0.000 2.389 427 N HA 0.058 4.849 4.740 0.085 0.000 0.237 427 N C 0.979 176.334 175.510 -0.257 0.000 1.148 427 N CA -0.154 52.814 53.050 -0.136 0.000 0.854 427 N CB -0.621 37.823 38.487 -0.072 0.000 1.115 427 N HN 0.272 nan 8.380 nan 0.000 0.492 428 F N 0.634 120.583 119.950 -0.001 0.000 2.451 428 F HA -0.059 4.530 4.527 0.103 0.000 0.299 428 F C 2.211 177.957 175.800 -0.090 0.000 1.101 428 F CA 0.691 58.657 58.000 -0.057 0.000 1.436 428 F CB -0.713 38.269 39.000 -0.030 0.000 1.074 428 F HN 0.175 nan 8.300 nan 0.000 0.553 429 H N 0.382 119.068 119.070 -0.640 0.000 2.524 429 H HA 0.064 4.669 4.556 0.082 0.000 0.282 429 H C 0.909 176.092 175.328 -0.242 0.000 1.016 429 H CA 1.340 57.136 56.048 -0.420 0.000 1.270 429 H CB -0.720 28.665 29.762 -0.628 0.000 1.394 429 H HN 0.517 nan 8.280 nan 0.000 0.568 430 E N 0.937 120.715 120.200 -0.702 0.000 2.442 430 E HA 0.164 4.564 4.350 0.085 0.000 0.195 430 E C 0.368 176.849 176.600 -0.198 0.000 1.030 430 E CA -0.265 55.887 56.400 -0.412 0.000 0.869 430 E CB 0.463 29.924 29.700 -0.398 0.000 0.857 430 E HN 0.428 nan 8.360 nan 0.000 0.505 431 I N 2.806 123.280 120.570 -0.160 0.000 2.668 431 I HA -0.058 4.162 4.170 0.085 0.000 0.285 431 I C -1.557 174.498 176.117 -0.104 0.000 1.168 431 I CA -1.337 59.900 61.300 -0.105 0.000 1.424 431 I CB 0.619 38.571 38.000 -0.080 0.000 1.377 431 I HN -0.190 nan 8.210 nan 0.000 0.560 432 P HA -0.233 nan 4.420 nan 0.000 0.216 432 P C 1.723 178.946 177.300 -0.128 0.000 1.154 432 P CA 1.251 64.290 63.100 -0.101 0.000 0.865 432 P CB 0.175 31.822 31.700 -0.089 0.000 0.789 433 I N -0.782 119.685 120.570 -0.171 0.000 2.454 433 I HA -0.172 4.049 4.170 0.085 0.000 0.254 433 I C 1.264 177.307 176.117 -0.125 0.000 1.156 433 I CA 1.642 62.794 61.300 -0.247 0.000 1.433 433 I CB -0.622 37.110 38.000 -0.446 0.000 1.082 433 I HN -0.115 nan 8.210 nan 0.000 0.432 434 N N 0.571 119.215 118.700 -0.093 0.000 2.412 434 N HA 0.060 4.851 4.740 0.085 0.000 0.184 434 N C 0.281 175.798 175.510 0.012 0.000 1.101 434 N CA 0.186 53.211 53.050 -0.042 0.000 0.881 434 N CB -0.039 38.442 38.487 -0.010 0.000 0.969 434 N HN 0.354 nan 8.380 nan 0.000 0.459 435 R N 1.441 121.944 120.500 0.005 0.000 2.537 435 R HA 0.180 4.571 4.340 0.085 0.000 0.280 435 R C -2.219 174.140 176.300 0.098 0.000 1.058 435 R CA -1.192 54.915 56.100 0.012 0.000 1.057 435 R CB 0.054 30.345 30.300 -0.015 0.000 0.973 435 R HN 0.000 nan 8.270 nan 0.000 0.438 436 P HA 0.002 nan 4.420 nan 0.000 0.272 436 P C 0.517 177.884 177.300 0.113 0.000 1.230 436 P CA 0.012 63.189 63.100 0.129 0.000 0.788 436 P CB 0.726 32.463 31.700 0.061 0.000 0.949 437 T N -3.041 111.592 114.554 0.132 0.000 3.044 437 T HA 0.071 4.472 4.350 0.085 0.000 0.250 437 T C 0.866 175.607 174.700 0.068 0.000 1.081 437 T CA 0.008 62.142 62.100 0.056 0.000 1.040 437 T CB -1.021 67.865 68.868 0.029 0.000 0.962 437 T HN 0.558 nan 8.240 nan 0.000 0.506 438 C N 1.005 120.361 119.300 0.093 0.000 2.328 438 C HA 0.807 5.318 4.460 0.085 0.000 0.378 438 C C -2.502 172.545 174.990 0.094 0.000 1.249 438 C CA -2.550 56.521 59.018 0.089 0.000 2.204 438 C CB 0.202 28.000 27.740 0.097 0.000 2.218 438 C HN 0.153 nan 8.230 nan 0.000 0.564 439 P HA 0.331 nan 4.420 nan 0.000 0.269 439 P C -1.263 176.112 177.300 0.124 0.000 1.209 439 P CA 0.378 63.543 63.100 0.110 0.000 0.776 439 P CB 0.002 31.815 31.700 0.188 0.000 0.876 440 Y N 0.316 120.501 120.300 -0.191 0.000 2.401 440 Y HA 0.652 5.256 4.550 0.089 0.000 0.330 440 Y C -1.567 173.996 175.900 -0.562 0.000 1.071 440 Y CA -0.906 57.066 58.100 -0.215 0.000 1.049 440 Y CB 1.376 39.734 38.460 -0.170 0.000 1.239 440 Y HN 0.443 nan 8.280 nan 0.000 0.437 441 H N 3.785 122.768 119.070 -0.146 0.000 3.026 441 H HA 0.518 5.125 4.556 0.086 0.000 0.352 441 H C -1.217 173.998 175.328 -0.189 0.000 1.090 441 H CA -0.771 55.099 56.048 -0.297 0.000 1.268 441 H CB 1.655 31.276 29.762 -0.235 0.000 1.816 441 H HN 0.899 nan 8.280 nan 0.000 0.518 442 N N 0.450 119.047 118.700 -0.171 0.000 3.449 442 N HA 0.198 4.989 4.740 0.085 0.000 0.312 442 N C -1.171 174.105 175.510 -0.389 0.000 1.557 442 N CA -0.930 51.971 53.050 -0.248 0.000 0.864 442 N CB 0.665 39.163 38.487 0.019 0.000 1.799 442 N HN 0.294 nan 8.380 nan 0.000 0.554 443 F N -0.360 119.632 119.950 0.071 0.000 2.641 443 F HA 0.358 4.934 4.527 0.083 0.000 0.302 443 F C 0.424 176.265 175.800 0.068 0.000 1.098 443 F CA -0.353 57.682 58.000 0.058 0.000 1.318 443 F CB 0.200 39.228 39.000 0.047 0.000 1.035 443 F HN 0.144 nan 8.300 nan 0.000 0.551 444 Q N 1.701 121.606 119.800 0.174 0.000 2.332 444 Q HA 0.347 4.737 4.340 0.085 0.000 0.263 444 Q C 0.071 176.143 176.000 0.121 0.000 0.979 444 Q CA 0.124 56.008 55.803 0.134 0.000 0.885 444 Q CB 0.955 29.747 28.738 0.091 0.000 1.218 444 Q HN 0.103 nan 8.270 nan 0.000 0.405 445 R N 1.748 122.314 120.500 0.109 0.000 2.836 445 R HA 0.341 4.732 4.340 0.085 0.000 0.269 445 R C -0.568 175.777 176.300 0.074 0.000 1.010 445 R CA -0.641 55.515 56.100 0.092 0.000 0.930 445 R CB 1.222 31.580 30.300 0.097 0.000 1.218 445 R HN 0.713 nan 8.270 nan 0.000 0.473 446 D N -0.104 120.332 120.400 0.059 0.000 3.369 446 D HA -0.204 4.487 4.640 0.085 0.000 0.217 446 D C 0.394 176.718 176.300 0.039 0.000 1.532 446 D CA 2.034 56.059 54.000 0.041 0.000 1.126 446 D CB -1.077 39.745 40.800 0.037 0.000 0.683 446 D HN 0.898 nan 8.370 nan 0.000 0.827 447 G N -1.304 107.511 108.800 0.026 0.000 2.733 447 G HA2 0.141 4.151 3.960 0.085 0.000 0.686 447 G HA3 0.141 4.151 3.960 0.085 0.000 0.686 447 G C -0.185 174.707 174.900 -0.014 0.000 1.373 447 G CA 0.112 45.223 45.100 0.019 0.000 0.838 447 G HN 0.768 nan 8.290 nan 0.000 0.588 448 M N 1.365 120.935 119.600 -0.050 0.000 2.252 448 M HA 0.426 4.957 4.480 0.085 0.000 0.329 448 M C 1.283 177.498 176.300 -0.141 0.000 1.101 448 M CA 1.405 56.584 55.300 -0.202 0.000 1.117 448 M CB -0.712 31.701 32.600 -0.310 0.000 1.563 448 M HN 1.269 nan 8.290 nan 0.000 0.445 449 H N -0.535 118.538 119.070 0.006 0.000 2.826 449 H HA -0.169 4.436 4.556 0.082 0.000 0.306 449 H C -0.538 174.778 175.328 -0.020 0.000 1.235 449 H CA 0.542 56.588 56.048 -0.004 0.000 1.150 449 H CB -1.546 28.216 29.762 0.000 0.000 1.409 449 H HN 0.554 nan 8.280 nan 0.000 0.420 450 R N 1.295 121.823 120.500 0.046 0.000 2.267 450 R HA 0.190 4.580 4.340 0.085 0.000 0.319 450 R C 0.882 177.194 176.300 0.019 0.000 1.067 450 R CA -0.231 55.885 56.100 0.026 0.000 0.936 450 R CB 0.408 30.721 30.300 0.021 0.000 1.006 450 R HN 0.263 nan 8.270 nan 0.000 0.452 451 M N 2.365 121.964 119.600 -0.002 0.000 2.398 451 M HA 0.233 4.763 4.480 0.085 0.000 0.261 451 M C 0.965 177.259 176.300 -0.010 0.000 1.125 451 M CA 0.986 56.281 55.300 -0.009 0.000 1.183 451 M CB -0.835 31.746 32.600 -0.032 0.000 1.322 451 M HN 0.701 nan 8.290 nan 0.000 0.467 452 G N 1.904 110.698 108.800 -0.009 0.000 2.365 452 G HA2 0.376 4.387 3.960 0.085 0.000 0.249 452 G HA3 0.376 4.387 3.960 0.085 0.000 0.249 452 G C -0.388 174.505 174.900 -0.011 0.000 1.288 452 G CA -0.350 44.740 45.100 -0.017 0.000 0.887 452 G HN 0.319 nan 8.290 nan 0.000 0.524 453 I N 2.842 123.400 120.570 -0.020 0.000 2.307 453 I HA 0.106 4.326 4.170 0.085 0.000 0.287 453 I C -0.271 175.837 176.117 -0.017 0.000 1.054 453 I CA -0.541 60.752 61.300 -0.010 0.000 1.218 453 I CB 0.990 38.985 38.000 -0.008 0.000 1.398 453 I HN 0.360 nan 8.210 nan 0.000 0.475 454 D N 4.652 125.047 120.400 -0.008 0.000 2.351 454 D HA 0.076 4.767 4.640 0.085 0.000 0.251 454 D C 1.155 177.456 176.300 0.001 0.000 1.137 454 D CA 0.239 54.232 54.000 -0.012 0.000 0.879 454 D CB 1.866 42.666 40.800 0.000 0.000 1.181 454 D HN 0.559 nan 8.370 nan 0.000 0.448 455 T N -0.887 113.664 114.554 -0.005 0.000 3.069 455 T HA -0.046 4.355 4.350 0.085 0.000 0.252 455 T C 0.823 175.531 174.700 0.013 0.000 1.053 455 T CA -0.551 61.550 62.100 0.003 0.000 0.964 455 T CB 0.168 69.031 68.868 -0.008 0.000 1.005 455 T HN 0.122 nan 8.240 nan 0.000 0.532 456 N N 3.239 121.949 118.700 0.016 0.000 2.411 456 N HA 0.099 4.890 4.740 0.085 0.000 0.261 456 N C -1.729 173.819 175.510 0.063 0.000 1.248 456 N CA -1.508 51.564 53.050 0.037 0.000 0.885 456 N CB 1.451 39.959 38.487 0.036 0.000 1.062 456 N HN 0.041 nan 8.380 nan 0.000 0.471 457 P HA 0.003 nan 4.420 nan 0.000 0.220 457 P C -0.609 176.751 177.300 0.101 0.000 1.148 457 P CA 0.892 64.037 63.100 0.075 0.000 0.803 457 P CB 0.226 31.966 31.700 0.066 0.000 0.782 458 A N 0.673 123.541 122.820 0.079 0.000 2.312 458 A HA 0.418 4.789 4.320 0.085 0.000 0.326 458 A C 0.364 178.049 177.584 0.168 0.000 1.172 458 A CA -0.645 51.391 52.037 -0.000 0.000 0.821 458 A CB 0.038 18.854 19.000 -0.308 0.000 1.166 458 A HN 0.269 nan 8.150 nan 0.000 0.493 459 N N 0.187 119.023 118.700 0.226 0.000 2.416 459 N HA 0.388 5.179 4.740 0.085 0.000 0.267 459 N C -0.951 174.727 175.510 0.280 0.000 1.294 459 N CA -0.379 52.893 53.050 0.369 0.000 0.891 459 N CB 0.341 38.993 38.487 0.277 0.000 1.238 459 N HN 0.684 nan 8.380 nan 0.000 0.508 460 Y N -1.224 118.961 120.300 -0.193 0.000 2.609 460 Y HA 0.671 5.271 4.550 0.084 0.000 0.336 460 Y C -1.521 173.765 175.900 -1.023 0.000 1.129 460 Y CA -1.354 56.446 58.100 -0.500 0.000 1.040 460 Y CB 0.989 39.319 38.460 -0.216 0.000 1.310 460 Y HN 0.091 nan 8.280 nan 0.000 0.460 461 E N 0.679 120.394 120.200 -0.807 0.000 2.383 461 E HA 0.660 5.060 4.350 0.085 0.000 0.275 461 E C -3.193 173.298 176.600 -0.182 0.000 0.918 461 E CA -2.057 53.975 56.400 -0.614 0.000 0.764 461 E CB 1.619 30.889 29.700 -0.716 0.000 1.252 461 E HN 0.552 nan 8.360 nan 0.000 0.449 462 P HA 0.271 nan 4.420 nan 0.000 0.275 462 P C -1.273 175.979 177.300 -0.079 0.000 1.227 462 P CA -0.391 62.641 63.100 -0.113 0.000 0.781 462 P CB 0.437 32.105 31.700 -0.053 0.000 0.906 463 N N -1.300 117.279 118.700 -0.201 0.000 2.262 463 N HA 0.366 5.157 4.740 0.085 0.000 0.295 463 N C 0.350 175.815 175.510 -0.076 0.000 1.161 463 N CA -0.777 52.168 53.050 -0.175 0.000 0.767 463 N CB 1.431 39.533 38.487 -0.642 0.000 1.499 463 N HN 0.193 nan 8.380 nan 0.000 0.476 464 S N 0.372 116.074 115.700 0.004 0.000 2.497 464 S HA 0.002 4.523 4.470 0.085 0.000 0.218 464 S C 1.494 176.108 174.600 0.023 0.000 1.023 464 S CA 0.044 58.250 58.200 0.009 0.000 0.913 464 S CB -0.785 62.431 63.200 0.027 0.000 0.800 464 S HN 0.705 nan 8.310 nan 0.000 0.505 465 I N -0.926 119.664 120.570 0.034 0.000 2.928 465 I HA 0.298 4.519 4.170 0.085 0.000 0.266 465 I C 1.217 177.365 176.117 0.051 0.000 1.234 465 I CA 0.937 62.269 61.300 0.054 0.000 1.483 465 I CB -0.363 37.690 38.000 0.087 0.000 1.097 465 I HN 0.141 nan 8.210 nan 0.000 0.455 466 N N 1.326 120.051 118.700 0.042 0.000 2.351 466 N HA 0.044 4.835 4.740 0.085 0.000 0.254 466 N C -0.092 175.519 175.510 0.168 0.000 1.241 466 N CA -0.070 53.046 53.050 0.111 0.000 0.883 466 N CB -0.109 38.456 38.487 0.130 0.000 1.202 466 N HN 0.160 nan 8.380 nan 0.000 0.512 467 D N 0.803 121.253 120.400 0.083 0.000 2.737 467 D HA -0.266 4.424 4.640 0.085 0.000 0.233 467 D C -0.014 176.174 176.300 -0.186 0.000 1.155 467 D CA 1.115 55.126 54.000 0.019 0.000 0.667 467 D CB -1.179 39.712 40.800 0.152 0.000 1.060 467 D HN 0.514 nan 8.370 nan 0.000 0.427 468 N N -1.903 116.714 118.700 -0.137 0.000 2.878 468 N HA -0.242 4.549 4.740 0.085 0.000 0.247 468 N C -0.821 174.595 175.510 -0.156 0.000 1.021 468 N CA 1.359 54.292 53.050 -0.195 0.000 0.873 468 N CB -1.346 36.988 38.487 -0.255 0.000 1.128 468 N HN 0.508 nan 8.380 nan 0.000 0.571 469 W N 1.358 122.707 121.300 0.083 0.000 2.313 469 W HA 0.446 5.156 4.660 0.084 0.000 0.328 469 W C -1.697 174.862 176.519 0.067 0.000 1.197 469 W CA -1.560 55.817 57.345 0.052 0.000 1.235 469 W CB 0.620 30.059 29.460 -0.035 0.000 1.158 469 W HN -0.037 nan 8.180 nan 0.000 0.578 470 P HA 0.212 nan 4.420 nan 0.000 0.279 470 P C -0.662 176.767 177.300 0.216 0.000 1.239 470 P CA -0.204 63.036 63.100 0.233 0.000 0.789 470 P CB 1.019 32.702 31.700 -0.028 0.000 0.933 471 R N 1.427 122.035 120.500 0.180 0.000 2.540 471 R HA 0.292 4.683 4.340 0.085 0.000 0.287 471 R C 0.452 176.781 176.300 0.049 0.000 0.980 471 R CA -0.746 55.331 56.100 -0.040 0.000 0.966 471 R CB 0.999 31.055 30.300 -0.407 0.000 1.106 471 R HN 0.494 nan 8.270 nan 0.000 0.480 472 E N 0.652 120.870 120.200 0.031 0.000 2.438 472 E HA 0.009 4.410 4.350 0.085 0.000 0.261 472 E C -0.530 176.092 176.600 0.037 0.000 1.103 472 E CA 0.702 57.132 56.400 0.051 0.000 0.959 472 E CB 0.622 30.342 29.700 0.033 0.000 0.958 472 E HN 0.365 nan 8.360 nan 0.000 0.447 473 T N 3.353 117.941 114.554 0.056 0.000 2.879 473 T HA 0.332 4.733 4.350 0.085 0.000 0.290 473 T C -2.442 172.282 174.700 0.040 0.000 0.993 473 T CA -1.538 60.593 62.100 0.052 0.000 0.975 473 T CB 1.469 70.380 68.868 0.071 0.000 0.981 473 T HN 0.240 nan 8.240 nan 0.000 0.439 474 P HA 0.216 nan 4.420 nan 0.000 0.269 474 P C -2.431 174.875 177.300 0.010 0.000 1.215 474 P CA -1.180 61.928 63.100 0.013 0.000 0.780 474 P CB -0.319 31.384 31.700 0.005 0.000 0.898 475 P HA 0.245 nan 4.420 nan 0.000 0.269 475 P C -0.026 177.261 177.300 -0.021 0.000 1.215 475 P CA 0.412 63.496 63.100 -0.027 0.000 0.780 475 P CB 0.723 32.384 31.700 -0.065 0.000 0.898 476 G N 1.400 110.186 108.800 -0.022 0.000 2.489 476 G HA2 0.388 4.399 3.960 0.085 0.000 0.305 476 G HA3 0.388 4.399 3.960 0.085 0.000 0.305 476 G C -2.539 172.350 174.900 -0.018 0.000 1.311 476 G CA -0.685 44.406 45.100 -0.016 0.000 0.813 476 G HN 0.192 nan 8.290 nan 0.000 0.480 477 P HA 0.103 nan 4.420 nan 0.000 0.225 477 P C 0.197 177.493 177.300 -0.006 0.000 1.156 477 P CA 1.071 64.162 63.100 -0.015 0.000 0.787 477 P CB 0.508 32.202 31.700 -0.010 0.000 0.802 478 K N -0.809 119.594 120.400 0.005 0.000 2.557 478 K HA 0.292 4.663 4.320 0.085 0.000 0.257 478 K C -0.228 176.389 176.600 0.028 0.000 0.933 478 K CA -0.695 55.603 56.287 0.018 0.000 0.820 478 K CB 1.171 33.682 32.500 0.019 0.000 1.330 478 K HN -0.384 nan 8.250 nan 0.000 0.432 479 R N 0.092 120.617 120.500 0.041 0.000 3.758 479 R HA -0.148 4.243 4.340 0.085 0.000 0.299 479 R C -0.120 176.211 176.300 0.052 0.000 1.182 479 R CA 1.093 57.224 56.100 0.052 0.000 0.809 479 R CB -2.325 28.005 30.300 0.051 0.000 1.249 479 R HN 0.841 nan 8.270 nan 0.000 0.497 480 G N -0.777 108.048 108.800 0.042 0.000 2.488 480 G HA2 0.612 4.623 3.960 0.085 0.000 0.318 480 G HA3 0.612 4.623 3.960 0.085 0.000 0.318 480 G C 0.372 175.306 174.900 0.057 0.000 1.188 480 G CA 0.090 45.213 45.100 0.038 0.000 0.944 480 G HN 0.254 nan 8.290 nan 0.000 0.495 481 G N -1.195 107.640 108.800 0.058 0.000 2.539 481 G HA2 0.411 4.422 3.960 0.085 0.000 0.258 481 G HA3 0.411 4.422 3.960 0.085 0.000 0.258 481 G C -0.661 174.294 174.900 0.093 0.000 1.202 481 G CA -0.569 44.588 45.100 0.095 0.000 0.851 481 G HN 0.459 nan 8.290 nan 0.000 0.556 482 F N 0.381 120.346 119.950 0.024 0.000 2.456 482 F HA 0.375 4.956 4.527 0.090 0.000 0.358 482 F C 0.572 176.386 175.800 0.023 0.000 1.095 482 F CA -0.155 57.854 58.000 0.016 0.000 1.216 482 F CB 0.867 39.880 39.000 0.020 0.000 1.125 482 F HN 0.452 nan 8.300 nan 0.000 0.549 483 E N 3.900 123.732 120.200 -0.614 0.000 2.248 483 E HA 0.325 4.725 4.350 0.085 0.000 0.267 483 E C -1.131 175.107 176.600 -0.603 0.000 0.877 483 E CA -0.831 55.349 56.400 -0.366 0.000 0.759 483 E CB 1.597 31.181 29.700 -0.193 0.000 1.182 483 E HN 0.608 nan 8.360 nan 0.000 0.418 484 S N 2.526 118.117 115.700 -0.181 0.000 2.562 484 S HA -0.003 4.518 4.470 0.085 0.000 0.281 484 S C -0.578 174.006 174.600 -0.027 0.000 1.333 484 S CA -0.313 57.870 58.200 -0.029 0.000 1.052 484 S CB 0.096 63.404 63.200 0.180 0.000 0.884 484 S HN 0.457 nan 8.310 nan 0.000 0.506 485 Y N 2.832 123.061 120.300 -0.117 0.000 2.721 485 Y HA -0.034 4.566 4.550 0.083 0.000 0.329 485 Y C 0.957 176.836 175.900 -0.034 0.000 1.211 485 Y CA 0.079 58.125 58.100 -0.090 0.000 1.512 485 Y CB 0.118 38.525 38.460 -0.090 0.000 1.249 485 Y HN 0.598 nan 8.280 nan 0.000 0.549 486 Q N 5.072 124.500 119.800 -0.619 0.000 3.141 486 Q HA -0.008 4.383 4.340 0.085 0.000 0.304 486 Q C -0.073 175.620 176.000 -0.513 0.000 1.305 486 Q CA 0.009 55.548 55.803 -0.440 0.000 0.929 486 Q CB -0.292 28.269 28.738 -0.296 0.000 1.701 486 Q HN 0.650 nan 8.270 nan 0.000 0.483 487 E N 1.372 121.335 120.200 -0.396 0.000 2.413 487 E HA -0.008 4.392 4.350 0.085 0.000 0.263 487 E C -0.220 176.336 176.600 -0.073 0.000 1.015 487 E CA -0.456 55.846 56.400 -0.163 0.000 0.916 487 E CB 0.654 30.408 29.700 0.090 0.000 0.947 487 E HN 0.098 nan 8.360 nan 0.000 0.440 488 R N 2.960 123.443 120.500 -0.029 0.000 2.389 488 R HA 0.232 4.623 4.340 0.085 0.000 0.295 488 R C -1.468 174.851 176.300 0.031 0.000 1.075 488 R CA -0.248 55.849 56.100 -0.004 0.000 1.005 488 R CB 0.932 31.240 30.300 0.012 0.000 0.987 488 R HN 0.303 nan 8.270 nan 0.000 0.452 489 V N 4.909 124.836 119.914 0.022 0.000 2.448 489 V HA 0.428 4.599 4.120 0.085 0.000 0.295 489 V C -0.523 175.583 176.094 0.021 0.000 1.025 489 V CA -0.583 61.735 62.300 0.030 0.000 0.859 489 V CB 1.627 33.466 31.823 0.026 0.000 0.988 489 V HN 0.812 nan 8.190 nan 0.000 0.431 490 E N 2.895 123.110 120.200 0.024 0.000 2.281 490 E HA 0.692 5.093 4.350 0.085 0.000 0.266 490 E C -0.132 176.474 176.600 0.010 0.000 0.893 490 E CA -0.410 55.998 56.400 0.014 0.000 0.798 490 E CB 2.365 32.074 29.700 0.014 0.000 1.245 490 E HN 0.967 nan 8.360 nan 0.000 0.410 491 G N 2.416 111.217 108.800 0.002 0.000 2.322 491 G HA2 0.168 4.178 3.960 0.085 0.000 0.295 491 G HA3 0.168 4.178 3.960 0.085 0.000 0.295 491 G C -1.498 173.397 174.900 -0.009 0.000 1.369 491 G CA -0.987 44.110 45.100 -0.004 0.000 0.821 491 G HN 0.343 nan 8.290 nan 0.000 0.536 492 N N -0.014 118.678 118.700 -0.014 0.000 2.489 492 N HA 0.453 5.244 4.740 0.085 0.000 0.284 492 N C -0.296 175.201 175.510 -0.021 0.000 1.158 492 N CA -0.594 52.446 53.050 -0.016 0.000 0.965 492 N CB 1.104 39.581 38.487 -0.017 0.000 1.195 492 N HN 0.415 nan 8.380 nan 0.000 0.506 493 K N 1.032 121.419 120.400 -0.021 0.000 2.336 493 K HA 0.205 4.576 4.320 0.085 0.000 0.290 493 K C -0.690 175.890 176.600 -0.033 0.000 1.067 493 K CA -0.179 56.092 56.287 -0.026 0.000 0.962 493 K CB -0.253 32.233 32.500 -0.023 0.000 1.008 493 K HN 0.364 nan 8.250 nan 0.000 0.467 494 V N 0.213 120.102 119.914 -0.042 0.000 3.007 494 V HA 0.470 4.641 4.120 0.085 0.000 0.311 494 V C -0.493 175.562 176.094 -0.065 0.000 1.120 494 V CA -1.387 60.883 62.300 -0.049 0.000 0.980 494 V CB 2.036 33.831 31.823 -0.048 0.000 1.033 494 V HN 0.614 nan 8.190 nan 0.000 0.429 495 R N 2.205 122.661 120.500 -0.072 0.000 2.565 495 R HA 0.576 4.966 4.340 0.085 0.000 0.286 495 R C -0.411 175.838 176.300 -0.085 0.000 1.256 495 R CA -0.088 55.956 56.100 -0.094 0.000 1.238 495 R CB 0.554 30.784 30.300 -0.118 0.000 1.153 495 R HN 0.929 nan 8.270 nan 0.000 0.553 496 E N 1.795 121.942 120.200 -0.088 0.000 2.335 496 E HA 0.230 4.631 4.350 0.085 0.000 0.280 496 E C -1.305 175.226 176.600 -0.115 0.000 0.918 496 E CA -1.029 55.322 56.400 -0.081 0.000 0.765 496 E CB 1.595 31.253 29.700 -0.069 0.000 1.218 496 E HN 0.098 nan 8.360 nan 0.000 0.425 497 R N 1.787 122.222 120.500 -0.109 0.000 2.340 497 R HA 0.229 4.620 4.340 0.085 0.000 0.300 497 R C -0.500 175.677 176.300 -0.206 0.000 1.069 497 R CA 0.060 56.054 56.100 -0.177 0.000 0.984 497 R CB 1.193 31.451 30.300 -0.071 0.000 1.003 497 R HN 0.420 nan 8.270 nan 0.000 0.459 498 S N 4.873 120.340 115.700 -0.389 0.000 2.552 498 S HA 0.067 4.587 4.470 0.085 0.000 0.289 498 S C -1.518 173.041 174.600 -0.067 0.000 1.304 498 S CA -1.087 56.969 58.200 -0.239 0.000 1.063 498 S CB 0.597 63.595 63.200 -0.336 0.000 0.848 498 S HN 0.543 nan 8.310 nan 0.000 0.499 499 P HA -0.073 nan 4.420 nan 0.000 0.220 499 P C 1.531 178.877 177.300 0.076 0.000 1.148 499 P CA 1.084 64.200 63.100 0.026 0.000 0.803 499 P CB -0.148 31.558 31.700 0.011 0.000 0.782 500 S N -1.768 114.013 115.700 0.135 0.000 2.469 500 S HA -0.134 4.386 4.470 0.085 0.000 0.238 500 S C 1.418 176.185 174.600 0.279 0.000 0.998 500 S CA 0.969 59.288 58.200 0.199 0.000 0.957 500 S CB -1.394 61.958 63.200 0.253 0.000 0.764 500 S HN -0.024 nan 8.310 nan 0.000 0.514 501 F N 2.093 122.033 119.950 -0.017 0.000 2.765 501 F HA 0.404 4.979 4.527 0.081 0.000 0.302 501 F C 1.970 177.704 175.800 -0.110 0.000 1.111 501 F CA -0.914 57.072 58.000 -0.023 0.000 1.359 501 F CB -0.587 38.433 39.000 0.033 0.000 1.097 501 F HN 0.353 nan 8.300 nan 0.000 0.577 502 G N 0.270 109.064 108.800 -0.010 0.000 3.530 502 G HA2 0.057 4.068 3.960 0.085 0.000 0.269 502 G HA3 0.057 4.068 3.960 0.085 0.000 0.269 502 G C 0.034 174.461 174.900 -0.789 0.000 1.314 502 G CA 0.111 45.012 45.100 -0.330 0.000 1.441 502 G HN 0.036 nan 8.290 nan 0.000 0.595 503 E N 0.100 119.808 120.200 -0.819 0.000 2.241 503 E HA 0.347 4.748 4.350 0.085 0.000 0.263 503 E C -0.850 175.352 176.600 -0.664 0.000 0.882 503 E CA -0.780 55.220 56.400 -0.667 0.000 0.769 503 E CB 1.516 31.071 29.700 -0.243 0.000 1.185 503 E HN 0.224 nan 8.360 nan 0.000 0.415 504 Y N 2.671 122.759 120.300 -0.352 0.000 2.471 504 Y HA 0.190 4.791 4.550 0.085 0.000 0.249 504 Y C 0.690 176.326 175.900 -0.441 0.000 1.116 504 Y CA -0.136 57.671 58.100 -0.489 0.000 1.240 504 Y CB 0.418 38.429 38.460 -0.747 0.000 1.251 504 Y HN 0.434 nan 8.280 nan 0.000 0.527 505 Y N -1.231 119.158 120.300 0.148 0.000 2.483 505 Y HA 0.086 4.688 4.550 0.086 0.000 0.258 505 Y C 2.381 178.346 175.900 0.107 0.000 1.083 505 Y CA 0.205 58.386 58.100 0.135 0.000 1.283 505 Y CB -0.221 38.324 38.460 0.142 0.000 1.178 505 Y HN 0.064 nan 8.280 nan 0.000 0.515 506 S N -1.031 114.803 115.700 0.224 0.000 2.414 506 S HA -0.151 4.370 4.470 0.085 0.000 0.227 506 S C 1.413 176.094 174.600 0.136 0.000 1.022 506 S CA 1.335 59.650 58.200 0.192 0.000 0.958 506 S CB -0.503 62.815 63.200 0.196 0.000 0.797 506 S HN 0.396 nan 8.310 nan 0.000 0.493 507 H N 2.828 121.815 119.070 -0.138 0.000 2.363 507 H HA 0.201 4.808 4.556 0.085 0.000 0.301 507 H C -0.736 174.396 175.328 -0.327 0.000 1.074 507 H CA 1.092 56.915 56.048 -0.374 0.000 1.354 507 H CB -1.658 27.652 29.762 -0.752 0.000 1.397 507 H HN 0.390 nan 8.280 nan 0.000 0.516 508 P HA -0.148 nan 4.420 nan 0.000 0.216 508 P C 1.477 178.964 177.300 0.312 0.000 1.150 508 P CA 1.591 64.842 63.100 0.251 0.000 0.837 508 P CB 0.114 31.990 31.700 0.293 0.000 0.786 509 R N -0.409 120.224 120.500 0.222 0.000 2.092 509 R HA -0.097 4.294 4.340 0.085 0.000 0.231 509 R C 2.126 178.558 176.300 0.220 0.000 1.119 509 R CA 0.941 57.181 56.100 0.233 0.000 0.970 509 R CB -0.988 29.411 30.300 0.164 0.000 0.864 509 R HN 0.060 nan 8.270 nan 0.000 0.440 510 L N 0.493 121.786 121.223 0.117 0.000 2.046 510 L HA -0.134 4.257 4.340 0.085 0.000 0.208 510 L C 1.967 178.890 176.870 0.088 0.000 1.077 510 L CA 1.728 56.599 54.840 0.052 0.000 0.747 510 L CB -0.742 41.273 42.059 -0.074 0.000 0.896 510 L HN 0.231 nan 8.230 nan 0.000 0.432 511 F N -0.724 119.255 119.950 0.050 0.000 2.095 511 F HA -0.282 4.297 4.527 0.087 0.000 0.298 511 F C 2.302 178.099 175.800 -0.005 0.000 1.104 511 F CA 2.196 60.203 58.000 0.011 0.000 1.232 511 F CB -0.625 38.421 39.000 0.077 0.000 0.987 511 F HN 0.403 nan 8.300 nan 0.000 0.475 512 W N 1.308 122.591 121.300 -0.027 0.000 2.355 512 W HA -0.217 4.494 4.660 0.084 0.000 0.309 512 W C 1.736 178.135 176.519 -0.200 0.000 1.206 512 W CA 1.628 58.916 57.345 -0.095 0.000 1.284 512 W CB -0.748 28.747 29.460 0.058 0.000 1.145 512 W HN 0.065 nan 8.180 nan 0.000 0.502 513 L N 1.253 122.396 121.223 -0.134 0.000 2.362 513 L HA -0.165 4.226 4.340 0.085 0.000 0.219 513 L C 2.259 178.937 176.870 -0.321 0.000 1.134 513 L CA 1.112 55.809 54.840 -0.238 0.000 0.807 513 L CB -0.616 41.427 42.059 -0.026 0.000 0.927 513 L HN -0.113 nan 8.230 nan 0.000 0.447 514 S N -1.566 113.918 115.700 -0.360 0.000 2.548 514 S HA 0.064 4.585 4.470 0.085 0.000 0.215 514 S C 0.699 175.010 174.600 -0.481 0.000 0.976 514 S CA -0.056 57.934 58.200 -0.350 0.000 0.908 514 S CB 0.080 63.103 63.200 -0.294 0.000 0.781 514 S HN 0.290 nan 8.310 nan 0.000 0.519 515 Q N 2.265 121.675 119.800 -0.651 0.000 2.306 515 Q HA 0.265 4.656 4.340 0.085 0.000 0.241 515 Q C 0.687 176.303 176.000 -0.640 0.000 0.948 515 Q CA -0.047 55.339 55.803 -0.696 0.000 0.886 515 Q CB 0.287 28.545 28.738 -0.800 0.000 1.227 515 Q HN 0.430 nan 8.270 nan 0.000 0.457 516 T N -1.953 112.180 114.554 -0.702 0.000 2.766 516 T HA 0.152 4.553 4.350 0.085 0.000 0.295 516 T C -1.766 172.476 174.700 -0.764 0.000 1.024 516 T CA -1.279 60.363 62.100 -0.763 0.000 1.018 516 T CB 0.313 68.449 68.868 -1.219 0.000 1.002 516 T HN 0.227 nan 8.240 nan 0.000 0.532 517 P HA 0.011 nan 4.420 nan 0.000 0.217 517 P C 1.374 178.460 177.300 -0.357 0.000 1.150 517 P CA 0.870 63.744 63.100 -0.377 0.000 0.832 517 P CB -0.232 31.366 31.700 -0.170 0.000 0.787 518 F N 0.047 119.798 119.950 -0.331 0.000 2.186 518 F HA -0.011 4.567 4.527 0.085 0.000 0.299 518 F C 1.807 177.241 175.800 -0.611 0.000 1.090 518 F CA 0.993 58.720 58.000 -0.454 0.000 1.307 518 F CB -1.643 37.077 39.000 -0.467 0.000 1.019 518 F HN -0.106 nan 8.300 nan 0.000 0.489 519 E N 0.481 120.115 120.200 -0.943 0.000 2.106 519 E HA -0.204 4.197 4.350 0.085 0.000 0.192 519 E C 2.221 178.623 176.600 -0.331 0.000 0.984 519 E CA 1.324 57.405 56.400 -0.532 0.000 0.806 519 E CB -0.301 29.046 29.700 -0.587 0.000 0.750 519 E HN 0.627 nan 8.360 nan 0.000 0.458 520 Q N 0.371 119.888 119.800 -0.471 0.000 2.096 520 Q HA -0.197 4.194 4.340 0.085 0.000 0.204 520 Q C 2.260 178.292 176.000 0.052 0.000 0.982 520 Q CA 1.209 56.772 55.803 -0.400 0.000 0.850 520 Q CB -0.159 28.098 28.738 -0.803 0.000 0.901 520 Q HN 0.131 nan 8.270 nan 0.000 0.422 521 R N -0.022 120.477 120.500 -0.003 0.000 2.081 521 R HA -0.169 4.221 4.340 0.085 0.000 0.235 521 R C 1.858 178.328 176.300 0.284 0.000 1.131 521 R CA 1.649 57.834 56.100 0.141 0.000 0.960 521 R CB -0.113 30.236 30.300 0.082 0.000 0.856 521 R HN 0.479 nan 8.270 nan 0.000 0.436 522 H N -0.543 118.621 119.070 0.156 0.000 2.389 522 H HA -0.077 4.530 4.556 0.084 0.000 0.299 522 H C 2.184 177.629 175.328 0.195 0.000 1.081 522 H CA 1.292 57.447 56.048 0.178 0.000 1.345 522 H CB 0.029 29.901 29.762 0.185 0.000 1.393 522 H HN 0.217 nan 8.280 nan 0.000 0.520 523 I N 0.244 121.031 120.570 0.362 0.000 2.179 523 I HA -0.264 3.956 4.170 0.085 0.000 0.242 523 I C 2.318 178.721 176.117 0.476 0.000 1.088 523 I CA 0.803 62.351 61.300 0.413 0.000 1.357 523 I CB -0.181 38.163 38.000 0.573 0.000 1.051 523 I HN 0.084 nan 8.210 nan 0.000 0.409 524 V N 0.864 121.049 119.914 0.453 0.000 2.287 524 V HA -0.325 3.846 4.120 0.085 0.000 0.248 524 V C 2.026 178.296 176.094 0.292 0.000 1.053 524 V CA 2.141 64.655 62.300 0.357 0.000 1.027 524 V CB -0.660 31.333 31.823 0.283 0.000 0.646 524 V HN 0.421 nan 8.190 nan 0.000 0.447 525 D N 0.262 120.820 120.400 0.263 0.000 2.178 525 D HA -0.075 4.616 4.640 0.085 0.000 0.202 525 D C 2.143 178.528 176.300 0.142 0.000 0.974 525 D CA 1.440 55.563 54.000 0.205 0.000 0.841 525 D CB -0.469 40.459 40.800 0.212 0.000 0.953 525 D HN 0.486 nan 8.370 nan 0.000 0.478 526 G N -0.002 108.861 108.800 0.104 0.000 2.414 526 G HA2 -0.222 3.789 3.960 0.085 0.000 0.215 526 G HA3 -0.222 3.789 3.960 0.085 0.000 0.215 526 G C 1.437 176.352 174.900 0.024 0.000 1.188 526 G CA 0.077 45.146 45.100 -0.051 0.000 0.783 526 G HN 0.155 nan 8.290 nan 0.000 0.537 527 F N 1.931 121.924 119.950 0.072 0.000 2.126 527 F HA -0.100 4.478 4.527 0.085 0.000 0.299 527 F C 3.167 178.894 175.800 -0.121 0.000 1.096 527 F CA 1.648 59.627 58.000 -0.034 0.000 1.255 527 F CB -0.365 38.621 39.000 -0.024 0.000 0.997 527 F HN 0.083 nan 8.300 nan 0.000 0.479 528 S N -0.147 115.657 115.700 0.173 0.000 2.356 528 S HA -0.219 4.301 4.470 0.085 0.000 0.223 528 S C 1.873 176.495 174.600 0.037 0.000 1.032 528 S CA 1.345 59.588 58.200 0.072 0.000 1.005 528 S CB -0.801 62.462 63.200 0.105 0.000 0.867 528 S HN 0.402 nan 8.310 nan 0.000 0.449 529 F N 2.597 122.510 119.950 -0.061 0.000 2.102 529 F HA -0.109 4.468 4.527 0.083 0.000 0.298 529 F C 2.338 178.079 175.800 -0.099 0.000 1.105 529 F CA 1.519 59.472 58.000 -0.078 0.000 1.239 529 F CB -0.336 38.564 39.000 -0.167 0.000 0.991 529 F HN 0.132 nan 8.300 nan 0.000 0.474 530 E N 0.544 120.755 120.200 0.018 0.000 2.058 530 E HA -0.226 4.175 4.350 0.085 0.000 0.194 530 E C 2.345 178.764 176.600 -0.301 0.000 0.997 530 E CA 1.751 58.123 56.400 -0.047 0.000 0.801 530 E CB -0.547 29.262 29.700 0.181 0.000 0.746 530 E HN 0.477 nan 8.360 nan 0.000 0.450 531 L N 1.269 122.232 121.223 -0.433 0.000 2.291 531 L HA -0.095 4.295 4.340 0.085 0.000 0.214 531 L C 2.663 179.367 176.870 -0.277 0.000 1.120 531 L CA 0.876 55.424 54.840 -0.488 0.000 0.799 531 L CB -0.342 41.443 42.059 -0.455 0.000 0.925 531 L HN 0.131 nan 8.230 nan 0.000 0.446 532 S N -0.394 115.157 115.700 -0.248 0.000 2.447 532 S HA -0.154 4.367 4.470 0.085 0.000 0.233 532 S C 1.712 176.192 174.600 -0.199 0.000 1.006 532 S CA 0.724 58.803 58.200 -0.202 0.000 0.957 532 S CB -0.187 62.891 63.200 -0.204 0.000 0.773 532 S HN 0.411 nan 8.310 nan 0.000 0.507 533 K N 0.705 120.967 120.400 -0.231 0.000 2.404 533 K HA 0.283 4.654 4.320 0.085 0.000 0.194 533 K C -0.472 176.120 176.600 -0.013 0.000 1.023 533 K CA -0.088 56.124 56.287 -0.126 0.000 1.094 533 K CB 0.497 32.926 32.500 -0.117 0.000 0.841 533 K HN 0.221 nan 8.250 nan 0.000 0.523 534 V N 1.744 121.629 119.914 -0.048 0.000 2.461 534 V HA -0.014 4.157 4.120 0.085 0.000 0.275 534 V C 1.365 177.446 176.094 -0.022 0.000 1.047 534 V CA -0.050 62.251 62.300 0.002 0.000 0.955 534 V CB 1.538 33.323 31.823 -0.062 0.000 0.988 534 V HN -0.038 nan 8.190 nan 0.000 0.471 535 V N 5.018 124.941 119.914 0.015 0.000 2.488 535 V HA 0.015 4.186 4.120 0.085 0.000 0.246 535 V C 1.300 177.382 176.094 -0.020 0.000 1.046 535 V CA 1.055 63.360 62.300 0.008 0.000 1.053 535 V CB -0.416 31.430 31.823 0.038 0.000 0.679 535 V HN 0.739 nan 8.190 nan 0.000 0.458 536 R N 1.031 121.497 120.500 -0.057 0.000 2.242 536 R HA 0.165 4.556 4.340 0.085 0.000 0.334 536 R C -1.757 174.431 176.300 -0.186 0.000 1.071 536 R CA -1.289 54.751 56.100 -0.100 0.000 0.922 536 R CB 0.667 30.843 30.300 -0.206 0.000 1.023 536 R HN 0.260 nan 8.270 nan 0.000 0.458 537 P HA -0.154 nan 4.420 nan 0.000 0.221 537 P C 0.604 177.863 177.300 -0.068 0.000 1.150 537 P CA 0.855 63.921 63.100 -0.057 0.000 0.800 537 P CB 0.029 31.733 31.700 0.006 0.000 0.787 538 Y N -1.184 119.115 120.300 -0.002 0.000 2.315 538 Y HA -0.115 4.485 4.550 0.084 0.000 0.288 538 Y C 1.858 177.761 175.900 0.006 0.000 1.154 538 Y CA 0.759 58.858 58.100 -0.001 0.000 1.229 538 Y CB -1.784 36.676 38.460 0.000 0.000 0.980 538 Y HN -0.112 nan 8.280 nan 0.000 0.540 539 I N 0.944 121.086 120.570 -0.715 0.000 2.252 539 I HA -0.244 3.977 4.170 0.085 0.000 0.245 539 I C 2.491 178.511 176.117 -0.161 0.000 1.102 539 I CA 1.374 62.426 61.300 -0.412 0.000 1.385 539 I CB -0.367 37.384 38.000 -0.415 0.000 1.064 539 I HN 0.191 nan 8.210 nan 0.000 0.414 540 R N 0.828 121.225 120.500 -0.170 0.000 2.091 540 R HA -0.192 4.199 4.340 0.085 0.000 0.238 540 R C 2.083 178.328 176.300 -0.091 0.000 1.136 540 R CA 1.508 57.522 56.100 -0.144 0.000 0.959 540 R CB -0.446 29.767 30.300 -0.145 0.000 0.856 540 R HN 0.454 nan 8.270 nan 0.000 0.437 541 E N 0.434 120.604 120.200 -0.050 0.000 2.106 541 E HA -0.129 4.272 4.350 0.085 0.000 0.192 541 E C 2.121 178.724 176.600 0.004 0.000 0.984 541 E CA 0.872 57.263 56.400 -0.014 0.000 0.806 541 E CB 0.017 29.733 29.700 0.027 0.000 0.750 541 E HN 0.272 nan 8.360 nan 0.000 0.458 542 R N 0.270 120.787 120.500 0.027 0.000 2.092 542 R HA -0.083 4.308 4.340 0.085 0.000 0.231 542 R C 2.358 178.678 176.300 0.034 0.000 1.119 542 R CA 0.913 57.042 56.100 0.048 0.000 0.970 542 R CB -0.152 30.197 30.300 0.082 0.000 0.864 542 R HN 0.058 nan 8.270 nan 0.000 0.440 543 V N 0.272 120.199 119.914 0.022 0.000 2.307 543 V HA -0.199 3.972 4.120 0.085 0.000 0.245 543 V C 2.306 178.374 176.094 -0.042 0.000 1.045 543 V CA 1.495 63.817 62.300 0.036 0.000 1.024 543 V CB -0.339 31.527 31.823 0.072 0.000 0.651 543 V HN 0.106 nan 8.190 nan 0.000 0.449 544 V N 0.634 120.497 119.914 -0.085 0.000 2.392 544 V HA -0.339 3.832 4.120 0.085 0.000 0.249 544 V C 2.331 178.381 176.094 -0.073 0.000 1.059 544 V CA 2.511 64.740 62.300 -0.118 0.000 1.051 544 V CB -0.733 31.027 31.823 -0.106 0.000 0.658 544 V HN 0.658 nan 8.190 nan 0.000 0.455 545 D N -0.805 119.584 120.400 -0.018 0.000 2.123 545 D HA -0.196 4.495 4.640 0.085 0.000 0.196 545 D C 2.284 178.654 176.300 0.117 0.000 0.992 545 D CA 1.212 55.236 54.000 0.040 0.000 0.833 545 D CB -0.029 40.813 40.800 0.069 0.000 0.954 545 D HN 0.347 nan 8.370 nan 0.000 0.455 546 Q N -0.216 119.622 119.800 0.063 0.000 2.119 546 Q HA -0.073 4.318 4.340 0.085 0.000 0.201 546 Q C 2.582 178.600 176.000 0.030 0.000 0.972 546 Q CA 0.577 56.423 55.803 0.071 0.000 0.847 546 Q CB -0.297 28.500 28.738 0.097 0.000 0.903 546 Q HN 0.456 nan 8.270 nan 0.000 0.433 547 L N 0.159 121.336 121.223 -0.075 0.000 2.079 547 L HA -0.172 4.219 4.340 0.085 0.000 0.210 547 L C 2.320 179.075 176.870 -0.192 0.000 1.081 547 L CA 1.143 55.861 54.840 -0.204 0.000 0.752 547 L CB -0.685 41.149 42.059 -0.376 0.000 0.896 547 L HN 0.111 nan 8.230 nan 0.000 0.433 548 A N -0.959 121.774 122.820 -0.145 0.000 2.121 548 A HA -0.181 4.190 4.320 0.085 0.000 0.218 548 A C 1.741 179.155 177.584 -0.283 0.000 1.154 548 A CA 1.038 52.955 52.037 -0.200 0.000 0.679 548 A CB -0.718 18.171 19.000 -0.186 0.000 0.795 548 A HN 0.438 nan 8.150 nan 0.000 0.458 549 H N -0.974 117.889 119.070 -0.346 0.000 2.547 549 H HA 0.187 4.794 4.556 0.086 0.000 0.272 549 H C 1.564 176.627 175.328 -0.442 0.000 0.989 549 H CA 1.248 56.959 56.048 -0.562 0.000 1.214 549 H CB 0.022 29.041 29.762 -1.239 0.000 1.389 549 H HN 0.522 nan 8.280 nan 0.000 0.577 550 I N -1.314 119.155 120.570 -0.168 0.000 2.900 550 I HA 0.092 4.313 4.170 0.085 0.000 0.251 550 I C -0.112 175.934 176.117 -0.118 0.000 1.102 550 I CA 0.375 61.643 61.300 -0.054 0.000 1.457 550 I CB 0.656 38.654 38.000 -0.004 0.000 1.285 550 I HN 0.088 nan 8.210 nan 0.000 0.459 551 D N -0.397 119.860 120.400 -0.238 0.000 2.937 551 D HA 0.164 4.855 4.640 0.085 0.000 0.215 551 D C 0.201 176.340 176.300 -0.268 0.000 1.274 551 D CA -0.405 53.445 54.000 -0.251 0.000 0.869 551 D CB 1.568 42.093 40.800 -0.457 0.000 1.675 551 D HN -0.019 nan 8.370 nan 0.000 0.538 552 L N 2.944 124.067 121.223 -0.166 0.000 2.093 552 L HA -0.059 4.331 4.340 0.085 0.000 0.208 552 L C 1.249 178.043 176.870 -0.128 0.000 1.085 552 L CA 1.759 56.512 54.840 -0.144 0.000 0.755 552 L CB -0.493 41.510 42.059 -0.094 0.000 0.904 552 L HN 0.584 nan 8.230 nan 0.000 0.435 553 T N 0.881 115.388 114.554 -0.078 0.000 2.708 553 T HA -0.216 4.185 4.350 0.085 0.000 0.266 553 T C 1.828 176.474 174.700 -0.089 0.000 1.037 553 T CA 1.656 63.752 62.100 -0.006 0.000 1.146 553 T CB -0.343 68.614 68.868 0.148 0.000 0.865 553 T HN 0.299 nan 8.240 nan 0.000 0.435 554 L N 1.670 122.679 121.223 -0.357 0.000 1.989 554 L HA -0.002 4.389 4.340 0.085 0.000 0.211 554 L C 2.594 179.244 176.870 -0.366 0.000 1.071 554 L CA 2.168 56.645 54.840 -0.605 0.000 0.749 554 L CB -1.140 40.141 42.059 -1.297 0.000 0.890 554 L HN 0.214 nan 8.230 nan 0.000 0.431 555 A N -1.178 121.439 122.820 -0.338 0.000 1.902 555 A HA -0.251 4.119 4.320 0.085 0.000 0.217 555 A C 2.236 179.720 177.584 -0.167 0.000 1.181 555 A CA 1.832 53.714 52.037 -0.259 0.000 0.623 555 A CB -0.654 18.212 19.000 -0.223 0.000 0.818 555 A HN 0.687 nan 8.150 nan 0.000 0.443 556 Q N -0.837 118.887 119.800 -0.125 0.000 2.124 556 Q HA -0.093 4.298 4.340 0.085 0.000 0.202 556 Q C 2.395 178.366 176.000 -0.049 0.000 0.977 556 Q CA 1.303 57.062 55.803 -0.074 0.000 0.850 556 Q CB -0.334 28.375 28.738 -0.048 0.000 0.901 556 Q HN 0.703 nan 8.270 nan 0.000 0.429 557 A N 0.009 122.804 122.820 -0.042 0.000 1.898 557 A HA -0.108 4.263 4.320 0.085 0.000 0.216 557 A C 2.265 179.846 177.584 -0.005 0.000 1.181 557 A CA 1.114 53.154 52.037 0.005 0.000 0.620 557 A CB -0.512 18.521 19.000 0.055 0.000 0.819 557 A HN 0.202 nan 8.150 nan 0.000 0.442 558 V N -0.034 119.847 119.914 -0.055 0.000 2.307 558 V HA -0.221 3.950 4.120 0.085 0.000 0.245 558 V C 3.073 179.130 176.094 -0.061 0.000 1.045 558 V CA 1.844 64.108 62.300 -0.060 0.000 1.024 558 V CB -1.313 30.417 31.823 -0.155 0.000 0.651 558 V HN 0.597 nan 8.190 nan 0.000 0.449 559 A N -0.074 122.699 122.820 -0.080 0.000 1.917 559 A HA -0.331 4.040 4.320 0.085 0.000 0.219 559 A C 2.324 179.886 177.584 -0.036 0.000 1.182 559 A CA 2.492 54.491 52.037 -0.063 0.000 0.633 559 A CB -0.582 18.379 19.000 -0.066 0.000 0.819 559 A HN 0.537 nan 8.150 nan 0.000 0.448 560 K N -0.485 119.902 120.400 -0.022 0.000 2.063 560 K HA -0.187 4.184 4.320 0.085 0.000 0.208 560 K C 1.454 178.056 176.600 0.004 0.000 1.048 560 K CA 1.666 57.950 56.287 -0.004 0.000 0.928 560 K CB -0.175 32.329 32.500 0.008 0.000 0.713 560 K HN 0.443 nan 8.250 nan 0.000 0.442 561 N N 0.198 118.903 118.700 0.008 0.000 2.459 561 N HA -0.085 4.706 4.740 0.085 0.000 0.181 561 N C 0.650 176.160 175.510 -0.001 0.000 1.046 561 N CA 0.659 53.720 53.050 0.019 0.000 0.904 561 N CB 0.184 38.695 38.487 0.039 0.000 0.964 561 N HN 0.153 nan 8.380 nan 0.000 0.444 562 L N -0.682 120.529 121.223 -0.020 0.000 2.693 562 L HA 0.313 4.704 4.340 0.085 0.000 0.235 562 L C 1.166 178.020 176.870 -0.027 0.000 1.127 562 L CA 0.129 54.948 54.840 -0.035 0.000 0.914 562 L CB -0.888 41.135 42.059 -0.060 0.000 1.193 562 L HN 0.158 nan 8.230 nan 0.000 0.502 563 G N 0.987 109.777 108.800 -0.016 0.000 2.198 563 G HA2 -0.291 3.720 3.960 0.085 0.000 0.260 563 G HA3 -0.291 3.720 3.960 0.085 0.000 0.260 563 G C 0.326 175.216 174.900 -0.016 0.000 1.025 563 G CA 0.340 45.433 45.100 -0.012 0.000 0.769 563 G HN 0.334 nan 8.290 nan 0.000 0.507 564 I N -0.072 120.484 120.570 -0.023 0.000 2.493 564 I HA 0.417 4.638 4.170 0.085 0.000 0.298 564 I C 0.273 176.374 176.117 -0.025 0.000 0.998 564 I CA -0.728 60.557 61.300 -0.025 0.000 1.137 564 I CB 1.694 39.671 38.000 -0.038 0.000 1.310 564 I HN 0.034 nan 8.210 nan 0.000 0.445 565 E N 4.738 124.925 120.200 -0.021 0.000 2.166 565 E HA 0.346 4.746 4.350 0.085 0.000 0.275 565 E C -1.135 175.448 176.600 -0.028 0.000 0.941 565 E CA -1.062 55.325 56.400 -0.023 0.000 0.784 565 E CB 2.069 31.759 29.700 -0.016 0.000 1.115 565 E HN 0.230 nan 8.360 nan 0.000 0.399 566 L N 2.787 123.988 121.223 -0.036 0.000 2.456 566 L HA 0.041 4.432 4.340 0.085 0.000 0.272 566 L C 1.109 177.958 176.870 -0.036 0.000 1.189 566 L CA 0.434 55.248 54.840 -0.044 0.000 0.846 566 L CB 0.323 42.348 42.059 -0.057 0.000 1.111 566 L HN 0.601 nan 8.230 nan 0.000 0.475 567 T N -1.228 113.305 114.554 -0.034 0.000 2.828 567 T HA 0.116 4.517 4.350 0.085 0.000 0.290 567 T C 1.204 175.883 174.700 -0.035 0.000 1.019 567 T CA -0.212 61.871 62.100 -0.029 0.000 1.031 567 T CB 0.492 69.346 68.868 -0.023 0.000 1.001 567 T HN 0.705 nan 8.240 nan 0.000 0.531 568 D N 1.165 121.547 120.400 -0.029 0.000 2.192 568 D HA -0.276 4.415 4.640 0.085 0.000 0.189 568 D C 1.142 177.418 176.300 -0.040 0.000 1.007 568 D CA 1.787 55.768 54.000 -0.031 0.000 0.859 568 D CB -0.499 40.287 40.800 -0.022 0.000 0.936 568 D HN 0.583 nan 8.370 nan 0.000 0.447 569 D N 0.912 121.289 120.400 -0.038 0.000 2.123 569 D HA -0.128 4.563 4.640 0.085 0.000 0.196 569 D C 2.408 178.661 176.300 -0.078 0.000 0.992 569 D CA 0.948 54.919 54.000 -0.048 0.000 0.833 569 D CB -0.300 40.479 40.800 -0.034 0.000 0.954 569 D HN 0.466 nan 8.370 nan 0.000 0.455 570 Q N -0.426 119.326 119.800 -0.079 0.000 2.119 570 Q HA -0.076 4.314 4.340 0.085 0.000 0.201 570 Q C 1.888 177.814 176.000 -0.123 0.000 0.972 570 Q CA 0.444 56.178 55.803 -0.115 0.000 0.847 570 Q CB 0.059 28.743 28.738 -0.091 0.000 0.903 570 Q HN 0.166 nan 8.270 nan 0.000 0.433 571 L N 0.949 122.119 121.223 -0.088 0.000 2.362 571 L HA -0.110 4.281 4.340 0.085 0.000 0.219 571 L C 1.043 177.864 176.870 -0.081 0.000 1.134 571 L CA 1.448 56.240 54.840 -0.079 0.000 0.807 571 L CB -0.482 41.544 42.059 -0.055 0.000 0.927 571 L HN 0.205 nan 8.230 nan 0.000 0.447 572 N N -1.116 117.532 118.700 -0.086 0.000 2.236 572 N HA 0.177 4.968 4.740 0.085 0.000 0.196 572 N C 0.341 175.791 175.510 -0.100 0.000 1.114 572 N CA -0.025 52.979 53.050 -0.076 0.000 0.859 572 N CB 0.346 38.799 38.487 -0.057 0.000 0.982 572 N HN 0.180 nan 8.380 nan 0.000 0.493 573 I N 1.517 121.994 120.570 -0.156 0.000 2.587 573 I HA -0.058 4.163 4.170 0.085 0.000 0.284 573 I C 0.383 176.409 176.117 -0.152 0.000 1.134 573 I CA 0.331 61.505 61.300 -0.210 0.000 1.410 573 I CB 0.245 37.996 38.000 -0.415 0.000 1.392 573 I HN -0.113 nan 8.210 nan 0.000 0.545 574 T N 8.192 122.685 114.554 -0.102 0.000 2.867 574 T HA 0.096 4.497 4.350 0.085 0.000 0.297 574 T C -1.956 172.711 174.700 -0.055 0.000 0.989 574 T CA -0.690 61.375 62.100 -0.058 0.000 1.159 574 T CB -0.038 68.815 68.868 -0.025 0.000 0.928 574 T HN 0.373 nan 8.240 nan 0.000 0.538 575 P HA 0.100 nan 4.420 nan 0.000 0.266 575 P C -2.111 175.206 177.300 0.028 0.000 1.186 575 P CA -0.948 62.145 63.100 -0.013 0.000 0.767 575 P CB -0.175 31.529 31.700 0.006 0.000 0.820 576 P HA 0.208 nan 4.420 nan 0.000 0.274 576 P C -2.465 174.890 177.300 0.093 0.000 1.246 576 P CA -1.323 61.845 63.100 0.113 0.000 0.795 576 P CB -0.749 31.063 31.700 0.187 0.000 1.006 577 P HA 0.144 nan 4.420 nan 0.000 0.272 577 P C -0.209 177.144 177.300 0.089 0.000 1.240 577 P CA 0.053 63.203 63.100 0.083 0.000 0.791 577 P CB 0.296 32.046 31.700 0.084 0.000 0.978 578 D N -0.350 120.095 120.400 0.075 0.000 2.361 578 D HA 0.093 4.784 4.640 0.085 0.000 0.239 578 D C -0.177 176.177 176.300 0.090 0.000 1.200 578 D CA 0.087 54.128 54.000 0.068 0.000 0.915 578 D CB 0.394 41.228 40.800 0.057 0.000 1.170 578 D HN -0.031 nan 8.370 nan 0.000 0.444 579 V N 2.437 122.396 119.914 0.075 0.000 2.334 579 V HA 0.075 4.246 4.120 0.085 0.000 0.267 579 V C 0.152 176.345 176.094 0.165 0.000 1.040 579 V CA -0.553 61.825 62.300 0.131 0.000 0.866 579 V CB 0.008 31.831 31.823 0.001 0.000 1.019 579 V HN 0.587 nan 8.190 nan 0.000 0.468 580 N N 4.414 123.226 118.700 0.186 0.000 2.708 580 N HA -0.234 4.557 4.740 0.085 0.000 0.251 580 N C 1.174 176.745 175.510 0.102 0.000 1.017 580 N CA 1.171 54.309 53.050 0.147 0.000 0.742 580 N CB -0.913 37.695 38.487 0.202 0.000 0.943 580 N HN 1.314 nan 8.380 nan 0.000 0.539 581 G N -2.153 106.696 108.800 0.081 0.000 2.179 581 G HA2 -0.329 3.681 3.960 0.085 0.000 0.260 581 G HA3 -0.329 3.681 3.960 0.085 0.000 0.260 581 G C 0.085 175.016 174.900 0.052 0.000 0.977 581 G CA 0.291 45.426 45.100 0.058 0.000 0.641 581 G HN 0.408 nan 8.290 nan 0.000 0.533 582 L N 1.231 122.489 121.223 0.059 0.000 2.319 582 L HA 0.366 4.757 4.340 0.085 0.000 0.280 582 L C 1.737 178.623 176.870 0.027 0.000 1.099 582 L CA -0.063 54.801 54.840 0.041 0.000 0.828 582 L CB 1.102 43.185 42.059 0.040 0.000 1.150 582 L HN 0.270 nan 8.230 nan 0.000 0.442 583 K N 3.814 124.224 120.400 0.017 0.000 2.358 583 K HA 0.156 4.527 4.320 0.085 0.000 0.197 583 K C -0.262 176.331 176.600 -0.011 0.000 1.025 583 K CA -0.002 56.291 56.287 0.010 0.000 1.104 583 K CB 0.530 33.037 32.500 0.011 0.000 0.855 583 K HN 0.727 nan 8.250 nan 0.000 0.531 584 K N -0.507 119.882 120.400 -0.018 0.000 2.772 584 K HA 0.256 4.627 4.320 0.085 0.000 0.292 584 K C -2.108 174.474 176.600 -0.031 0.000 1.049 584 K CA -0.926 55.333 56.287 -0.046 0.000 0.846 584 K CB 0.795 33.247 32.500 -0.080 0.000 1.514 584 K HN -0.138 nan 8.250 nan 0.000 0.373 585 D N 0.979 121.353 120.400 -0.043 0.000 2.478 585 D HA 0.329 5.020 4.640 0.085 0.000 0.240 585 D C -2.273 174.009 176.300 -0.029 0.000 1.364 585 D CA -2.013 51.981 54.000 -0.011 0.000 0.987 585 D CB 2.254 43.071 40.800 0.028 0.000 1.328 585 D HN 0.254 nan 8.370 nan 0.000 0.584 586 P HA -0.079 nan 4.420 nan 0.000 0.226 586 P C 1.302 178.593 177.300 -0.016 0.000 1.153 586 P CA 0.759 63.829 63.100 -0.050 0.000 0.777 586 P CB 0.250 31.932 31.700 -0.030 0.000 0.794 587 S N -0.886 114.838 115.700 0.040 0.000 2.469 587 S HA -0.081 4.440 4.470 0.085 0.000 0.238 587 S C 1.653 176.339 174.600 0.142 0.000 0.998 587 S CA 0.854 59.114 58.200 0.099 0.000 0.957 587 S CB -1.410 61.873 63.200 0.138 0.000 0.764 587 S HN 0.149 nan 8.310 nan 0.000 0.514 588 L N 1.226 122.498 121.223 0.082 0.000 2.492 588 L HA 0.207 4.598 4.340 0.085 0.000 0.223 588 L C 1.452 178.222 176.870 -0.166 0.000 1.132 588 L CA 0.125 55.011 54.840 0.077 0.000 0.850 588 L CB -0.294 41.784 42.059 0.032 0.000 0.966 588 L HN 0.332 nan 8.230 nan 0.000 0.454 589 S N -0.476 115.111 115.700 -0.189 0.000 2.585 589 S HA 0.315 4.836 4.470 0.085 0.000 0.277 589 S C 1.041 175.521 174.600 -0.201 0.000 1.241 589 S CA -0.641 57.388 58.200 -0.286 0.000 1.041 589 S CB 1.435 64.471 63.200 -0.273 0.000 0.987 589 S HN 0.157 nan 8.310 nan 0.000 0.512 590 L N 2.863 123.886 121.223 -0.333 0.000 2.156 590 L HA 0.035 4.426 4.340 0.085 0.000 0.208 590 L C 0.792 177.360 176.870 -0.504 0.000 1.095 590 L CA 1.092 55.626 54.840 -0.510 0.000 0.770 590 L CB -0.250 41.183 42.059 -1.044 0.000 0.914 590 L HN 0.757 nan 8.230 nan 0.000 0.439 591 Y N -2.415 117.884 120.300 -0.001 0.000 2.471 591 Y HA 0.339 4.941 4.550 0.085 0.000 0.249 591 Y C 2.080 178.008 175.900 0.047 0.000 1.116 591 Y CA -0.185 57.967 58.100 0.086 0.000 1.240 591 Y CB -0.371 38.183 38.460 0.157 0.000 1.251 591 Y HN -0.051 nan 8.280 nan 0.000 0.527 592 A N 0.670 123.523 122.820 0.055 0.000 1.908 592 A HA -0.059 4.312 4.320 0.085 0.000 0.218 592 A C 0.967 178.587 177.584 0.060 0.000 1.181 592 A CA 1.098 53.141 52.037 0.010 0.000 0.627 592 A CB -0.614 18.338 19.000 -0.081 0.000 0.818 592 A HN 0.257 nan 8.150 nan 0.000 0.445 593 I N 1.092 121.703 120.570 0.068 0.000 2.328 593 I HA 0.233 4.454 4.170 0.085 0.000 0.287 593 I C -2.483 173.705 176.117 0.118 0.000 1.012 593 I CA -2.141 59.206 61.300 0.080 0.000 1.195 593 I CB 1.243 39.279 38.000 0.060 0.000 1.350 593 I HN 0.015 nan 8.210 nan 0.000 0.464 594 P HA -0.049 nan 4.420 nan 0.000 0.261 594 P C -0.009 177.363 177.300 0.119 0.000 1.173 594 P CA 0.508 63.695 63.100 0.144 0.000 0.760 594 P CB 0.453 32.221 31.700 0.113 0.000 0.783 595 D N 1.743 122.222 120.400 0.132 0.000 2.848 595 D HA 0.031 4.722 4.640 0.085 0.000 0.303 595 D C 0.077 176.435 176.300 0.097 0.000 1.665 595 D CA -0.326 53.735 54.000 0.101 0.000 0.807 595 D CB -0.134 40.722 40.800 0.094 0.000 1.288 595 D HN 0.381 nan 8.370 nan 0.000 0.441 596 G N 0.616 109.484 108.800 0.113 0.000 2.442 596 G HA2 0.379 4.390 3.960 0.085 0.000 0.249 596 G HA3 0.379 4.390 3.960 0.085 0.000 0.249 596 G C -0.806 174.134 174.900 0.067 0.000 1.263 596 G CA 0.050 45.213 45.100 0.105 0.000 0.846 596 G HN 0.227 nan 8.290 nan 0.000 0.555 597 D N 0.113 120.544 120.400 0.051 0.000 2.936 597 D HA 0.268 4.959 4.640 0.085 0.000 0.238 597 D C 0.775 177.087 176.300 0.020 0.000 1.248 597 D CA -0.479 53.538 54.000 0.027 0.000 0.903 597 D CB 1.979 42.788 40.800 0.015 0.000 1.544 597 D HN 0.350 nan 8.370 nan 0.000 0.543 598 V N 1.483 121.401 119.914 0.007 0.000 3.506 598 V HA 0.296 4.467 4.120 0.085 0.000 0.263 598 V C 0.966 177.042 176.094 -0.030 0.000 1.203 598 V CA 0.086 62.386 62.300 -0.000 0.000 1.133 598 V CB -0.672 31.147 31.823 -0.006 0.000 0.802 598 V HN 0.427 nan 8.190 nan 0.000 0.459 599 K N 1.335 121.710 120.400 -0.042 0.000 2.447 599 K HA 0.379 4.749 4.320 0.085 0.000 0.281 599 K C 1.257 177.815 176.600 -0.071 0.000 1.031 599 K CA 1.086 57.326 56.287 -0.079 0.000 1.019 599 K CB 0.109 32.570 32.500 -0.066 0.000 0.918 599 K HN 0.726 nan 8.250 nan 0.000 0.476 600 G N 3.290 112.014 108.800 -0.127 0.000 2.195 600 G HA2 -0.214 3.797 3.960 0.085 0.000 0.246 600 G HA3 -0.214 3.797 3.960 0.085 0.000 0.246 600 G C 0.125 175.067 174.900 0.070 0.000 0.984 600 G CA -0.270 44.826 45.100 -0.006 0.000 0.633 600 G HN 0.565 nan 8.290 nan 0.000 0.525 601 R N -0.261 120.248 120.500 0.016 0.000 2.738 601 R HA 0.632 5.023 4.340 0.085 0.000 0.275 601 R C 0.127 176.481 176.300 0.090 0.000 1.121 601 R CA 0.092 56.233 56.100 0.067 0.000 1.207 601 R CB 0.542 30.875 30.300 0.055 0.000 1.141 601 R HN 0.418 nan 8.270 nan 0.000 0.571 602 V N 0.459 120.443 119.914 0.117 0.000 2.808 602 V HA 0.339 4.510 4.120 0.085 0.000 0.308 602 V C -0.382 175.779 176.094 0.110 0.000 1.099 602 V CA -0.897 61.488 62.300 0.141 0.000 0.920 602 V CB 2.338 34.265 31.823 0.173 0.000 1.014 602 V HN 0.376 nan 8.190 nan 0.000 0.425 603 V N 2.606 122.579 119.914 0.098 0.000 2.628 603 V HA 0.824 4.995 4.120 0.085 0.000 0.306 603 V C 0.437 176.589 176.094 0.096 0.000 1.045 603 V CA -0.571 61.778 62.300 0.083 0.000 0.905 603 V CB 2.055 33.911 31.823 0.055 0.000 0.997 603 V HN 1.071 nan 8.190 nan 0.000 0.436 604 A N 5.446 128.329 122.820 0.105 0.000 2.328 604 A HA 0.776 5.147 4.320 0.085 0.000 0.284 604 A C -0.494 177.106 177.584 0.027 0.000 1.160 604 A CA -0.259 51.828 52.037 0.084 0.000 0.818 604 A CB 0.071 19.149 19.000 0.130 0.000 1.087 604 A HN 0.746 nan 8.150 nan 0.000 0.504 605 I N 3.364 123.944 120.570 0.018 0.000 2.382 605 I HA 0.210 4.431 4.170 0.085 0.000 0.286 605 I C -0.589 175.534 176.117 0.010 0.000 1.002 605 I CA -0.256 61.053 61.300 0.016 0.000 1.135 605 I CB 1.485 39.508 38.000 0.037 0.000 1.288 605 I HN 0.485 nan 8.210 nan 0.000 0.448 606 L N 7.296 128.508 121.223 -0.018 0.000 2.295 606 L HA 0.397 4.788 4.340 0.085 0.000 0.288 606 L C 0.089 177.046 176.870 0.146 0.000 1.079 606 L CA -0.286 54.584 54.840 0.050 0.000 0.830 606 L CB 0.187 42.135 42.059 -0.186 0.000 1.200 606 L HN 0.455 nan 8.230 nan 0.000 0.438 607 L N 3.560 124.917 121.223 0.224 0.000 2.468 607 L HA 0.326 4.717 4.340 0.085 0.000 0.254 607 L C 0.146 177.189 176.870 0.289 0.000 1.171 607 L CA -0.406 54.527 54.840 0.154 0.000 0.809 607 L CB 0.941 43.005 42.059 0.009 0.000 1.155 607 L HN 0.696 nan 8.230 nan 0.000 0.473 608 N N -2.324 116.448 118.700 0.120 0.000 2.831 608 N HA 0.217 5.008 4.740 0.085 0.000 0.276 608 N C -0.450 175.020 175.510 -0.067 0.000 1.416 608 N CA -0.724 52.443 53.050 0.195 0.000 0.799 608 N CB 0.649 39.249 38.487 0.187 0.000 1.554 608 N HN 0.522 nan 8.380 nan 0.000 0.541 609 D N -1.846 118.565 120.400 0.020 0.000 2.349 609 D HA 0.011 4.702 4.640 0.085 0.000 0.224 609 D C -0.327 175.935 176.300 -0.064 0.000 1.029 609 D CA 0.669 54.612 54.000 -0.095 0.000 0.879 609 D CB -0.006 40.813 40.800 0.032 0.000 0.906 609 D HN 0.658 nan 8.370 nan 0.000 0.528 610 E N 0.165 120.347 120.200 -0.030 0.000 3.935 610 E HA 0.228 4.629 4.350 0.085 0.000 0.226 610 E C -1.207 175.379 176.600 -0.023 0.000 1.220 610 E CA -0.395 55.988 56.400 -0.027 0.000 1.226 610 E CB 0.961 30.655 29.700 -0.011 0.000 1.237 610 E HN -0.105 nan 8.360 nan 0.000 0.417 611 V N 1.816 121.707 119.914 -0.037 0.000 2.617 611 V HA -0.009 4.162 4.120 0.085 0.000 0.304 611 V C 0.910 176.989 176.094 -0.026 0.000 1.040 611 V CA 0.331 62.616 62.300 -0.025 0.000 1.149 611 V CB 0.589 32.392 31.823 -0.035 0.000 0.914 611 V HN 0.455 nan 8.190 nan 0.000 0.487 612 R N 3.794 124.280 120.500 -0.023 0.000 2.474 612 R HA 0.000 4.391 4.340 0.085 0.000 0.339 612 R C 1.593 177.872 176.300 -0.035 0.000 1.033 612 R CA 0.546 56.628 56.100 -0.031 0.000 0.997 612 R CB 0.180 30.457 30.300 -0.038 0.000 0.963 612 R HN 0.997 nan 8.270 nan 0.000 0.438 613 S N 3.025 118.706 115.700 -0.032 0.000 2.423 613 S HA -0.177 4.343 4.470 0.085 0.000 0.231 613 S C 1.978 176.559 174.600 -0.032 0.000 1.014 613 S CA 0.686 58.868 58.200 -0.030 0.000 0.965 613 S CB -0.015 63.169 63.200 -0.026 0.000 0.785 613 S HN 0.673 nan 8.310 nan 0.000 0.495 614 A N 2.369 125.167 122.820 -0.037 0.000 1.933 614 A HA -0.130 4.240 4.320 0.085 0.000 0.218 614 A C 1.974 179.524 177.584 -0.057 0.000 1.175 614 A CA 1.716 53.728 52.037 -0.042 0.000 0.628 614 A CB -0.866 18.107 19.000 -0.045 0.000 0.814 614 A HN 0.454 nan 8.150 nan 0.000 0.444 615 D N -0.188 120.169 120.400 -0.072 0.000 2.084 615 D HA -0.129 4.561 4.640 0.085 0.000 0.194 615 D C 1.925 178.188 176.300 -0.062 0.000 0.990 615 D CA 0.906 54.845 54.000 -0.103 0.000 0.826 615 D CB -0.359 40.371 40.800 -0.117 0.000 0.971 615 D HN 0.361 nan 8.370 nan 0.000 0.453 616 L N 0.376 121.577 121.223 -0.037 0.000 2.046 616 L HA -0.131 4.260 4.340 0.085 0.000 0.208 616 L C 2.436 179.302 176.870 -0.007 0.000 1.077 616 L CA 0.743 55.574 54.840 -0.014 0.000 0.747 616 L CB -0.208 41.844 42.059 -0.013 0.000 0.896 616 L HN 0.102 nan 8.230 nan 0.000 0.432 617 L N -0.639 120.576 121.223 -0.014 0.000 2.046 617 L HA -0.214 4.177 4.340 0.085 0.000 0.208 617 L C 2.777 179.645 176.870 -0.002 0.000 1.077 617 L CA 1.292 56.127 54.840 -0.008 0.000 0.747 617 L CB -0.565 41.486 42.059 -0.012 0.000 0.896 617 L HN 0.281 nan 8.230 nan 0.000 0.432 618 A N -0.039 122.776 122.820 -0.009 0.000 1.930 618 A HA -0.158 4.213 4.320 0.085 0.000 0.217 618 A C 2.156 179.756 177.584 0.028 0.000 1.175 618 A CA 1.357 53.394 52.037 0.001 0.000 0.627 618 A CB -0.550 18.437 19.000 -0.021 0.000 0.815 618 A HN 0.362 nan 8.150 nan 0.000 0.443 619 I N -0.464 120.125 120.570 0.031 0.000 2.202 619 I HA -0.224 3.997 4.170 0.085 0.000 0.242 619 I C 2.323 178.471 176.117 0.050 0.000 1.091 619 I CA 1.081 62.423 61.300 0.069 0.000 1.368 619 I CB -0.277 37.770 38.000 0.078 0.000 1.058 619 I HN 0.265 nan 8.210 nan 0.000 0.410 620 L N 0.541 121.783 121.223 0.033 0.000 2.141 620 L HA -0.188 4.203 4.340 0.085 0.000 0.209 620 L C 2.610 179.493 176.870 0.022 0.000 1.094 620 L CA 1.165 56.022 54.840 0.028 0.000 0.763 620 L CB -0.548 41.525 42.059 0.023 0.000 0.908 620 L HN 0.244 nan 8.230 nan 0.000 0.437 621 K N 0.770 121.181 120.400 0.019 0.000 2.026 621 K HA -0.187 4.184 4.320 0.085 0.000 0.208 621 K C 2.135 178.744 176.600 0.016 0.000 1.048 621 K CA 1.463 57.759 56.287 0.015 0.000 0.929 621 K CB -0.073 32.434 32.500 0.012 0.000 0.713 621 K HN 0.237 nan 8.250 nan 0.000 0.439 622 A N 1.434 124.269 122.820 0.026 0.000 1.930 622 A HA -0.070 4.301 4.320 0.085 0.000 0.217 622 A C 2.147 179.739 177.584 0.012 0.000 1.175 622 A CA 1.072 53.124 52.037 0.025 0.000 0.627 622 A CB -0.524 18.503 19.000 0.045 0.000 0.815 622 A HN 0.314 nan 8.150 nan 0.000 0.443 623 L N -0.684 120.547 121.223 0.014 0.000 1.994 623 L HA -0.234 4.157 4.340 0.085 0.000 0.208 623 L C 2.628 179.482 176.870 -0.027 0.000 1.071 623 L CA 2.095 56.932 54.840 -0.005 0.000 0.745 623 L CB -0.547 41.518 42.059 0.009 0.000 0.892 623 L HN 0.453 nan 8.230 nan 0.000 0.431 624 K N 0.388 120.780 120.400 -0.013 0.000 2.089 624 K HA -0.245 4.126 4.320 0.085 0.000 0.210 624 K C 2.030 178.614 176.600 -0.026 0.000 1.048 624 K CA 1.710 57.986 56.287 -0.018 0.000 0.926 624 K CB -0.194 32.307 32.500 0.002 0.000 0.714 624 K HN 0.305 nan 8.250 nan 0.000 0.448 625 A N 0.624 123.435 122.820 -0.016 0.000 2.019 625 A HA -0.119 4.252 4.320 0.085 0.000 0.219 625 A C 1.628 179.197 177.584 -0.025 0.000 1.164 625 A CA 1.418 53.446 52.037 -0.015 0.000 0.644 625 A CB -0.192 18.805 19.000 -0.005 0.000 0.805 625 A HN 0.180 nan 8.150 nan 0.000 0.449 626 K N -1.326 119.053 120.400 -0.035 0.000 2.374 626 K HA 0.174 4.545 4.320 0.085 0.000 0.196 626 K C 0.975 177.527 176.600 -0.080 0.000 1.023 626 K CA 0.635 56.895 56.287 -0.045 0.000 1.103 626 K CB 0.038 32.517 32.500 -0.035 0.000 0.848 626 K HN 0.678 nan 8.250 nan 0.000 0.528 627 G N 1.727 110.465 108.800 -0.104 0.000 2.198 627 G HA2 -0.236 3.774 3.960 0.085 0.000 0.260 627 G HA3 -0.236 3.774 3.960 0.085 0.000 0.260 627 G C 0.134 174.832 174.900 -0.336 0.000 1.025 627 G CA 0.277 45.266 45.100 -0.184 0.000 0.769 627 G HN 0.123 nan 8.290 nan 0.000 0.507 628 V N 0.719 120.483 119.914 -0.250 0.000 2.498 628 V HA 0.430 4.601 4.120 0.085 0.000 0.279 628 V C 0.852 176.785 176.094 -0.268 0.000 1.048 628 V CA -0.657 61.493 62.300 -0.250 0.000 0.967 628 V CB 0.977 32.743 31.823 -0.095 0.000 0.988 628 V HN 0.457 nan 8.190 nan 0.000 0.473 629 H N 1.875 120.957 119.070 0.020 0.000 2.505 629 H HA 0.720 5.327 4.556 0.085 0.000 0.355 629 H C 0.241 175.590 175.328 0.035 0.000 1.179 629 H CA 0.119 56.182 56.048 0.025 0.000 1.343 629 H CB 1.175 30.953 29.762 0.026 0.000 1.501 629 H HN 0.845 nan 8.280 nan 0.000 0.569 630 A N 1.418 124.339 122.820 0.168 0.000 2.413 630 A HA 0.547 4.917 4.320 0.085 0.000 0.307 630 A C -1.033 176.609 177.584 0.097 0.000 1.087 630 A CA -1.011 51.092 52.037 0.110 0.000 0.750 630 A CB 1.145 20.191 19.000 0.077 0.000 1.296 630 A HN 0.802 nan 8.150 nan 0.000 0.423 631 K N 2.151 122.603 120.400 0.085 0.000 2.463 631 K HA 0.648 5.019 4.320 0.085 0.000 0.255 631 K C -1.683 174.950 176.600 0.055 0.000 0.942 631 K CA -0.469 55.861 56.287 0.072 0.000 0.814 631 K CB 1.308 33.861 32.500 0.088 0.000 1.122 631 K HN 0.518 nan 8.250 nan 0.000 0.425 632 L N 4.536 125.782 121.223 0.039 0.000 2.278 632 L HA 0.316 4.707 4.340 0.085 0.000 0.287 632 L C -0.755 176.129 176.870 0.024 0.000 1.072 632 L CA -1.072 53.784 54.840 0.028 0.000 0.819 632 L CB 0.484 42.550 42.059 0.011 0.000 1.176 632 L HN 0.516 nan 8.230 nan 0.000 0.435 633 L N 4.455 125.701 121.223 0.039 0.000 2.334 633 L HA 0.598 4.988 4.340 0.085 0.000 0.273 633 L C -0.470 176.373 176.870 -0.045 0.000 1.013 633 L CA -0.324 54.516 54.840 0.001 0.000 0.816 633 L CB 1.545 43.640 42.059 0.061 0.000 1.278 633 L HN 0.344 nan 8.230 nan 0.000 0.431 634 Y N -0.454 119.485 120.300 -0.601 0.000 2.900 634 Y HA 0.307 4.908 4.550 0.085 0.000 0.318 634 Y C 0.843 176.027 175.900 -1.194 0.000 1.457 634 Y CA -0.469 57.145 58.100 -0.810 0.000 1.082 634 Y CB 1.370 39.648 38.460 -0.302 0.000 1.419 634 Y HN 0.536 nan 8.280 nan 0.000 0.459 635 S N 0.563 115.365 115.700 -1.497 0.000 2.575 635 S HA 0.290 4.811 4.470 0.085 0.000 0.215 635 S C -0.034 174.280 174.600 -0.478 0.000 0.966 635 S CA 0.204 57.858 58.200 -0.909 0.000 0.911 635 S CB -0.163 62.639 63.200 -0.663 0.000 0.780 635 S HN 0.599 nan 8.310 nan 0.000 0.514 636 R N -1.074 119.230 120.500 -0.327 0.000 2.752 636 R HA 0.625 5.016 4.340 0.085 0.000 0.271 636 R C -0.726 175.565 176.300 -0.015 0.000 1.026 636 R CA -1.110 54.926 56.100 -0.106 0.000 0.901 636 R CB 0.512 30.789 30.300 -0.039 0.000 1.243 636 R HN -0.079 nan 8.270 nan 0.000 0.463 637 M N 0.280 119.875 119.600 -0.009 0.000 2.012 637 M HA 0.440 4.971 4.480 0.085 0.000 0.248 637 M C 1.093 177.407 176.300 0.025 0.000 1.238 637 M CA 1.144 56.448 55.300 0.005 0.000 0.980 637 M CB 0.364 32.960 32.600 -0.006 0.000 1.346 637 M HN 1.054 nan 8.290 nan 0.000 0.511 638 G N 0.854 109.661 108.800 0.011 0.000 2.662 638 G HA2 -0.145 3.865 3.960 0.085 0.000 0.236 638 G HA3 -0.145 3.865 3.960 0.085 0.000 0.236 638 G C -0.828 174.066 174.900 -0.010 0.000 1.212 638 G CA -0.339 44.763 45.100 0.004 0.000 0.968 638 G HN 0.642 nan 8.290 nan 0.000 0.576 639 E N -0.871 119.315 120.200 -0.023 0.000 2.393 639 E HA 0.614 5.014 4.350 0.085 0.000 0.273 639 E C -0.254 176.283 176.600 -0.105 0.000 0.918 639 E CA -0.533 55.833 56.400 -0.056 0.000 0.773 639 E CB 2.926 32.601 29.700 -0.042 0.000 1.275 639 E HN 1.221 nan 8.360 nan 0.000 0.451 640 V N -1.890 117.925 119.914 -0.165 0.000 3.158 640 V HA 0.772 4.943 4.120 0.085 0.000 0.315 640 V C -0.462 175.552 176.094 -0.135 0.000 1.148 640 V CA -0.613 61.560 62.300 -0.212 0.000 1.042 640 V CB 2.006 33.572 31.823 -0.429 0.000 1.101 640 V HN 0.635 nan 8.190 nan 0.000 0.448 641 T N 1.723 116.208 114.554 -0.116 0.000 2.812 641 T HA 0.788 5.189 4.350 0.085 0.000 0.282 641 T C 0.064 174.722 174.700 -0.070 0.000 0.990 641 T CA 0.213 62.268 62.100 -0.075 0.000 0.960 641 T CB 1.283 70.121 68.868 -0.051 0.000 0.948 641 T HN 1.326 nan 8.240 nan 0.000 0.438 642 A N 2.202 124.988 122.820 -0.058 0.000 2.296 642 A HA 0.437 4.807 4.320 0.085 0.000 0.264 642 A C 1.491 179.054 177.584 -0.036 0.000 1.097 642 A CA -0.412 51.596 52.037 -0.048 0.000 0.811 642 A CB 0.162 19.138 19.000 -0.041 0.000 1.072 642 A HN 0.904 nan 8.150 nan 0.000 0.495 643 D N 0.196 120.578 120.400 -0.030 0.000 2.182 643 D HA -0.205 4.486 4.640 0.085 0.000 0.201 643 D C 0.667 176.954 176.300 -0.022 0.000 0.986 643 D CA 1.616 55.602 54.000 -0.024 0.000 0.847 643 D CB -0.389 40.398 40.800 -0.022 0.000 0.942 643 D HN 0.602 nan 8.370 nan 0.000 0.467 644 D N -1.137 119.250 120.400 -0.022 0.000 2.319 644 D HA 0.170 4.860 4.640 0.085 0.000 0.230 644 D C 1.651 177.940 176.300 -0.019 0.000 1.094 644 D CA 0.509 54.497 54.000 -0.019 0.000 0.856 644 D CB -0.235 40.553 40.800 -0.019 0.000 0.915 644 D HN 0.401 nan 8.370 nan 0.000 0.517 645 G N -0.191 108.596 108.800 -0.022 0.000 2.179 645 G HA2 -0.287 3.724 3.960 0.085 0.000 0.260 645 G HA3 -0.287 3.724 3.960 0.085 0.000 0.260 645 G C 0.442 175.328 174.900 -0.023 0.000 0.977 645 G CA 0.316 45.403 45.100 -0.022 0.000 0.641 645 G HN 0.462 nan 8.290 nan 0.000 0.533 646 T N 1.254 115.793 114.554 -0.024 0.000 2.871 646 T HA 0.378 4.779 4.350 0.085 0.000 0.296 646 T C 0.744 175.425 174.700 -0.033 0.000 0.998 646 T CA 0.198 62.283 62.100 -0.025 0.000 1.162 646 T CB 2.045 70.899 68.868 -0.024 0.000 0.947 646 T HN 0.489 nan 8.240 nan 0.000 0.536 647 V N 5.502 125.398 119.914 -0.030 0.000 2.498 647 V HA 0.308 4.479 4.120 0.085 0.000 0.279 647 V C 0.228 176.298 176.094 -0.038 0.000 1.048 647 V CA -0.485 61.793 62.300 -0.037 0.000 0.967 647 V CB 0.732 32.538 31.823 -0.028 0.000 0.988 647 V HN 0.673 nan 8.190 nan 0.000 0.473 648 L N 7.895 129.085 121.223 -0.054 0.000 2.316 648 L HA 0.455 4.846 4.340 0.085 0.000 0.280 648 L C -2.382 174.455 176.870 -0.056 0.000 1.006 648 L CA -1.795 53.013 54.840 -0.052 0.000 0.836 648 L CB 2.063 44.081 42.059 -0.067 0.000 1.221 648 L HN 0.432 nan 8.230 nan 0.000 0.418 649 P HA 0.116 nan 4.420 nan 0.000 0.271 649 P C -0.655 176.630 177.300 -0.025 0.000 1.216 649 P CA -0.166 62.918 63.100 -0.026 0.000 0.771 649 P CB 0.954 32.647 31.700 -0.012 0.000 0.864 650 I N 2.528 123.085 120.570 -0.022 0.000 2.342 650 I HA 0.163 4.384 4.170 0.085 0.000 0.291 650 I C 1.550 177.665 176.117 -0.003 0.000 1.010 650 I CA -0.449 60.843 61.300 -0.012 0.000 1.308 650 I CB 0.637 38.637 38.000 0.001 0.000 1.400 650 I HN 0.421 nan 8.210 nan 0.000 0.488 651 A N 5.435 128.257 122.820 0.004 0.000 1.935 651 A HA 0.556 4.926 4.320 0.085 0.000 0.214 651 A C 0.965 178.555 177.584 0.011 0.000 1.178 651 A CA 1.097 53.141 52.037 0.012 0.000 0.640 651 A CB 0.146 19.162 19.000 0.025 0.000 0.825 651 A HN 0.817 nan 8.150 nan 0.000 0.447 652 A N -1.825 120.996 122.820 0.002 0.000 2.601 652 A HA 0.583 4.954 4.320 0.085 0.000 0.291 652 A C -0.014 177.535 177.584 -0.058 0.000 1.075 652 A CA 0.079 52.114 52.037 -0.002 0.000 0.671 652 A CB -0.144 18.879 19.000 0.038 0.000 1.277 652 A HN 0.696 nan 8.150 nan 0.000 0.417 653 T N -1.396 113.114 114.554 -0.074 0.000 2.816 653 T HA 0.517 4.918 4.350 0.085 0.000 0.282 653 T C 1.028 175.690 174.700 -0.063 0.000 0.993 653 T CA 0.077 62.062 62.100 -0.191 0.000 0.994 653 T CB 0.010 68.795 68.868 -0.138 0.000 1.025 653 T HN 0.453 nan 8.240 nan 0.000 0.529 654 F N 0.600 120.570 119.950 0.034 0.000 2.091 654 F HA -0.101 4.477 4.527 0.084 0.000 0.299 654 F C 2.962 178.891 175.800 0.214 0.000 1.103 654 F CA 1.115 59.188 58.000 0.123 0.000 1.228 654 F CB -0.656 38.393 39.000 0.082 0.000 0.984 654 F HN 0.697 nan 8.300 nan 0.000 0.477 655 A N 0.134 123.123 122.820 0.281 0.000 2.016 655 A HA 0.085 4.456 4.320 0.085 0.000 0.217 655 A C 2.374 180.029 177.584 0.119 0.000 1.162 655 A CA 1.257 53.398 52.037 0.175 0.000 0.662 655 A CB -1.306 17.753 19.000 0.098 0.000 0.812 655 A HN 0.395 nan 8.150 nan 0.000 0.450 656 G N -0.823 108.035 108.800 0.097 0.000 2.448 656 G HA2 0.279 4.290 3.960 0.085 0.000 0.218 656 G HA3 0.279 4.290 3.960 0.085 0.000 0.218 656 G C 0.661 175.614 174.900 0.089 0.000 1.135 656 G CA 0.957 46.096 45.100 0.065 0.000 0.784 656 G HN 1.053 nan 8.290 nan 0.000 0.543 657 A N 1.050 123.960 122.820 0.151 0.000 3.216 657 A HA 0.659 5.030 4.320 0.085 0.000 0.321 657 A C -2.544 175.201 177.584 0.268 0.000 1.042 657 A CA -1.119 51.023 52.037 0.175 0.000 0.838 657 A CB 1.198 20.298 19.000 0.166 0.000 1.136 657 A HN 0.137 nan 8.150 nan 0.000 0.483 658 P HA 0.041 nan 4.420 nan 0.000 0.271 658 P C 1.265 178.404 177.300 -0.269 0.000 1.244 658 P CA 0.341 63.406 63.100 -0.059 0.000 0.793 658 P CB 0.814 32.465 31.700 -0.082 0.000 0.984 659 S N 0.559 115.729 115.700 -0.883 0.000 2.440 659 S HA -0.150 4.371 4.470 0.085 0.000 0.238 659 S C 1.908 176.372 174.600 -0.227 0.000 1.010 659 S CA 0.927 58.759 58.200 -0.614 0.000 0.972 659 S CB -1.318 61.429 63.200 -0.753 0.000 0.774 659 S HN 0.364 nan 8.310 nan 0.000 0.501 660 L N 1.762 122.857 121.223 -0.213 0.000 2.081 660 L HA -0.106 4.285 4.340 0.085 0.000 0.212 660 L C 2.933 179.654 176.870 -0.249 0.000 1.080 660 L CA 1.713 56.423 54.840 -0.217 0.000 0.754 660 L CB -1.406 40.499 42.059 -0.257 0.000 0.893 660 L HN 0.639 nan 8.230 nan 0.000 0.433 661 T N -3.153 111.325 114.554 -0.126 0.000 3.129 661 T HA 0.224 4.625 4.350 0.085 0.000 0.251 661 T C 0.329 175.137 174.700 0.180 0.000 1.117 661 T CA 0.098 62.214 62.100 0.027 0.000 1.034 661 T CB -0.469 68.491 68.868 0.153 0.000 0.968 661 T HN 0.156 nan 8.240 nan 0.000 0.526 662 V N -2.787 117.189 119.914 0.105 0.000 3.113 662 V HA 0.574 4.745 4.120 0.085 0.000 0.316 662 V C -0.115 176.031 176.094 0.085 0.000 1.125 662 V CA -0.988 61.392 62.300 0.133 0.000 1.026 662 V CB 2.116 34.030 31.823 0.153 0.000 1.080 662 V HN 0.006 nan 8.190 nan 0.000 0.444 663 D N 0.879 121.330 120.400 0.085 0.000 2.366 663 D HA 0.488 5.179 4.640 0.085 0.000 0.205 663 D C 0.552 176.843 176.300 -0.016 0.000 1.022 663 D CA 1.468 55.493 54.000 0.042 0.000 0.868 663 D CB 1.497 42.344 40.800 0.078 0.000 0.953 663 D HN 0.984 nan 8.370 nan 0.000 0.514 664 A N 0.219 123.045 122.820 0.009 0.000 2.597 664 A HA 0.513 4.883 4.320 0.085 0.000 0.292 664 A C -1.539 176.062 177.584 0.028 0.000 1.057 664 A CA -0.564 51.462 52.037 -0.017 0.000 0.674 664 A CB 1.473 20.451 19.000 -0.037 0.000 1.278 664 A HN -0.101 nan 8.150 nan 0.000 0.416 665 V N 1.380 121.305 119.914 0.018 0.000 2.588 665 V HA 0.603 4.774 4.120 0.085 0.000 0.304 665 V C -0.614 175.485 176.094 0.009 0.000 1.042 665 V CA -0.258 62.065 62.300 0.039 0.000 0.877 665 V CB 1.551 33.416 31.823 0.069 0.000 0.996 665 V HN 0.700 nan 8.190 nan 0.000 0.425 666 I N 4.077 124.661 120.570 0.023 0.000 2.509 666 I HA 0.584 4.804 4.170 0.085 0.000 0.293 666 I C -0.872 175.272 176.117 0.046 0.000 1.020 666 I CA -0.944 60.398 61.300 0.070 0.000 1.088 666 I CB 2.282 40.355 38.000 0.122 0.000 1.267 666 I HN 0.277 nan 8.210 nan 0.000 0.430 667 V N 7.230 127.190 119.914 0.076 0.000 2.349 667 V HA 0.355 4.526 4.120 0.085 0.000 0.284 667 V C -2.098 174.054 176.094 0.097 0.000 1.014 667 V CA -1.573 60.759 62.300 0.053 0.000 0.826 667 V CB 1.263 33.095 31.823 0.015 0.000 1.009 667 V HN 0.566 nan 8.190 nan 0.000 0.431 668 P HA 0.172 nan 4.420 nan 0.000 0.275 668 P C 0.262 177.580 177.300 0.029 0.000 1.266 668 P CA -0.283 62.828 63.100 0.018 0.000 0.793 668 P CB 0.981 32.684 31.700 0.004 0.000 1.074 669 C N -0.597 118.695 119.300 -0.013 0.000 2.633 669 C HA 0.671 5.182 4.460 0.085 0.000 0.345 669 C C 1.271 176.266 174.990 0.007 0.000 1.384 669 C CA 1.677 60.694 59.018 -0.002 0.000 2.418 669 C CB -0.651 27.070 27.740 -0.032 0.000 2.425 669 C HN 0.922 nan 8.230 nan 0.000 0.705 670 G N 1.516 110.321 108.800 0.008 0.000 2.347 670 G HA2 0.016 4.027 3.960 0.085 0.000 0.224 670 G HA3 0.016 4.027 3.960 0.085 0.000 0.224 670 G C -0.886 174.023 174.900 0.015 0.000 1.318 670 G CA -0.173 44.932 45.100 0.007 0.000 1.016 670 G HN 0.767 nan 8.290 nan 0.000 0.469 671 N N 1.870 120.584 118.700 0.024 0.000 2.819 671 N HA 0.153 4.944 4.740 0.085 0.000 0.284 671 N C 1.756 177.298 175.510 0.053 0.000 1.196 671 N CA -0.374 52.694 53.050 0.030 0.000 1.114 671 N CB -0.328 38.180 38.487 0.035 0.000 1.437 671 N HN 0.394 nan 8.380 nan 0.000 0.518 672 I N 0.785 121.374 120.570 0.031 0.000 2.454 672 I HA -0.196 4.025 4.170 0.085 0.000 0.254 672 I C 1.948 178.059 176.117 -0.010 0.000 1.156 672 I CA 0.612 61.928 61.300 0.026 0.000 1.433 672 I CB -1.417 36.562 38.000 -0.035 0.000 1.082 672 I HN 0.434 nan 8.210 nan 0.000 0.432 673 A N 0.512 123.323 122.820 -0.016 0.000 2.070 673 A HA -0.245 4.125 4.320 0.085 0.000 0.220 673 A C 2.036 179.638 177.584 0.030 0.000 1.159 673 A CA 1.775 53.802 52.037 -0.018 0.000 0.656 673 A CB -0.650 18.340 19.000 -0.016 0.000 0.800 673 A HN 0.408 nan 8.150 nan 0.000 0.453 674 D N 0.107 120.552 120.400 0.075 0.000 2.219 674 D HA -0.112 4.578 4.640 0.085 0.000 0.205 674 D C 1.485 177.874 176.300 0.148 0.000 0.970 674 D CA 1.612 55.684 54.000 0.121 0.000 0.851 674 D CB -0.128 40.777 40.800 0.176 0.000 0.943 674 D HN 0.654 nan 8.370 nan 0.000 0.488 675 I N -4.715 115.953 120.570 0.164 0.000 4.592 675 I HA 0.461 4.682 4.170 0.085 0.000 0.329 675 I C 1.987 178.230 176.117 0.210 0.000 1.309 675 I CA -0.039 61.395 61.300 0.223 0.000 1.243 675 I CB -0.176 38.024 38.000 0.334 0.000 1.241 675 I HN -0.116 nan 8.210 nan 0.000 0.434 676 A N 1.813 124.654 122.820 0.035 0.000 1.971 676 A HA -0.260 4.111 4.320 0.085 0.000 0.222 676 A C 1.558 179.121 177.584 -0.035 0.000 1.182 676 A CA 2.672 54.595 52.037 -0.190 0.000 0.649 676 A CB -0.635 18.230 19.000 -0.225 0.000 0.818 676 A HN 0.573 nan 8.150 nan 0.000 0.458 677 D N -1.318 119.096 120.400 0.023 0.000 2.431 677 D HA 0.065 4.756 4.640 0.085 0.000 0.213 677 D C -0.017 176.319 176.300 0.059 0.000 1.130 677 D CA -0.233 53.786 54.000 0.031 0.000 0.834 677 D CB -0.206 40.600 40.800 0.011 0.000 0.985 677 D HN 0.319 nan 8.370 nan 0.000 0.504 678 N N 1.048 119.802 118.700 0.090 0.000 2.416 678 N HA 0.022 4.813 4.740 0.085 0.000 0.265 678 N C 1.420 176.976 175.510 0.078 0.000 1.195 678 N CA 0.132 53.236 53.050 0.089 0.000 0.943 678 N CB 1.347 39.910 38.487 0.126 0.000 1.115 678 N HN 0.048 nan 8.380 nan 0.000 0.481 679 G N 3.451 112.292 108.800 0.068 0.000 2.469 679 G HA2 -0.282 3.729 3.960 0.085 0.000 0.219 679 G HA3 -0.282 3.729 3.960 0.085 0.000 0.219 679 G C 1.012 175.964 174.900 0.088 0.000 1.150 679 G CA 0.610 45.751 45.100 0.068 0.000 0.763 679 G HN 0.575 nan 8.290 nan 0.000 0.561 680 D N 0.792 121.249 120.400 0.096 0.000 2.117 680 D HA -0.008 4.683 4.640 0.085 0.000 0.197 680 D C 2.806 179.101 176.300 -0.008 0.000 0.987 680 D CA 1.229 55.314 54.000 0.141 0.000 0.829 680 D CB -0.437 40.513 40.800 0.251 0.000 0.961 680 D HN 0.314 nan 8.370 nan 0.000 0.460 681 A N 0.994 123.660 122.820 -0.258 0.000 1.873 681 A HA -0.180 4.190 4.320 0.085 0.000 0.215 681 A C 2.014 179.401 177.584 -0.327 0.000 1.186 681 A CA 1.242 52.912 52.037 -0.613 0.000 0.616 681 A CB -0.502 18.155 19.000 -0.573 0.000 0.823 681 A HN 0.146 nan 8.150 nan 0.000 0.442 682 N N -1.388 117.271 118.700 -0.069 0.000 2.104 682 N HA -0.211 4.580 4.740 0.085 0.000 0.190 682 N C 1.679 177.173 175.510 -0.026 0.000 1.024 682 N CA 1.930 54.984 53.050 0.007 0.000 0.853 682 N CB -0.498 38.059 38.487 0.117 0.000 1.008 682 N HN 0.707 nan 8.380 nan 0.000 0.424 683 Y N 0.385 120.645 120.300 -0.066 0.000 2.242 683 Y HA -0.232 4.369 4.550 0.084 0.000 0.291 683 Y C 2.406 178.251 175.900 -0.091 0.000 1.137 683 Y CA 1.067 59.126 58.100 -0.068 0.000 1.181 683 Y CB -0.363 38.067 38.460 -0.050 0.000 0.989 683 Y HN 0.001 nan 8.280 nan 0.000 0.527 684 Y N 0.455 120.623 120.300 -0.220 0.000 2.114 684 Y HA -0.339 4.261 4.550 0.085 0.000 0.282 684 Y C 2.076 177.772 175.900 -0.340 0.000 1.165 684 Y CA 2.214 60.155 58.100 -0.266 0.000 1.148 684 Y CB -0.485 37.806 38.460 -0.281 0.000 0.972 684 Y HN 0.139 nan 8.280 nan 0.000 0.504 685 L N -1.296 119.839 121.223 -0.147 0.000 2.131 685 L HA -0.216 4.175 4.340 0.085 0.000 0.206 685 L C 2.407 179.148 176.870 -0.215 0.000 1.087 685 L CA 1.089 55.825 54.840 -0.172 0.000 0.767 685 L CB -0.456 41.456 42.059 -0.246 0.000 0.917 685 L HN 0.284 nan 8.230 nan 0.000 0.441 686 M N -0.419 119.003 119.600 -0.297 0.000 2.080 686 M HA -0.266 4.265 4.480 0.085 0.000 0.260 686 M C 2.243 178.284 176.300 -0.432 0.000 1.068 686 M CA 1.867 56.978 55.300 -0.316 0.000 1.109 686 M CB -0.378 32.038 32.600 -0.307 0.000 1.342 686 M HN 0.207 nan 8.290 nan 0.000 0.405 687 E N 0.309 120.060 120.200 -0.748 0.000 2.072 687 E HA -0.177 4.224 4.350 0.085 0.000 0.191 687 E C 1.992 178.222 176.600 -0.616 0.000 0.985 687 E CA 1.235 57.154 56.400 -0.802 0.000 0.801 687 E CB 0.007 29.197 29.700 -0.850 0.000 0.750 687 E HN 0.481 nan 8.360 nan 0.000 0.452 688 A N 0.270 122.854 122.820 -0.394 0.000 1.933 688 A HA -0.208 4.163 4.320 0.085 0.000 0.218 688 A C 2.024 179.506 177.584 -0.170 0.000 1.175 688 A CA 1.467 53.368 52.037 -0.227 0.000 0.628 688 A CB -0.870 18.055 19.000 -0.126 0.000 0.814 688 A HN 0.551 nan 8.150 nan 0.000 0.444 689 Y N 0.544 120.682 120.300 -0.270 0.000 2.133 689 Y HA -0.193 4.408 4.550 0.085 0.000 0.287 689 Y C 2.399 178.172 175.900 -0.211 0.000 1.134 689 Y CA 2.320 60.292 58.100 -0.212 0.000 1.133 689 Y CB -0.279 38.071 38.460 -0.184 0.000 0.987 689 Y HN 0.318 nan 8.280 nan 0.000 0.502 690 K N -0.603 119.686 120.400 -0.186 0.000 2.113 690 K HA -0.247 4.124 4.320 0.085 0.000 0.208 690 K C 1.189 177.674 176.600 -0.192 0.000 1.047 690 K CA 2.147 58.291 56.287 -0.239 0.000 0.928 690 K CB -0.480 31.837 32.500 -0.305 0.000 0.716 690 K HN 0.598 nan 8.250 nan 0.000 0.446 691 H N 0.188 119.138 119.070 -0.201 0.000 2.536 691 H HA 0.168 4.775 4.556 0.085 0.000 0.276 691 H C 0.057 175.222 175.328 -0.272 0.000 1.019 691 H CA 0.294 56.219 56.048 -0.206 0.000 1.159 691 H CB 0.112 29.752 29.762 -0.204 0.000 1.373 691 H HN 0.135 nan 8.280 nan 0.000 0.584 692 L N -0.250 120.824 121.223 -0.248 0.000 4.351 692 L HA -0.266 4.124 4.340 0.085 0.000 0.410 692 L C -0.313 176.301 176.870 -0.427 0.000 1.150 692 L CA 0.524 55.129 54.840 -0.392 0.000 0.961 692 L CB -1.701 40.102 42.059 -0.425 0.000 2.130 692 L HN 0.287 nan 8.230 nan 0.000 0.787 693 K N 0.947 121.164 120.400 -0.306 0.000 2.218 693 K HA 0.436 4.807 4.320 0.085 0.000 0.276 693 K C -2.129 174.340 176.600 -0.218 0.000 1.022 693 K CA -1.761 54.367 56.287 -0.266 0.000 0.946 693 K CB 0.542 32.939 32.500 -0.172 0.000 1.000 693 K HN -0.213 nan 8.250 nan 0.000 0.468 694 P HA 0.026 nan 4.420 nan 0.000 0.265 694 P C -0.765 176.469 177.300 -0.109 0.000 1.193 694 P CA 0.474 63.476 63.100 -0.164 0.000 0.765 694 P CB 0.420 32.022 31.700 -0.163 0.000 0.823 695 I N 1.922 122.439 120.570 -0.088 0.000 2.533 695 I HA 0.595 4.816 4.170 0.085 0.000 0.290 695 I C -0.331 175.736 176.117 -0.083 0.000 1.056 695 I CA -0.853 60.414 61.300 -0.055 0.000 1.057 695 I CB 2.209 40.203 38.000 -0.010 0.000 1.240 695 I HN 0.255 nan 8.210 nan 0.000 0.423 696 A N 7.672 130.450 122.820 -0.071 0.000 2.330 696 A HA 0.890 5.261 4.320 0.085 0.000 0.313 696 A C -1.071 176.607 177.584 0.157 0.000 1.124 696 A CA -0.441 51.530 52.037 -0.110 0.000 0.774 696 A CB 0.928 19.709 19.000 -0.364 0.000 1.198 696 A HN 0.664 nan 8.150 nan 0.000 0.465 697 L N 2.128 123.499 121.223 0.247 0.000 2.356 697 L HA 0.739 5.130 4.340 0.085 0.000 0.277 697 L C 0.226 177.310 176.870 0.356 0.000 0.996 697 L CA -0.567 54.436 54.840 0.271 0.000 0.822 697 L CB 2.014 44.178 42.059 0.174 0.000 1.256 697 L HN 0.765 nan 8.230 nan 0.000 0.413 698 A N 2.230 125.162 122.820 0.187 0.000 2.330 698 A HA 0.862 5.233 4.320 0.085 0.000 0.327 698 A C 0.594 178.166 177.584 -0.019 0.000 1.155 698 A CA 0.252 52.259 52.037 -0.050 0.000 0.803 698 A CB 1.208 19.991 19.000 -0.361 0.000 1.208 698 A HN 0.997 nan 8.150 nan 0.000 0.477 699 G N 1.975 110.756 108.800 -0.032 0.000 2.611 699 G HA2 -0.326 3.684 3.960 0.085 0.000 0.301 699 G HA3 -0.326 3.684 3.960 0.085 0.000 0.301 699 G C 0.475 175.374 174.900 -0.001 0.000 1.233 699 G CA 0.835 45.919 45.100 -0.026 0.000 0.993 699 G HN 0.706 nan 8.290 nan 0.000 0.553 700 D N 1.394 121.790 120.400 -0.007 0.000 2.378 700 D HA 0.257 4.948 4.640 0.085 0.000 0.222 700 D C 2.511 178.809 176.300 -0.004 0.000 0.980 700 D CA 1.487 55.477 54.000 -0.016 0.000 0.907 700 D CB -0.571 40.212 40.800 -0.027 0.000 0.899 700 D HN 0.795 nan 8.370 nan 0.000 0.527 701 A N 0.328 123.185 122.820 0.062 0.000 2.121 701 A HA -0.125 4.246 4.320 0.085 0.000 0.218 701 A C 2.003 179.691 177.584 0.173 0.000 1.154 701 A CA 0.592 52.737 52.037 0.180 0.000 0.679 701 A CB -0.303 18.828 19.000 0.218 0.000 0.795 701 A HN 0.115 nan 8.150 nan 0.000 0.458 702 R N -0.669 119.883 120.500 0.087 0.000 2.341 702 R HA -0.069 4.322 4.340 0.085 0.000 0.213 702 R C 1.392 177.699 176.300 0.012 0.000 1.082 702 R CA 0.849 56.989 56.100 0.066 0.000 1.017 702 R CB -0.063 30.264 30.300 0.045 0.000 0.860 702 R HN 0.197 nan 8.270 nan 0.000 0.473 703 K N 0.075 120.436 120.400 -0.066 0.000 2.147 703 K HA -0.098 4.273 4.320 0.085 0.000 0.205 703 K C 1.256 177.754 176.600 -0.170 0.000 1.049 703 K CA 1.316 57.505 56.287 -0.163 0.000 0.936 703 K CB -0.279 32.055 32.500 -0.276 0.000 0.722 703 K HN 0.184 nan 8.250 nan 0.000 0.446 704 F N 0.975 120.901 119.950 -0.041 0.000 2.451 704 F HA -0.114 4.464 4.527 0.085 0.000 0.299 704 F C 1.755 177.507 175.800 -0.081 0.000 1.101 704 F CA 0.636 58.599 58.000 -0.061 0.000 1.436 704 F CB -0.039 38.924 39.000 -0.061 0.000 1.074 704 F HN -0.015 nan 8.300 nan 0.000 0.553 705 K N 0.312 120.759 120.400 0.078 0.000 2.173 705 K HA -0.232 4.139 4.320 0.085 0.000 0.207 705 K C 2.232 178.807 176.600 -0.042 0.000 1.046 705 K CA 1.211 57.496 56.287 -0.003 0.000 0.929 705 K CB -0.344 32.151 32.500 -0.009 0.000 0.720 705 K HN 0.276 nan 8.250 nan 0.000 0.453 706 A N 0.443 123.245 122.820 -0.031 0.000 2.015 706 A HA -0.104 4.266 4.320 0.085 0.000 0.219 706 A C 2.030 179.586 177.584 -0.048 0.000 1.163 706 A CA 1.661 53.672 52.037 -0.044 0.000 0.646 706 A CB -0.527 18.446 19.000 -0.045 0.000 0.806 706 A HN 0.244 nan 8.150 nan 0.000 0.448 707 T N 0.630 115.170 114.554 -0.023 0.000 2.904 707 T HA -0.017 4.384 4.350 0.085 0.000 0.267 707 T C 1.449 176.083 174.700 -0.111 0.000 1.059 707 T CA 1.414 63.499 62.100 -0.025 0.000 1.137 707 T CB -0.414 68.483 68.868 0.050 0.000 0.879 707 T HN 0.712 nan 8.240 nan 0.000 0.467 708 I N -2.087 118.363 120.570 -0.201 0.000 3.904 708 I HA 0.369 4.590 4.170 0.085 0.000 0.333 708 I C -0.401 175.470 176.117 -0.410 0.000 1.361 708 I CA -0.506 60.529 61.300 -0.442 0.000 1.116 708 I CB -0.086 37.470 38.000 -0.740 0.000 1.028 708 I HN -0.191 nan 8.210 nan 0.000 0.398 709 K N 1.944 122.223 120.400 -0.202 0.000 3.148 709 K HA -0.125 4.246 4.320 0.085 0.000 0.267 709 K C -0.360 176.174 176.600 -0.110 0.000 0.996 709 K CA 0.565 56.778 56.287 -0.122 0.000 0.737 709 K CB -1.844 30.607 32.500 -0.081 0.000 1.308 709 K HN 0.438 nan 8.250 nan 0.000 0.470 710 I N 0.369 120.871 120.570 -0.114 0.000 2.342 710 I HA 0.258 4.478 4.170 0.085 0.000 0.291 710 I C 1.434 177.533 176.117 -0.030 0.000 1.010 710 I CA -1.115 60.147 61.300 -0.064 0.000 1.308 710 I CB 0.651 38.614 38.000 -0.062 0.000 1.400 710 I HN 0.264 nan 8.210 nan 0.000 0.488 711 A N 5.349 128.162 122.820 -0.012 0.000 2.448 711 A HA 0.064 4.434 4.320 0.085 0.000 0.239 711 A C 1.117 178.698 177.584 -0.005 0.000 1.080 711 A CA -0.141 51.893 52.037 -0.006 0.000 0.779 711 A CB 0.121 19.121 19.000 0.001 0.000 1.026 711 A HN 0.759 nan 8.150 nan 0.000 0.499 712 D N 0.361 120.759 120.400 -0.004 0.000 2.178 712 D HA -0.165 4.526 4.640 0.085 0.000 0.201 712 D C 1.806 178.108 176.300 0.003 0.000 0.980 712 D CA 2.005 56.004 54.000 -0.002 0.000 0.842 712 D CB -0.171 40.627 40.800 -0.003 0.000 0.948 712 D HN 0.812 nan 8.370 nan 0.000 0.472 713 Q N 0.413 120.215 119.800 0.004 0.000 2.515 713 Q HA 0.287 4.678 4.340 0.085 0.000 0.212 713 Q C 1.072 177.076 176.000 0.007 0.000 0.970 713 Q CA 0.528 56.335 55.803 0.006 0.000 0.941 713 Q CB 0.003 28.745 28.738 0.006 0.000 0.998 713 Q HN 0.111 nan 8.270 nan 0.000 0.518 714 G N 0.709 109.513 108.800 0.007 0.000 2.760 714 G HA2 -0.263 3.748 3.960 0.085 0.000 0.246 714 G HA3 -0.263 3.748 3.960 0.085 0.000 0.246 714 G C -1.125 173.781 174.900 0.010 0.000 1.359 714 G CA -0.235 44.870 45.100 0.009 0.000 0.861 714 G HN 0.379 nan 8.290 nan 0.000 0.541 715 E N -0.562 119.644 120.200 0.011 0.000 2.347 715 E HA 0.344 4.745 4.350 0.085 0.000 0.285 715 E C -0.446 176.153 176.600 -0.001 0.000 0.925 715 E CA -0.744 55.666 56.400 0.016 0.000 0.779 715 E CB 0.880 30.608 29.700 0.046 0.000 1.233 715 E HN 0.493 nan 8.360 nan 0.000 0.414 716 E N 1.762 121.953 120.200 -0.014 0.000 2.694 716 E HA 0.073 4.474 4.350 0.085 0.000 0.250 716 E C 0.780 177.344 176.600 -0.060 0.000 0.963 716 E CA 1.718 58.095 56.400 -0.038 0.000 0.949 716 E CB 0.824 30.501 29.700 -0.039 0.000 0.911 716 E HN 0.894 nan 8.360 nan 0.000 0.500 717 G N 3.096 111.846 108.800 -0.082 0.000 2.195 717 G HA2 -0.204 3.807 3.960 0.085 0.000 0.224 717 G HA3 -0.204 3.807 3.960 0.085 0.000 0.224 717 G C 0.169 175.020 174.900 -0.081 0.000 0.990 717 G CA -0.307 44.724 45.100 -0.114 0.000 0.639 717 G HN 0.428 nan 8.290 nan 0.000 0.514 718 I N 1.852 122.396 120.570 -0.043 0.000 2.355 718 I HA 0.511 4.731 4.170 0.085 0.000 0.288 718 I C 0.313 176.390 176.117 -0.068 0.000 0.999 718 I CA -1.096 60.185 61.300 -0.032 0.000 1.163 718 I CB 1.385 39.395 38.000 0.017 0.000 1.316 718 I HN -0.123 nan 8.210 nan 0.000 0.454 719 V N 7.209 127.044 119.914 -0.131 0.000 2.439 719 V HA 0.405 4.576 4.120 0.085 0.000 0.282 719 V C 0.157 176.197 176.094 -0.091 0.000 1.039 719 V CA -0.445 61.733 62.300 -0.204 0.000 0.913 719 V CB 1.504 33.040 31.823 -0.478 0.000 0.983 719 V HN 0.876 nan 8.190 nan 0.000 0.460 720 E N 4.285 124.507 120.200 0.038 0.000 2.331 720 E HA 0.886 5.287 4.350 0.085 0.000 0.275 720 E C -1.027 175.719 176.600 0.244 0.000 0.895 720 E CA -0.990 55.525 56.400 0.191 0.000 0.753 720 E CB 2.643 32.409 29.700 0.109 0.000 1.216 720 E HN 0.766 nan 8.360 nan 0.000 0.434 721 A N 1.875 124.871 122.820 0.294 0.000 2.601 721 A HA 0.353 4.723 4.320 0.085 0.000 0.291 721 A C -0.369 177.244 177.584 0.048 0.000 1.075 721 A CA -0.608 51.533 52.037 0.172 0.000 0.671 721 A CB 1.363 20.509 19.000 0.244 0.000 1.277 721 A HN 0.612 nan 8.150 nan 0.000 0.417 722 D N 0.463 120.869 120.400 0.009 0.000 2.133 722 D HA -0.030 4.661 4.640 0.085 0.000 0.195 722 D C 1.161 177.408 176.300 -0.088 0.000 0.997 722 D CA 2.513 56.496 54.000 -0.029 0.000 0.840 722 D CB 0.091 40.878 40.800 -0.021 0.000 0.947 722 D HN 0.808 nan 8.370 nan 0.000 0.452 723 S N -2.167 113.447 115.700 -0.144 0.000 2.685 723 S HA 0.648 5.168 4.470 0.085 0.000 0.282 723 S C 0.134 174.438 174.600 -0.494 0.000 1.159 723 S CA -0.299 57.751 58.200 -0.250 0.000 0.833 723 S CB 1.788 64.894 63.200 -0.156 0.000 1.151 723 S HN -0.039 nan 8.310 nan 0.000 0.485 724 A N 1.375 123.839 122.820 -0.594 0.000 2.268 724 A HA 0.187 4.558 4.320 0.085 0.000 0.221 724 A C 0.898 178.330 177.584 -0.253 0.000 1.287 724 A CA 0.214 51.774 52.037 -0.796 0.000 0.902 724 A CB -1.622 17.044 19.000 -0.557 0.000 0.877 724 A HN 0.898 nan 8.150 nan 0.000 0.487 725 D N -0.485 119.835 120.400 -0.133 0.000 2.123 725 D HA -0.134 4.556 4.640 0.085 0.000 0.230 725 D C 1.377 177.720 176.300 0.072 0.000 1.406 725 D CA 0.713 54.706 54.000 -0.011 0.000 0.896 725 D CB -0.004 40.800 40.800 0.006 0.000 1.365 725 D HN 0.060 nan 8.370 nan 0.000 0.543 726 G N -0.491 108.343 108.800 0.056 0.000 2.469 726 G HA2 -0.340 3.670 3.960 0.085 0.000 0.219 726 G HA3 -0.340 3.670 3.960 0.085 0.000 0.219 726 G C 1.721 176.672 174.900 0.086 0.000 1.150 726 G CA 1.510 46.649 45.100 0.064 0.000 0.763 726 G HN 0.585 nan 8.290 nan 0.000 0.561 727 S N -0.260 115.493 115.700 0.089 0.000 2.356 727 S HA -0.133 4.387 4.470 0.085 0.000 0.223 727 S C 2.070 176.745 174.600 0.126 0.000 1.032 727 S CA 1.502 59.755 58.200 0.088 0.000 1.005 727 S CB -0.458 62.786 63.200 0.073 0.000 0.867 727 S HN 0.390 nan 8.310 nan 0.000 0.449 728 F N 1.980 121.928 119.950 -0.003 0.000 2.065 728 F HA -0.162 4.416 4.527 0.085 0.000 0.298 728 F C 2.196 177.993 175.800 -0.005 0.000 1.112 728 F CA 2.033 60.031 58.000 -0.003 0.000 1.212 728 F CB -0.335 38.664 39.000 -0.002 0.000 0.975 728 F HN 0.211 nan 8.300 nan 0.000 0.476 729 M N 0.198 119.977 119.600 0.300 0.000 2.159 729 M HA -0.184 4.347 4.480 0.085 0.000 0.263 729 M C 1.774 178.081 176.300 0.011 0.000 1.063 729 M CA 1.428 56.807 55.300 0.133 0.000 1.110 729 M CB -1.387 31.315 32.600 0.169 0.000 1.374 729 M HN 0.148 nan 8.290 nan 0.000 0.411 730 D N 0.254 120.667 120.400 0.022 0.000 2.144 730 D HA -0.126 4.565 4.640 0.085 0.000 0.200 730 D C 1.994 178.269 176.300 -0.040 0.000 0.978 730 D CA 1.033 55.030 54.000 -0.005 0.000 0.833 730 D CB -0.075 40.730 40.800 0.009 0.000 0.961 730 D HN 0.457 nan 8.370 nan 0.000 0.470 731 E N 0.157 120.316 120.200 -0.068 0.000 2.047 731 E HA -0.115 4.286 4.350 0.085 0.000 0.191 731 E C 2.036 178.551 176.600 -0.142 0.000 0.987 731 E CA 0.223 56.562 56.400 -0.102 0.000 0.799 731 E CB -0.031 29.592 29.700 -0.128 0.000 0.752 731 E HN 0.126 nan 8.360 nan 0.000 0.449 732 L N 1.021 122.121 121.223 -0.204 0.000 2.017 732 L HA -0.164 4.227 4.340 0.085 0.000 0.208 732 L C 2.088 178.888 176.870 -0.117 0.000 1.073 732 L CA 1.629 56.346 54.840 -0.205 0.000 0.745 732 L CB -0.610 41.280 42.059 -0.283 0.000 0.894 732 L HN 0.241 nan 8.230 nan 0.000 0.432 733 L N -0.423 120.753 121.223 -0.079 0.000 2.131 733 L HA -0.203 4.187 4.340 0.085 0.000 0.210 733 L C 2.453 179.298 176.870 -0.041 0.000 1.092 733 L CA 1.536 56.348 54.840 -0.047 0.000 0.759 733 L CB -0.741 41.303 42.059 -0.026 0.000 0.903 733 L HN 0.254 nan 8.230 nan 0.000 0.435 734 T N 0.143 114.670 114.554 -0.046 0.000 2.746 734 T HA -0.164 4.237 4.350 0.085 0.000 0.267 734 T C 1.932 176.601 174.700 -0.052 0.000 1.039 734 T CA 1.233 63.310 62.100 -0.038 0.000 1.142 734 T CB -0.215 68.630 68.868 -0.037 0.000 0.866 734 T HN 0.208 nan 8.240 nan 0.000 0.444 735 L N 0.105 121.277 121.223 -0.084 0.000 2.093 735 L HA -0.037 4.354 4.340 0.085 0.000 0.208 735 L C 2.690 179.496 176.870 -0.108 0.000 1.085 735 L CA 1.183 55.954 54.840 -0.116 0.000 0.755 735 L CB -0.525 41.445 42.059 -0.149 0.000 0.904 735 L HN 0.299 nan 8.230 nan 0.000 0.435 736 M N -0.666 118.888 119.600 -0.078 0.000 2.175 736 M HA -0.161 4.370 4.480 0.085 0.000 0.264 736 M C 2.440 178.742 176.300 0.004 0.000 1.063 736 M CA 1.709 56.982 55.300 -0.045 0.000 1.119 736 M CB -0.416 32.167 32.600 -0.029 0.000 1.377 736 M HN 0.310 nan 8.290 nan 0.000 0.415 737 A N 0.083 122.907 122.820 0.006 0.000 2.067 737 A HA 0.059 4.430 4.320 0.085 0.000 0.219 737 A C 2.104 179.733 177.584 0.074 0.000 1.158 737 A CA 1.626 53.688 52.037 0.041 0.000 0.661 737 A CB -0.609 18.409 19.000 0.029 0.000 0.801 737 A HN 0.500 nan 8.150 nan 0.000 0.452 738 A N -2.664 120.179 122.820 0.037 0.000 2.275 738 A HA 0.360 4.731 4.320 0.085 0.000 0.212 738 A C 0.929 178.546 177.584 0.054 0.000 1.201 738 A CA 1.253 53.328 52.037 0.062 0.000 0.843 738 A CB -0.414 18.580 19.000 -0.012 0.000 0.873 738 A HN 0.961 nan 8.150 nan 0.000 0.492 739 H N -1.353 117.656 119.070 -0.103 0.000 4.806 739 H HA -0.174 4.433 4.556 0.085 0.000 0.061 739 H C 0.083 175.191 175.328 -0.367 0.000 0.604 739 H CA 2.303 58.274 56.048 -0.127 0.000 0.938 739 H CB -0.649 29.141 29.762 0.046 0.000 0.431 739 H HN 0.454 nan 8.280 nan 0.000 0.803 740 R N -0.275 119.647 120.500 -0.964 0.000 2.855 740 R HA 0.643 5.034 4.340 0.085 0.000 0.266 740 R C -0.645 174.813 176.300 -1.404 0.000 1.034 740 R CA -0.317 55.003 56.100 -1.300 0.000 0.944 740 R CB 1.730 30.967 30.300 -1.771 0.000 1.219 740 R HN 0.073 nan 8.270 nan 0.000 0.474 741 V N 2.138 121.446 119.914 -1.011 0.000 2.221 741 V HA 0.117 4.288 4.120 0.085 0.000 0.258 741 V C 0.615 176.331 176.094 -0.630 0.000 1.179 741 V CA -0.472 61.412 62.300 -0.693 0.000 1.022 741 V CB -0.155 31.406 31.823 -0.437 0.000 1.228 741 V HN 0.723 nan 8.190 nan 0.000 0.487 742 W N 1.652 122.669 121.300 -0.471 0.000 2.392 742 W HA -0.174 4.537 4.660 0.084 0.000 0.279 742 W C 2.522 178.828 176.519 -0.356 0.000 1.225 742 W CA 0.867 57.843 57.345 -0.615 0.000 1.233 742 W CB -0.394 28.283 29.460 -1.304 0.000 1.122 742 W HN 0.658 nan 8.180 nan 0.000 0.561 743 S N 0.766 116.420 115.700 -0.078 0.000 2.474 743 S HA -0.154 4.367 4.470 0.085 0.000 0.235 743 S C 1.711 176.273 174.600 -0.064 0.000 0.997 743 S CA 0.880 59.055 58.200 -0.042 0.000 0.949 743 S CB -0.428 62.747 63.200 -0.041 0.000 0.766 743 S HN 0.404 nan 8.310 nan 0.000 0.517 744 R N 0.617 121.035 120.500 -0.137 0.000 2.307 744 R HA 0.239 4.630 4.340 0.085 0.000 0.199 744 R C 1.736 177.967 176.300 -0.116 0.000 1.000 744 R CA 0.435 56.431 56.100 -0.173 0.000 1.023 744 R CB -0.384 29.699 30.300 -0.361 0.000 0.908 744 R HN 0.494 nan 8.270 nan 0.000 0.473 745 I N 1.474 122.017 120.570 -0.044 0.000 2.208 745 I HA -0.212 4.009 4.170 0.085 0.000 0.245 745 I C -0.835 175.305 176.117 0.038 0.000 1.097 745 I CA 1.215 62.531 61.300 0.027 0.000 1.363 745 I CB -0.813 37.252 38.000 0.108 0.000 1.051 745 I HN 0.136 nan 8.210 nan 0.000 0.413 746 P HA -0.147 nan 4.420 nan 0.000 0.222 746 P C 1.102 178.428 177.300 0.044 0.000 1.147 746 P CA 1.390 64.517 63.100 0.045 0.000 0.790 746 P CB -0.018 31.706 31.700 0.041 0.000 0.780 747 K N -0.677 119.743 120.400 0.034 0.000 2.356 747 K HA 0.101 4.472 4.320 0.085 0.000 0.195 747 K C 1.893 178.551 176.600 0.096 0.000 1.037 747 K CA 0.440 56.770 56.287 0.072 0.000 1.014 747 K CB -0.284 32.280 32.500 0.107 0.000 0.815 747 K HN 0.259 nan 8.250 nan 0.000 0.507 748 I N -1.171 119.424 120.570 0.041 0.000 2.546 748 I HA -0.113 4.107 4.170 0.085 0.000 0.255 748 I C 1.058 177.217 176.117 0.070 0.000 1.163 748 I CA 1.147 62.477 61.300 0.049 0.000 1.457 748 I CB -0.137 37.844 38.000 -0.031 0.000 1.092 748 I HN -0.091 nan 8.210 nan 0.000 0.434 749 D N 2.155 122.596 120.400 0.068 0.000 2.265 749 D HA -0.166 4.525 4.640 0.085 0.000 0.208 749 D C 1.895 178.234 176.300 0.065 0.000 0.977 749 D CA 1.331 55.373 54.000 0.070 0.000 0.871 749 D CB -0.002 40.840 40.800 0.070 0.000 0.925 749 D HN 0.445 nan 8.370 nan 0.000 0.485 750 K N 0.232 120.672 120.400 0.066 0.000 2.211 750 K HA 0.162 4.533 4.320 0.085 0.000 0.201 750 K C 1.077 177.708 176.600 0.051 0.000 1.052 750 K CA -0.143 56.177 56.287 0.055 0.000 0.973 750 K CB 0.477 33.008 32.500 0.051 0.000 0.766 750 K HN 0.130 nan 8.250 nan 0.000 0.466 751 I N 4.066 124.674 120.570 0.063 0.000 2.533 751 I HA 0.059 4.280 4.170 0.085 0.000 0.284 751 I C -2.193 173.951 176.117 0.045 0.000 1.109 751 I CA -1.919 59.410 61.300 0.049 0.000 1.412 751 I CB 0.833 38.875 38.000 0.071 0.000 1.396 751 I HN 0.042 nan 8.210 nan 0.000 0.543 752 P HA 0.352 nan 4.420 nan 0.000 0.266 752 P C -1.010 176.342 177.300 0.086 0.000 1.586 752 P CA -0.142 62.992 63.100 0.057 0.000 1.088 752 P CB 0.704 32.435 31.700 0.051 0.000 1.584 753 A N 0.000 122.869 122.820 0.082 0.000 2.254 753 A HA 0.000 4.371 4.320 0.085 0.000 0.244 753 A CA 0.000 52.113 52.037 0.126 0.000 0.836 753 A CB 0.000 18.944 19.000 -0.093 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486