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 3pq4_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 TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG 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 PAGNIADIAD 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 0.000 174.564 174.600 -0.061 0.000 1.055 28 S CA 0.000 58.172 58.200 -0.047 0.000 1.107 28 S CB 0.000 63.172 63.200 -0.047 0.000 0.593 29 L N 2.791 123.969 121.223 -0.075 0.000 2.416 29 L HA 0.446 4.819 4.340 0.055 0.000 0.216 29 L C 1.577 178.368 176.870 -0.131 0.000 1.098 29 L CA 0.500 55.291 54.840 -0.081 0.000 0.840 29 L CB -0.546 41.475 42.059 -0.062 0.000 0.981 29 L HN 0.783 nan 8.230 nan 0.000 0.462 30 A N 1.662 124.351 122.820 -0.219 0.000 2.425 30 A HA 0.330 4.683 4.320 0.055 0.000 0.242 30 A C -2.030 175.405 177.584 -0.249 0.000 1.077 30 A CA -0.829 50.958 52.037 -0.417 0.000 0.781 30 A CB -0.616 17.861 19.000 -0.871 0.000 1.020 30 A HN -0.006 nan 8.150 nan 0.000 0.494 31 P HA 0.113 nan 4.420 nan 0.000 0.271 31 P C 0.338 177.623 177.300 -0.024 0.000 1.216 31 P CA -0.126 62.941 63.100 -0.056 0.000 0.776 31 P CB 0.956 32.665 31.700 0.014 0.000 0.881 32 E N 2.493 122.686 120.200 -0.013 0.000 2.136 32 E HA -0.266 4.118 4.350 0.055 0.000 0.208 32 E C 1.134 177.754 176.600 0.033 0.000 1.035 32 E CA 2.336 58.740 56.400 0.006 0.000 0.838 32 E CB -0.602 29.099 29.700 0.002 0.000 0.748 32 E HN 0.616 nan 8.360 nan 0.000 0.459 33 D N -1.783 118.642 120.400 0.042 0.000 2.363 33 D HA 0.050 4.723 4.640 0.055 0.000 0.226 33 D C 1.251 177.599 176.300 0.079 0.000 1.020 33 D CA 0.935 54.965 54.000 0.049 0.000 0.892 33 D CB -0.426 40.396 40.800 0.037 0.000 0.900 33 D HN 0.296 nan 8.370 nan 0.000 0.531 34 G N 0.432 109.319 108.800 0.145 0.000 2.166 34 G HA2 -0.366 3.628 3.960 0.055 0.000 0.260 34 G HA3 -0.366 3.628 3.960 0.055 0.000 0.260 34 G C 1.015 176.001 174.900 0.143 0.000 0.986 34 G CA 0.896 46.130 45.100 0.224 0.000 0.683 34 G HN 0.727 nan 8.290 nan 0.000 0.527 35 S N 0.554 116.345 115.700 0.152 0.000 2.660 35 S HA -0.014 4.489 4.470 0.055 0.000 0.228 35 S C 1.898 176.554 174.600 0.092 0.000 0.966 35 S CA 1.079 59.325 58.200 0.077 0.000 0.940 35 S CB -0.528 62.710 63.200 0.064 0.000 0.773 35 S HN 0.920 nan 8.310 nan 0.000 0.535 36 H N 0.880 119.957 119.070 0.011 0.000 2.502 36 H HA 0.259 4.848 4.556 0.055 0.000 0.283 36 H C 0.830 176.170 175.328 0.020 0.000 1.015 36 H CA 0.365 56.421 56.048 0.013 0.000 1.298 36 H CB -0.326 29.442 29.762 0.011 0.000 1.411 36 H HN 0.358 nan 8.280 nan 0.000 0.556 37 R N 2.235 122.429 120.500 -0.511 0.000 2.338 37 R HA 0.370 4.743 4.340 0.055 0.000 0.317 37 R C -2.676 173.532 176.300 -0.152 0.000 0.968 37 R CA -2.031 53.844 56.100 -0.375 0.000 0.849 37 R CB 1.005 31.003 30.300 -0.502 0.000 1.128 37 R HN 0.100 nan 8.270 nan 0.000 0.448 38 P HA 0.150 nan 4.420 nan 0.000 0.271 38 P C -1.064 176.228 177.300 -0.014 0.000 1.216 38 P CA -0.349 62.742 63.100 -0.016 0.000 0.776 38 P CB 1.176 32.891 31.700 0.025 0.000 0.881 39 A N 2.929 125.747 122.820 -0.004 0.000 2.540 39 A HA 0.372 4.725 4.320 0.055 0.000 0.239 39 A C 0.855 178.449 177.584 0.017 0.000 1.061 39 A CA 0.152 52.190 52.037 0.002 0.000 0.758 39 A CB -0.426 18.578 19.000 0.006 0.000 0.991 39 A HN 0.577 nan 8.150 nan 0.000 0.502 40 A N 3.192 126.022 122.820 0.017 0.000 3.118 40 A HA 0.508 4.861 4.320 0.055 0.000 0.256 40 A C 0.294 177.896 177.584 0.030 0.000 1.667 40 A CA 0.099 52.152 52.037 0.027 0.000 1.338 40 A CB -0.834 18.179 19.000 0.022 0.000 1.127 40 A HN 0.901 nan 8.150 nan 0.000 0.634 41 E N -0.124 120.096 120.200 0.033 0.000 2.390 41 E HA 0.505 4.888 4.350 0.055 0.000 0.280 41 E C -3.264 173.358 176.600 0.037 0.000 0.992 41 E CA -2.431 53.990 56.400 0.034 0.000 0.790 41 E CB 1.267 30.981 29.700 0.025 0.000 1.248 41 E HN 0.097 nan 8.360 nan 0.000 0.447 42 P HA 0.045 nan 4.420 nan 0.000 0.267 42 P C -0.545 176.762 177.300 0.013 0.000 1.205 42 P CA 0.189 63.305 63.100 0.026 0.000 0.765 42 P CB 0.652 32.355 31.700 0.006 0.000 0.828 43 T N 0.502 115.059 114.554 0.005 0.000 2.909 43 T HA 0.605 4.988 4.350 0.055 0.000 0.299 43 T C -2.966 171.703 174.700 -0.052 0.000 1.073 43 T CA -2.580 59.516 62.100 -0.007 0.000 0.999 43 T CB 1.533 70.404 68.868 0.005 0.000 1.098 43 T HN 0.078 nan 8.240 nan 0.000 0.477 44 P HA 0.383 nan 4.420 nan 0.000 0.273 44 P C -2.712 174.443 177.300 -0.241 0.000 1.250 44 P CA -1.597 61.341 63.100 -0.270 0.000 0.793 44 P CB -0.946 30.662 31.700 -0.153 0.000 1.011 45 P HA 0.089 nan 4.420 nan 0.000 0.265 45 P C 1.013 178.272 177.300 -0.069 0.000 1.193 45 P CA 1.281 64.287 63.100 -0.156 0.000 0.765 45 P CB -0.114 31.496 31.700 -0.149 0.000 0.823 46 G N 2.616 111.403 108.800 -0.021 0.000 2.212 46 G HA2 -0.357 3.636 3.960 0.055 0.000 0.266 46 G HA3 -0.357 3.636 3.960 0.055 0.000 0.266 46 G C 1.132 176.032 174.900 0.000 0.000 0.978 46 G CA 0.460 45.559 45.100 -0.001 0.000 0.632 46 G HN 0.674 nan 8.290 nan 0.000 0.537 47 A N -1.261 121.554 122.820 -0.008 0.000 2.016 47 A HA 0.433 4.786 4.320 0.055 0.000 0.217 47 A C 1.340 178.928 177.584 0.007 0.000 1.162 47 A CA 1.899 53.935 52.037 -0.001 0.000 0.662 47 A CB 0.043 19.040 19.000 -0.005 0.000 0.812 47 A HN 0.488 nan 8.150 nan 0.000 0.450 48 Q N -0.980 118.827 119.800 0.013 0.000 2.456 48 Q HA 0.435 4.808 4.340 0.055 0.000 0.283 48 Q C -2.950 173.066 176.000 0.027 0.000 1.084 48 Q CA -1.989 53.825 55.803 0.019 0.000 0.801 48 Q CB 1.144 29.896 28.738 0.024 0.000 1.434 48 Q HN 0.068 nan 8.270 nan 0.000 0.419 49 P HA 0.054 nan 4.420 nan 0.000 0.269 49 P C -0.276 177.057 177.300 0.055 0.000 1.209 49 P CA 0.004 63.121 63.100 0.027 0.000 0.776 49 P CB 0.271 31.984 31.700 0.022 0.000 0.876 50 T N -0.813 113.774 114.554 0.055 0.000 2.813 50 T HA 0.621 5.004 4.350 0.055 0.000 0.297 50 T C -0.055 174.736 174.700 0.152 0.000 1.036 50 T CA -0.513 61.671 62.100 0.141 0.000 1.044 50 T CB 0.689 69.593 68.868 0.060 0.000 0.993 50 T HN 0.565 nan 8.240 nan 0.000 0.535 51 A N 1.767 124.781 122.820 0.323 0.000 2.594 51 A HA 0.783 5.136 4.320 0.055 0.000 0.291 51 A C -3.021 174.834 177.584 0.452 0.000 1.105 51 A CA -2.028 50.173 52.037 0.273 0.000 0.694 51 A CB 0.740 19.847 19.000 0.178 0.000 1.291 51 A HN 0.669 nan 8.150 nan 0.000 0.410 52 P HA 0.135 nan 4.420 nan 0.000 0.266 52 P C 1.169 178.620 177.300 0.251 0.000 1.195 52 P CA 0.814 64.132 63.100 0.362 0.000 0.768 52 P CB 0.583 32.417 31.700 0.223 0.000 0.838 53 G N 2.079 110.988 108.800 0.181 0.000 2.442 53 G HA2 -0.269 3.724 3.960 0.055 0.000 0.219 53 G HA3 -0.269 3.724 3.960 0.055 0.000 0.219 53 G C 1.515 176.431 174.900 0.028 0.000 1.141 53 G CA 1.056 46.176 45.100 0.034 0.000 0.763 53 G HN 0.590 nan 8.290 nan 0.000 0.554 54 S N 0.049 115.771 115.700 0.037 0.000 2.453 54 S HA 0.143 4.646 4.470 0.055 0.000 0.231 54 S C 2.223 176.842 174.600 0.032 0.000 1.005 54 S CA 0.613 58.819 58.200 0.010 0.000 0.949 54 S CB -0.176 63.023 63.200 -0.001 0.000 0.774 54 S HN 0.310 nan 8.310 nan 0.000 0.510 55 L N 0.051 121.310 121.223 0.061 0.000 2.162 55 L HA 0.207 4.581 4.340 0.055 0.000 0.205 55 L C 2.733 179.637 176.870 0.057 0.000 1.086 55 L CA 0.947 55.823 54.840 0.059 0.000 0.778 55 L CB -0.409 41.693 42.059 0.072 0.000 0.928 55 L HN 0.254 nan 8.230 nan 0.000 0.446 56 K N 1.389 121.834 120.400 0.075 0.000 2.057 56 K HA -0.006 4.347 4.320 0.055 0.000 0.206 56 K C 0.755 177.385 176.600 0.050 0.000 1.050 56 K CA 1.383 57.713 56.287 0.072 0.000 0.935 56 K CB 0.048 32.606 32.500 0.097 0.000 0.715 56 K HN 0.175 nan 8.250 nan 0.000 0.439 57 A N 0.509 123.351 122.820 0.036 0.000 3.317 57 A HA 0.352 4.706 4.320 0.055 0.000 0.307 57 A C -2.202 175.387 177.584 0.008 0.000 1.003 57 A CA -1.040 51.014 52.037 0.029 0.000 0.882 57 A CB 0.585 19.606 19.000 0.034 0.000 1.136 57 A HN 0.120 nan 8.150 nan 0.000 0.488 58 P HA -0.129 nan 4.420 nan 0.000 0.219 58 P C 0.111 177.404 177.300 -0.012 0.000 1.146 58 P CA 1.354 64.453 63.100 -0.001 0.000 0.808 58 P CB 0.317 32.021 31.700 0.006 0.000 0.779 59 D N -1.551 118.846 120.400 -0.005 0.000 2.363 59 D HA 0.044 4.717 4.640 0.055 0.000 0.214 59 D C 0.102 176.390 176.300 -0.019 0.000 1.093 59 D CA 0.378 54.372 54.000 -0.011 0.000 0.837 59 D CB -0.233 40.567 40.800 0.000 0.000 0.948 59 D HN 0.067 nan 8.370 nan 0.000 0.507 60 T N 2.591 117.130 114.554 -0.025 0.000 2.727 60 T HA 0.300 4.684 4.350 0.055 0.000 0.295 60 T C 0.442 175.098 174.700 -0.074 0.000 0.915 60 T CA -0.353 61.719 62.100 -0.047 0.000 1.066 60 T CB 0.966 69.803 68.868 -0.051 0.000 0.891 60 T HN -0.143 nan 8.240 nan 0.000 0.516 61 R N 3.248 123.698 120.500 -0.082 0.000 2.795 61 R HA 0.647 5.020 4.340 0.055 0.000 0.275 61 R C -0.499 175.741 176.300 -0.099 0.000 0.981 61 R CA -0.994 55.050 56.100 -0.092 0.000 0.917 61 R CB 1.895 32.149 30.300 -0.077 0.000 1.202 61 R HN 0.804 nan 8.270 nan 0.000 0.469 62 N N -1.883 116.760 118.700 -0.095 0.000 3.020 62 N HA 0.026 4.799 4.740 0.055 0.000 0.248 62 N C 0.239 175.704 175.510 -0.076 0.000 1.480 62 N CA -0.807 52.200 53.050 -0.071 0.000 0.874 62 N CB 0.820 39.295 38.487 -0.019 0.000 1.433 62 N HN 0.579 nan 8.380 nan 0.000 0.530 63 E N -0.214 119.956 120.200 -0.050 0.000 2.085 63 E HA -0.286 4.097 4.350 0.055 0.000 0.194 63 E C 1.047 177.575 176.600 -0.119 0.000 0.994 63 E CA 1.573 57.938 56.400 -0.059 0.000 0.801 63 E CB 0.088 29.779 29.700 -0.014 0.000 0.743 63 E HN 0.500 nan 8.360 nan 0.000 0.453 64 K N 0.580 120.873 120.400 -0.180 0.000 2.031 64 K HA -0.069 4.284 4.320 0.055 0.000 0.205 64 K C 2.070 178.500 176.600 -0.284 0.000 1.049 64 K CA 1.110 57.191 56.287 -0.342 0.000 0.939 64 K CB -0.362 31.762 32.500 -0.627 0.000 0.717 64 K HN 0.171 nan 8.250 nan 0.000 0.438 65 L N 0.859 121.930 121.223 -0.253 0.000 2.083 65 L HA -0.190 4.183 4.340 0.055 0.000 0.209 65 L C 1.832 178.583 176.870 -0.199 0.000 1.083 65 L CA 1.179 55.843 54.840 -0.293 0.000 0.752 65 L CB -0.547 41.333 42.059 -0.300 0.000 0.899 65 L HN 0.258 nan 8.230 nan 0.000 0.433 66 N N -0.360 118.250 118.700 -0.150 0.000 2.142 66 N HA -0.154 4.620 4.740 0.055 0.000 0.186 66 N C 2.057 177.505 175.510 -0.103 0.000 1.023 66 N CA 1.645 54.630 53.050 -0.109 0.000 0.852 66 N CB -0.443 37.995 38.487 -0.082 0.000 0.998 66 N HN 0.336 nan 8.380 nan 0.000 0.424 67 S N 0.372 116.002 115.700 -0.118 0.000 2.474 67 S HA 0.017 4.520 4.470 0.055 0.000 0.235 67 S C 1.744 176.279 174.600 -0.107 0.000 0.997 67 S CA 0.430 58.568 58.200 -0.104 0.000 0.949 67 S CB -0.433 62.700 63.200 -0.111 0.000 0.766 67 S HN 0.249 nan 8.310 nan 0.000 0.517 68 L N 0.673 121.817 121.223 -0.131 0.000 2.599 68 L HA 0.224 4.598 4.340 0.055 0.000 0.230 68 L C 2.555 179.374 176.870 -0.085 0.000 1.141 68 L CA 0.441 55.211 54.840 -0.117 0.000 0.877 68 L CB -0.295 41.674 42.059 -0.150 0.000 1.009 68 L HN 0.269 nan 8.230 nan 0.000 0.447 69 E N 1.037 121.191 120.200 -0.077 0.000 2.204 69 E HA -0.248 4.135 4.350 0.055 0.000 0.195 69 E C 1.638 178.213 176.600 -0.040 0.000 0.990 69 E CA 1.386 57.754 56.400 -0.054 0.000 0.821 69 E CB -0.046 29.625 29.700 -0.047 0.000 0.750 69 E HN 0.554 nan 8.360 nan 0.000 0.477 70 D N -0.635 119.739 120.400 -0.043 0.000 2.310 70 D HA -0.126 4.547 4.640 0.055 0.000 0.212 70 D C 1.551 177.832 176.300 -0.032 0.000 0.965 70 D CA 1.338 55.317 54.000 -0.035 0.000 0.879 70 D CB -0.182 40.597 40.800 -0.035 0.000 0.921 70 D HN 0.296 nan 8.370 nan 0.000 0.510 71 V N -3.710 116.183 119.914 -0.036 0.000 3.556 71 V HA 0.331 4.484 4.120 0.055 0.000 0.287 71 V C 0.846 176.927 176.094 -0.021 0.000 1.422 71 V CA -0.695 61.587 62.300 -0.029 0.000 1.038 71 V CB -0.364 31.441 31.823 -0.030 0.000 0.850 71 V HN -0.168 nan 8.190 nan 0.000 0.437 72 R N 2.074 122.561 120.500 -0.022 0.000 2.537 72 R HA 0.407 4.780 4.340 0.055 0.000 0.280 72 R C -0.218 176.078 176.300 -0.007 0.000 1.058 72 R CA 0.150 56.245 56.100 -0.009 0.000 1.057 72 R CB 0.671 30.966 30.300 -0.008 0.000 0.973 72 R HN 0.365 nan 8.270 nan 0.000 0.438 73 K N 1.170 121.570 120.400 0.000 0.000 2.376 73 K HA 0.314 4.667 4.320 0.055 0.000 0.257 73 K C -0.051 176.560 176.600 0.020 0.000 0.939 73 K CA -0.429 55.848 56.287 -0.016 0.000 0.809 73 K CB 1.852 34.326 32.500 -0.043 0.000 1.121 73 K HN 0.741 nan 8.250 nan 0.000 0.425 74 G N 0.500 109.330 108.800 0.051 0.000 2.504 74 G HA2 0.215 4.208 3.960 0.055 0.000 0.257 74 G HA3 0.215 4.208 3.960 0.055 0.000 0.257 74 G C 0.387 175.393 174.900 0.176 0.000 1.451 74 G CA 0.289 45.473 45.100 0.141 0.000 1.059 74 G HN 0.703 nan 8.290 nan 0.000 0.550 75 S N -2.643 113.238 115.700 0.301 0.000 2.501 75 S HA 0.110 4.613 4.470 0.055 0.000 0.250 75 S C 0.208 174.980 174.600 0.286 0.000 0.959 75 S CA -0.166 58.214 58.200 0.299 0.000 1.250 75 S CB 0.033 63.321 63.200 0.147 0.000 0.933 75 S HN 0.522 nan 8.310 nan 0.000 0.420 76 E N 3.203 123.486 120.200 0.139 0.000 2.465 76 E HA 0.268 4.651 4.350 0.055 0.000 0.260 76 E C -0.216 176.292 176.600 -0.153 0.000 0.980 76 E CA 0.210 56.617 56.400 0.013 0.000 0.927 76 E CB 0.009 29.709 29.700 0.000 0.000 0.934 76 E HN 0.373 nan 8.360 nan 0.000 0.459 77 N N 0.707 119.335 118.700 -0.120 0.000 2.909 77 N HA -0.203 4.570 4.740 0.055 0.000 0.242 77 N C -1.131 174.231 175.510 -0.247 0.000 0.975 77 N CA 1.107 54.038 53.050 -0.200 0.000 0.921 77 N CB -1.220 37.101 38.487 -0.278 0.000 1.112 77 N HN 0.391 nan 8.380 nan 0.000 0.581 78 Y N 0.665 120.970 120.300 0.009 0.000 2.419 78 Y HA 0.629 5.212 4.550 0.056 0.000 0.328 78 Y C 0.915 176.817 175.900 0.005 0.000 1.162 78 Y CA -0.636 57.468 58.100 0.007 0.000 1.174 78 Y CB 1.017 39.481 38.460 0.007 0.000 1.228 78 Y HN 0.111 nan 8.280 nan 0.000 0.473 79 A N 2.665 125.599 122.820 0.190 0.000 2.425 79 A HA 0.349 4.702 4.320 0.055 0.000 0.249 79 A C -0.607 177.026 177.584 0.081 0.000 1.084 79 A CA -0.496 51.602 52.037 0.102 0.000 0.781 79 A CB -0.050 18.997 19.000 0.077 0.000 1.019 79 A HN 0.709 nan 8.150 nan 0.000 0.490 80 L N 3.404 124.656 121.223 0.049 0.000 2.477 80 L HA 0.434 4.808 4.340 0.055 0.000 0.272 80 L C 0.741 177.620 176.870 0.015 0.000 1.157 80 L CA 1.289 56.144 54.840 0.024 0.000 0.889 80 L CB 0.095 42.159 42.059 0.010 0.000 1.158 80 L HN 0.901 nan 8.230 nan 0.000 0.473 81 T N 0.426 114.983 114.554 0.005 0.000 2.887 81 T HA 0.667 5.050 4.350 0.055 0.000 0.292 81 T C 0.245 174.947 174.700 0.004 0.000 1.087 81 T CA -0.200 61.906 62.100 0.009 0.000 1.009 81 T CB 1.039 69.914 68.868 0.012 0.000 1.203 81 T HN 0.763 nan 8.240 nan 0.000 0.518 82 T N 0.433 115.004 114.554 0.028 0.000 2.701 82 T HA 0.176 4.559 4.350 0.055 0.000 0.303 82 T C 1.144 175.861 174.700 0.029 0.000 1.030 82 T CA -0.415 61.711 62.100 0.042 0.000 1.010 82 T CB -0.123 68.816 68.868 0.119 0.000 1.007 82 T HN 0.572 nan 8.240 nan 0.000 0.532 83 N N 0.570 119.290 118.700 0.034 0.000 2.364 83 N HA -0.087 4.686 4.740 0.055 0.000 0.183 83 N C 1.656 177.186 175.510 0.033 0.000 1.022 83 N CA 0.743 53.806 53.050 0.022 0.000 0.883 83 N CB -0.250 38.260 38.487 0.038 0.000 0.965 83 N HN 0.565 nan 8.380 nan 0.000 0.438 84 Q N -0.464 119.369 119.800 0.055 0.000 2.403 84 Q HA 0.171 4.544 4.340 0.055 0.000 0.203 84 Q C 0.807 176.831 176.000 0.039 0.000 0.932 84 Q CA 0.294 56.126 55.803 0.048 0.000 0.945 84 Q CB 0.267 29.040 28.738 0.059 0.000 1.045 84 Q HN 0.422 nan 8.270 nan 0.000 0.511 85 G N 0.364 109.184 108.800 0.034 0.000 2.141 85 G HA2 -0.235 3.758 3.960 0.055 0.000 0.242 85 G HA3 -0.235 3.758 3.960 0.055 0.000 0.242 85 G C 0.058 174.983 174.900 0.042 0.000 0.982 85 G CA 0.145 45.260 45.100 0.025 0.000 0.662 85 G HN 0.226 nan 8.290 nan 0.000 0.527 86 V N 1.566 121.521 119.914 0.068 0.000 2.407 86 V HA 0.397 4.550 4.120 0.055 0.000 0.278 86 V C 1.227 177.361 176.094 0.066 0.000 1.037 86 V CA -0.728 61.624 62.300 0.087 0.000 0.900 86 V CB 1.255 33.173 31.823 0.159 0.000 0.983 86 V HN 0.390 nan 8.190 nan 0.000 0.459 87 R N 4.487 125.018 120.500 0.053 0.000 2.489 87 R HA 0.322 4.695 4.340 0.055 0.000 0.287 87 R C -0.496 175.818 176.300 0.024 0.000 1.053 87 R CA -0.004 56.118 56.100 0.036 0.000 1.036 87 R CB 0.431 30.752 30.300 0.035 0.000 0.966 87 R HN 0.582 nan 8.270 nan 0.000 0.432 88 I N 2.439 123.011 120.570 0.003 0.000 2.342 88 I HA 0.088 4.292 4.170 0.055 0.000 0.291 88 I C 1.120 177.226 176.117 -0.018 0.000 1.010 88 I CA 0.006 61.291 61.300 -0.024 0.000 1.308 88 I CB 1.764 39.738 38.000 -0.043 0.000 1.400 88 I HN 0.766 nan 8.210 nan 0.000 0.488 89 A N 4.258 127.064 122.820 -0.023 0.000 1.903 89 A HA -0.020 4.333 4.320 0.055 0.000 0.213 89 A C 0.736 178.305 177.584 -0.025 0.000 1.185 89 A CA 1.014 53.041 52.037 -0.017 0.000 0.628 89 A CB 0.019 19.011 19.000 -0.013 0.000 0.830 89 A HN 0.701 nan 8.150 nan 0.000 0.446 90 D N -0.676 119.701 120.400 -0.039 0.000 2.421 90 D HA 0.329 5.002 4.640 0.055 0.000 0.254 90 D C -1.293 174.975 176.300 -0.054 0.000 1.238 90 D CA -0.375 53.600 54.000 -0.041 0.000 0.919 90 D CB 1.150 41.926 40.800 -0.040 0.000 1.152 90 D HN 0.062 nan 8.370 nan 0.000 0.552 91 D N 1.956 122.328 120.400 -0.048 0.000 2.395 91 D HA 0.052 4.725 4.640 0.055 0.000 0.226 91 D C 0.660 176.928 176.300 -0.053 0.000 1.146 91 D CA 0.287 54.255 54.000 -0.054 0.000 0.830 91 D CB 0.514 41.287 40.800 -0.045 0.000 0.958 91 D HN 0.231 nan 8.370 nan 0.000 0.501 92 Q N -0.673 119.097 119.800 -0.049 0.000 2.280 92 Q HA 0.260 4.633 4.340 0.055 0.000 0.228 92 Q C -0.145 175.825 176.000 -0.049 0.000 0.857 92 Q CA 0.200 55.974 55.803 -0.047 0.000 0.939 92 Q CB 0.776 29.491 28.738 -0.038 0.000 1.114 92 Q HN 0.189 nan 8.270 nan 0.000 0.514 93 N N 0.133 118.802 118.700 -0.052 0.000 2.242 93 N HA 0.309 5.082 4.740 0.055 0.000 0.292 93 N C -0.953 174.523 175.510 -0.058 0.000 1.125 93 N CA -0.254 52.766 53.050 -0.050 0.000 0.783 93 N CB 2.116 40.579 38.487 -0.041 0.000 1.558 93 N HN -0.175 nan 8.380 nan 0.000 0.472 94 S N 0.758 116.427 115.700 -0.052 0.000 2.603 94 S HA 0.244 4.747 4.470 0.055 0.000 0.268 94 S C 0.185 174.759 174.600 -0.043 0.000 1.317 94 S CA -0.540 57.629 58.200 -0.052 0.000 1.012 94 S CB 0.641 63.817 63.200 -0.040 0.000 0.926 94 S HN 0.393 nan 8.310 nan 0.000 0.539 95 L N 3.613 124.811 121.223 -0.043 0.000 2.319 95 L HA 0.442 4.816 4.340 0.055 0.000 0.280 95 L C 0.061 176.923 176.870 -0.014 0.000 1.099 95 L CA 0.341 55.164 54.840 -0.028 0.000 0.828 95 L CB -0.045 41.999 42.059 -0.024 0.000 1.150 95 L HN 0.738 nan 8.230 nan 0.000 0.442 96 R N 4.201 124.695 120.500 -0.010 0.000 2.774 96 R HA 0.862 5.236 4.340 0.055 0.000 0.272 96 R C -1.217 175.082 176.300 -0.002 0.000 1.000 96 R CA -0.832 55.265 56.100 -0.006 0.000 0.906 96 R CB 1.173 31.468 30.300 -0.009 0.000 1.227 96 R HN 0.595 nan 8.270 nan 0.000 0.468 97 A N 1.426 124.246 122.820 0.001 0.000 2.527 97 A HA 0.588 4.941 4.320 0.055 0.000 0.313 97 A C 0.665 178.249 177.584 0.000 0.000 1.410 97 A CA 0.310 52.349 52.037 0.002 0.000 1.060 97 A CB -0.847 18.156 19.000 0.005 0.000 1.137 97 A HN 1.261 nan 8.150 nan 0.000 0.542 98 G N 1.364 110.164 108.800 -0.001 0.000 2.733 98 G HA2 0.002 3.995 3.960 0.055 0.000 0.686 98 G HA3 0.002 3.995 3.960 0.055 0.000 0.686 98 G C 0.729 175.626 174.900 -0.005 0.000 1.373 98 G CA 0.181 45.279 45.100 -0.003 0.000 0.838 98 G HN 1.921 nan 8.290 nan 0.000 0.588 99 S N -0.392 115.304 115.700 -0.006 0.000 2.555 99 S HA 0.035 4.538 4.470 0.055 0.000 0.230 99 S C 1.491 176.085 174.600 -0.010 0.000 0.978 99 S CA 1.330 59.525 58.200 -0.009 0.000 0.934 99 S CB 0.085 63.279 63.200 -0.009 0.000 0.766 99 S HN 0.750 nan 8.310 nan 0.000 0.533 100 R N 0.824 121.320 120.500 -0.008 0.000 2.652 100 R HA 0.350 4.723 4.340 0.055 0.000 0.372 100 R C 0.796 177.092 176.300 -0.006 0.000 1.104 100 R CA 0.003 56.099 56.100 -0.008 0.000 1.072 100 R CB 0.847 31.143 30.300 -0.007 0.000 1.367 100 R HN 0.431 nan 8.270 nan 0.000 0.577 101 G N 1.620 110.417 108.800 -0.006 0.000 2.613 101 G HA2 0.411 4.404 3.960 0.055 0.000 0.303 101 G HA3 0.411 4.404 3.960 0.055 0.000 0.303 101 G C -2.404 172.494 174.900 -0.004 0.000 1.312 101 G CA -1.169 43.928 45.100 -0.004 0.000 1.036 101 G HN -0.107 nan 8.290 nan 0.000 0.513 102 P HA 0.205 nan 4.420 nan 0.000 0.272 102 P C -0.169 177.131 177.300 -0.001 0.000 1.223 102 P CA -0.032 63.067 63.100 -0.001 0.000 0.784 102 P CB 0.664 32.365 31.700 0.002 0.000 0.923 103 T N 2.442 116.995 114.554 -0.001 0.000 2.884 103 T HA 0.280 4.664 4.350 0.055 0.000 0.298 103 T C 0.469 175.172 174.700 0.006 0.000 0.998 103 T CA -0.243 61.856 62.100 -0.002 0.000 1.124 103 T CB 0.020 68.884 68.868 -0.006 0.000 0.931 103 T HN 0.184 nan 8.240 nan 0.000 0.531 104 L N 3.665 124.894 121.223 0.009 0.000 2.350 104 L HA 0.266 4.639 4.340 0.055 0.000 0.275 104 L C 1.444 178.332 176.870 0.029 0.000 1.099 104 L CA -0.739 54.112 54.840 0.019 0.000 0.808 104 L CB 0.718 42.791 42.059 0.023 0.000 1.149 104 L HN 0.520 nan 8.230 nan 0.000 0.442 105 L N 2.535 123.778 121.223 0.035 0.000 2.191 105 L HA -0.190 4.184 4.340 0.055 0.000 0.212 105 L C 2.294 179.205 176.870 0.068 0.000 1.103 105 L CA 1.640 56.508 54.840 0.045 0.000 0.769 105 L CB -0.599 41.484 42.059 0.040 0.000 0.908 105 L HN 0.787 nan 8.230 nan 0.000 0.438 106 E N -1.541 118.703 120.200 0.073 0.000 2.516 106 E HA -0.154 4.229 4.350 0.055 0.000 0.199 106 E C 0.132 176.839 176.600 0.178 0.000 1.069 106 E CA 0.142 56.614 56.400 0.120 0.000 0.876 106 E CB -0.504 29.258 29.700 0.103 0.000 0.843 106 E HN 0.352 nan 8.360 nan 0.000 0.530 107 D N 1.248 121.706 120.400 0.097 0.000 2.455 107 D HA -0.039 4.634 4.640 0.055 0.000 0.234 107 D C 0.443 176.764 176.300 0.036 0.000 1.224 107 D CA -0.520 53.491 54.000 0.018 0.000 0.999 107 D CB -0.161 40.618 40.800 -0.036 0.000 1.072 107 D HN 0.311 nan 8.370 nan 0.000 0.514 108 F N 2.021 121.980 119.950 0.014 0.000 2.407 108 F HA 0.101 4.661 4.527 0.055 0.000 0.299 108 F C 1.567 177.380 175.800 0.021 0.000 1.097 108 F CA 0.119 58.131 58.000 0.019 0.000 1.422 108 F CB -0.549 38.462 39.000 0.018 0.000 1.067 108 F HN 0.185 nan 8.300 nan 0.000 0.539 109 I N 0.344 120.503 120.570 -0.685 0.000 2.233 109 I HA -0.188 4.016 4.170 0.055 0.000 0.243 109 I C 2.472 178.479 176.117 -0.184 0.000 1.093 109 I CA 0.967 61.980 61.300 -0.477 0.000 1.380 109 I CB -0.492 37.172 38.000 -0.559 0.000 1.067 109 I HN 0.273 nan 8.210 nan 0.000 0.413 110 L N 1.108 122.237 121.223 -0.156 0.000 2.012 110 L HA -0.211 4.163 4.340 0.055 0.000 0.210 110 L C 2.609 179.469 176.870 -0.016 0.000 1.073 110 L CA 1.908 56.703 54.840 -0.075 0.000 0.748 110 L CB -0.578 41.444 42.059 -0.062 0.000 0.891 110 L HN 0.059 nan 8.230 nan 0.000 0.431 111 R N -0.705 119.804 120.500 0.016 0.000 2.092 111 R HA -0.151 4.222 4.340 0.055 0.000 0.231 111 R C 2.311 178.667 176.300 0.093 0.000 1.119 111 R CA 1.399 57.538 56.100 0.065 0.000 0.970 111 R CB -0.321 30.033 30.300 0.090 0.000 0.864 111 R HN 0.576 nan 8.270 nan 0.000 0.440 112 E N 1.173 121.433 120.200 0.100 0.000 2.051 112 E HA -0.240 4.143 4.350 0.055 0.000 0.192 112 E C 1.924 178.600 176.600 0.127 0.000 0.991 112 E CA 1.246 57.723 56.400 0.128 0.000 0.799 112 E CB 0.110 29.890 29.700 0.133 0.000 0.748 112 E HN 0.135 nan 8.360 nan 0.000 0.449 113 K N 0.283 120.726 120.400 0.073 0.000 2.063 113 K HA -0.151 4.202 4.320 0.055 0.000 0.208 113 K C 2.080 178.753 176.600 0.122 0.000 1.048 113 K CA 1.390 57.719 56.287 0.069 0.000 0.928 113 K CB -0.015 32.484 32.500 -0.002 0.000 0.713 113 K HN 0.159 nan 8.250 nan 0.000 0.442 114 I N 1.092 121.717 120.570 0.092 0.000 2.406 114 I HA -0.154 4.049 4.170 0.055 0.000 0.249 114 I C 2.087 178.311 176.117 0.179 0.000 1.122 114 I CA 1.181 62.555 61.300 0.123 0.000 1.431 114 I CB -1.354 36.681 38.000 0.057 0.000 1.087 114 I HN 0.210 nan 8.210 nan 0.000 0.424 115 T N -0.164 114.486 114.554 0.159 0.000 2.720 115 T HA -0.229 4.155 4.350 0.055 0.000 0.268 115 T C 1.953 176.775 174.700 0.203 0.000 1.037 115 T CA 1.492 63.703 62.100 0.184 0.000 1.144 115 T CB -0.393 68.596 68.868 0.202 0.000 0.864 115 T HN 0.351 nan 8.240 nan 0.000 0.444 116 H N -0.156 119.003 119.070 0.148 0.000 2.363 116 H HA -0.006 4.583 4.556 0.056 0.000 0.301 116 H C 2.185 177.563 175.328 0.083 0.000 1.074 116 H CA 1.227 57.348 56.048 0.122 0.000 1.354 116 H CB -0.428 29.388 29.762 0.090 0.000 1.397 116 H HN 0.378 nan 8.280 nan 0.000 0.516 117 F N 2.264 122.276 119.950 0.103 0.000 2.091 117 F HA -0.253 4.309 4.527 0.058 0.000 0.299 117 F C 1.963 177.705 175.800 -0.096 0.000 1.103 117 F CA 2.060 60.064 58.000 0.007 0.000 1.228 117 F CB -0.345 38.654 39.000 -0.001 0.000 0.984 117 F HN 0.103 nan 8.300 nan 0.000 0.477 118 D N -1.330 118.975 120.400 -0.159 0.000 2.263 118 D HA -0.138 4.535 4.640 0.055 0.000 0.208 118 D C 1.197 177.082 176.300 -0.691 0.000 0.971 118 D CA 1.197 54.931 54.000 -0.443 0.000 0.867 118 D CB -0.373 40.153 40.800 -0.455 0.000 0.929 118 D HN 0.501 nan 8.370 nan 0.000 0.492 119 H N -0.362 118.591 119.070 -0.195 0.000 2.475 119 H HA 0.232 4.820 4.556 0.054 0.000 0.276 119 H C 1.009 176.181 175.328 -0.259 0.000 1.126 119 H CA -0.127 55.804 56.048 -0.195 0.000 1.023 119 H CB 0.477 30.144 29.762 -0.158 0.000 1.669 119 H HN 0.258 nan 8.280 nan 0.000 0.573 120 E N 0.641 120.680 120.200 -0.268 0.000 2.106 120 E HA -0.051 4.332 4.350 0.055 0.000 0.192 120 E C 0.517 176.967 176.600 -0.249 0.000 0.984 120 E CA 0.619 56.838 56.400 -0.302 0.000 0.806 120 E CB 0.456 29.953 29.700 -0.338 0.000 0.750 120 E HN 0.136 nan 8.360 nan 0.000 0.458 121 R N 1.071 121.482 120.500 -0.148 0.000 2.459 121 R HA 0.374 4.747 4.340 0.055 0.000 0.281 121 R C 0.395 176.734 176.300 0.065 0.000 1.050 121 R CA -0.297 55.788 56.100 -0.024 0.000 1.055 121 R CB 0.710 30.988 30.300 -0.037 0.000 1.045 121 R HN 0.164 nan 8.270 nan 0.000 0.495 122 I N -1.079 119.593 120.570 0.171 0.000 2.957 122 I HA 0.606 4.810 4.170 0.055 0.000 0.310 122 I C -2.228 173.953 176.117 0.106 0.000 1.063 122 I CA -2.891 58.497 61.300 0.148 0.000 1.033 122 I CB 1.893 40.016 38.000 0.205 0.000 1.230 122 I HN 0.244 nan 8.210 nan 0.000 0.447 123 P HA 0.095 nan 4.420 nan 0.000 0.266 123 P C -0.913 176.419 177.300 0.054 0.000 1.195 123 P CA -0.067 63.063 63.100 0.049 0.000 0.768 123 P CB 0.424 32.142 31.700 0.031 0.000 0.838 124 E N 2.596 122.829 120.200 0.057 0.000 2.369 124 E HA 0.191 4.574 4.350 0.055 0.000 0.255 124 E C -0.456 176.172 176.600 0.046 0.000 1.172 124 E CA -0.824 55.614 56.400 0.063 0.000 0.932 124 E CB 0.605 30.350 29.700 0.074 0.000 1.040 124 E HN 0.257 nan 8.360 nan 0.000 0.454 125 R N 0.713 121.246 120.500 0.055 0.000 2.640 125 R HA -0.005 4.368 4.340 0.055 0.000 0.270 125 R C 1.313 177.650 176.300 0.062 0.000 1.024 125 R CA -0.448 55.681 56.100 0.050 0.000 1.085 125 R CB 0.262 30.612 30.300 0.082 0.000 0.963 125 R HN 0.569 nan 8.270 nan 0.000 0.426 126 I N 1.908 122.509 120.570 0.051 0.000 2.208 126 I HA -0.154 4.049 4.170 0.055 0.000 0.245 126 I C 1.241 177.417 176.117 0.098 0.000 1.097 126 I CA 1.572 62.913 61.300 0.069 0.000 1.363 126 I CB -1.074 36.971 38.000 0.075 0.000 1.051 126 I HN 0.401 nan 8.210 nan 0.000 0.413 127 V N -3.411 116.597 119.914 0.157 0.000 3.040 127 V HA 0.513 4.666 4.120 0.055 0.000 0.312 127 V C 0.400 176.680 176.094 0.311 0.000 1.115 127 V CA -0.864 61.561 62.300 0.208 0.000 0.998 127 V CB 1.778 33.799 31.823 0.329 0.000 1.042 127 V HN 0.439 nan 8.190 nan 0.000 0.433 128 H N 0.314 119.451 119.070 0.112 0.000 2.862 128 H HA -0.219 4.367 4.556 0.051 0.000 0.290 128 H C 1.538 176.916 175.328 0.084 0.000 1.211 128 H CA 0.733 56.841 56.048 0.099 0.000 1.140 128 H CB -1.191 28.619 29.762 0.081 0.000 1.341 128 H HN 1.159 nan 8.280 nan 0.000 0.392 129 A N 0.738 123.653 122.820 0.158 0.000 2.019 129 A HA -0.104 4.250 4.320 0.055 0.000 0.219 129 A C 1.669 179.345 177.584 0.154 0.000 1.164 129 A CA 1.288 53.406 52.037 0.135 0.000 0.644 129 A CB -0.076 18.982 19.000 0.097 0.000 0.805 129 A HN 0.277 nan 8.150 nan 0.000 0.449 130 R N 0.055 120.647 120.500 0.153 0.000 2.207 130 R HA 0.525 4.898 4.340 0.055 0.000 0.334 130 R C -0.149 176.278 176.300 0.212 0.000 1.013 130 R CA 0.709 56.917 56.100 0.180 0.000 0.858 130 R CB 0.408 30.799 30.300 0.152 0.000 1.094 130 R HN 0.333 nan 8.270 nan 0.000 0.457 131 G N 0.839 109.792 108.800 0.255 0.000 2.632 131 G HA2 0.495 4.488 3.960 0.055 0.000 0.292 131 G HA3 0.495 4.488 3.960 0.055 0.000 0.292 131 G C -1.658 173.402 174.900 0.268 0.000 1.465 131 G CA -0.605 44.614 45.100 0.199 0.000 0.824 131 G HN 0.507 nan 8.290 nan 0.000 0.509 132 S N -1.100 114.705 115.700 0.174 0.000 2.541 132 S HA 0.906 5.409 4.470 0.055 0.000 0.280 132 S C -0.210 174.416 174.600 0.044 0.000 1.112 132 S CA -0.109 58.257 58.200 0.276 0.000 0.925 132 S CB 1.806 65.272 63.200 0.443 0.000 1.067 132 S HN 1.699 nan 8.310 nan 0.000 0.479 133 A N 1.344 124.155 122.820 -0.015 0.000 2.515 133 A HA 1.030 5.383 4.320 0.055 0.000 0.296 133 A C -0.908 176.496 177.584 -0.300 0.000 1.094 133 A CA -0.675 51.125 52.037 -0.395 0.000 0.718 133 A CB 1.613 20.209 19.000 -0.674 0.000 1.307 133 A HN 1.375 nan 8.150 nan 0.000 0.408 134 A N 0.514 123.005 122.820 -0.549 0.000 2.609 134 A HA 0.747 5.100 4.320 0.055 0.000 0.291 134 A C -1.153 176.264 177.584 -0.279 0.000 1.096 134 A CA -0.633 51.246 52.037 -0.262 0.000 0.684 134 A CB 0.798 19.723 19.000 -0.125 0.000 1.282 134 A HN 0.878 nan 8.150 nan 0.000 0.412 135 H N -0.482 118.627 119.070 0.065 0.000 2.482 135 H HA 0.690 5.280 4.556 0.057 0.000 0.344 135 H C 0.570 175.900 175.328 0.004 0.000 1.151 135 H CA 0.891 57.030 56.048 0.151 0.000 1.300 135 H CB 1.861 31.696 29.762 0.122 0.000 1.494 135 H HN 1.147 nan 8.280 nan 0.000 0.542 136 G N 0.745 109.644 108.800 0.164 0.000 2.500 136 G HA2 0.358 4.351 3.960 0.055 0.000 0.299 136 G HA3 0.358 4.351 3.960 0.055 0.000 0.299 136 G C -2.028 173.003 174.900 0.218 0.000 1.242 136 G CA -0.633 44.520 45.100 0.088 0.000 0.859 136 G HN 0.615 nan 8.290 nan 0.000 0.481 137 Y N -1.811 118.522 120.300 0.056 0.000 2.625 137 Y HA 0.838 5.421 4.550 0.055 0.000 0.338 137 Y C -1.720 174.316 175.900 0.225 0.000 1.123 137 Y CA -1.948 56.231 58.100 0.133 0.000 1.046 137 Y CB 1.935 40.450 38.460 0.093 0.000 1.299 137 Y HN 0.777 nan 8.280 nan 0.000 0.464 138 F N 2.149 122.257 119.950 0.263 0.000 2.551 138 F HA 0.683 5.245 4.527 0.058 0.000 0.316 138 F C -1.161 174.868 175.800 0.382 0.000 1.089 138 F CA -0.589 57.581 58.000 0.284 0.000 0.915 138 F CB 2.316 41.620 39.000 0.506 0.000 1.186 138 F HN 0.789 nan 8.300 nan 0.000 0.456 139 Q N 6.874 126.192 119.800 -0.805 0.000 2.289 139 Q HA 0.503 4.876 4.340 0.055 0.000 0.270 139 Q C -2.919 172.518 176.000 -0.939 0.000 1.038 139 Q CA -2.391 53.084 55.803 -0.547 0.000 0.812 139 Q CB 2.950 31.659 28.738 -0.049 0.000 1.300 139 Q HN 0.340 nan 8.270 nan 0.000 0.427 140 P HA 0.031 nan 4.420 nan 0.000 0.274 140 P C -0.579 176.668 177.300 -0.088 0.000 1.237 140 P CA 0.196 63.111 63.100 -0.309 0.000 0.793 140 P CB 0.419 32.087 31.700 -0.053 0.000 0.977 141 Y N 0.191 120.446 120.300 -0.075 0.000 2.490 141 Y HA 0.019 4.603 4.550 0.057 0.000 0.285 141 Y C 1.280 177.161 175.900 -0.031 0.000 1.117 141 Y CA 0.084 58.157 58.100 -0.044 0.000 1.262 141 Y CB 0.406 38.847 38.460 -0.032 0.000 1.043 141 Y HN 0.354 nan 8.280 nan 0.000 0.553 142 K N -1.195 119.280 120.400 0.124 0.000 2.642 142 K HA 0.269 4.622 4.320 0.055 0.000 0.290 142 K C -1.115 175.500 176.600 0.025 0.000 1.006 142 K CA -0.873 55.453 56.287 0.065 0.000 0.869 142 K CB 1.216 33.754 32.500 0.063 0.000 1.499 142 K HN -0.240 nan 8.250 nan 0.000 0.403 143 S N 0.948 116.657 115.700 0.016 0.000 2.533 143 S HA 0.178 4.681 4.470 0.055 0.000 0.282 143 S C 0.419 175.014 174.600 -0.008 0.000 1.304 143 S CA -0.640 57.560 58.200 -0.000 0.000 1.063 143 S CB -0.147 63.054 63.200 0.002 0.000 0.881 143 S HN 0.540 nan 8.310 nan 0.000 0.493 144 L N 4.716 125.923 121.223 -0.026 0.000 2.791 144 L HA 0.160 4.533 4.340 0.055 0.000 0.239 144 L C 1.688 178.542 176.870 -0.026 0.000 1.203 144 L CA -0.186 54.643 54.840 -0.018 0.000 1.002 144 L CB -0.130 41.922 42.059 -0.011 0.000 1.295 144 L HN 0.630 nan 8.230 nan 0.000 0.504 145 S N -0.218 115.465 115.700 -0.028 0.000 2.442 145 S HA -0.156 4.347 4.470 0.055 0.000 0.236 145 S C 1.263 175.846 174.600 -0.029 0.000 1.007 145 S CA 1.040 59.221 58.200 -0.032 0.000 0.965 145 S CB -0.112 63.074 63.200 -0.023 0.000 0.773 145 S HN 0.474 nan 8.310 nan 0.000 0.504 146 D N 1.810 122.198 120.400 -0.020 0.000 2.178 146 D HA -0.046 4.627 4.640 0.055 0.000 0.201 146 D C 1.766 178.048 176.300 -0.030 0.000 0.980 146 D CA 0.971 54.959 54.000 -0.020 0.000 0.842 146 D CB -0.167 40.627 40.800 -0.010 0.000 0.948 146 D HN 0.655 nan 8.370 nan 0.000 0.472 147 I N -4.153 116.399 120.570 -0.029 0.000 4.187 147 I HA 0.217 4.420 4.170 0.055 0.000 0.326 147 I C 0.479 176.549 176.117 -0.078 0.000 1.302 147 I CA 0.034 61.306 61.300 -0.046 0.000 1.196 147 I CB 1.013 39.005 38.000 -0.015 0.000 1.095 147 I HN -0.244 nan 8.210 nan 0.000 0.411 148 T N 1.584 116.094 114.554 -0.073 0.000 2.956 148 T HA 0.297 4.680 4.350 0.055 0.000 0.312 148 T C 0.015 174.658 174.700 -0.095 0.000 1.151 148 T CA -0.736 61.300 62.100 -0.106 0.000 1.024 148 T CB 1.740 70.530 68.868 -0.130 0.000 1.140 148 T HN 0.425 nan 8.240 nan 0.000 0.473 149 K N 2.616 122.958 120.400 -0.096 0.000 2.476 149 K HA 0.535 4.888 4.320 0.055 0.000 0.196 149 K C 0.708 177.267 176.600 -0.070 0.000 1.025 149 K CA -0.274 55.970 56.287 -0.073 0.000 1.138 149 K CB 0.155 32.618 32.500 -0.061 0.000 0.860 149 K HN 0.487 nan 8.250 nan 0.000 0.515 150 A N 2.081 124.834 122.820 -0.112 0.000 2.522 150 A HA -0.043 4.310 4.320 0.055 0.000 0.256 150 A C 0.536 178.079 177.584 -0.069 0.000 1.086 150 A CA 0.058 52.038 52.037 -0.095 0.000 0.763 150 A CB 0.127 19.001 19.000 -0.210 0.000 1.024 150 A HN 0.506 nan 8.150 nan 0.000 0.502 151 D N 2.144 122.581 120.400 0.062 0.000 2.178 151 D HA -0.208 4.465 4.640 0.055 0.000 0.202 151 D C 1.332 177.706 176.300 0.122 0.000 0.974 151 D CA 2.043 56.093 54.000 0.083 0.000 0.841 151 D CB -0.232 40.641 40.800 0.122 0.000 0.953 151 D HN 0.724 nan 8.370 nan 0.000 0.478 152 F N -0.473 119.505 119.950 0.047 0.000 2.546 152 F HA 0.143 4.704 4.527 0.057 0.000 0.298 152 F C 1.027 176.924 175.800 0.161 0.000 1.120 152 F CA 0.422 58.492 58.000 0.118 0.000 1.456 152 F CB -0.261 38.815 39.000 0.128 0.000 1.088 152 F HN -0.064 nan 8.300 nan 0.000 0.572 153 L N 0.920 121.823 121.223 -0.533 0.000 2.818 153 L HA 0.200 4.573 4.340 0.055 0.000 0.243 153 L C 1.805 178.587 176.870 -0.146 0.000 1.185 153 L CA 0.324 54.922 54.840 -0.402 0.000 0.988 153 L CB -0.204 41.517 42.059 -0.562 0.000 1.292 153 L HN 0.339 nan 8.230 nan 0.000 0.519 154 S N -2.841 112.820 115.700 -0.065 0.000 2.503 154 S HA 0.079 4.582 4.470 0.055 0.000 0.217 154 S C 0.471 175.071 174.600 0.001 0.000 0.999 154 S CA -0.239 57.945 58.200 -0.028 0.000 0.914 154 S CB 0.402 63.599 63.200 -0.005 0.000 0.782 154 S HN 0.355 nan 8.310 nan 0.000 0.520 155 D N 0.584 120.995 120.400 0.020 0.000 2.886 155 D HA 0.250 4.923 4.640 0.055 0.000 0.216 155 D C -2.592 173.731 176.300 0.039 0.000 1.256 155 D CA -1.541 52.477 54.000 0.030 0.000 0.844 155 D CB 2.389 43.211 40.800 0.037 0.000 1.669 155 D HN -0.159 nan 8.370 nan 0.000 0.513 156 P HA -0.107 nan 4.420 nan 0.000 0.222 156 P C 0.845 178.173 177.300 0.046 0.000 1.147 156 P CA 0.909 64.034 63.100 0.042 0.000 0.790 156 P CB -0.160 31.573 31.700 0.055 0.000 0.780 157 N N -0.522 118.207 118.700 0.047 0.000 2.515 157 N HA -0.079 4.694 4.740 0.055 0.000 0.185 157 N C 0.711 176.262 175.510 0.068 0.000 1.109 157 N CA -0.146 52.934 53.050 0.050 0.000 0.903 157 N CB -0.311 38.199 38.487 0.039 0.000 0.969 157 N HN -0.005 nan 8.380 nan 0.000 0.450 158 K N 1.517 121.971 120.400 0.089 0.000 2.338 158 K HA 0.237 4.590 4.320 0.055 0.000 0.290 158 K C -0.834 175.874 176.600 0.179 0.000 1.069 158 K CA -0.157 56.212 56.287 0.137 0.000 0.941 158 K CB 0.558 33.157 32.500 0.165 0.000 1.023 158 K HN 0.193 nan 8.250 nan 0.000 0.477 159 I N 3.652 124.324 120.570 0.170 0.000 2.315 159 I HA 0.128 4.331 4.170 0.055 0.000 0.291 159 I C -0.144 176.145 176.117 0.287 0.000 1.006 159 I CA -0.394 61.034 61.300 0.213 0.000 1.265 159 I CB 1.746 39.806 38.000 0.101 0.000 1.387 159 I HN 0.468 nan 8.210 nan 0.000 0.475 160 T N 7.616 122.429 114.554 0.432 0.000 2.772 160 T HA 0.342 4.726 4.350 0.055 0.000 0.288 160 T C -2.437 172.527 174.700 0.439 0.000 0.994 160 T CA -1.438 60.943 62.100 0.468 0.000 0.951 160 T CB 1.279 70.531 68.868 0.641 0.000 0.933 160 T HN 0.228 nan 8.240 nan 0.000 0.447 161 P HA 0.257 nan 4.420 nan 0.000 0.269 161 P C -0.618 176.920 177.300 0.395 0.000 1.209 161 P CA -0.421 62.873 63.100 0.323 0.000 0.776 161 P CB 0.543 32.356 31.700 0.188 0.000 0.876 162 V N -0.336 119.753 119.914 0.293 0.000 3.040 162 V HA 0.749 4.902 4.120 0.055 0.000 0.312 162 V C -1.365 174.884 176.094 0.258 0.000 1.115 162 V CA -0.939 61.427 62.300 0.111 0.000 0.998 162 V CB 2.248 33.912 31.823 -0.266 0.000 1.042 162 V HN 0.323 nan 8.190 nan 0.000 0.433 163 F N 2.317 122.247 119.950 -0.035 0.000 2.539 163 F HA 0.847 5.405 4.527 0.052 0.000 0.318 163 F C -0.914 174.781 175.800 -0.175 0.000 1.135 163 F CA -0.864 57.057 58.000 -0.133 0.000 0.915 163 F CB 1.987 40.938 39.000 -0.082 0.000 1.176 163 F HN 0.533 nan 8.300 nan 0.000 0.440 164 V N 6.633 126.068 119.914 -0.798 0.000 2.555 164 V HA 0.580 4.733 4.120 0.055 0.000 0.302 164 V C -0.660 174.744 176.094 -1.150 0.000 1.038 164 V CA -0.841 60.914 62.300 -0.910 0.000 0.887 164 V CB 1.963 33.187 31.823 -0.999 0.000 0.991 164 V HN 0.742 nan 8.190 nan 0.000 0.434 165 R N 3.496 123.310 120.500 -1.143 0.000 2.480 165 R HA 0.623 4.996 4.340 0.055 0.000 0.306 165 R C -1.665 174.029 176.300 -1.010 0.000 0.958 165 R CA -0.429 55.108 56.100 -0.937 0.000 0.861 165 R CB 1.198 31.116 30.300 -0.636 0.000 1.171 165 R HN 0.556 nan 8.270 nan 0.000 0.445 166 F N 1.825 121.360 119.950 -0.691 0.000 2.432 166 F HA 0.511 5.072 4.527 0.056 0.000 0.329 166 F C 0.448 175.901 175.800 -0.578 0.000 1.076 166 F CA -0.260 57.223 58.000 -0.863 0.000 1.018 166 F CB 2.180 40.158 39.000 -1.704 0.000 1.201 166 F HN 0.586 nan 8.300 nan 0.000 0.489 167 S N -0.980 114.654 115.700 -0.110 0.000 2.596 167 S HA 0.641 5.144 4.470 0.055 0.000 0.270 167 S C -0.525 174.204 174.600 0.215 0.000 1.155 167 S CA -0.860 57.407 58.200 0.111 0.000 0.827 167 S CB 1.374 64.691 63.200 0.194 0.000 1.130 167 S HN 0.724 nan 8.310 nan 0.000 0.467 168 T N -1.320 113.360 114.554 0.210 0.000 2.865 168 T HA 0.647 5.030 4.350 0.055 0.000 0.302 168 T C 0.835 175.496 174.700 -0.065 0.000 1.078 168 T CA -0.026 62.156 62.100 0.137 0.000 0.942 168 T CB 0.156 69.114 68.868 0.150 0.000 1.387 168 T HN 0.632 nan 8.240 nan 0.000 0.557 169 V N -0.201 119.643 119.914 -0.118 0.000 3.029 169 V HA 0.135 4.289 4.120 0.055 0.000 0.230 169 V C 2.734 178.765 176.094 -0.104 0.000 1.254 169 V CA 0.294 62.407 62.300 -0.312 0.000 1.276 169 V CB -0.281 31.436 31.823 -0.176 0.000 1.080 169 V HN 0.857 nan 8.190 nan 0.000 0.495 170 Q N 1.053 120.825 119.800 -0.047 0.000 2.096 170 Q HA 0.066 4.440 4.340 0.055 0.000 0.197 170 Q C 1.199 177.182 176.000 -0.028 0.000 0.964 170 Q CA 1.399 57.174 55.803 -0.048 0.000 0.838 170 Q CB -0.060 28.635 28.738 -0.071 0.000 0.906 170 Q HN 0.590 nan 8.270 nan 0.000 0.444 171 G N -0.305 108.492 108.800 -0.005 0.000 2.504 171 G HA2 0.455 4.448 3.960 0.055 0.000 0.288 171 G HA3 0.455 4.448 3.960 0.055 0.000 0.288 171 G C 0.048 174.959 174.900 0.018 0.000 1.182 171 G CA 0.009 45.108 45.100 -0.001 0.000 0.894 171 G HN 0.314 nan 8.290 nan 0.000 0.521 172 G N -1.029 107.776 108.800 0.009 0.000 2.683 172 G HA2 0.456 4.449 3.960 0.055 0.000 0.260 172 G HA3 0.456 4.449 3.960 0.055 0.000 0.260 172 G C 1.364 176.296 174.900 0.054 0.000 1.238 172 G CA 0.452 45.568 45.100 0.027 0.000 0.934 172 G HN 1.082 nan 8.290 nan 0.000 0.534 173 A N -0.751 122.112 122.820 0.071 0.000 2.070 173 A HA 0.133 4.486 4.320 0.055 0.000 0.220 173 A C 2.183 179.809 177.584 0.070 0.000 1.159 173 A CA 1.929 54.028 52.037 0.103 0.000 0.656 173 A CB -0.343 18.735 19.000 0.130 0.000 0.800 173 A HN 1.148 nan 8.150 nan 0.000 0.453 174 G N -0.095 108.727 108.800 0.036 0.000 3.448 174 G HA2 0.352 4.346 3.960 0.055 0.000 0.261 174 G HA3 0.352 4.346 3.960 0.055 0.000 0.261 174 G C 0.633 175.535 174.900 0.005 0.000 1.173 174 G CA 0.626 45.732 45.100 0.010 0.000 0.835 174 G HN 0.637 nan 8.290 nan 0.000 0.534 175 S N -0.278 115.434 115.700 0.019 0.000 2.686 175 S HA 0.767 5.270 4.470 0.055 0.000 0.270 175 S C 0.448 175.063 174.600 0.025 0.000 1.194 175 S CA -0.114 58.093 58.200 0.012 0.000 0.990 175 S CB 1.598 64.807 63.200 0.015 0.000 1.029 175 S HN 0.550 nan 8.310 nan 0.000 0.560 176 A N 0.004 122.834 122.820 0.017 0.000 2.286 176 A HA 0.477 4.830 4.320 0.055 0.000 0.286 176 A C 0.505 178.111 177.584 0.037 0.000 1.097 176 A CA -0.606 51.437 52.037 0.010 0.000 0.821 176 A CB 0.022 19.010 19.000 -0.020 0.000 1.076 176 A HN 0.852 nan 8.150 nan 0.000 0.490 177 D N 0.346 120.757 120.400 0.018 0.000 2.149 177 D HA -0.050 4.623 4.640 0.055 0.000 0.206 177 D C 1.568 177.856 176.300 -0.020 0.000 0.967 177 D CA 2.220 56.248 54.000 0.048 0.000 0.848 177 D CB -0.249 40.543 40.800 -0.014 0.000 0.998 177 D HN 0.668 nan 8.370 nan 0.000 0.474 178 T N 0.150 114.604 114.554 -0.166 0.000 3.418 178 T HA 0.279 4.662 4.350 0.055 0.000 0.239 178 T C 0.837 175.523 174.700 -0.024 0.000 0.905 178 T CA -0.553 61.445 62.100 -0.170 0.000 0.929 178 T CB -1.040 67.646 68.868 -0.303 0.000 1.121 178 T HN -0.095 nan 8.240 nan 0.000 0.608 179 V N -1.368 118.585 119.914 0.065 0.000 3.319 179 V HA 0.435 4.588 4.120 0.055 0.000 0.303 179 V C 0.784 177.018 176.094 0.234 0.000 1.094 179 V CA -1.488 60.895 62.300 0.139 0.000 1.106 179 V CB 0.456 32.351 31.823 0.121 0.000 1.099 179 V HN 0.545 nan 8.190 nan 0.000 0.476 180 R N 1.595 122.294 120.500 0.332 0.000 2.242 180 R HA 0.413 4.786 4.340 0.055 0.000 0.334 180 R C -1.049 175.332 176.300 0.135 0.000 1.071 180 R CA -0.025 56.218 56.100 0.239 0.000 0.922 180 R CB -0.036 30.347 30.300 0.138 0.000 1.023 180 R HN 1.039 nan 8.270 nan 0.000 0.458 181 D N 3.345 123.836 120.400 0.153 0.000 2.671 181 D HA 0.224 4.897 4.640 0.055 0.000 0.273 181 D C -0.454 175.955 176.300 0.182 0.000 1.264 181 D CA -0.631 53.449 54.000 0.134 0.000 0.788 181 D CB 1.314 42.184 40.800 0.117 0.000 1.324 181 D HN 0.217 nan 8.370 nan 0.000 0.424 182 I N 1.258 121.950 120.570 0.204 0.000 2.882 182 I HA 0.237 4.440 4.170 0.055 0.000 0.286 182 I C 0.835 177.080 176.117 0.214 0.000 1.139 182 I CA -0.038 61.392 61.300 0.216 0.000 1.379 182 I CB 0.051 38.207 38.000 0.260 0.000 1.410 182 I HN 0.238 nan 8.210 nan 0.000 0.594 183 R N 2.388 123.036 120.500 0.248 0.000 2.637 183 R HA 0.567 4.940 4.340 0.055 0.000 0.291 183 R C -0.094 176.388 176.300 0.302 0.000 0.963 183 R CA -0.748 55.513 56.100 0.269 0.000 0.901 183 R CB 1.608 32.090 30.300 0.304 0.000 1.160 183 R HN 0.813 nan 8.270 nan 0.000 0.457 184 G N 0.771 109.771 108.800 0.334 0.000 2.476 184 G HA2 0.488 4.481 3.960 0.055 0.000 0.286 184 G HA3 0.488 4.481 3.960 0.055 0.000 0.286 184 G C -1.282 173.712 174.900 0.156 0.000 1.177 184 G CA -0.022 45.265 45.100 0.311 0.000 0.870 184 G HN 0.348 nan 8.290 nan 0.000 0.528 185 F N 1.316 121.171 119.950 -0.157 0.000 3.164 185 F HA 0.617 5.175 4.527 0.053 0.000 0.375 185 F C -0.327 175.172 175.800 -0.502 0.000 1.257 185 F CA -1.710 56.081 58.000 -0.348 0.000 1.171 185 F CB 1.004 39.927 39.000 -0.129 0.000 1.588 185 F HN 0.689 nan 8.300 nan 0.000 0.604 186 A N 3.430 125.962 122.820 -0.481 0.000 2.303 186 A HA 0.806 5.159 4.320 0.055 0.000 0.320 186 A C -0.676 176.446 177.584 -0.770 0.000 1.192 186 A CA -0.463 51.128 52.037 -0.743 0.000 0.821 186 A CB 0.945 19.131 19.000 -1.357 0.000 1.188 186 A HN 0.543 nan 8.150 nan 0.000 0.492 187 T N 2.269 116.537 114.554 -0.477 0.000 2.840 187 T HA 0.379 4.762 4.350 0.055 0.000 0.287 187 T C -0.388 174.111 174.700 -0.335 0.000 0.991 187 T CA -0.478 61.343 62.100 -0.465 0.000 0.964 187 T CB 1.090 69.605 68.868 -0.588 0.000 0.954 187 T HN 0.630 nan 8.240 nan 0.000 0.438 188 K N 3.634 123.919 120.400 -0.193 0.000 2.264 188 K HA 0.430 4.783 4.320 0.055 0.000 0.277 188 K C -1.227 175.046 176.600 -0.547 0.000 1.067 188 K CA -0.565 55.525 56.287 -0.328 0.000 0.900 188 K CB 0.264 32.513 32.500 -0.419 0.000 1.124 188 K HN 0.389 nan 8.250 nan 0.000 0.469 189 F N 4.177 123.835 119.950 -0.487 0.000 2.411 189 F HA 0.222 4.780 4.527 0.052 0.000 0.355 189 F C -0.326 175.277 175.800 -0.328 0.000 1.117 189 F CA -0.528 57.254 58.000 -0.363 0.000 1.139 189 F CB 0.667 39.354 39.000 -0.521 0.000 1.120 189 F HN 0.440 nan 8.300 nan 0.000 0.493 190 Y N 1.881 122.243 120.300 0.105 0.000 2.632 190 Y HA 0.211 4.796 4.550 0.058 0.000 0.336 190 Y C 1.042 177.005 175.900 0.104 0.000 1.237 190 Y CA -0.864 57.282 58.100 0.076 0.000 1.595 190 Y CB -0.287 38.206 38.460 0.056 0.000 1.508 190 Y HN 0.541 nan 8.280 nan 0.000 0.480 191 T N -2.500 112.160 114.554 0.177 0.000 2.874 191 T HA 0.168 4.551 4.350 0.055 0.000 0.281 191 T C 0.961 175.764 174.700 0.170 0.000 0.994 191 T CA -0.722 61.486 62.100 0.179 0.000 1.015 191 T CB 1.104 70.050 68.868 0.130 0.000 1.028 191 T HN 0.642 nan 8.240 nan 0.000 0.523 192 E N 0.010 120.314 120.200 0.174 0.000 2.478 192 E HA -0.032 4.351 4.350 0.055 0.000 0.198 192 E C 1.000 177.672 176.600 0.121 0.000 1.046 192 E CA 0.634 57.116 56.400 0.138 0.000 0.870 192 E CB 0.123 29.900 29.700 0.128 0.000 0.818 192 E HN 0.728 nan 8.360 nan 0.000 0.527 193 E N 0.159 120.435 120.200 0.126 0.000 2.651 193 E HA 0.258 4.642 4.350 0.055 0.000 0.208 193 E C 0.109 176.764 176.600 0.092 0.000 0.997 193 E CA -0.251 56.214 56.400 0.108 0.000 1.020 193 E CB 1.312 31.078 29.700 0.110 0.000 1.052 193 E HN 0.178 nan 8.360 nan 0.000 0.465 194 G N 1.139 109.989 108.800 0.084 0.000 2.357 194 G HA2 -0.097 3.896 3.960 0.055 0.000 0.643 194 G HA3 -0.097 3.896 3.960 0.055 0.000 0.643 194 G C -0.891 174.030 174.900 0.034 0.000 1.358 194 G CA -1.126 44.001 45.100 0.046 0.000 0.986 194 G HN 0.023 nan 8.290 nan 0.000 0.620 195 I N 0.785 121.342 120.570 -0.022 0.000 2.598 195 I HA 0.307 4.510 4.170 0.055 0.000 0.284 195 I C 0.070 176.213 176.117 0.043 0.000 1.140 195 I CA 0.171 61.432 61.300 -0.064 0.000 1.420 195 I CB 0.605 38.502 38.000 -0.172 0.000 1.387 195 I HN 0.449 nan 8.210 nan 0.000 0.553 196 F N 7.012 126.870 119.950 -0.153 0.000 2.427 196 F HA 0.439 4.999 4.527 0.054 0.000 0.348 196 F C -0.524 175.247 175.800 -0.049 0.000 1.125 196 F CA -1.359 56.551 58.000 -0.151 0.000 0.989 196 F CB 0.756 39.520 39.000 -0.393 0.000 1.165 196 F HN 0.348 nan 8.300 nan 0.000 0.442 197 D N 6.672 126.915 120.400 -0.262 0.000 2.280 197 D HA 0.244 4.917 4.640 0.055 0.000 0.236 197 D C -0.979 174.873 176.300 -0.747 0.000 1.082 197 D CA -0.145 53.629 54.000 -0.376 0.000 0.834 197 D CB 2.187 42.946 40.800 -0.069 0.000 1.100 197 D HN 0.463 nan 8.370 nan 0.000 0.486 198 L N 4.013 124.724 121.223 -0.852 0.000 2.272 198 L HA 0.277 4.650 4.340 0.055 0.000 0.284 198 L C -1.058 175.572 176.870 -0.399 0.000 1.045 198 L CA -0.657 53.748 54.840 -0.725 0.000 0.842 198 L CB 1.118 42.748 42.059 -0.715 0.000 1.224 198 L HN 0.072 nan 8.230 nan 0.000 0.430 199 V N 5.990 125.712 119.914 -0.320 0.000 2.259 199 V HA 0.733 4.886 4.120 0.055 0.000 0.267 199 V C 0.756 176.744 176.094 -0.177 0.000 1.051 199 V CA -0.102 62.026 62.300 -0.286 0.000 0.830 199 V CB 0.392 32.005 31.823 -0.349 0.000 1.080 199 V HN 0.858 nan 8.190 nan 0.000 0.467 200 G N 3.253 111.963 108.800 -0.149 0.000 2.735 200 G HA2 0.683 4.676 3.960 0.055 0.000 0.301 200 G HA3 0.683 4.676 3.960 0.055 0.000 0.301 200 G C -0.935 173.991 174.900 0.043 0.000 1.279 200 G CA -0.589 44.480 45.100 -0.052 0.000 1.019 200 G HN 0.470 nan 8.290 nan 0.000 0.497 201 N N -1.077 117.696 118.700 0.120 0.000 2.966 201 N HA 0.243 5.016 4.740 0.055 0.000 0.314 201 N C 0.371 176.067 175.510 0.311 0.000 1.397 201 N CA -0.736 52.446 53.050 0.221 0.000 0.776 201 N CB 1.335 39.936 38.487 0.190 0.000 1.576 201 N HN 0.533 nan 8.380 nan 0.000 0.592 202 N N -1.236 117.662 118.700 0.330 0.000 2.314 202 N HA -0.005 4.768 4.740 0.055 0.000 0.200 202 N C -0.451 175.318 175.510 0.433 0.000 1.135 202 N CA -0.064 53.239 53.050 0.421 0.000 0.835 202 N CB -0.185 38.526 38.487 0.373 0.000 0.989 202 N HN 0.546 nan 8.380 nan 0.000 0.478 203 T N -3.836 110.785 114.554 0.110 0.000 2.906 203 T HA 0.470 4.853 4.350 0.055 0.000 0.295 203 T C -2.684 171.360 174.700 -1.092 0.000 1.075 203 T CA -1.577 60.116 62.100 -0.677 0.000 1.005 203 T CB 2.920 71.297 68.868 -0.818 0.000 1.136 203 T HN -0.224 nan 8.240 nan 0.000 0.498 204 P HA 0.239 nan 4.420 nan 0.000 0.257 204 P C 0.262 177.043 177.300 -0.865 0.000 1.281 204 P CA -0.019 62.174 63.100 -1.512 0.000 0.826 204 P CB -0.075 30.690 31.700 -1.559 0.000 1.237 205 I N -4.511 115.536 120.570 -0.872 0.000 3.354 205 I HA 0.547 4.750 4.170 0.055 0.000 0.316 205 I C -1.486 174.378 176.117 -0.422 0.000 1.182 205 I CA -1.885 59.055 61.300 -0.601 0.000 0.942 205 I CB 1.454 39.053 38.000 -0.668 0.000 1.299 205 I HN -0.240 nan 8.210 nan 0.000 0.473 206 F N 0.172 119.839 119.950 -0.472 0.000 2.661 206 F HA 0.517 5.082 4.527 0.063 0.000 0.347 206 F C 0.368 175.920 175.800 -0.413 0.000 1.086 206 F CA -0.743 57.008 58.000 -0.414 0.000 1.016 206 F CB 1.971 40.860 39.000 -0.186 0.000 1.368 206 F HN 0.381 nan 8.300 nan 0.000 0.505 207 F N 1.920 121.055 119.950 -1.358 0.000 2.325 207 F HA 0.074 4.631 4.527 0.051 0.000 0.299 207 F C 0.649 176.137 175.800 -0.519 0.000 1.090 207 F CA 0.731 58.114 58.000 -1.029 0.000 1.392 207 F CB 0.015 37.948 39.000 -1.779 0.000 1.053 207 F HN 0.122 nan 8.300 nan 0.000 0.521 208 I N -3.430 117.109 120.570 -0.051 0.000 3.002 208 I HA 0.371 4.574 4.170 0.055 0.000 0.310 208 I C 0.290 176.563 176.117 0.260 0.000 1.087 208 I CA -0.837 60.561 61.300 0.163 0.000 1.017 208 I CB 1.932 40.098 38.000 0.277 0.000 1.226 208 I HN -0.159 nan 8.210 nan 0.000 0.443 209 Q N 0.258 120.207 119.800 0.248 0.000 2.324 209 Q HA 0.146 4.519 4.340 0.055 0.000 0.207 209 Q C -0.291 175.887 176.000 0.297 0.000 0.928 209 Q CA 0.533 56.521 55.803 0.308 0.000 0.890 209 Q CB 0.536 29.520 28.738 0.410 0.000 1.001 209 Q HN 0.649 nan 8.270 nan 0.000 0.517 210 D N -0.941 119.605 120.400 0.243 0.000 2.375 210 D HA 0.305 4.978 4.640 0.055 0.000 0.247 210 D C 0.097 176.524 176.300 0.212 0.000 1.061 210 D CA -0.192 53.921 54.000 0.187 0.000 0.834 210 D CB 1.860 42.740 40.800 0.135 0.000 1.247 210 D HN 0.065 nan 8.370 nan 0.000 0.489 211 A N 3.456 126.370 122.820 0.156 0.000 2.024 211 A HA -0.252 4.101 4.320 0.055 0.000 0.220 211 A C 1.809 179.510 177.584 0.195 0.000 1.164 211 A CA 1.763 53.887 52.037 0.145 0.000 0.643 211 A CB -0.793 18.236 19.000 0.049 0.000 0.806 211 A HN 0.825 nan 8.150 nan 0.000 0.451 212 H N 0.092 119.221 119.070 0.098 0.000 2.457 212 H HA -0.031 4.561 4.556 0.060 0.000 0.297 212 H C 1.514 176.922 175.328 0.133 0.000 1.092 212 H CA 1.937 58.036 56.048 0.086 0.000 1.309 212 H CB 0.034 29.823 29.762 0.045 0.000 1.382 212 H HN 0.426 nan 8.280 nan 0.000 0.535 213 K N -0.579 119.944 120.400 0.206 0.000 2.444 213 K HA -0.032 4.321 4.320 0.055 0.000 0.193 213 K C 1.306 178.053 176.600 0.245 0.000 1.024 213 K CA -0.011 56.398 56.287 0.203 0.000 1.077 213 K CB 0.070 32.744 32.500 0.290 0.000 0.833 213 K HN 0.300 nan 8.250 nan 0.000 0.517 214 F N 2.818 122.826 119.950 0.097 0.000 2.134 214 F HA -0.106 4.442 4.527 0.034 0.000 0.299 214 F C -1.033 174.789 175.800 0.037 0.000 1.097 214 F CA 1.084 59.173 58.000 0.148 0.000 1.264 214 F CB -0.281 38.789 39.000 0.117 0.000 1.001 214 F HN 0.011 nan 8.300 nan 0.000 0.479 215 P HA -0.107 nan 4.420 nan 0.000 0.221 215 P C 0.894 177.871 177.300 -0.538 0.000 1.150 215 P CA 1.456 64.331 63.100 -0.375 0.000 0.800 215 P CB -0.027 31.461 31.700 -0.353 0.000 0.787 216 D N -1.261 118.978 120.400 -0.269 0.000 2.103 216 D HA -0.136 4.538 4.640 0.055 0.000 0.199 216 D C 1.755 177.762 176.300 -0.490 0.000 0.978 216 D CA 1.015 54.890 54.000 -0.209 0.000 0.829 216 D CB -0.778 40.079 40.800 0.095 0.000 0.981 216 D HN 0.169 nan 8.370 nan 0.000 0.464 217 F N 1.793 121.352 119.950 -0.650 0.000 2.113 217 F HA -0.192 4.362 4.527 0.045 0.000 0.297 217 F C 2.220 177.636 175.800 -0.640 0.000 1.103 217 F CA 1.035 58.440 58.000 -0.992 0.000 1.248 217 F CB -0.173 38.497 39.000 -0.551 0.000 0.999 217 F HN -0.262 nan 8.300 nan 0.000 0.475 218 V N 0.377 119.875 119.914 -0.694 0.000 2.343 218 V HA -0.327 3.826 4.120 0.055 0.000 0.247 218 V C 2.278 178.165 176.094 -0.345 0.000 1.051 218 V CA 2.420 64.363 62.300 -0.595 0.000 1.036 218 V CB -1.003 30.495 31.823 -0.541 0.000 0.654 218 V HN 0.472 nan 8.190 nan 0.000 0.451 219 H N -0.345 118.501 119.070 -0.374 0.000 2.387 219 H HA -0.124 4.466 4.556 0.057 0.000 0.299 219 H C 2.296 177.471 175.328 -0.255 0.000 1.090 219 H CA 1.038 56.944 56.048 -0.237 0.000 1.332 219 H CB 0.065 29.736 29.762 -0.153 0.000 1.386 219 H HN 0.493 nan 8.280 nan 0.000 0.516 220 A N 0.389 123.023 122.820 -0.309 0.000 1.968 220 A HA -0.082 4.271 4.320 0.055 0.000 0.217 220 A C 2.464 179.881 177.584 -0.279 0.000 1.169 220 A CA 1.140 52.990 52.037 -0.312 0.000 0.638 220 A CB -0.545 18.148 19.000 -0.513 0.000 0.812 220 A HN 0.295 nan 8.150 nan 0.000 0.446 221 V N -0.255 119.367 119.914 -0.487 0.000 2.788 221 V HA 0.012 4.165 4.120 0.055 0.000 0.251 221 V C 0.936 176.993 176.094 -0.062 0.000 1.068 221 V CA 0.742 62.834 62.300 -0.347 0.000 1.090 221 V CB -0.441 30.989 31.823 -0.656 0.000 0.710 221 V HN 0.332 nan 8.190 nan 0.000 0.467 222 K N 1.019 121.351 120.400 -0.114 0.000 2.187 222 K HA 0.198 4.551 4.320 0.055 0.000 0.247 222 K C -2.282 174.270 176.600 -0.080 0.000 1.019 222 K CA -1.498 54.739 56.287 -0.084 0.000 0.893 222 K CB -0.317 32.126 32.500 -0.096 0.000 1.025 222 K HN 0.172 nan 8.250 nan 0.000 0.500 223 P HA -0.018 nan 4.420 nan 0.000 0.266 223 P C -0.550 176.691 177.300 -0.097 0.000 1.195 223 P CA 0.413 63.380 63.100 -0.221 0.000 0.768 223 P CB 0.359 31.933 31.700 -0.209 0.000 0.838 224 E N 5.072 125.261 120.200 -0.019 0.000 2.398 224 E HA -0.001 4.382 4.350 0.055 0.000 0.263 224 E C -1.233 175.444 176.600 0.128 0.000 1.046 224 E CA -1.305 55.188 56.400 0.156 0.000 0.908 224 E CB 0.116 30.039 29.700 0.371 0.000 0.963 224 E HN 0.424 nan 8.360 nan 0.000 0.431 225 P HA -0.196 nan 4.420 nan 0.000 0.221 225 P C 0.999 178.370 177.300 0.118 0.000 1.150 225 P CA 1.378 64.523 63.100 0.075 0.000 0.800 225 P CB 0.027 31.751 31.700 0.041 0.000 0.787 226 H N -0.896 118.222 119.070 0.079 0.000 2.326 226 H HA -0.081 4.508 4.556 0.054 0.000 0.301 226 H C 1.456 176.894 175.328 0.182 0.000 1.081 226 H CA 1.478 57.562 56.048 0.059 0.000 1.334 226 H CB -1.293 28.436 29.762 -0.054 0.000 1.385 226 H HN 0.318 nan 8.280 nan 0.000 0.504 227 W N -0.072 120.863 121.300 -0.607 0.000 2.714 227 W HA 0.692 5.383 4.660 0.053 0.000 0.353 227 W C 0.392 176.743 176.519 -0.280 0.000 0.999 227 W CA -0.989 56.118 57.345 -0.396 0.000 1.629 227 W CB -0.659 28.534 29.460 -0.445 0.000 1.106 227 W HN 0.429 nan 8.180 nan 0.000 0.545 228 A N 1.408 124.183 122.820 -0.074 0.000 2.667 228 A HA -0.141 4.212 4.320 0.055 0.000 0.298 228 A C -0.457 176.887 177.584 -0.400 0.000 1.483 228 A CA 1.430 53.356 52.037 -0.185 0.000 0.738 228 A CB -2.396 16.527 19.000 -0.129 0.000 1.067 228 A HN 0.462 nan 8.150 nan 0.000 0.451 229 I N 0.492 120.690 120.570 -0.621 0.000 2.686 229 I HA 0.562 4.765 4.170 0.055 0.000 0.295 229 I C -2.499 173.316 176.117 -0.504 0.000 1.114 229 I CA -2.357 58.479 61.300 -0.774 0.000 1.038 229 I CB 3.003 40.047 38.000 -1.592 0.000 1.238 229 I HN 0.210 nan 8.210 nan 0.000 0.420 230 P HA 0.331 nan 4.420 nan 0.000 0.295 230 P C -1.621 175.517 177.300 -0.270 0.000 1.319 230 P CA -0.882 62.001 63.100 -0.361 0.000 0.940 230 P CB 1.744 33.305 31.700 -0.232 0.000 1.192 231 Q N 0.681 120.368 119.800 -0.189 0.000 2.267 231 Q HA 0.498 4.871 4.340 0.055 0.000 0.255 231 Q C 1.067 177.028 176.000 -0.066 0.000 0.923 231 Q CA 0.975 56.702 55.803 -0.126 0.000 0.925 231 Q CB -0.206 28.468 28.738 -0.106 0.000 1.195 231 Q HN 0.821 nan 8.270 nan 0.000 0.417 232 G N 3.137 111.910 108.800 -0.046 0.000 2.160 232 G HA2 -0.279 3.714 3.960 0.055 0.000 0.251 232 G HA3 -0.279 3.714 3.960 0.055 0.000 0.251 232 G C -0.423 174.491 174.900 0.024 0.000 1.008 232 G CA 0.500 45.599 45.100 -0.002 0.000 0.724 232 G HN 0.543 nan 8.290 nan 0.000 0.514 233 Q N -0.970 118.832 119.800 0.002 0.000 2.315 233 Q HA 0.562 4.936 4.340 0.055 0.000 0.273 233 Q C 0.730 176.742 176.000 0.021 0.000 1.053 233 Q CA -0.158 55.675 55.803 0.050 0.000 0.817 233 Q CB 1.819 30.631 28.738 0.124 0.000 1.326 233 Q HN 0.456 nan 8.270 nan 0.000 0.423 234 S N -0.557 115.058 115.700 -0.141 0.000 2.575 234 S HA 0.204 4.707 4.470 0.055 0.000 0.215 234 S C 0.861 175.377 174.600 -0.140 0.000 0.966 234 S CA -0.007 57.875 58.200 -0.529 0.000 0.911 234 S CB 0.300 62.655 63.200 -1.409 0.000 0.780 234 S HN 0.592 nan 8.310 nan 0.000 0.514 235 A N 2.260 125.218 122.820 0.229 0.000 3.091 235 A HA 0.545 4.898 4.320 0.055 0.000 0.264 235 A C 0.070 177.900 177.584 0.409 0.000 1.673 235 A CA -0.640 51.615 52.037 0.364 0.000 1.362 235 A CB -1.154 18.011 19.000 0.275 0.000 1.137 235 A HN 0.890 nan 8.150 nan 0.000 0.617 236 H N -3.700 115.569 119.070 0.333 0.000 3.014 236 H HA 0.495 5.083 4.556 0.053 0.000 0.337 236 H C -0.308 175.221 175.328 0.335 0.000 1.320 236 H CA -0.763 55.445 56.048 0.267 0.000 1.128 236 H CB 0.308 30.184 29.762 0.189 0.000 1.862 236 H HN 0.055 nan 8.280 nan 0.000 0.536 237 D N 0.295 120.874 120.400 0.298 0.000 2.116 237 D HA -0.203 4.470 4.640 0.055 0.000 0.193 237 D C 2.114 178.486 176.300 0.119 0.000 0.998 237 D CA 3.062 57.173 54.000 0.185 0.000 0.836 237 D CB -0.335 40.547 40.800 0.137 0.000 0.951 237 D HN 0.787 nan 8.370 nan 0.000 0.449 238 T N -1.770 112.855 114.554 0.119 0.000 2.867 238 T HA -0.179 4.205 4.350 0.055 0.000 0.268 238 T C 1.886 176.534 174.700 -0.086 0.000 1.057 238 T CA 0.603 62.733 62.100 0.050 0.000 1.136 238 T CB -0.623 68.317 68.868 0.120 0.000 0.874 238 T HN 0.171 nan 8.240 nan 0.000 0.466 239 F N 0.623 120.277 119.950 -0.494 0.000 2.113 239 F HA 0.135 4.693 4.527 0.051 0.000 0.297 239 F C 1.839 177.371 175.800 -0.447 0.000 1.103 239 F CA 0.521 58.138 58.000 -0.639 0.000 1.248 239 F CB -0.560 37.852 39.000 -0.981 0.000 0.999 239 F HN 0.134 nan 8.300 nan 0.000 0.475 240 W N 0.724 121.957 121.300 -0.111 0.000 2.425 240 W HA -0.096 4.601 4.660 0.062 0.000 0.277 240 W C 2.284 178.723 176.519 -0.133 0.000 1.231 240 W CA 1.019 58.284 57.345 -0.134 0.000 1.248 240 W CB -0.540 28.931 29.460 0.019 0.000 1.117 240 W HN 0.100 nan 8.180 nan 0.000 0.568 241 D N -0.609 119.837 120.400 0.076 0.000 2.084 241 D HA -0.297 4.376 4.640 0.055 0.000 0.194 241 D C 1.888 178.198 176.300 0.017 0.000 0.990 241 D CA 1.538 55.568 54.000 0.049 0.000 0.826 241 D CB -0.568 40.269 40.800 0.062 0.000 0.971 241 D HN 0.197 nan 8.370 nan 0.000 0.453 242 Y N 0.354 120.551 120.300 -0.171 0.000 2.145 242 Y HA -0.184 4.401 4.550 0.058 0.000 0.286 242 Y C 2.276 178.046 175.900 -0.217 0.000 1.145 242 Y CA 1.536 59.524 58.100 -0.187 0.000 1.148 242 Y CB -0.398 37.907 38.460 -0.257 0.000 0.981 242 Y HN -0.104 nan 8.280 nan 0.000 0.507 243 V N 0.179 119.983 119.914 -0.182 0.000 2.287 243 V HA -0.356 3.797 4.120 0.055 0.000 0.248 243 V C 2.599 178.641 176.094 -0.087 0.000 1.053 243 V CA 2.302 64.477 62.300 -0.210 0.000 1.027 243 V CB -1.243 30.334 31.823 -0.409 0.000 0.646 243 V HN 0.671 nan 8.190 nan 0.000 0.447 244 S N -0.256 115.439 115.700 -0.009 0.000 2.442 244 S HA -0.059 4.444 4.470 0.055 0.000 0.236 244 S C 1.684 176.255 174.600 -0.048 0.000 1.007 244 S CA 1.354 59.568 58.200 0.023 0.000 0.965 244 S CB -0.459 62.781 63.200 0.067 0.000 0.773 244 S HN 0.566 nan 8.310 nan 0.000 0.504 245 L N -0.065 121.084 121.223 -0.124 0.000 2.585 245 L HA 0.324 4.697 4.340 0.055 0.000 0.226 245 L C 0.535 177.240 176.870 -0.275 0.000 1.113 245 L CA 0.109 54.848 54.840 -0.169 0.000 0.876 245 L CB 0.022 41.984 42.059 -0.162 0.000 1.072 245 L HN 0.243 nan 8.230 nan 0.000 0.468 246 Q N 0.462 120.057 119.800 -0.342 0.000 3.244 246 Q HA 0.227 4.601 4.340 0.055 0.000 0.249 246 Q C -1.937 173.844 176.000 -0.365 0.000 0.951 246 Q CA -1.409 54.146 55.803 -0.414 0.000 0.740 246 Q CB 1.519 29.895 28.738 -0.604 0.000 1.334 246 Q HN -0.001 nan 8.270 nan 0.000 0.448 247 P HA -0.215 nan 4.420 nan 0.000 0.225 247 P C 0.934 177.905 177.300 -0.548 0.000 1.148 247 P CA 1.070 63.920 63.100 -0.415 0.000 0.779 247 P CB 0.258 31.730 31.700 -0.380 0.000 0.780 248 E N 0.742 120.469 120.200 -0.788 0.000 2.267 248 E HA -0.187 4.197 4.350 0.055 0.000 0.197 248 E C 1.473 178.006 176.600 -0.112 0.000 0.998 248 E CA 1.875 58.056 56.400 -0.365 0.000 0.830 248 E CB -1.382 28.193 29.700 -0.208 0.000 0.751 248 E HN 0.297 nan 8.360 nan 0.000 0.491 249 T N -0.502 113.996 114.554 -0.094 0.000 3.007 249 T HA -0.022 4.361 4.350 0.055 0.000 0.270 249 T C 1.937 176.700 174.700 0.105 0.000 1.107 249 T CA 0.575 62.693 62.100 0.030 0.000 1.118 249 T CB -0.300 68.603 68.868 0.058 0.000 0.889 249 T HN 0.150 nan 8.240 nan 0.000 0.506 250 L N -0.137 121.149 121.223 0.105 0.000 2.141 250 L HA -0.009 4.365 4.340 0.055 0.000 0.209 250 L C 2.841 179.878 176.870 0.278 0.000 1.094 250 L CA 1.480 56.456 54.840 0.227 0.000 0.763 250 L CB -0.705 41.499 42.059 0.241 0.000 0.908 250 L HN 0.465 nan 8.230 nan 0.000 0.437 251 H N 0.136 119.253 119.070 0.079 0.000 2.290 251 H HA -0.221 4.369 4.556 0.056 0.000 0.298 251 H C 2.144 177.472 175.328 0.000 0.000 1.087 251 H CA 1.881 57.972 56.048 0.071 0.000 1.291 251 H CB 0.227 29.998 29.762 0.015 0.000 1.369 251 H HN 0.363 nan 8.280 nan 0.000 0.492 252 N N -0.136 118.391 118.700 -0.289 0.000 2.244 252 N HA -0.134 4.640 4.740 0.055 0.000 0.183 252 N C 1.994 177.328 175.510 -0.292 0.000 1.016 252 N CA 0.838 53.497 53.050 -0.653 0.000 0.866 252 N CB 0.245 37.861 38.487 -1.451 0.000 0.980 252 N HN 0.124 nan 8.380 nan 0.000 0.430 253 V N 1.938 121.915 119.914 0.106 0.000 2.287 253 V HA -0.290 3.863 4.120 0.055 0.000 0.248 253 V C 2.538 178.771 176.094 0.231 0.000 1.053 253 V CA 1.371 63.880 62.300 0.348 0.000 1.027 253 V CB -0.413 31.667 31.823 0.427 0.000 0.646 253 V HN 0.394 nan 8.190 nan 0.000 0.447 254 M N -1.559 118.216 119.600 0.292 0.000 2.073 254 M HA -0.252 4.261 4.480 0.055 0.000 0.258 254 M C 2.093 178.383 176.300 -0.016 0.000 1.070 254 M CA 2.096 57.555 55.300 0.265 0.000 1.103 254 M CB -1.327 31.464 32.600 0.319 0.000 1.321 254 M HN 0.473 nan 8.290 nan 0.000 0.405 255 W N 0.503 121.528 121.300 -0.459 0.000 2.335 255 W HA -0.147 4.548 4.660 0.059 0.000 0.311 255 W C 2.867 179.319 176.519 -0.112 0.000 1.213 255 W CA 2.037 59.110 57.345 -0.454 0.000 1.274 255 W CB -1.106 28.020 29.460 -0.557 0.000 1.148 255 W HN 0.321 nan 8.180 nan 0.000 0.498 256 A N -0.768 122.132 122.820 0.133 0.000 1.930 256 A HA -0.171 4.183 4.320 0.055 0.000 0.217 256 A C 1.937 179.568 177.584 0.077 0.000 1.175 256 A CA 1.699 53.819 52.037 0.137 0.000 0.627 256 A CB -0.608 18.512 19.000 0.200 0.000 0.815 256 A HN 0.107 nan 8.150 nan 0.000 0.443 257 M N 0.787 120.388 119.600 0.001 0.000 2.394 257 M HA 0.005 4.518 4.480 0.055 0.000 0.264 257 M C 1.509 177.844 176.300 0.059 0.000 1.073 257 M CA 0.836 56.075 55.300 -0.102 0.000 1.111 257 M CB -1.487 30.789 32.600 -0.540 0.000 1.401 257 M HN 0.543 nan 8.290 nan 0.000 0.448 258 S N 0.577 116.370 115.700 0.154 0.000 2.606 258 S HA 0.032 4.535 4.470 0.055 0.000 0.257 258 S C 0.747 175.469 174.600 0.202 0.000 1.327 258 S CA -0.311 58.019 58.200 0.217 0.000 0.984 258 S CB 0.943 64.313 63.200 0.284 0.000 0.941 258 S HN 0.202 nan 8.310 nan 0.000 0.576 259 D N 0.337 120.877 120.400 0.234 0.000 2.350 259 D HA 0.015 4.688 4.640 0.055 0.000 0.216 259 D C 1.931 178.371 176.300 0.233 0.000 0.968 259 D CA 0.336 54.492 54.000 0.261 0.000 0.894 259 D CB -0.156 40.863 40.800 0.366 0.000 0.909 259 D HN 0.392 nan 8.370 nan 0.000 0.520 260 R N 0.268 120.896 120.500 0.213 0.000 2.117 260 R HA -0.103 4.270 4.340 0.055 0.000 0.243 260 R C 2.103 178.556 176.300 0.255 0.000 1.143 260 R CA 1.206 57.459 56.100 0.254 0.000 0.968 260 R CB -0.991 29.517 30.300 0.346 0.000 0.863 260 R HN 0.214 nan 8.270 nan 0.000 0.444 261 G N 1.194 110.131 108.800 0.228 0.000 2.679 261 G HA2 -0.049 3.945 3.960 0.055 0.000 0.212 261 G HA3 -0.049 3.945 3.960 0.055 0.000 0.212 261 G C 1.048 176.087 174.900 0.232 0.000 1.137 261 G CA 0.218 45.446 45.100 0.214 0.000 0.787 261 G HN 0.442 nan 8.290 nan 0.000 0.534 262 I N -2.010 118.706 120.570 0.243 0.000 2.925 262 I HA 0.360 4.563 4.170 0.055 0.000 0.296 262 I C -2.828 173.440 176.117 0.252 0.000 1.413 262 I CA -2.648 58.803 61.300 0.251 0.000 0.932 262 I CB 1.642 39.792 38.000 0.251 0.000 1.873 262 I HN -0.267 nan 8.210 nan 0.000 0.619 263 P HA 0.044 nan 4.420 nan 0.000 0.269 263 P C 0.619 178.073 177.300 0.256 0.000 1.209 263 P CA -0.132 63.081 63.100 0.188 0.000 0.776 263 P CB 1.060 32.803 31.700 0.071 0.000 0.876 264 R N 1.775 122.405 120.500 0.217 0.000 2.120 264 R HA -0.002 4.371 4.340 0.055 0.000 0.234 264 R C 0.304 176.761 176.300 0.262 0.000 1.123 264 R CA 1.425 57.695 56.100 0.284 0.000 0.975 264 R CB -0.411 30.018 30.300 0.215 0.000 0.866 264 R HN 0.544 nan 8.270 nan 0.000 0.446 265 S N -2.722 112.928 115.700 -0.084 0.000 2.580 265 S HA 0.186 4.690 4.470 0.055 0.000 0.281 265 S C -0.371 173.919 174.600 -0.515 0.000 1.129 265 S CA -0.858 57.130 58.200 -0.353 0.000 0.862 265 S CB 0.001 63.116 63.200 -0.142 0.000 1.090 265 S HN 0.100 nan 8.310 nan 0.000 0.451 266 Y N 2.738 122.643 120.300 -0.658 0.000 2.315 266 Y HA -0.005 4.579 4.550 0.057 0.000 0.288 266 Y C 2.373 177.906 175.900 -0.613 0.000 1.154 266 Y CA 1.345 58.922 58.100 -0.871 0.000 1.229 266 Y CB -0.349 37.178 38.460 -1.555 0.000 0.980 266 Y HN 0.593 nan 8.280 nan 0.000 0.540 267 R N -0.519 119.829 120.500 -0.252 0.000 2.237 267 R HA -0.054 4.319 4.340 0.055 0.000 0.219 267 R C 1.049 177.299 176.300 -0.083 0.000 1.080 267 R CA 1.534 57.549 56.100 -0.142 0.000 0.995 267 R CB -0.501 29.715 30.300 -0.139 0.000 0.875 267 R HN 0.352 nan 8.270 nan 0.000 0.462 268 T N -1.752 112.769 114.554 -0.054 0.000 3.313 268 T HA 0.367 4.750 4.350 0.055 0.000 0.263 268 T C 0.180 174.916 174.700 0.060 0.000 0.983 268 T CA -0.677 61.421 62.100 -0.003 0.000 0.963 268 T CB -0.100 68.753 68.868 -0.025 0.000 1.141 268 T HN 0.088 nan 8.240 nan 0.000 0.526 269 M N -1.197 118.481 119.600 0.131 0.000 2.619 269 M HA 0.738 5.251 4.480 0.055 0.000 0.297 269 M C -1.217 175.268 176.300 0.308 0.000 1.229 269 M CA -0.888 54.532 55.300 0.201 0.000 0.860 269 M CB 2.176 34.890 32.600 0.190 0.000 1.741 269 M HN -0.143 nan 8.290 nan 0.000 0.462 270 E N 0.314 120.694 120.200 0.301 0.000 2.314 270 E HA 0.684 5.067 4.350 0.055 0.000 0.262 270 E C -0.333 176.364 176.600 0.162 0.000 1.093 270 E CA -0.603 55.917 56.400 0.199 0.000 0.908 270 E CB 1.748 31.492 29.700 0.072 0.000 1.091 270 E HN 0.855 nan 8.360 nan 0.000 0.425 271 G N 0.571 109.289 108.800 -0.136 0.000 2.519 271 G HA2 0.648 4.641 3.960 0.055 0.000 0.307 271 G HA3 0.648 4.641 3.960 0.055 0.000 0.307 271 G C -1.496 172.980 174.900 -0.707 0.000 1.266 271 G CA -0.476 44.527 45.100 -0.162 0.000 0.970 271 G HN 0.295 nan 8.290 nan 0.000 0.481 272 F N -0.676 119.210 119.950 -0.106 0.000 2.619 272 F HA 0.487 5.046 4.527 0.053 0.000 0.308 272 F C 1.100 176.795 175.800 -0.175 0.000 1.097 272 F CA -0.502 57.350 58.000 -0.246 0.000 0.953 272 F CB 2.448 41.258 39.000 -0.316 0.000 1.287 272 F HN 0.618 nan 8.300 nan 0.000 0.446 273 G N -0.361 108.484 108.800 0.076 0.000 2.598 273 G HA2 0.075 4.068 3.960 0.055 0.000 0.215 273 G HA3 0.075 4.068 3.960 0.055 0.000 0.215 273 G C 0.836 175.814 174.900 0.130 0.000 1.131 273 G CA 0.792 46.002 45.100 0.184 0.000 0.785 273 G HN 1.020 nan 8.290 nan 0.000 0.539 274 C N -1.618 117.649 119.300 -0.054 0.000 5.885 274 C HA -0.168 4.325 4.460 0.055 0.000 0.327 274 C C 0.849 175.567 174.990 -0.453 0.000 2.426 274 C CA 0.786 59.604 59.018 -0.333 0.000 2.190 274 C CB -1.949 25.493 27.740 -0.496 0.000 3.229 274 C HN 0.617 nan 8.230 nan 0.000 0.266 275 H N 0.300 119.423 119.070 0.087 0.000 2.616 275 H HA 0.483 5.072 4.556 0.054 0.000 0.353 275 H C -0.070 175.254 175.328 -0.007 0.000 1.170 275 H CA 0.123 56.140 56.048 -0.051 0.000 1.212 275 H CB 0.729 30.310 29.762 -0.301 0.000 1.653 275 H HN 0.319 nan 8.280 nan 0.000 0.537 276 T N 2.839 117.405 114.554 0.019 0.000 2.799 276 T HA 0.204 4.587 4.350 0.055 0.000 0.296 276 T C 0.125 174.790 174.700 -0.058 0.000 0.947 276 T CA 0.237 62.330 62.100 -0.011 0.000 1.141 276 T CB -0.337 68.467 68.868 -0.107 0.000 0.891 276 T HN 0.214 nan 8.240 nan 0.000 0.533 277 F N 1.268 121.197 119.950 -0.036 0.000 2.629 277 F HA 0.662 5.220 4.527 0.051 0.000 0.386 277 F C 1.011 176.776 175.800 -0.059 0.000 1.135 277 F CA -1.366 56.633 58.000 -0.001 0.000 1.116 277 F CB 1.436 40.434 39.000 -0.003 0.000 1.426 277 F HN 0.193 nan 8.300 nan 0.000 0.501 278 R N 0.571 121.135 120.500 0.106 0.000 2.686 278 R HA 0.627 5.000 4.340 0.055 0.000 0.286 278 R C -1.550 174.632 176.300 -0.197 0.000 0.969 278 R CA -0.850 55.170 56.100 -0.132 0.000 0.898 278 R CB 1.977 32.124 30.300 -0.255 0.000 1.183 278 R HN 0.425 nan 8.270 nan 0.000 0.456 279 L N 3.301 124.356 121.223 -0.280 0.000 2.343 279 L HA 0.544 4.917 4.340 0.055 0.000 0.275 279 L C -0.339 176.365 176.870 -0.277 0.000 1.056 279 L CA -0.913 53.767 54.840 -0.267 0.000 0.804 279 L CB 1.062 42.962 42.059 -0.265 0.000 1.203 279 L HN 0.353 nan 8.230 nan 0.000 0.440 280 I N 1.976 122.407 120.570 -0.231 0.000 2.498 280 I HA 0.301 4.504 4.170 0.055 0.000 0.290 280 I C -0.428 175.595 176.117 -0.157 0.000 1.032 280 I CA -0.705 60.464 61.300 -0.219 0.000 1.073 280 I CB 1.540 39.418 38.000 -0.203 0.000 1.251 280 I HN 0.638 nan 8.210 nan 0.000 0.426 281 N N 4.463 123.085 118.700 -0.130 0.000 2.604 281 N HA 0.465 5.238 4.740 0.055 0.000 0.297 281 N C 0.787 176.252 175.510 -0.074 0.000 1.266 281 N CA -0.376 52.618 53.050 -0.093 0.000 0.961 281 N CB 0.595 39.035 38.487 -0.077 0.000 1.166 281 N HN 0.519 nan 8.380 nan 0.000 0.601 282 A N -0.373 122.414 122.820 -0.056 0.000 1.978 282 A HA -0.146 4.207 4.320 0.055 0.000 0.220 282 A C 1.595 179.156 177.584 -0.038 0.000 1.170 282 A CA 1.524 53.534 52.037 -0.044 0.000 0.636 282 A CB -0.864 18.116 19.000 -0.032 0.000 0.810 282 A HN 0.769 nan 8.150 nan 0.000 0.448 283 E N -1.550 118.629 120.200 -0.035 0.000 2.418 283 E HA 0.240 4.623 4.350 0.055 0.000 0.197 283 E C 1.306 177.894 176.600 -0.020 0.000 1.026 283 E CA 0.887 57.272 56.400 -0.026 0.000 0.862 283 E CB -0.146 29.540 29.700 -0.023 0.000 0.799 283 E HN 0.797 nan 8.360 nan 0.000 0.518 284 G N 0.957 109.741 108.800 -0.027 0.000 2.159 284 G HA2 -0.329 3.664 3.960 0.055 0.000 0.227 284 G HA3 -0.329 3.664 3.960 0.055 0.000 0.227 284 G C 0.222 175.137 174.900 0.025 0.000 0.986 284 G CA 0.153 45.255 45.100 0.004 0.000 0.651 284 G HN 0.271 nan 8.290 nan 0.000 0.523 285 K N 0.814 121.191 120.400 -0.038 0.000 2.298 285 K HA 0.672 5.025 4.320 0.055 0.000 0.280 285 K C 0.547 177.011 176.600 -0.226 0.000 1.032 285 K CA 0.221 56.461 56.287 -0.078 0.000 0.958 285 K CB 0.647 33.102 32.500 -0.075 0.000 0.978 285 K HN 0.633 nan 8.250 nan 0.000 0.472 286 A N 3.316 125.888 122.820 -0.414 0.000 2.312 286 A HA 0.472 4.825 4.320 0.055 0.000 0.326 286 A C -0.839 176.423 177.584 -0.536 0.000 1.172 286 A CA -0.565 51.057 52.037 -0.691 0.000 0.821 286 A CB 1.280 19.398 19.000 -1.470 0.000 1.166 286 A HN 0.737 nan 8.150 nan 0.000 0.493 287 T N 2.050 116.319 114.554 -0.475 0.000 2.848 287 T HA 0.528 4.912 4.350 0.055 0.000 0.285 287 T C -0.763 173.718 174.700 -0.365 0.000 0.995 287 T CA -0.112 61.771 62.100 -0.363 0.000 0.970 287 T CB 0.491 69.239 68.868 -0.200 0.000 0.976 287 T HN 0.336 nan 8.240 nan 0.000 0.441 288 F N 2.123 121.975 119.950 -0.162 0.000 2.484 288 F HA 0.528 5.087 4.527 0.054 0.000 0.360 288 F C 0.550 176.234 175.800 -0.194 0.000 1.101 288 F CA -0.440 57.464 58.000 -0.160 0.000 1.251 288 F CB 0.720 39.652 39.000 -0.114 0.000 1.132 288 F HN 0.190 nan 8.300 nan 0.000 0.570 289 V N 4.980 124.859 119.914 -0.059 0.000 2.841 289 V HA 0.619 4.772 4.120 0.055 0.000 0.310 289 V C -0.954 174.923 176.094 -0.363 0.000 1.090 289 V CA -0.751 61.358 62.300 -0.317 0.000 0.930 289 V CB 2.103 33.501 31.823 -0.708 0.000 1.014 289 V HN 0.772 nan 8.190 nan 0.000 0.425 290 R N 4.532 124.860 120.500 -0.287 0.000 2.670 290 R HA 0.580 4.953 4.340 0.055 0.000 0.289 290 R C -1.680 174.528 176.300 -0.153 0.000 0.965 290 R CA -0.480 55.484 56.100 -0.228 0.000 0.899 290 R CB 2.201 32.498 30.300 -0.005 0.000 1.173 290 R HN 0.581 nan 8.270 nan 0.000 0.456 291 F N 1.603 121.582 119.950 0.049 0.000 2.397 291 F HA 0.415 4.973 4.527 0.053 0.000 0.331 291 F C 0.854 176.564 175.800 -0.149 0.000 1.090 291 F CA -0.151 57.844 58.000 -0.009 0.000 1.065 291 F CB 1.073 39.950 39.000 -0.205 0.000 1.184 291 F HN 0.199 nan 8.300 nan 0.000 0.499 292 H N 0.658 119.712 119.070 -0.027 0.000 2.851 292 H HA 0.234 4.824 4.556 0.057 0.000 0.372 292 H C -1.634 173.459 175.328 -0.390 0.000 1.158 292 H CA -1.001 54.921 56.048 -0.210 0.000 1.159 292 H CB 2.028 31.754 29.762 -0.059 0.000 1.757 292 H HN 0.676 nan 8.280 nan 0.000 0.546 293 W N 2.425 123.620 121.300 -0.175 0.000 2.538 293 W HA 0.318 5.009 4.660 0.052 0.000 0.322 293 W C -0.148 176.408 176.519 0.061 0.000 1.028 293 W CA -0.765 56.531 57.345 -0.082 0.000 1.228 293 W CB 1.860 31.098 29.460 -0.369 0.000 1.356 293 W HN 0.256 nan 8.180 nan 0.000 0.452 294 K N 5.939 126.613 120.400 0.456 0.000 2.293 294 K HA 0.384 4.737 4.320 0.055 0.000 0.267 294 K C -2.451 174.367 176.600 0.363 0.000 1.010 294 K CA -1.864 54.620 56.287 0.329 0.000 0.875 294 K CB 1.499 34.137 32.500 0.230 0.000 1.106 294 K HN 0.054 nan 8.250 nan 0.000 0.450 295 P HA 0.056 nan 4.420 nan 0.000 0.276 295 P C 0.309 177.604 177.300 -0.008 0.000 1.243 295 P CA -0.128 63.014 63.100 0.071 0.000 0.768 295 P CB 0.889 32.652 31.700 0.105 0.000 0.856 296 L N 2.669 123.831 121.223 -0.101 0.000 2.478 296 L HA -0.015 4.358 4.340 0.055 0.000 0.223 296 L C 2.155 179.000 176.870 -0.041 0.000 1.140 296 L CA 0.849 55.672 54.840 -0.028 0.000 0.842 296 L CB -0.481 41.573 42.059 -0.008 0.000 0.953 296 L HN 0.352 nan 8.230 nan 0.000 0.452 297 A N 0.113 122.879 122.820 -0.089 0.000 2.238 297 A HA 0.433 4.786 4.320 0.055 0.000 0.208 297 A C 1.215 178.792 177.584 -0.013 0.000 1.177 297 A CA 0.612 52.617 52.037 -0.054 0.000 0.804 297 A CB -0.459 18.492 19.000 -0.082 0.000 0.823 297 A HN 0.430 nan 8.150 nan 0.000 0.482 298 G N -0.510 108.297 108.800 0.011 0.000 2.746 298 G HA2 -0.132 3.861 3.960 0.055 0.000 0.685 298 G HA3 -0.132 3.861 3.960 0.055 0.000 0.685 298 G C -0.656 174.270 174.900 0.044 0.000 1.350 298 G CA -0.503 44.624 45.100 0.045 0.000 0.837 298 G HN 0.464 nan 8.290 nan 0.000 0.564 299 K N 0.205 120.639 120.400 0.056 0.000 2.201 299 K HA 0.689 5.042 4.320 0.055 0.000 0.278 299 K C 0.261 176.855 176.600 -0.009 0.000 1.027 299 K CA 0.284 56.587 56.287 0.027 0.000 0.909 299 K CB 1.674 34.178 32.500 0.008 0.000 1.062 299 K HN 1.417 nan 8.250 nan 0.000 0.465 300 A N 1.887 124.687 122.820 -0.032 0.000 2.488 300 A HA 0.564 4.918 4.320 0.055 0.000 0.295 300 A C -1.083 176.541 177.584 0.066 0.000 1.045 300 A CA -0.691 51.282 52.037 -0.107 0.000 0.703 300 A CB 1.655 20.374 19.000 -0.470 0.000 1.271 300 A HN 0.515 nan 8.150 nan 0.000 0.400 301 S N 0.811 116.712 115.700 0.335 0.000 2.634 301 S HA 0.739 5.242 4.470 0.055 0.000 0.296 301 S C 0.078 174.992 174.600 0.522 0.000 1.104 301 S CA -0.629 57.804 58.200 0.388 0.000 0.920 301 S CB 1.157 64.572 63.200 0.358 0.000 1.111 301 S HN 0.650 nan 8.310 nan 0.000 0.493 302 L N 1.379 122.798 121.223 0.326 0.000 2.470 302 L HA 0.414 4.788 4.340 0.055 0.000 0.243 302 L C 0.138 177.117 176.870 0.183 0.000 1.227 302 L CA -0.657 54.294 54.840 0.186 0.000 0.824 302 L CB 0.006 42.087 42.059 0.037 0.000 1.175 302 L HN 0.471 nan 8.230 nan 0.000 0.503 303 V N -2.949 116.971 119.914 0.010 0.000 2.732 303 V HA 0.165 4.318 4.120 0.055 0.000 0.310 303 V C 0.681 176.708 176.094 -0.112 0.000 1.053 303 V CA -0.809 61.460 62.300 -0.052 0.000 0.957 303 V CB 1.575 33.352 31.823 -0.077 0.000 1.018 303 V HN 0.940 nan 8.190 nan 0.000 0.452 304 W N 2.043 123.201 121.300 -0.237 0.000 2.333 304 W HA -0.223 4.470 4.660 0.054 0.000 0.316 304 W C 1.802 178.163 176.519 -0.264 0.000 1.215 304 W CA 2.525 59.727 57.345 -0.238 0.000 1.278 304 W CB -0.108 29.193 29.460 -0.264 0.000 1.154 304 W HN 0.995 nan 8.180 nan 0.000 0.486 305 D N 0.258 120.394 120.400 -0.441 0.000 2.133 305 D HA -0.304 4.369 4.640 0.055 0.000 0.195 305 D C 2.125 178.066 176.300 -0.598 0.000 0.997 305 D CA 2.256 55.958 54.000 -0.497 0.000 0.840 305 D CB -0.486 40.274 40.800 -0.067 0.000 0.947 305 D HN 0.417 nan 8.370 nan 0.000 0.452 306 E N -0.510 119.225 120.200 -0.774 0.000 2.046 306 E HA -0.149 4.235 4.350 0.055 0.000 0.190 306 E C 2.059 178.309 176.600 -0.583 0.000 0.982 306 E CA 0.904 56.770 56.400 -0.890 0.000 0.800 306 E CB -0.225 28.845 29.700 -1.049 0.000 0.756 306 E HN 0.285 nan 8.360 nan 0.000 0.449 307 A N 1.357 123.859 122.820 -0.529 0.000 1.883 307 A HA -0.285 4.068 4.320 0.055 0.000 0.217 307 A C 2.197 179.440 177.584 -0.568 0.000 1.186 307 A CA 1.952 53.719 52.037 -0.449 0.000 0.624 307 A CB -0.756 18.080 19.000 -0.273 0.000 0.822 307 A HN 0.475 nan 8.150 nan 0.000 0.444 308 Q N -0.601 118.660 119.800 -0.898 0.000 2.083 308 Q HA -0.165 4.208 4.340 0.055 0.000 0.198 308 Q C 2.176 177.896 176.000 -0.466 0.000 0.969 308 Q CA 1.701 56.997 55.803 -0.846 0.000 0.838 308 Q CB -0.155 27.793 28.738 -1.318 0.000 0.900 308 Q HN 0.666 nan 8.270 nan 0.000 0.436 309 K N 0.068 120.216 120.400 -0.419 0.000 2.097 309 K HA -0.154 4.199 4.320 0.055 0.000 0.206 309 K C 2.079 178.534 176.600 -0.242 0.000 1.049 309 K CA 0.809 56.941 56.287 -0.259 0.000 0.933 309 K CB -0.058 32.333 32.500 -0.183 0.000 0.717 309 K HN 0.192 nan 8.250 nan 0.000 0.442 310 L N 1.452 122.487 121.223 -0.314 0.000 2.131 310 L HA -0.151 4.222 4.340 0.055 0.000 0.210 310 L C 2.243 178.973 176.870 -0.233 0.000 1.092 310 L CA 2.254 56.905 54.840 -0.315 0.000 0.759 310 L CB -1.009 40.770 42.059 -0.467 0.000 0.903 310 L HN 0.359 nan 8.230 nan 0.000 0.435 311 T N -4.197 110.225 114.554 -0.220 0.000 2.803 311 T HA -0.106 4.277 4.350 0.055 0.000 0.269 311 T C 1.876 176.512 174.700 -0.106 0.000 1.052 311 T CA 1.106 63.119 62.100 -0.144 0.000 1.136 311 T CB -1.072 67.722 68.868 -0.123 0.000 0.864 311 T HN 0.388 nan 8.240 nan 0.000 0.467 312 G N 1.091 109.822 108.800 -0.116 0.000 2.408 312 G HA2 -0.012 3.981 3.960 0.055 0.000 0.213 312 G HA3 -0.012 3.981 3.960 0.055 0.000 0.213 312 G C 1.920 176.775 174.900 -0.074 0.000 1.177 312 G CA -0.195 44.854 45.100 -0.085 0.000 0.802 312 G HN 0.312 nan 8.290 nan 0.000 0.533 313 R N 0.233 120.679 120.500 -0.091 0.000 2.115 313 R HA 0.053 4.426 4.340 0.055 0.000 0.226 313 R C -0.170 176.102 176.300 -0.047 0.000 1.100 313 R CA 0.771 56.831 56.100 -0.067 0.000 0.980 313 R CB -0.192 30.059 30.300 -0.082 0.000 0.875 313 R HN 0.343 nan 8.270 nan 0.000 0.445 314 D N -0.536 119.830 120.400 -0.057 0.000 2.411 314 D HA 0.147 4.820 4.640 0.055 0.000 0.239 314 D C -2.162 174.135 176.300 -0.004 0.000 1.307 314 D CA -1.729 52.269 54.000 -0.004 0.000 0.930 314 D CB 1.431 42.274 40.800 0.072 0.000 1.395 314 D HN -0.146 nan 8.370 nan 0.000 0.536 315 P HA 0.037 nan 4.420 nan 0.000 0.230 315 P C 0.065 177.369 177.300 0.007 0.000 1.158 315 P CA 0.517 63.604 63.100 -0.022 0.000 0.769 315 P CB 0.488 32.173 31.700 -0.025 0.000 0.807 316 D N -1.227 119.187 120.400 0.023 0.000 2.395 316 D HA 0.060 4.733 4.640 0.055 0.000 0.226 316 D C 1.230 177.567 176.300 0.061 0.000 1.146 316 D CA -0.373 53.646 54.000 0.033 0.000 0.830 316 D CB -0.595 40.202 40.800 -0.006 0.000 0.958 316 D HN 0.143 nan 8.370 nan 0.000 0.501 317 F N 1.181 121.071 119.950 -0.100 0.000 2.095 317 F HA -0.239 4.320 4.527 0.055 0.000 0.298 317 F C 2.056 177.823 175.800 -0.055 0.000 1.104 317 F CA 1.840 59.774 58.000 -0.110 0.000 1.232 317 F CB 0.070 38.946 39.000 -0.206 0.000 0.987 317 F HN 0.104 nan 8.300 nan 0.000 0.475 318 H N -1.120 117.864 119.070 -0.143 0.000 2.395 318 H HA -0.073 4.515 4.556 0.055 0.000 0.299 318 H C 2.368 177.583 175.328 -0.187 0.000 1.070 318 H CA 0.870 56.681 56.048 -0.396 0.000 1.356 318 H CB -0.125 29.245 29.762 -0.654 0.000 1.401 318 H HN 0.174 nan 8.280 nan 0.000 0.524 319 R N 1.275 121.868 120.500 0.155 0.000 2.091 319 R HA -0.145 4.229 4.340 0.055 0.000 0.238 319 R C 2.417 178.818 176.300 0.167 0.000 1.136 319 R CA 1.416 57.657 56.100 0.236 0.000 0.959 319 R CB -0.035 30.390 30.300 0.209 0.000 0.856 319 R HN 0.211 nan 8.270 nan 0.000 0.437 320 R N 0.215 120.735 120.500 0.033 0.000 2.073 320 R HA -0.111 4.262 4.340 0.055 0.000 0.229 320 R C 2.121 178.422 176.300 0.001 0.000 1.120 320 R CA 1.396 57.502 56.100 0.010 0.000 0.967 320 R CB -0.180 30.092 30.300 -0.046 0.000 0.862 320 R HN 0.250 nan 8.270 nan 0.000 0.436 321 E N 0.787 120.881 120.200 -0.177 0.000 2.077 321 E HA -0.205 4.178 4.350 0.055 0.000 0.193 321 E C 1.985 178.555 176.600 -0.051 0.000 0.989 321 E CA 1.082 57.345 56.400 -0.228 0.000 0.800 321 E CB -0.061 29.321 29.700 -0.529 0.000 0.746 321 E HN 0.253 nan 8.360 nan 0.000 0.452 322 L N 0.732 121.971 121.223 0.026 0.000 2.027 322 L HA -0.140 4.234 4.340 0.055 0.000 0.206 322 L C 2.235 179.211 176.870 0.176 0.000 1.074 322 L CA 1.811 56.714 54.840 0.105 0.000 0.745 322 L CB -0.925 41.254 42.059 0.201 0.000 0.898 322 L HN 0.301 nan 8.230 nan 0.000 0.433 323 W N 0.855 122.191 121.300 0.060 0.000 2.358 323 W HA -0.192 4.500 4.660 0.053 0.000 0.303 323 W C 2.195 178.747 176.519 0.054 0.000 1.208 323 W CA 2.070 59.464 57.345 0.082 0.000 1.274 323 W CB -0.102 29.410 29.460 0.086 0.000 1.138 323 W HN 0.348 nan 8.180 nan 0.000 0.515 324 E N -0.098 120.279 120.200 0.295 0.000 2.152 324 E HA -0.110 4.274 4.350 0.055 0.000 0.192 324 E C 2.363 178.999 176.600 0.060 0.000 0.983 324 E CA 0.968 57.466 56.400 0.164 0.000 0.818 324 E CB -0.275 29.475 29.700 0.083 0.000 0.758 324 E HN 0.170 nan 8.360 nan 0.000 0.467 325 A N 1.220 124.073 122.820 0.054 0.000 1.902 325 A HA -0.180 4.173 4.320 0.055 0.000 0.217 325 A C 2.133 179.755 177.584 0.062 0.000 1.181 325 A CA 1.069 53.132 52.037 0.043 0.000 0.623 325 A CB -0.509 18.514 19.000 0.038 0.000 0.818 325 A HN 0.139 nan 8.150 nan 0.000 0.443 326 I N -0.561 120.066 120.570 0.095 0.000 2.202 326 I HA -0.224 3.979 4.170 0.055 0.000 0.242 326 I C 2.473 178.680 176.117 0.149 0.000 1.091 326 I CA 1.362 62.775 61.300 0.187 0.000 1.368 326 I CB -0.500 37.530 38.000 0.049 0.000 1.058 326 I HN 0.421 nan 8.210 nan 0.000 0.410 327 E N 0.989 121.214 120.200 0.043 0.000 2.130 327 E HA -0.241 4.142 4.350 0.055 0.000 0.196 327 E C 2.162 178.783 176.600 0.035 0.000 0.998 327 E CA 1.449 57.884 56.400 0.057 0.000 0.806 327 E CB -0.156 29.605 29.700 0.102 0.000 0.738 327 E HN 0.518 nan 8.360 nan 0.000 0.459 328 A N 0.016 122.830 122.820 -0.010 0.000 2.167 328 A HA 0.175 4.528 4.320 0.055 0.000 0.214 328 A C 1.801 179.312 177.584 -0.121 0.000 1.151 328 A CA 1.035 53.038 52.037 -0.057 0.000 0.735 328 A CB -0.160 18.780 19.000 -0.099 0.000 0.802 328 A HN 0.358 nan 8.150 nan 0.000 0.467 329 G N -0.616 108.025 108.800 -0.266 0.000 2.157 329 G HA2 -0.195 3.798 3.960 0.055 0.000 0.248 329 G HA3 -0.195 3.798 3.960 0.055 0.000 0.248 329 G C -0.196 174.184 174.900 -0.867 0.000 0.979 329 G CA 0.258 44.865 45.100 -0.823 0.000 0.650 329 G HN 0.428 nan 8.290 nan 0.000 0.529 330 D N 0.838 121.009 120.400 -0.382 0.000 3.057 330 D HA 0.285 4.958 4.640 0.055 0.000 0.246 330 D C 0.761 177.018 176.300 -0.072 0.000 1.238 330 D CA -0.212 53.677 54.000 -0.186 0.000 0.949 330 D CB -0.655 40.138 40.800 -0.012 0.000 1.086 330 D HN 0.444 nan 8.370 nan 0.000 0.487 331 F N 1.344 121.297 119.950 0.005 0.000 2.578 331 F HA 0.095 4.656 4.527 0.056 0.000 0.381 331 F C -1.370 174.405 175.800 -0.042 0.000 1.069 331 F CA -1.932 56.064 58.000 -0.007 0.000 1.231 331 F CB 0.126 39.131 39.000 0.009 0.000 1.086 331 F HN -0.124 nan 8.300 nan 0.000 0.564 332 P HA 0.012 nan 4.420 nan 0.000 0.263 332 P C -1.109 176.146 177.300 -0.075 0.000 1.195 332 P CA 0.436 63.533 63.100 -0.004 0.000 0.762 332 P CB 0.430 32.211 31.700 0.136 0.000 0.799 333 E N 2.630 122.642 120.200 -0.314 0.000 2.222 333 E HA 0.442 4.825 4.350 0.055 0.000 0.267 333 E C -0.995 175.316 176.600 -0.482 0.000 0.884 333 E CA -0.567 55.710 56.400 -0.205 0.000 0.764 333 E CB 1.442 31.113 29.700 -0.048 0.000 1.169 333 E HN 0.390 nan 8.360 nan 0.000 0.413 334 Y N 0.313 120.682 120.300 0.116 0.000 2.477 334 Y HA 0.275 4.860 4.550 0.058 0.000 0.347 334 Y C -0.141 175.980 175.900 0.368 0.000 0.981 334 Y CA -1.046 57.196 58.100 0.238 0.000 1.033 334 Y CB 1.971 40.559 38.460 0.214 0.000 1.245 334 Y HN 0.467 nan 8.280 nan 0.000 0.455 335 E N 2.304 122.816 120.200 0.521 0.000 2.197 335 E HA 0.391 4.774 4.350 0.055 0.000 0.281 335 E C -1.473 175.400 176.600 0.455 0.000 0.995 335 E CA -0.930 55.722 56.400 0.420 0.000 0.808 335 E CB 1.029 30.910 29.700 0.302 0.000 1.093 335 E HN 0.561 nan 8.360 nan 0.000 0.394 336 L N 4.133 125.543 121.223 0.310 0.000 2.380 336 L HA 0.533 4.906 4.340 0.055 0.000 0.273 336 L C -0.106 176.656 176.870 -0.182 0.000 1.138 336 L CA 0.516 55.255 54.840 -0.169 0.000 0.832 336 L CB 1.080 42.980 42.059 -0.264 0.000 1.124 336 L HN 0.563 nan 8.230 nan 0.000 0.454 337 G N 4.433 113.144 108.800 -0.149 0.000 2.620 337 G HA2 0.574 4.567 3.960 0.055 0.000 0.301 337 G HA3 0.574 4.567 3.960 0.055 0.000 0.301 337 G C -1.620 173.379 174.900 0.164 0.000 1.347 337 G CA -0.500 44.553 45.100 -0.078 0.000 0.971 337 G HN 0.463 nan 8.290 nan 0.000 0.488 338 F N 0.322 120.276 119.950 0.007 0.000 2.507 338 F HA 0.396 4.957 4.527 0.056 0.000 0.325 338 F C 0.388 176.172 175.800 -0.027 0.000 1.116 338 F CA -0.994 57.006 58.000 0.000 0.000 0.930 338 F CB 2.557 41.538 39.000 -0.031 0.000 1.146 338 F HN 0.123 nan 8.300 nan 0.000 0.447 339 Q N 4.350 124.263 119.800 0.189 0.000 2.303 339 Q HA 0.512 4.885 4.340 0.055 0.000 0.257 339 Q C -1.048 174.991 176.000 0.064 0.000 0.941 339 Q CA -0.479 55.382 55.803 0.096 0.000 0.931 339 Q CB 2.192 30.994 28.738 0.107 0.000 1.215 339 Q HN 0.556 nan 8.270 nan 0.000 0.437 340 L N 4.067 125.334 121.223 0.073 0.000 2.341 340 L HA 0.584 4.957 4.340 0.055 0.000 0.278 340 L C -0.824 176.096 176.870 0.084 0.000 1.005 340 L CA -0.813 54.059 54.840 0.053 0.000 0.818 340 L CB 1.364 43.461 42.059 0.063 0.000 1.259 340 L HN 0.518 nan 8.230 nan 0.000 0.418 341 I N 4.326 124.962 120.570 0.110 0.000 2.468 341 I HA 0.387 4.590 4.170 0.055 0.000 0.285 341 I C -2.329 173.899 176.117 0.186 0.000 1.039 341 I CA -1.655 59.756 61.300 0.184 0.000 1.074 341 I CB 1.935 40.072 38.000 0.229 0.000 1.228 341 I HN 0.293 nan 8.210 nan 0.000 0.436 342 P HA 0.021 nan 4.420 nan 0.000 0.269 342 P C 0.705 178.059 177.300 0.091 0.000 1.217 342 P CA -0.121 63.009 63.100 0.050 0.000 0.783 342 P CB 0.782 32.507 31.700 0.042 0.000 0.898 343 E N 1.278 121.445 120.200 -0.054 0.000 2.153 343 E HA -0.243 4.140 4.350 0.055 0.000 0.194 343 E C 0.765 177.446 176.600 0.135 0.000 0.988 343 E CA 1.279 57.644 56.400 -0.058 0.000 0.811 343 E CB -0.017 29.554 29.700 -0.215 0.000 0.746 343 E HN 0.411 nan 8.360 nan 0.000 0.466 344 E N 0.628 120.879 120.200 0.085 0.000 2.418 344 E HA -0.106 4.277 4.350 0.055 0.000 0.197 344 E C 0.693 177.350 176.600 0.096 0.000 1.026 344 E CA 0.874 57.332 56.400 0.097 0.000 0.862 344 E CB 0.102 29.838 29.700 0.060 0.000 0.799 344 E HN 0.250 nan 8.360 nan 0.000 0.518 345 D N 0.265 120.724 120.400 0.099 0.000 2.340 345 D HA -0.029 4.644 4.640 0.055 0.000 0.217 345 D C 1.272 177.588 176.300 0.026 0.000 1.081 345 D CA 0.092 54.121 54.000 0.047 0.000 0.842 345 D CB 0.031 40.873 40.800 0.071 0.000 0.934 345 D HN 0.276 nan 8.370 nan 0.000 0.511 346 E N -0.126 120.076 120.200 0.003 0.000 2.136 346 E HA -0.224 4.160 4.350 0.055 0.000 0.202 346 E C 0.394 176.676 176.600 -0.530 0.000 1.019 346 E CA 1.202 57.397 56.400 -0.341 0.000 0.819 346 E CB -0.021 29.347 29.700 -0.553 0.000 0.739 346 E HN 0.286 nan 8.360 nan 0.000 0.458 347 F N -0.535 119.404 119.950 -0.019 0.000 2.684 347 F HA 0.271 4.832 4.527 0.055 0.000 0.298 347 F C 1.277 176.979 175.800 -0.164 0.000 1.120 347 F CA -0.271 57.691 58.000 -0.065 0.000 1.332 347 F CB 0.587 39.564 39.000 -0.037 0.000 0.986 347 F HN -0.184 nan 8.300 nan 0.000 0.524 348 K N 0.022 120.287 120.400 -0.224 0.000 2.444 348 K HA 0.128 4.482 4.320 0.055 0.000 0.193 348 K C -0.232 175.880 176.600 -0.813 0.000 1.024 348 K CA 0.379 56.351 56.287 -0.525 0.000 1.077 348 K CB 0.216 32.338 32.500 -0.629 0.000 0.833 348 K HN 0.165 nan 8.250 nan 0.000 0.517 349 F N 0.366 120.161 119.950 -0.257 0.000 2.572 349 F HA 0.112 4.673 4.527 0.056 0.000 0.342 349 F C 1.023 176.633 175.800 -0.315 0.000 1.064 349 F CA -1.251 56.506 58.000 -0.406 0.000 1.008 349 F CB 0.757 39.145 39.000 -1.019 0.000 1.303 349 F HN -0.051 nan 8.300 nan 0.000 0.492 350 D N -0.499 119.915 120.400 0.025 0.000 2.358 350 D HA 0.101 4.774 4.640 0.055 0.000 0.224 350 D C -0.532 175.878 176.300 0.184 0.000 1.123 350 D CA 0.045 54.106 54.000 0.102 0.000 0.833 350 D CB -0.794 40.090 40.800 0.141 0.000 0.946 350 D HN 0.247 nan 8.370 nan 0.000 0.505 351 F N -1.707 118.329 119.950 0.143 0.000 2.611 351 F HA 0.544 5.104 4.527 0.054 0.000 0.324 351 F C -0.271 175.532 175.800 0.004 0.000 1.061 351 F CA -1.697 56.313 58.000 0.016 0.000 0.954 351 F CB 0.990 39.950 39.000 -0.066 0.000 1.301 351 F HN -0.336 nan 8.300 nan 0.000 0.482 352 D N 1.776 122.208 120.400 0.053 0.000 2.312 352 D HA 0.181 4.854 4.640 0.055 0.000 0.252 352 D C 0.992 177.258 176.300 -0.057 0.000 1.150 352 D CA -0.012 53.969 54.000 -0.032 0.000 0.870 352 D CB 1.483 42.295 40.800 0.020 0.000 1.153 352 D HN 0.764 nan 8.370 nan 0.000 0.457 353 L N 3.439 124.560 121.223 -0.170 0.000 2.265 353 L HA -0.139 4.234 4.340 0.055 0.000 0.215 353 L C 1.939 178.696 176.870 -0.188 0.000 1.117 353 L CA 0.715 55.433 54.840 -0.203 0.000 0.782 353 L CB -0.041 41.749 42.059 -0.449 0.000 0.914 353 L HN 0.468 nan 8.230 nan 0.000 0.441 354 L N -1.153 119.984 121.223 -0.142 0.000 2.592 354 L HA 0.070 4.444 4.340 0.055 0.000 0.227 354 L C 0.409 177.252 176.870 -0.044 0.000 1.127 354 L CA -0.160 54.663 54.840 -0.029 0.000 0.884 354 L CB -0.176 41.963 42.059 0.132 0.000 1.065 354 L HN 0.078 nan 8.230 nan 0.000 0.457 355 D N 2.042 122.183 120.400 -0.431 0.000 2.339 355 D HA 0.118 4.791 4.640 0.055 0.000 0.241 355 D C -1.687 174.395 176.300 -0.363 0.000 1.183 355 D CA -2.163 51.301 54.000 -0.894 0.000 0.859 355 D CB 1.545 41.576 40.800 -1.281 0.000 1.067 355 D HN -0.040 nan 8.370 nan 0.000 0.484 356 P HA 0.021 nan 4.420 nan 0.000 0.253 356 P C 0.716 177.927 177.300 -0.147 0.000 1.260 356 P CA 0.318 63.353 63.100 -0.108 0.000 0.800 356 P CB -0.013 31.707 31.700 0.034 0.000 1.162 357 T N -4.238 110.215 114.554 -0.168 0.000 3.086 357 T HA 0.180 4.563 4.350 0.055 0.000 0.250 357 T C 0.692 175.311 174.700 -0.135 0.000 1.074 357 T CA -0.138 61.878 62.100 -0.140 0.000 0.988 357 T CB -0.128 68.698 68.868 -0.070 0.000 0.988 357 T HN -0.162 nan 8.240 nan 0.000 0.530 358 K N 2.142 122.368 120.400 -0.290 0.000 2.221 358 K HA 0.581 4.934 4.320 0.055 0.000 0.258 358 K C -0.373 176.045 176.600 -0.304 0.000 0.944 358 K CA -0.836 55.149 56.287 -0.504 0.000 0.823 358 K CB 2.230 34.316 32.500 -0.690 0.000 1.113 358 K HN 0.316 nan 8.250 nan 0.000 0.431 359 L N -0.335 120.843 121.223 -0.076 0.000 2.358 359 L HA 0.651 5.024 4.340 0.055 0.000 0.268 359 L C -0.064 176.625 176.870 -0.301 0.000 1.032 359 L CA -0.522 54.235 54.840 -0.139 0.000 0.805 359 L CB 0.406 42.459 42.059 -0.010 0.000 1.253 359 L HN 0.443 nan 8.230 nan 0.000 0.452 360 I N 1.801 122.284 120.570 -0.146 0.000 2.291 360 I HA 0.361 4.564 4.170 0.055 0.000 0.290 360 I C -2.086 174.035 176.117 0.007 0.000 1.050 360 I CA -1.638 59.621 61.300 -0.070 0.000 1.245 360 I CB 0.969 38.953 38.000 -0.027 0.000 1.405 360 I HN 0.459 nan 8.210 nan 0.000 0.478 361 P HA 0.061 nan 4.420 nan 0.000 0.268 361 P C 0.299 177.650 177.300 0.084 0.000 1.204 361 P CA -0.057 63.075 63.100 0.053 0.000 0.768 361 P CB 0.643 32.364 31.700 0.035 0.000 0.842 362 E N 1.608 121.868 120.200 0.100 0.000 2.204 362 E HA -0.189 4.194 4.350 0.055 0.000 0.194 362 E C 1.345 177.990 176.600 0.074 0.000 0.989 362 E CA 0.793 57.240 56.400 0.079 0.000 0.824 362 E CB -0.023 29.724 29.700 0.079 0.000 0.756 362 E HN 0.510 nan 8.360 nan 0.000 0.477 363 E N 0.461 120.707 120.200 0.077 0.000 2.204 363 E HA -0.133 4.251 4.350 0.055 0.000 0.195 363 E C 2.046 178.704 176.600 0.096 0.000 0.990 363 E CA 0.730 57.175 56.400 0.074 0.000 0.821 363 E CB 0.081 29.820 29.700 0.064 0.000 0.750 363 E HN 0.365 nan 8.360 nan 0.000 0.477 364 L N -0.481 120.816 121.223 0.123 0.000 2.221 364 L HA 0.055 4.428 4.340 0.055 0.000 0.202 364 L C 0.611 177.588 176.870 0.178 0.000 1.074 364 L CA 0.412 55.363 54.840 0.184 0.000 0.795 364 L CB 0.442 42.664 42.059 0.272 0.000 0.960 364 L HN -0.209 nan 8.230 nan 0.000 0.458 365 V N 1.557 121.544 119.914 0.122 0.000 2.462 365 V HA 0.316 4.469 4.120 0.055 0.000 0.288 365 V C -2.341 173.790 176.094 0.063 0.000 1.020 365 V CA -1.412 60.950 62.300 0.102 0.000 0.857 365 V CB 1.590 33.460 31.823 0.078 0.000 1.013 365 V HN -0.032 nan 8.190 nan 0.000 0.431 366 P HA 0.214 nan 4.420 nan 0.000 0.274 366 P C -0.369 176.926 177.300 -0.008 0.000 1.237 366 P CA -0.098 63.017 63.100 0.025 0.000 0.793 366 P CB 1.477 33.197 31.700 0.034 0.000 0.977 367 V N 2.653 122.529 119.914 -0.062 0.000 2.432 367 V HA 0.094 4.247 4.120 0.055 0.000 0.271 367 V C 0.913 176.988 176.094 -0.031 0.000 1.046 367 V CA 0.013 62.243 62.300 -0.117 0.000 0.945 367 V CB 0.243 31.912 31.823 -0.257 0.000 0.992 367 V HN 0.553 nan 8.190 nan 0.000 0.471 368 Q N 5.605 125.405 119.800 0.000 0.000 2.288 368 Q HA 0.304 4.677 4.340 0.055 0.000 0.258 368 Q C -0.174 175.798 176.000 -0.047 0.000 0.957 368 Q CA -0.558 55.246 55.803 0.002 0.000 0.919 368 Q CB 0.614 29.367 28.738 0.024 0.000 1.185 368 Q HN 0.640 nan 8.270 nan 0.000 0.408 369 R N 2.942 123.448 120.500 0.010 0.000 2.316 369 R HA 0.139 4.512 4.340 0.055 0.000 0.314 369 R C 0.188 176.496 176.300 0.013 0.000 1.069 369 R CA -0.296 55.836 56.100 0.053 0.000 0.959 369 R CB 1.007 31.440 30.300 0.221 0.000 0.987 369 R HN 0.495 nan 8.270 nan 0.000 0.446 370 V N 1.519 121.291 119.914 -0.237 0.000 3.484 370 V HA 0.308 4.461 4.120 0.055 0.000 0.252 370 V C 0.694 176.466 176.094 -0.537 0.000 1.282 370 V CA 1.022 63.097 62.300 -0.376 0.000 1.104 370 V CB 1.126 32.474 31.823 -0.791 0.000 0.868 370 V HN 1.025 nan 8.190 nan 0.000 0.457 371 G N -0.308 108.002 108.800 -0.816 0.000 2.430 371 G HA2 0.474 4.467 3.960 0.055 0.000 0.300 371 G HA3 0.474 4.467 3.960 0.055 0.000 0.300 371 G C -1.804 172.748 174.900 -0.580 0.000 1.330 371 G CA -0.557 43.909 45.100 -1.057 0.000 0.813 371 G HN 0.010 nan 8.290 nan 0.000 0.487 372 K N -0.297 119.882 120.400 -0.369 0.000 2.427 372 K HA 0.689 5.042 4.320 0.055 0.000 0.252 372 K C -0.804 175.877 176.600 0.135 0.000 0.931 372 K CA -0.776 55.559 56.287 0.080 0.000 0.793 372 K CB 2.079 34.667 32.500 0.147 0.000 1.211 372 K HN 0.629 nan 8.250 nan 0.000 0.426 373 M N 4.620 124.423 119.600 0.338 0.000 2.336 373 M HA 0.451 4.965 4.480 0.055 0.000 0.342 373 M C -1.676 174.609 176.300 -0.025 0.000 1.128 373 M CA -0.714 54.698 55.300 0.186 0.000 1.016 373 M CB 1.621 34.328 32.600 0.178 0.000 1.665 373 M HN 0.358 nan 8.290 nan 0.000 0.445 374 V N 6.134 125.868 119.914 -0.300 0.000 2.638 374 V HA 0.439 4.593 4.120 0.055 0.000 0.306 374 V C -0.670 175.278 176.094 -0.242 0.000 1.052 374 V CA -0.720 61.416 62.300 -0.273 0.000 0.885 374 V CB 1.905 33.433 31.823 -0.491 0.000 0.999 374 V HN 0.816 nan 8.190 nan 0.000 0.424 375 L N 5.344 126.511 121.223 -0.093 0.000 2.264 375 L HA 0.487 4.861 4.340 0.055 0.000 0.287 375 L C 0.415 177.175 176.870 -0.182 0.000 1.039 375 L CA -0.331 54.458 54.840 -0.085 0.000 0.829 375 L CB 1.043 43.108 42.059 0.010 0.000 1.211 375 L HN 0.880 nan 8.230 nan 0.000 0.427 376 N N 2.357 120.854 118.700 -0.339 0.000 2.170 376 N HA 0.120 4.893 4.740 0.055 0.000 0.222 376 N C 0.041 175.349 175.510 -0.338 0.000 1.218 376 N CA -0.350 52.237 53.050 -0.772 0.000 0.889 376 N CB 0.763 38.509 38.487 -1.234 0.000 1.083 376 N HN 0.446 nan 8.380 nan 0.000 0.520 377 R N 0.357 120.775 120.500 -0.137 0.000 2.515 377 R HA 0.284 4.657 4.340 0.055 0.000 0.278 377 R C -1.252 174.998 176.300 -0.082 0.000 1.107 377 R CA -0.545 55.499 56.100 -0.092 0.000 0.945 377 R CB 1.163 31.420 30.300 -0.073 0.000 1.219 377 R HN 0.065 nan 8.270 nan 0.000 0.434 378 N N 3.362 121.888 118.700 -0.291 0.000 2.399 378 N HA 0.257 5.030 4.740 0.055 0.000 0.250 378 N C -2.268 173.159 175.510 -0.138 0.000 1.272 378 N CA -1.111 51.621 53.050 -0.530 0.000 0.928 378 N CB 0.459 37.929 38.487 -1.694 0.000 1.158 378 N HN 0.326 nan 8.380 nan 0.000 0.463 379 P HA 0.117 nan 4.420 nan 0.000 0.274 379 P C 0.128 177.607 177.300 0.298 0.000 1.260 379 P CA -0.101 63.180 63.100 0.301 0.000 0.793 379 P CB 0.978 32.905 31.700 0.379 0.000 1.048 380 D N -1.129 119.421 120.400 0.250 0.000 2.201 380 D HA -0.017 4.656 4.640 0.055 0.000 0.209 380 D C 0.410 176.884 176.300 0.290 0.000 0.961 380 D CA 1.335 55.481 54.000 0.244 0.000 0.861 380 D CB 0.202 41.086 40.800 0.140 0.000 0.997 380 D HN 0.375 nan 8.370 nan 0.000 0.486 381 N N -0.124 118.738 118.700 0.269 0.000 2.461 381 N HA 0.010 4.783 4.740 0.055 0.000 0.284 381 N C 0.041 175.752 175.510 0.335 0.000 1.049 381 N CA -0.329 52.892 53.050 0.286 0.000 0.889 381 N CB 1.486 40.107 38.487 0.222 0.000 1.365 381 N HN -0.165 nan 8.380 nan 0.000 0.499 382 F N 4.364 124.466 119.950 0.254 0.000 2.095 382 F HA -0.172 4.388 4.527 0.055 0.000 0.298 382 F C 1.681 177.614 175.800 0.223 0.000 1.104 382 F CA 1.544 59.697 58.000 0.255 0.000 1.232 382 F CB -0.129 38.995 39.000 0.206 0.000 0.987 382 F HN 0.602 nan 8.300 nan 0.000 0.475 383 F N 0.789 120.973 119.950 0.390 0.000 2.102 383 F HA -0.132 4.430 4.527 0.057 0.000 0.298 383 F C 2.292 178.148 175.800 0.094 0.000 1.105 383 F CA 1.791 59.938 58.000 0.246 0.000 1.239 383 F CB -0.912 38.211 39.000 0.206 0.000 0.991 383 F HN -0.008 nan 8.300 nan 0.000 0.474 384 A N -0.362 122.599 122.820 0.235 0.000 1.930 384 A HA -0.134 4.219 4.320 0.055 0.000 0.217 384 A C 2.085 179.605 177.584 -0.106 0.000 1.175 384 A CA 1.898 53.977 52.037 0.070 0.000 0.627 384 A CB -0.641 18.451 19.000 0.154 0.000 0.815 384 A HN 0.584 nan 8.150 nan 0.000 0.443 385 E N -1.201 118.948 120.200 -0.085 0.000 2.132 385 E HA -0.067 4.316 4.350 0.055 0.000 0.193 385 E C 1.954 178.463 176.600 -0.152 0.000 0.951 385 E CA 0.496 56.778 56.400 -0.197 0.000 0.843 385 E CB -0.118 29.507 29.700 -0.125 0.000 0.807 385 E HN 0.565 nan 8.360 nan 0.000 0.467 386 N N 1.271 119.875 118.700 -0.160 0.000 2.182 386 N HA -0.158 4.616 4.740 0.055 0.000 0.186 386 N C 1.826 177.167 175.510 -0.281 0.000 1.036 386 N CA 1.310 54.216 53.050 -0.239 0.000 0.850 386 N CB 0.106 38.060 38.487 -0.888 0.000 1.010 386 N HN -0.060 nan 8.380 nan 0.000 0.432 387 E N 0.873 120.833 120.200 -0.399 0.000 2.110 387 E HA -0.084 4.299 4.350 0.055 0.000 0.193 387 E C 1.686 178.097 176.600 -0.315 0.000 0.988 387 E CA 1.424 57.665 56.400 -0.266 0.000 0.804 387 E CB -0.163 29.393 29.700 -0.240 0.000 0.745 387 E HN 0.478 nan 8.360 nan 0.000 0.458 388 Q N -0.268 119.272 119.800 -0.434 0.000 2.451 388 Q HA 0.220 4.593 4.340 0.055 0.000 0.206 388 Q C 0.025 175.908 176.000 -0.195 0.000 0.947 388 Q CA 0.240 55.844 55.803 -0.331 0.000 0.937 388 Q CB 0.372 28.893 28.738 -0.361 0.000 1.025 388 Q HN 0.218 nan 8.270 nan 0.000 0.511 389 A N 1.083 123.814 122.820 -0.149 0.000 2.462 389 A HA 0.474 4.828 4.320 0.055 0.000 0.243 389 A C -0.180 177.288 177.584 -0.194 0.000 1.076 389 A CA 0.117 52.045 52.037 -0.183 0.000 0.773 389 A CB 0.295 19.278 19.000 -0.029 0.000 1.010 389 A HN 0.264 nan 8.150 nan 0.000 0.493 390 A N 2.291 124.936 122.820 -0.291 0.000 2.311 390 A HA 0.699 5.052 4.320 0.055 0.000 0.306 390 A C -0.773 176.659 177.584 -0.254 0.000 1.189 390 A CA -0.419 51.514 52.037 -0.173 0.000 0.791 390 A CB 0.250 19.160 19.000 -0.149 0.000 1.172 390 A HN 0.635 nan 8.150 nan 0.000 0.481 391 F N 0.934 120.882 119.950 -0.003 0.000 2.458 391 F HA 0.651 5.206 4.527 0.046 0.000 0.330 391 F C 0.372 176.135 175.800 -0.061 0.000 1.082 391 F CA -0.085 57.885 58.000 -0.049 0.000 0.995 391 F CB 1.907 40.828 39.000 -0.132 0.000 1.170 391 F HN 0.743 nan 8.300 nan 0.000 0.478 392 H N 3.072 121.979 119.070 -0.271 0.000 3.042 392 H HA 0.274 4.853 4.556 0.038 0.000 0.345 392 H C -2.416 172.544 175.328 -0.613 0.000 1.052 392 H CA -1.783 53.893 56.048 -0.620 0.000 1.311 392 H CB 2.654 31.972 29.762 -0.740 0.000 1.810 392 H HN 0.184 nan 8.280 nan 0.000 0.505 393 P HA -0.023 nan 4.420 nan 0.000 0.230 393 P C 1.111 178.307 177.300 -0.174 0.000 1.158 393 P CA 1.321 64.114 63.100 -0.511 0.000 0.769 393 P CB 0.119 31.559 31.700 -0.433 0.000 0.807 394 G N -1.091 107.445 108.800 -0.440 0.000 2.650 394 G HA2 -0.140 3.853 3.960 0.055 0.000 0.214 394 G HA3 -0.140 3.853 3.960 0.055 0.000 0.214 394 G C 0.474 175.616 174.900 0.403 0.000 1.136 394 G CA -0.061 45.145 45.100 0.177 0.000 0.789 394 G HN 0.434 nan 8.290 nan 0.000 0.536 395 H N 0.886 120.085 119.070 0.214 0.000 3.216 395 H HA 0.303 4.896 4.556 0.063 0.000 0.263 395 H C 0.584 176.029 175.328 0.195 0.000 1.601 395 H CA -0.712 55.431 56.048 0.157 0.000 1.509 395 H CB -0.203 29.617 29.762 0.097 0.000 1.759 395 H HN 0.383 nan 8.280 nan 0.000 0.533 396 I N -0.522 120.178 120.570 0.217 0.000 3.217 396 I HA 0.674 4.878 4.170 0.055 0.000 0.308 396 I C -0.088 176.014 176.117 -0.025 0.000 1.091 396 I CA -1.430 59.915 61.300 0.075 0.000 1.013 396 I CB 1.863 39.801 38.000 -0.102 0.000 1.250 396 I HN 0.090 nan 8.210 nan 0.000 0.496 397 V N -2.185 117.690 119.914 -0.065 0.000 3.074 397 V HA 0.681 4.834 4.120 0.055 0.000 0.314 397 V C -2.831 173.358 176.094 0.158 0.000 1.117 397 V CA -2.547 59.781 62.300 0.046 0.000 1.014 397 V CB 0.984 32.819 31.823 0.020 0.000 1.057 397 V HN 0.628 nan 8.190 nan 0.000 0.438 398 P HA 0.386 nan 4.420 nan 0.000 0.265 398 P C 0.904 178.192 177.300 -0.020 0.000 1.193 398 P CA 1.866 65.031 63.100 0.108 0.000 0.765 398 P CB 0.775 32.517 31.700 0.072 0.000 0.823 399 G N 1.438 110.177 108.800 -0.101 0.000 2.218 399 G HA2 -0.166 3.828 3.960 0.055 0.000 0.216 399 G HA3 -0.166 3.828 3.960 0.055 0.000 0.216 399 G C -0.252 174.550 174.900 -0.164 0.000 0.994 399 G CA -0.371 44.651 45.100 -0.129 0.000 0.637 399 G HN 0.451 nan 8.290 nan 0.000 0.505 400 L N -0.073 121.065 121.223 -0.141 0.000 2.309 400 L HA 0.926 5.299 4.340 0.055 0.000 0.261 400 L C -0.455 176.351 176.870 -0.108 0.000 1.021 400 L CA -1.061 53.677 54.840 -0.169 0.000 0.823 400 L CB 2.136 44.024 42.059 -0.284 0.000 1.366 400 L HN 0.107 nan 8.230 nan 0.000 0.423 401 D N -0.816 119.507 120.400 -0.128 0.000 2.692 401 D HA 0.454 5.127 4.640 0.055 0.000 0.303 401 D C -1.346 174.861 176.300 -0.156 0.000 1.278 401 D CA -0.358 53.519 54.000 -0.205 0.000 0.852 401 D CB 1.842 42.594 40.800 -0.080 0.000 1.375 401 D HN 0.124 nan 8.370 nan 0.000 0.453 402 F N -0.209 119.859 119.950 0.197 0.000 2.364 402 F HA 0.512 5.081 4.527 0.070 0.000 0.316 402 F C 1.466 177.276 175.800 0.017 0.000 1.133 402 F CA -0.295 57.737 58.000 0.052 0.000 1.051 402 F CB 1.336 40.349 39.000 0.021 0.000 1.342 402 F HN 0.205 nan 8.300 nan 0.000 0.507 403 T N -3.160 111.483 114.554 0.148 0.000 2.773 403 T HA 0.300 4.684 4.350 0.055 0.000 0.278 403 T C 0.016 174.755 174.700 0.065 0.000 1.011 403 T CA -0.966 61.215 62.100 0.133 0.000 1.014 403 T CB 1.089 70.017 68.868 0.099 0.000 1.293 403 T HN 0.348 nan 8.240 nan 0.000 0.554 404 N N 1.265 120.008 118.700 0.072 0.000 2.434 404 N HA 0.054 4.827 4.740 0.055 0.000 0.196 404 N C 0.014 175.534 175.510 0.017 0.000 1.183 404 N CA 0.080 53.153 53.050 0.038 0.000 0.849 404 N CB -0.448 38.078 38.487 0.065 0.000 0.992 404 N HN 0.673 nan 8.380 nan 0.000 0.460 405 D N 2.206 122.600 120.400 -0.010 0.000 2.570 405 D HA -0.066 4.607 4.640 0.055 0.000 0.243 405 D C -1.408 174.889 176.300 -0.005 0.000 1.171 405 D CA -0.961 53.056 54.000 0.028 0.000 0.879 405 D CB 1.276 42.047 40.800 -0.049 0.000 1.143 405 D HN 0.150 nan 8.370 nan 0.000 0.511 406 P HA -0.092 nan 4.420 nan 0.000 0.233 406 P C 1.521 178.838 177.300 0.028 0.000 1.167 406 P CA 0.105 63.221 63.100 0.026 0.000 0.770 406 P CB 0.456 32.168 31.700 0.020 0.000 0.837 407 L N -0.340 120.921 121.223 0.064 0.000 2.068 407 L HA -0.006 4.367 4.340 0.055 0.000 0.204 407 L C 2.344 179.131 176.870 -0.139 0.000 1.076 407 L CA 1.232 56.100 54.840 0.048 0.000 0.753 407 L CB -1.523 40.651 42.059 0.191 0.000 0.910 407 L HN -0.174 nan 8.230 nan 0.000 0.439 408 L N -0.414 120.559 121.223 -0.417 0.000 2.012 408 L HA -0.245 4.128 4.340 0.055 0.000 0.210 408 L C 2.484 179.103 176.870 -0.419 0.000 1.073 408 L CA 1.832 56.221 54.840 -0.752 0.000 0.748 408 L CB -0.981 40.464 42.059 -1.024 0.000 0.891 408 L HN 0.397 nan 8.230 nan 0.000 0.431 409 Q N -0.382 119.244 119.800 -0.290 0.000 2.112 409 Q HA -0.166 4.207 4.340 0.055 0.000 0.206 409 Q C 2.079 177.994 176.000 -0.141 0.000 0.987 409 Q CA 1.804 57.476 55.803 -0.218 0.000 0.858 409 Q CB -0.738 27.924 28.738 -0.127 0.000 0.905 409 Q HN 0.703 nan 8.270 nan 0.000 0.420 410 G N 0.445 109.193 108.800 -0.087 0.000 2.430 410 G HA2 -0.196 3.797 3.960 0.055 0.000 0.216 410 G HA3 -0.196 3.797 3.960 0.055 0.000 0.216 410 G C 1.492 176.404 174.900 0.020 0.000 1.146 410 G CA 0.143 45.238 45.100 -0.008 0.000 0.793 410 G HN 0.241 nan 8.290 nan 0.000 0.537 411 R N -0.066 120.393 120.500 -0.068 0.000 2.133 411 R HA -0.058 4.315 4.340 0.055 0.000 0.247 411 R C 2.488 178.861 176.300 0.121 0.000 1.151 411 R CA 1.155 57.270 56.100 0.026 0.000 0.971 411 R CB -0.517 29.752 30.300 -0.052 0.000 0.866 411 R HN 0.342 nan 8.270 nan 0.000 0.447 412 L N -0.557 120.638 121.223 -0.047 0.000 2.131 412 L HA -0.197 4.177 4.340 0.055 0.000 0.210 412 L C 2.293 179.299 176.870 0.227 0.000 1.092 412 L CA 1.070 55.900 54.840 -0.017 0.000 0.759 412 L CB -0.435 41.461 42.059 -0.272 0.000 0.903 412 L HN 0.166 nan 8.230 nan 0.000 0.435 413 F N 0.184 120.164 119.950 0.051 0.000 2.163 413 F HA -0.206 4.300 4.527 -0.036 0.000 0.297 413 F C 2.819 178.661 175.800 0.069 0.000 1.094 413 F CA 1.624 59.652 58.000 0.046 0.000 1.290 413 F CB -0.231 38.774 39.000 0.008 0.000 1.017 413 F HN -0.037 nan 8.300 nan 0.000 0.483 414 S N -0.712 115.013 115.700 0.040 0.000 2.355 414 S HA -0.226 4.277 4.470 0.055 0.000 0.222 414 S C 2.029 176.510 174.600 -0.199 0.000 1.031 414 S CA 1.446 59.556 58.200 -0.151 0.000 0.993 414 S CB -0.853 62.278 63.200 -0.115 0.000 0.859 414 S HN 0.536 nan 8.310 nan 0.000 0.453 415 Y N 1.394 121.710 120.300 0.028 0.000 2.509 415 Y HA 0.014 4.626 4.550 0.104 0.000 0.293 415 Y C 2.796 178.341 175.900 -0.591 0.000 1.133 415 Y CA 1.091 59.207 58.100 0.027 0.000 1.283 415 Y CB -0.383 39.049 38.460 1.619 0.000 1.001 415 Y HN 0.289 nan 8.280 nan 0.000 0.555 416 T N -0.789 113.354 114.554 -0.685 0.000 2.852 416 T HA -0.152 4.231 4.350 0.055 0.000 0.256 416 T C 1.432 175.910 174.700 -0.370 0.000 1.038 416 T CA 1.469 63.269 62.100 -0.500 0.000 1.141 416 T CB -0.328 68.310 68.868 -0.383 0.000 0.869 416 T HN 0.326 nan 8.240 nan 0.000 0.439 417 D N 0.872 120.997 120.400 -0.459 0.000 2.092 417 D HA -0.130 4.544 4.640 0.055 0.000 0.193 417 D C 2.256 178.391 176.300 -0.275 0.000 0.994 417 D CA 1.653 55.404 54.000 -0.415 0.000 0.828 417 D CB -0.553 39.804 40.800 -0.737 0.000 0.963 417 D HN 0.221 nan 8.370 nan 0.000 0.450 418 T N -0.957 113.429 114.554 -0.280 0.000 2.822 418 T HA -0.169 4.215 4.350 0.055 0.000 0.270 418 T C 1.653 176.227 174.700 -0.211 0.000 1.064 418 T CA 1.382 63.360 62.100 -0.203 0.000 1.131 418 T CB -0.228 68.518 68.868 -0.203 0.000 0.858 418 T HN 0.171 nan 8.240 nan 0.000 0.483 419 Q N 0.513 120.115 119.800 -0.331 0.000 2.224 419 Q HA 0.013 4.386 4.340 0.055 0.000 0.203 419 Q C 2.318 178.201 176.000 -0.195 0.000 0.970 419 Q CA 0.685 56.237 55.803 -0.418 0.000 0.865 419 Q CB -0.442 27.649 28.738 -1.079 0.000 0.922 419 Q HN 0.514 nan 8.270 nan 0.000 0.445 420 I N 1.204 121.710 120.570 -0.107 0.000 2.264 420 I HA -0.237 3.966 4.170 0.055 0.000 0.248 420 I C 2.308 178.431 176.117 0.011 0.000 1.111 420 I CA 1.836 63.138 61.300 0.003 0.000 1.382 420 I CB -1.452 36.553 38.000 0.009 0.000 1.060 420 I HN 0.194 nan 8.210 nan 0.000 0.418 421 S N 0.263 115.953 115.700 -0.017 0.000 2.404 421 S HA -0.063 4.440 4.470 0.055 0.000 0.223 421 S C 2.154 176.753 174.600 -0.001 0.000 1.040 421 S CA 0.170 58.373 58.200 0.005 0.000 0.957 421 S CB -0.365 62.838 63.200 0.005 0.000 0.826 421 S HN 0.308 nan 8.310 nan 0.000 0.491 422 R N 1.007 121.484 120.500 -0.039 0.000 2.073 422 R HA 0.138 4.512 4.340 0.055 0.000 0.234 422 R C 1.405 177.687 176.300 -0.030 0.000 1.134 422 R CA 1.487 57.564 56.100 -0.039 0.000 0.952 422 R CB -0.254 29.998 30.300 -0.080 0.000 0.850 422 R HN 0.447 nan 8.270 nan 0.000 0.433 423 L N -0.996 120.199 121.223 -0.047 0.000 2.857 423 L HA 0.336 4.709 4.340 0.055 0.000 0.249 423 L C 0.877 177.769 176.870 0.035 0.000 1.172 423 L CA 0.302 55.129 54.840 -0.021 0.000 0.980 423 L CB 1.145 43.184 42.059 -0.034 0.000 1.299 423 L HN 0.588 nan 8.230 nan 0.000 0.535 424 G N 0.007 108.849 108.800 0.070 0.000 2.176 424 G HA2 -0.133 3.860 3.960 0.055 0.000 0.253 424 G HA3 -0.133 3.860 3.960 0.055 0.000 0.253 424 G C 0.450 175.477 174.900 0.211 0.000 0.979 424 G CA -0.017 45.175 45.100 0.152 0.000 0.641 424 G HN 0.780 nan 8.290 nan 0.000 0.530 425 G N -1.579 107.336 108.800 0.192 0.000 2.343 425 G HA2 0.602 4.595 3.960 0.055 0.000 0.289 425 G HA3 0.602 4.595 3.960 0.055 0.000 0.289 425 G C -2.299 172.761 174.900 0.267 0.000 1.295 425 G CA 0.404 45.621 45.100 0.195 0.000 0.869 425 G HN 0.446 nan 8.290 nan 0.000 0.522 426 P HA 0.132 nan 4.420 nan 0.000 0.255 426 P C 0.257 177.586 177.300 0.047 0.000 1.248 426 P CA 0.280 63.492 63.100 0.187 0.000 0.807 426 P CB 0.251 32.013 31.700 0.102 0.000 1.150 427 N N 0.551 119.289 118.700 0.063 0.000 2.346 427 N HA 0.057 4.830 4.740 0.055 0.000 0.225 427 N C 1.041 176.432 175.510 -0.199 0.000 1.144 427 N CA -0.153 52.837 53.050 -0.100 0.000 0.837 427 N CB -0.651 37.802 38.487 -0.056 0.000 1.069 427 N HN 0.277 nan 8.380 nan 0.000 0.487 428 F N 0.658 120.608 119.950 -0.000 0.000 2.333 428 F HA -0.081 4.491 4.527 0.074 0.000 0.300 428 F C 2.212 177.958 175.800 -0.090 0.000 1.083 428 F CA 0.733 58.698 58.000 -0.058 0.000 1.395 428 F CB -0.761 38.218 39.000 -0.035 0.000 1.056 428 F HN 0.179 nan 8.300 nan 0.000 0.529 429 H N 0.527 119.219 119.070 -0.631 0.000 2.561 429 H HA 0.050 4.638 4.556 0.053 0.000 0.278 429 H C 0.786 175.959 175.328 -0.258 0.000 1.014 429 H CA 1.315 57.100 56.048 -0.438 0.000 1.211 429 H CB -0.749 28.621 29.762 -0.653 0.000 1.365 429 H HN 0.543 nan 8.280 nan 0.000 0.594 430 E N 0.917 120.707 120.200 -0.684 0.000 2.474 430 E HA 0.182 4.565 4.350 0.055 0.000 0.194 430 E C 0.336 176.821 176.600 -0.191 0.000 1.041 430 E CA -0.282 55.870 56.400 -0.413 0.000 0.874 430 E CB 0.560 30.020 29.700 -0.401 0.000 0.914 430 E HN 0.423 nan 8.360 nan 0.000 0.498 431 I N 2.784 123.264 120.570 -0.149 0.000 2.598 431 I HA -0.045 4.158 4.170 0.055 0.000 0.284 431 I C -1.581 174.480 176.117 -0.094 0.000 1.140 431 I CA -1.383 59.860 61.300 -0.094 0.000 1.420 431 I CB 0.649 38.606 38.000 -0.071 0.000 1.387 431 I HN -0.207 nan 8.210 nan 0.000 0.553 432 P HA -0.235 nan 4.420 nan 0.000 0.216 432 P C 1.734 178.967 177.300 -0.112 0.000 1.157 432 P CA 1.240 64.285 63.100 -0.091 0.000 0.880 432 P CB 0.173 31.824 31.700 -0.082 0.000 0.791 433 I N -0.872 119.606 120.570 -0.154 0.000 2.567 433 I HA -0.175 4.028 4.170 0.055 0.000 0.257 433 I C 1.281 177.340 176.117 -0.098 0.000 1.184 433 I CA 1.675 62.841 61.300 -0.224 0.000 1.451 433 I CB -0.570 37.183 38.000 -0.411 0.000 1.089 433 I HN -0.106 nan 8.210 nan 0.000 0.441 434 N N 0.592 119.247 118.700 -0.075 0.000 2.422 434 N HA 0.055 4.828 4.740 0.055 0.000 0.181 434 N C 0.311 175.838 175.510 0.030 0.000 1.080 434 N CA 0.178 53.210 53.050 -0.030 0.000 0.893 434 N CB -0.047 38.434 38.487 -0.009 0.000 0.973 434 N HN 0.363 nan 8.380 nan 0.000 0.456 435 R N 1.638 122.151 120.500 0.022 0.000 2.570 435 R HA 0.134 4.507 4.340 0.055 0.000 0.277 435 R C -2.183 174.187 176.300 0.118 0.000 1.039 435 R CA -1.084 55.031 56.100 0.025 0.000 1.065 435 R CB -0.042 30.256 30.300 -0.002 0.000 0.964 435 R HN 0.047 nan 8.270 nan 0.000 0.428 436 P HA 0.008 nan 4.420 nan 0.000 0.272 436 P C 0.505 177.890 177.300 0.141 0.000 1.223 436 P CA -0.108 63.080 63.100 0.147 0.000 0.784 436 P CB 0.729 32.469 31.700 0.066 0.000 0.923 437 T N -1.999 112.655 114.554 0.166 0.000 3.054 437 T HA 0.227 4.610 4.350 0.055 0.000 0.259 437 T C 0.980 175.735 174.700 0.091 0.000 1.092 437 T CA 0.117 62.267 62.100 0.083 0.000 1.121 437 T CB -0.408 68.494 68.868 0.056 0.000 0.912 437 T HN 0.479 nan 8.240 nan 0.000 0.489 438 A N 3.212 126.101 122.820 0.115 0.000 2.466 438 A HA 0.525 4.878 4.320 0.055 0.000 0.238 438 A C -2.132 175.517 177.584 0.109 0.000 1.074 438 A CA -1.265 50.835 52.037 0.106 0.000 0.774 438 A CB -0.420 18.644 19.000 0.107 0.000 1.015 438 A HN 0.291 nan 8.150 nan 0.000 0.498 439 P HA 0.300 nan 4.420 nan 0.000 0.269 439 P C -1.047 176.331 177.300 0.131 0.000 1.209 439 P CA 0.594 63.764 63.100 0.118 0.000 0.776 439 P CB 0.140 31.953 31.700 0.188 0.000 0.876 440 Y N 0.525 120.717 120.300 -0.179 0.000 2.421 440 Y HA 0.687 5.273 4.550 0.060 0.000 0.339 440 Y C -1.430 174.148 175.900 -0.536 0.000 0.996 440 Y CA -0.977 57.001 58.100 -0.204 0.000 1.046 440 Y CB 1.572 39.935 38.460 -0.161 0.000 1.226 440 Y HN 0.421 nan 8.280 nan 0.000 0.445 441 H N 3.580 122.554 119.070 -0.160 0.000 3.026 441 H HA 0.517 5.106 4.556 0.056 0.000 0.352 441 H C -1.218 173.997 175.328 -0.188 0.000 1.090 441 H CA -0.776 55.093 56.048 -0.298 0.000 1.268 441 H CB 1.643 31.266 29.762 -0.232 0.000 1.816 441 H HN 0.903 nan 8.280 nan 0.000 0.518 442 N N 0.385 118.979 118.700 -0.176 0.000 3.449 442 N HA 0.194 4.967 4.740 0.055 0.000 0.312 442 N C -1.214 174.055 175.510 -0.402 0.000 1.557 442 N CA -0.914 51.982 53.050 -0.257 0.000 0.864 442 N CB 0.722 39.216 38.487 0.013 0.000 1.799 442 N HN 0.289 nan 8.380 nan 0.000 0.554 443 F N -0.376 119.616 119.950 0.069 0.000 2.647 443 F HA 0.385 4.944 4.527 0.054 0.000 0.300 443 F C 0.410 176.251 175.800 0.068 0.000 1.106 443 F CA -0.358 57.675 58.000 0.056 0.000 1.313 443 F CB 0.254 39.279 39.000 0.042 0.000 1.007 443 F HN 0.134 nan 8.300 nan 0.000 0.536 444 Q N 1.515 121.420 119.800 0.175 0.000 2.293 444 Q HA 0.471 4.844 4.340 0.055 0.000 0.251 444 Q C 0.017 176.091 176.000 0.125 0.000 0.930 444 Q CA -0.188 55.698 55.803 0.138 0.000 0.893 444 Q CB 1.166 29.962 28.738 0.096 0.000 1.215 444 Q HN 0.100 nan 8.270 nan 0.000 0.425 445 R N 1.742 122.308 120.500 0.110 0.000 2.774 445 R HA 0.358 4.731 4.340 0.055 0.000 0.272 445 R C -0.771 175.574 176.300 0.075 0.000 1.000 445 R CA -0.623 55.533 56.100 0.094 0.000 0.906 445 R CB 1.342 31.700 30.300 0.097 0.000 1.227 445 R HN 0.733 nan 8.270 nan 0.000 0.468 446 D N -0.161 120.276 120.400 0.062 0.000 3.555 446 D HA -0.155 4.519 4.640 0.055 0.000 0.215 446 D C 0.318 176.644 176.300 0.043 0.000 1.480 446 D CA 1.871 55.897 54.000 0.044 0.000 1.126 446 D CB -1.073 39.750 40.800 0.039 0.000 0.676 446 D HN 0.911 nan 8.370 nan 0.000 0.824 447 G N -1.181 107.638 108.800 0.031 0.000 2.712 447 G HA2 0.197 4.190 3.960 0.055 0.000 0.686 447 G HA3 0.197 4.190 3.960 0.055 0.000 0.686 447 G C -0.187 174.713 174.900 0.000 0.000 1.321 447 G CA 0.102 45.220 45.100 0.029 0.000 0.813 447 G HN 0.807 nan 8.290 nan 0.000 0.599 448 M N 1.312 120.897 119.600 -0.026 0.000 2.252 448 M HA 0.426 4.940 4.480 0.055 0.000 0.329 448 M C 1.300 177.533 176.300 -0.112 0.000 1.101 448 M CA 1.433 56.633 55.300 -0.167 0.000 1.117 448 M CB -0.650 31.805 32.600 -0.241 0.000 1.563 448 M HN 1.323 nan 8.290 nan 0.000 0.445 449 H N -0.693 118.382 119.070 0.008 0.000 2.839 449 H HA -0.174 4.413 4.556 0.053 0.000 0.298 449 H C -0.518 174.800 175.328 -0.016 0.000 1.224 449 H CA 0.655 56.703 56.048 -0.000 0.000 1.144 449 H CB -1.655 28.109 29.762 0.004 0.000 1.372 449 H HN 0.555 nan 8.280 nan 0.000 0.408 450 R N 1.267 121.793 120.500 0.042 0.000 2.296 450 R HA 0.161 4.534 4.340 0.055 0.000 0.323 450 R C 0.900 177.212 176.300 0.019 0.000 1.067 450 R CA -0.162 55.954 56.100 0.027 0.000 0.946 450 R CB 0.371 30.684 30.300 0.022 0.000 0.991 450 R HN 0.262 nan 8.270 nan 0.000 0.448 451 M N 2.437 122.037 119.600 0.000 0.000 2.398 451 M HA 0.222 4.735 4.480 0.055 0.000 0.261 451 M C 0.967 177.262 176.300 -0.007 0.000 1.125 451 M CA 1.040 56.336 55.300 -0.007 0.000 1.183 451 M CB -0.855 31.727 32.600 -0.030 0.000 1.322 451 M HN 0.697 nan 8.290 nan 0.000 0.467 452 G N 1.785 110.582 108.800 -0.005 0.000 2.365 452 G HA2 0.408 4.401 3.960 0.055 0.000 0.249 452 G HA3 0.408 4.401 3.960 0.055 0.000 0.249 452 G C -0.408 174.488 174.900 -0.007 0.000 1.288 452 G CA -0.383 44.710 45.100 -0.011 0.000 0.887 452 G HN 0.322 nan 8.290 nan 0.000 0.524 453 I N 2.774 123.333 120.570 -0.017 0.000 2.337 453 I HA 0.100 4.303 4.170 0.055 0.000 0.285 453 I C -0.307 175.801 176.117 -0.015 0.000 1.041 453 I CA -0.598 60.697 61.300 -0.008 0.000 1.199 453 I CB 1.032 39.028 38.000 -0.006 0.000 1.370 453 I HN 0.358 nan 8.210 nan 0.000 0.470 454 D N 4.951 125.347 120.400 -0.007 0.000 2.383 454 D HA 0.029 4.703 4.640 0.055 0.000 0.252 454 D C 1.276 177.579 176.300 0.004 0.000 1.166 454 D CA 0.327 54.321 54.000 -0.009 0.000 0.879 454 D CB 1.659 42.462 40.800 0.003 0.000 1.164 454 D HN 0.576 nan 8.370 nan 0.000 0.462 455 T N -0.630 113.922 114.554 -0.004 0.000 3.060 455 T HA -0.071 4.312 4.350 0.055 0.000 0.249 455 T C 0.861 175.570 174.700 0.016 0.000 1.079 455 T CA -0.527 61.576 62.100 0.004 0.000 1.013 455 T CB 0.169 69.033 68.868 -0.007 0.000 0.975 455 T HN 0.115 nan 8.240 nan 0.000 0.518 456 N N 3.301 122.011 118.700 0.018 0.000 2.411 456 N HA 0.093 4.866 4.740 0.055 0.000 0.261 456 N C -1.674 173.876 175.510 0.067 0.000 1.248 456 N CA -1.570 51.505 53.050 0.040 0.000 0.885 456 N CB 1.395 39.905 38.487 0.038 0.000 1.062 456 N HN 0.049 nan 8.380 nan 0.000 0.471 457 P HA -0.050 nan 4.420 nan 0.000 0.217 457 P C -0.576 176.788 177.300 0.105 0.000 1.148 457 P CA 1.054 64.201 63.100 0.079 0.000 0.828 457 P CB 0.188 31.930 31.700 0.070 0.000 0.783 458 A N 0.508 123.380 122.820 0.086 0.000 2.305 458 A HA 0.402 4.755 4.320 0.055 0.000 0.322 458 A C 0.447 178.128 177.584 0.163 0.000 1.187 458 A CA -0.641 51.395 52.037 -0.001 0.000 0.825 458 A CB 0.006 18.831 19.000 -0.292 0.000 1.164 458 A HN 0.279 nan 8.150 nan 0.000 0.498 459 N N 0.342 119.168 118.700 0.212 0.000 2.351 459 N HA 0.368 5.141 4.740 0.055 0.000 0.254 459 N C -0.877 174.784 175.510 0.251 0.000 1.241 459 N CA -0.376 52.882 53.050 0.346 0.000 0.883 459 N CB 0.305 38.954 38.487 0.271 0.000 1.202 459 N HN 0.683 nan 8.380 nan 0.000 0.512 460 Y N -1.153 119.018 120.300 -0.214 0.000 2.609 460 Y HA 0.672 5.254 4.550 0.054 0.000 0.336 460 Y C -1.429 173.873 175.900 -0.998 0.000 1.129 460 Y CA -1.368 56.444 58.100 -0.481 0.000 1.040 460 Y CB 0.982 39.318 38.460 -0.207 0.000 1.310 460 Y HN 0.089 nan 8.280 nan 0.000 0.460 461 E N 0.731 120.429 120.200 -0.838 0.000 2.383 461 E HA 0.656 5.040 4.350 0.055 0.000 0.275 461 E C -3.136 173.349 176.600 -0.192 0.000 0.918 461 E CA -2.129 53.895 56.400 -0.627 0.000 0.764 461 E CB 1.535 30.811 29.700 -0.706 0.000 1.252 461 E HN 0.563 nan 8.360 nan 0.000 0.449 462 P HA 0.228 nan 4.420 nan 0.000 0.271 462 P C -1.254 175.992 177.300 -0.091 0.000 1.216 462 P CA -0.355 62.673 63.100 -0.121 0.000 0.776 462 P CB 0.402 32.069 31.700 -0.055 0.000 0.881 463 N N -1.255 117.323 118.700 -0.203 0.000 2.262 463 N HA 0.339 5.112 4.740 0.055 0.000 0.295 463 N C 0.391 175.860 175.510 -0.068 0.000 1.161 463 N CA -0.771 52.181 53.050 -0.163 0.000 0.767 463 N CB 1.453 39.576 38.487 -0.607 0.000 1.499 463 N HN 0.198 nan 8.380 nan 0.000 0.476 464 S N 0.552 116.259 115.700 0.013 0.000 2.483 464 S HA -0.016 4.487 4.470 0.055 0.000 0.221 464 S C 1.557 176.175 174.600 0.030 0.000 1.030 464 S CA 0.100 58.309 58.200 0.015 0.000 0.925 464 S CB -0.812 62.407 63.200 0.031 0.000 0.795 464 S HN 0.709 nan 8.310 nan 0.000 0.511 465 I N -0.771 119.826 120.570 0.044 0.000 2.830 465 I HA 0.232 4.436 4.170 0.055 0.000 0.263 465 I C 1.335 177.488 176.117 0.059 0.000 1.230 465 I CA 1.182 62.518 61.300 0.060 0.000 1.480 465 I CB -0.389 37.666 38.000 0.092 0.000 1.095 465 I HN 0.157 nan 8.210 nan 0.000 0.455 466 N N 1.160 119.892 118.700 0.054 0.000 2.291 466 N HA 0.036 4.809 4.740 0.055 0.000 0.244 466 N C -0.099 175.523 175.510 0.186 0.000 1.216 466 N CA -0.034 53.088 53.050 0.121 0.000 0.879 466 N CB -0.040 38.530 38.487 0.138 0.000 1.167 466 N HN 0.193 nan 8.380 nan 0.000 0.515 467 D N 0.747 121.204 120.400 0.096 0.000 2.751 467 D HA -0.259 4.414 4.640 0.055 0.000 0.233 467 D C -0.010 176.186 176.300 -0.174 0.000 1.149 467 D CA 1.037 55.058 54.000 0.036 0.000 0.682 467 D CB -1.308 39.594 40.800 0.171 0.000 1.068 467 D HN 0.468 nan 8.370 nan 0.000 0.429 468 N N -1.755 116.869 118.700 -0.126 0.000 2.828 468 N HA -0.249 4.524 4.740 0.055 0.000 0.248 468 N C -0.754 174.683 175.510 -0.121 0.000 1.044 468 N CA 1.403 54.348 53.050 -0.175 0.000 0.851 468 N CB -1.329 37.006 38.487 -0.254 0.000 1.136 468 N HN 0.528 nan 8.380 nan 0.000 0.572 469 W N 1.291 122.644 121.300 0.089 0.000 2.251 469 W HA 0.412 5.104 4.660 0.054 0.000 0.329 469 W C -1.593 174.968 176.519 0.071 0.000 1.234 469 W CA -1.465 55.913 57.345 0.054 0.000 1.228 469 W CB 0.417 29.859 29.460 -0.029 0.000 1.135 469 W HN -0.016 nan 8.180 nan 0.000 0.576 470 P HA 0.209 nan 4.420 nan 0.000 0.274 470 P C -0.716 176.713 177.300 0.215 0.000 1.231 470 P CA -0.166 63.072 63.100 0.229 0.000 0.790 470 P CB 1.036 32.721 31.700 -0.025 0.000 0.951 471 R N 1.061 121.665 120.500 0.173 0.000 2.664 471 R HA 0.323 4.696 4.340 0.055 0.000 0.286 471 R C 0.295 176.618 176.300 0.039 0.000 0.967 471 R CA -0.817 55.254 56.100 -0.049 0.000 0.933 471 R CB 1.334 31.368 30.300 -0.444 0.000 1.146 471 R HN 0.491 nan 8.270 nan 0.000 0.468 472 E N 0.645 120.860 120.200 0.025 0.000 2.422 472 E HA 0.039 4.422 4.350 0.055 0.000 0.260 472 E C -0.530 176.089 176.600 0.032 0.000 1.108 472 E CA 0.635 57.063 56.400 0.046 0.000 0.943 472 E CB 0.625 30.346 29.700 0.034 0.000 0.961 472 E HN 0.354 nan 8.360 nan 0.000 0.443 473 T N 3.006 117.592 114.554 0.053 0.000 2.879 473 T HA 0.339 4.722 4.350 0.055 0.000 0.290 473 T C -2.449 172.275 174.700 0.040 0.000 0.993 473 T CA -1.468 60.662 62.100 0.050 0.000 0.975 473 T CB 1.552 70.463 68.868 0.071 0.000 0.981 473 T HN 0.220 nan 8.240 nan 0.000 0.439 474 P HA 0.222 nan 4.420 nan 0.000 0.269 474 P C -2.322 174.984 177.300 0.010 0.000 1.215 474 P CA -1.092 62.015 63.100 0.012 0.000 0.780 474 P CB -0.085 31.617 31.700 0.004 0.000 0.898 475 P HA 0.249 nan 4.420 nan 0.000 0.272 475 P C -0.144 177.143 177.300 -0.022 0.000 1.230 475 P CA 0.323 63.407 63.100 -0.027 0.000 0.788 475 P CB 0.795 32.457 31.700 -0.064 0.000 0.949 476 G N 0.846 109.631 108.800 -0.024 0.000 2.488 476 G HA2 0.363 4.356 3.960 0.055 0.000 0.301 476 G HA3 0.363 4.356 3.960 0.055 0.000 0.301 476 G C -2.587 172.302 174.900 -0.020 0.000 1.339 476 G CA -0.685 44.404 45.100 -0.018 0.000 0.803 476 G HN 0.177 nan 8.290 nan 0.000 0.482 477 P HA 0.103 nan 4.420 nan 0.000 0.225 477 P C 0.208 177.503 177.300 -0.008 0.000 1.156 477 P CA 1.110 64.201 63.100 -0.016 0.000 0.787 477 P CB 0.442 32.135 31.700 -0.012 0.000 0.802 478 K N -0.951 119.452 120.400 0.004 0.000 2.572 478 K HA 0.280 4.633 4.320 0.055 0.000 0.263 478 K C -0.340 176.276 176.600 0.028 0.000 0.932 478 K CA -0.701 55.596 56.287 0.017 0.000 0.838 478 K CB 1.155 33.666 32.500 0.018 0.000 1.366 478 K HN -0.408 nan 8.250 nan 0.000 0.425 479 R N -0.049 120.475 120.500 0.041 0.000 3.758 479 R HA -0.145 4.228 4.340 0.055 0.000 0.299 479 R C -0.156 176.175 176.300 0.051 0.000 1.182 479 R CA 1.116 57.247 56.100 0.052 0.000 0.809 479 R CB -2.285 28.045 30.300 0.050 0.000 1.249 479 R HN 0.846 nan 8.270 nan 0.000 0.497 480 G N -0.955 107.870 108.800 0.042 0.000 2.488 480 G HA2 0.624 4.618 3.960 0.055 0.000 0.318 480 G HA3 0.624 4.618 3.960 0.055 0.000 0.318 480 G C 0.395 175.329 174.900 0.058 0.000 1.188 480 G CA 0.077 45.200 45.100 0.038 0.000 0.944 480 G HN 0.257 nan 8.290 nan 0.000 0.495 481 G N -1.326 107.509 108.800 0.058 0.000 2.599 481 G HA2 0.424 4.417 3.960 0.055 0.000 0.264 481 G HA3 0.424 4.417 3.960 0.055 0.000 0.264 481 G C -0.827 174.130 174.900 0.097 0.000 1.200 481 G CA -0.572 44.586 45.100 0.097 0.000 0.896 481 G HN 0.456 nan 8.290 nan 0.000 0.536 482 F N 0.187 120.151 119.950 0.024 0.000 2.427 482 F HA 0.464 5.028 4.527 0.061 0.000 0.352 482 F C 0.411 176.224 175.800 0.022 0.000 1.100 482 F CA -0.471 57.538 58.000 0.015 0.000 1.191 482 F CB 1.124 40.136 39.000 0.020 0.000 1.128 482 F HN 0.450 nan 8.300 nan 0.000 0.533 483 E N 4.086 123.934 120.200 -0.587 0.000 2.275 483 E HA 0.316 4.699 4.350 0.055 0.000 0.270 483 E C -1.217 175.057 176.600 -0.542 0.000 0.882 483 E CA -0.784 55.424 56.400 -0.319 0.000 0.758 483 E CB 1.585 31.180 29.700 -0.175 0.000 1.195 483 E HN 0.621 nan 8.360 nan 0.000 0.419 484 S N 2.691 118.296 115.700 -0.159 0.000 2.562 484 S HA -0.025 4.478 4.470 0.055 0.000 0.281 484 S C -0.495 174.082 174.600 -0.040 0.000 1.333 484 S CA -0.280 57.904 58.200 -0.027 0.000 1.052 484 S CB 0.057 63.367 63.200 0.183 0.000 0.884 484 S HN 0.471 nan 8.310 nan 0.000 0.506 485 Y N 2.740 122.966 120.300 -0.125 0.000 2.717 485 Y HA -0.031 4.551 4.550 0.054 0.000 0.330 485 Y C 0.880 176.756 175.900 -0.041 0.000 1.217 485 Y CA 0.171 58.211 58.100 -0.100 0.000 1.506 485 Y CB 0.153 38.552 38.460 -0.102 0.000 1.268 485 Y HN 0.589 nan 8.280 nan 0.000 0.561 486 Q N 5.257 124.643 119.800 -0.690 0.000 3.247 486 Q HA 0.030 4.404 4.340 0.055 0.000 0.326 486 Q C -0.205 175.495 176.000 -0.500 0.000 1.402 486 Q CA -0.075 55.463 55.803 -0.443 0.000 0.994 486 Q CB -0.149 28.404 28.738 -0.307 0.000 1.647 486 Q HN 0.652 nan 8.270 nan 0.000 0.523 487 E N 1.423 121.402 120.200 -0.368 0.000 2.413 487 E HA -0.001 4.382 4.350 0.055 0.000 0.263 487 E C -0.234 176.332 176.600 -0.056 0.000 1.015 487 E CA -0.334 55.986 56.400 -0.132 0.000 0.916 487 E CB 0.642 30.408 29.700 0.109 0.000 0.947 487 E HN 0.137 nan 8.360 nan 0.000 0.440 488 R N 2.884 123.376 120.500 -0.013 0.000 2.340 488 R HA 0.264 4.637 4.340 0.055 0.000 0.300 488 R C -1.500 174.821 176.300 0.036 0.000 1.069 488 R CA -0.298 55.803 56.100 0.002 0.000 0.984 488 R CB 1.011 31.320 30.300 0.015 0.000 1.003 488 R HN 0.275 nan 8.270 nan 0.000 0.459 489 V N 4.711 124.640 119.914 0.025 0.000 2.487 489 V HA 0.424 4.577 4.120 0.055 0.000 0.298 489 V C -0.601 175.506 176.094 0.022 0.000 1.028 489 V CA -0.607 61.713 62.300 0.033 0.000 0.860 489 V CB 1.684 33.523 31.823 0.028 0.000 0.991 489 V HN 0.825 nan 8.190 nan 0.000 0.427 490 E N 2.845 123.060 120.200 0.025 0.000 2.281 490 E HA 0.691 5.074 4.350 0.055 0.000 0.266 490 E C -0.156 176.451 176.600 0.011 0.000 0.893 490 E CA -0.404 56.005 56.400 0.015 0.000 0.798 490 E CB 2.337 32.046 29.700 0.016 0.000 1.245 490 E HN 0.969 nan 8.360 nan 0.000 0.410 491 G N 2.439 111.241 108.800 0.003 0.000 2.328 491 G HA2 0.165 4.158 3.960 0.055 0.000 0.295 491 G HA3 0.165 4.158 3.960 0.055 0.000 0.295 491 G C -1.404 173.491 174.900 -0.008 0.000 1.413 491 G CA -1.004 44.094 45.100 -0.003 0.000 0.817 491 G HN 0.352 nan 8.290 nan 0.000 0.546 492 N N -0.034 118.658 118.700 -0.013 0.000 2.476 492 N HA 0.427 5.200 4.740 0.055 0.000 0.275 492 N C -0.205 175.293 175.510 -0.020 0.000 1.190 492 N CA -0.485 52.555 53.050 -0.016 0.000 0.977 492 N CB 0.879 39.356 38.487 -0.017 0.000 1.200 492 N HN 0.406 nan 8.380 nan 0.000 0.515 493 K N 1.038 121.425 120.400 -0.021 0.000 2.336 493 K HA 0.203 4.556 4.320 0.055 0.000 0.290 493 K C -0.748 175.832 176.600 -0.034 0.000 1.067 493 K CA -0.210 56.060 56.287 -0.027 0.000 0.962 493 K CB -0.272 32.213 32.500 -0.025 0.000 1.008 493 K HN 0.365 nan 8.250 nan 0.000 0.467 494 V N 0.191 120.079 119.914 -0.042 0.000 2.925 494 V HA 0.485 4.638 4.120 0.055 0.000 0.311 494 V C -0.602 175.453 176.094 -0.064 0.000 1.104 494 V CA -1.347 60.924 62.300 -0.049 0.000 0.954 494 V CB 2.050 33.846 31.823 -0.046 0.000 1.022 494 V HN 0.609 nan 8.190 nan 0.000 0.427 495 R N 2.371 122.828 120.500 -0.071 0.000 2.369 495 R HA 0.620 4.993 4.340 0.055 0.000 0.310 495 R C -0.538 175.716 176.300 -0.077 0.000 1.141 495 R CA -0.142 55.903 56.100 -0.090 0.000 1.116 495 R CB 0.804 31.038 30.300 -0.110 0.000 1.135 495 R HN 0.943 nan 8.270 nan 0.000 0.529 496 E N 2.173 122.324 120.200 -0.082 0.000 2.321 496 E HA 0.201 4.584 4.350 0.055 0.000 0.281 496 E C -1.344 175.191 176.600 -0.108 0.000 0.910 496 E CA -0.962 55.393 56.400 -0.075 0.000 0.770 496 E CB 1.583 31.244 29.700 -0.064 0.000 1.225 496 E HN 0.150 nan 8.360 nan 0.000 0.417 497 R N 1.816 122.256 120.500 -0.101 0.000 2.390 497 R HA 0.228 4.602 4.340 0.055 0.000 0.291 497 R C -0.511 175.672 176.300 -0.194 0.000 1.070 497 R CA 0.067 56.066 56.100 -0.168 0.000 1.014 497 R CB 1.219 31.480 30.300 -0.066 0.000 1.007 497 R HN 0.390 nan 8.270 nan 0.000 0.466 498 S N 4.934 120.408 115.700 -0.377 0.000 2.546 498 S HA 0.086 4.589 4.470 0.055 0.000 0.290 498 S C -1.538 173.036 174.600 -0.042 0.000 1.290 498 S CA -1.164 56.901 58.200 -0.225 0.000 1.069 498 S CB 0.647 63.674 63.200 -0.288 0.000 0.846 498 S HN 0.543 nan 8.310 nan 0.000 0.495 499 P HA -0.129 nan 4.420 nan 0.000 0.216 499 P C 1.627 178.983 177.300 0.092 0.000 1.150 499 P CA 1.423 64.547 63.100 0.040 0.000 0.843 499 P CB -0.092 31.621 31.700 0.022 0.000 0.787 500 S N -1.936 113.855 115.700 0.151 0.000 2.465 500 S HA -0.152 4.351 4.470 0.055 0.000 0.241 500 S C 1.501 176.274 174.600 0.288 0.000 1.000 500 S CA 0.986 59.309 58.200 0.205 0.000 0.964 500 S CB -1.507 61.850 63.200 0.262 0.000 0.763 500 S HN -0.014 nan 8.310 nan 0.000 0.512 501 F N 2.303 122.253 119.950 -0.001 0.000 2.811 501 F HA 0.354 4.912 4.527 0.052 0.000 0.301 501 F C 2.063 177.814 175.800 -0.082 0.000 1.151 501 F CA -0.615 57.383 58.000 -0.003 0.000 1.412 501 F CB -0.701 38.327 39.000 0.047 0.000 1.113 501 F HN 0.373 nan 8.300 nan 0.000 0.579 502 G N 0.007 108.814 108.800 0.013 0.000 3.474 502 G HA2 0.036 4.029 3.960 0.055 0.000 0.269 502 G HA3 0.036 4.029 3.960 0.055 0.000 0.269 502 G C 0.093 174.559 174.900 -0.724 0.000 1.339 502 G CA 0.076 45.008 45.100 -0.281 0.000 1.258 502 G HN 0.061 nan 8.290 nan 0.000 0.560 503 E N -0.054 119.704 120.200 -0.738 0.000 2.246 503 E HA 0.377 4.760 4.350 0.055 0.000 0.266 503 E C -0.837 175.380 176.600 -0.638 0.000 0.880 503 E CA -0.750 55.261 56.400 -0.647 0.000 0.762 503 E CB 1.591 31.150 29.700 -0.236 0.000 1.180 503 E HN 0.184 nan 8.360 nan 0.000 0.416 504 Y N 2.477 122.567 120.300 -0.350 0.000 2.448 504 Y HA 0.180 4.763 4.550 0.056 0.000 0.257 504 Y C 0.703 176.333 175.900 -0.452 0.000 1.089 504 Y CA -0.182 57.623 58.100 -0.491 0.000 1.245 504 Y CB 0.341 38.331 38.460 -0.785 0.000 1.282 504 Y HN 0.435 nan 8.280 nan 0.000 0.529 505 Y N -1.167 119.220 120.300 0.146 0.000 2.483 505 Y HA 0.093 4.677 4.550 0.057 0.000 0.258 505 Y C 2.404 178.367 175.900 0.104 0.000 1.083 505 Y CA 0.267 58.446 58.100 0.131 0.000 1.283 505 Y CB -0.339 38.203 38.460 0.136 0.000 1.178 505 Y HN 0.049 nan 8.280 nan 0.000 0.515 506 S N -0.901 114.932 115.700 0.221 0.000 2.406 506 S HA -0.159 4.344 4.470 0.055 0.000 0.228 506 S C 1.406 176.086 174.600 0.134 0.000 1.020 506 S CA 1.359 59.672 58.200 0.187 0.000 0.965 506 S CB -0.535 62.778 63.200 0.189 0.000 0.798 506 S HN 0.412 nan 8.310 nan 0.000 0.488 507 H N 2.778 121.768 119.070 -0.134 0.000 2.363 507 H HA 0.195 4.785 4.556 0.056 0.000 0.301 507 H C -0.689 174.451 175.328 -0.314 0.000 1.074 507 H CA 1.191 57.014 56.048 -0.375 0.000 1.354 507 H CB -1.704 27.601 29.762 -0.761 0.000 1.397 507 H HN 0.383 nan 8.280 nan 0.000 0.516 508 P HA -0.161 nan 4.420 nan 0.000 0.216 508 P C 1.484 178.973 177.300 0.315 0.000 1.150 508 P CA 1.663 64.921 63.100 0.263 0.000 0.837 508 P CB 0.110 31.985 31.700 0.291 0.000 0.786 509 R N -0.395 120.239 120.500 0.223 0.000 2.062 509 R HA -0.097 4.276 4.340 0.055 0.000 0.229 509 R C 2.156 178.588 176.300 0.219 0.000 1.128 509 R CA 1.068 57.305 56.100 0.229 0.000 0.960 509 R CB -1.105 29.291 30.300 0.161 0.000 0.855 509 R HN 0.047 nan 8.270 nan 0.000 0.432 510 L N 0.514 121.807 121.223 0.116 0.000 2.042 510 L HA -0.127 4.246 4.340 0.055 0.000 0.210 510 L C 1.999 178.921 176.870 0.088 0.000 1.076 510 L CA 1.742 56.611 54.840 0.048 0.000 0.749 510 L CB -0.684 41.330 42.059 -0.076 0.000 0.893 510 L HN 0.269 nan 8.230 nan 0.000 0.432 511 F N -0.797 119.184 119.950 0.051 0.000 2.102 511 F HA -0.258 4.304 4.527 0.058 0.000 0.298 511 F C 2.306 178.110 175.800 0.008 0.000 1.105 511 F CA 2.055 60.068 58.000 0.021 0.000 1.239 511 F CB -0.660 38.399 39.000 0.099 0.000 0.991 511 F HN 0.375 nan 8.300 nan 0.000 0.474 512 W N 1.438 122.725 121.300 -0.021 0.000 2.317 512 W HA -0.266 4.427 4.660 0.054 0.000 0.318 512 W C 1.724 178.122 176.519 -0.202 0.000 1.227 512 W CA 1.903 59.188 57.345 -0.101 0.000 1.269 512 W CB -0.756 28.729 29.460 0.042 0.000 1.155 512 W HN 0.070 nan 8.180 nan 0.000 0.484 513 L N 1.050 122.190 121.223 -0.137 0.000 2.465 513 L HA -0.136 4.238 4.340 0.055 0.000 0.224 513 L C 2.245 178.925 176.870 -0.317 0.000 1.145 513 L CA 0.893 55.586 54.840 -0.245 0.000 0.834 513 L CB -0.576 41.465 42.059 -0.029 0.000 0.944 513 L HN -0.102 nan 8.230 nan 0.000 0.451 514 S N -1.523 113.965 115.700 -0.354 0.000 2.548 514 S HA 0.061 4.564 4.470 0.055 0.000 0.215 514 S C 0.716 175.037 174.600 -0.465 0.000 0.976 514 S CA 0.010 58.005 58.200 -0.343 0.000 0.908 514 S CB 0.115 63.141 63.200 -0.289 0.000 0.781 514 S HN 0.289 nan 8.310 nan 0.000 0.519 515 Q N 2.308 121.727 119.800 -0.634 0.000 2.259 515 Q HA 0.279 4.652 4.340 0.055 0.000 0.246 515 Q C 0.627 176.242 176.000 -0.641 0.000 0.920 515 Q CA -0.089 55.304 55.803 -0.684 0.000 0.895 515 Q CB 0.528 28.790 28.738 -0.794 0.000 1.220 515 Q HN 0.435 nan 8.270 nan 0.000 0.439 516 T N -1.461 112.679 114.554 -0.691 0.000 2.748 516 T HA 0.137 4.520 4.350 0.055 0.000 0.304 516 T C -1.714 172.523 174.700 -0.772 0.000 1.041 516 T CA -1.200 60.444 62.100 -0.760 0.000 1.033 516 T CB 0.261 68.413 68.868 -1.194 0.000 0.995 516 T HN 0.235 nan 8.240 nan 0.000 0.536 517 P HA 0.015 nan 4.420 nan 0.000 0.217 517 P C 1.387 178.481 177.300 -0.343 0.000 1.150 517 P CA 0.936 63.812 63.100 -0.372 0.000 0.832 517 P CB -0.241 31.359 31.700 -0.165 0.000 0.787 518 F N -0.208 119.546 119.950 -0.327 0.000 2.259 518 F HA 0.050 4.610 4.527 0.055 0.000 0.298 518 F C 1.839 177.290 175.800 -0.581 0.000 1.088 518 F CA 0.819 58.561 58.000 -0.430 0.000 1.358 518 F CB -1.616 37.122 39.000 -0.435 0.000 1.040 518 F HN -0.110 nan 8.300 nan 0.000 0.505 519 E N 0.684 120.354 120.200 -0.883 0.000 2.077 519 E HA -0.224 4.159 4.350 0.055 0.000 0.193 519 E C 2.209 178.626 176.600 -0.305 0.000 0.989 519 E CA 1.503 57.600 56.400 -0.504 0.000 0.800 519 E CB -0.313 29.038 29.700 -0.582 0.000 0.746 519 E HN 0.622 nan 8.360 nan 0.000 0.452 520 Q N 0.310 119.837 119.800 -0.454 0.000 2.077 520 Q HA -0.239 4.134 4.340 0.055 0.000 0.206 520 Q C 2.295 178.333 176.000 0.063 0.000 0.989 520 Q CA 1.623 57.197 55.803 -0.382 0.000 0.853 520 Q CB -0.244 27.983 28.738 -0.851 0.000 0.907 520 Q HN 0.145 nan 8.270 nan 0.000 0.418 521 R N 0.079 120.581 120.500 0.003 0.000 2.081 521 R HA -0.157 4.216 4.340 0.055 0.000 0.235 521 R C 1.814 178.281 176.300 0.278 0.000 1.131 521 R CA 1.652 57.835 56.100 0.139 0.000 0.960 521 R CB -0.199 30.148 30.300 0.077 0.000 0.856 521 R HN 0.461 nan 8.270 nan 0.000 0.436 522 H N -0.345 118.822 119.070 0.162 0.000 2.387 522 H HA -0.078 4.511 4.556 0.055 0.000 0.299 522 H C 2.138 177.582 175.328 0.192 0.000 1.090 522 H CA 1.332 57.488 56.048 0.179 0.000 1.332 522 H CB 0.028 29.900 29.762 0.184 0.000 1.386 522 H HN 0.231 nan 8.280 nan 0.000 0.516 523 I N 0.102 120.892 120.570 0.366 0.000 2.202 523 I HA -0.245 3.958 4.170 0.055 0.000 0.242 523 I C 2.297 178.699 176.117 0.474 0.000 1.091 523 I CA 0.693 62.241 61.300 0.415 0.000 1.368 523 I CB -0.124 38.216 38.000 0.568 0.000 1.058 523 I HN 0.077 nan 8.210 nan 0.000 0.410 524 V N 0.980 121.164 119.914 0.449 0.000 2.282 524 V HA -0.338 3.815 4.120 0.055 0.000 0.249 524 V C 2.028 178.292 176.094 0.283 0.000 1.057 524 V CA 2.163 64.670 62.300 0.345 0.000 1.032 524 V CB -0.689 31.299 31.823 0.275 0.000 0.645 524 V HN 0.432 nan 8.190 nan 0.000 0.447 525 D N 0.267 120.821 120.400 0.257 0.000 2.178 525 D HA -0.077 4.596 4.640 0.055 0.000 0.202 525 D C 2.159 178.538 176.300 0.132 0.000 0.974 525 D CA 1.468 55.588 54.000 0.200 0.000 0.841 525 D CB -0.542 40.385 40.800 0.212 0.000 0.953 525 D HN 0.485 nan 8.370 nan 0.000 0.478 526 G N 0.236 109.094 108.800 0.097 0.000 2.433 526 G HA2 -0.243 3.750 3.960 0.055 0.000 0.216 526 G HA3 -0.243 3.750 3.960 0.055 0.000 0.216 526 G C 1.453 176.353 174.900 -0.000 0.000 1.186 526 G CA 0.183 45.246 45.100 -0.062 0.000 0.779 526 G HN 0.162 nan 8.290 nan 0.000 0.543 527 F N 1.853 121.845 119.950 0.069 0.000 2.126 527 F HA -0.108 4.453 4.527 0.055 0.000 0.299 527 F C 3.182 178.909 175.800 -0.121 0.000 1.096 527 F CA 1.662 59.639 58.000 -0.038 0.000 1.255 527 F CB -0.349 38.631 39.000 -0.033 0.000 0.997 527 F HN 0.086 nan 8.300 nan 0.000 0.479 528 S N -0.183 115.614 115.700 0.161 0.000 2.356 528 S HA -0.210 4.293 4.470 0.055 0.000 0.223 528 S C 1.866 176.492 174.600 0.043 0.000 1.032 528 S CA 1.281 59.524 58.200 0.072 0.000 1.005 528 S CB -0.796 62.467 63.200 0.105 0.000 0.867 528 S HN 0.403 nan 8.310 nan 0.000 0.449 529 F N 2.551 122.461 119.950 -0.067 0.000 2.102 529 F HA -0.093 4.466 4.527 0.054 0.000 0.298 529 F C 2.319 178.056 175.800 -0.105 0.000 1.105 529 F CA 1.444 59.394 58.000 -0.084 0.000 1.239 529 F CB -0.246 38.648 39.000 -0.176 0.000 0.991 529 F HN 0.141 nan 8.300 nan 0.000 0.474 530 E N 0.507 120.706 120.200 -0.001 0.000 2.072 530 E HA -0.192 4.191 4.350 0.055 0.000 0.191 530 E C 2.335 178.753 176.600 -0.303 0.000 0.985 530 E CA 1.495 57.857 56.400 -0.064 0.000 0.801 530 E CB -0.475 29.335 29.700 0.183 0.000 0.750 530 E HN 0.469 nan 8.360 nan 0.000 0.452 531 L N 1.406 122.368 121.223 -0.435 0.000 2.275 531 L HA -0.118 4.255 4.340 0.055 0.000 0.215 531 L C 2.641 179.346 176.870 -0.275 0.000 1.119 531 L CA 1.018 55.573 54.840 -0.476 0.000 0.790 531 L CB -0.363 41.427 42.059 -0.449 0.000 0.919 531 L HN 0.137 nan 8.230 nan 0.000 0.443 532 S N -1.076 114.475 115.700 -0.248 0.000 2.481 532 S HA -0.060 4.443 4.470 0.055 0.000 0.231 532 S C 1.711 176.196 174.600 -0.192 0.000 0.996 532 S CA 0.389 58.471 58.200 -0.197 0.000 0.942 532 S CB -0.040 63.042 63.200 -0.197 0.000 0.768 532 S HN 0.245 nan 8.310 nan 0.000 0.520 533 K N 1.282 121.547 120.400 -0.224 0.000 2.404 533 K HA 0.348 4.701 4.320 0.055 0.000 0.194 533 K C -0.174 176.422 176.600 -0.008 0.000 1.023 533 K CA -0.009 56.204 56.287 -0.123 0.000 1.094 533 K CB 0.223 32.641 32.500 -0.137 0.000 0.841 533 K HN 0.308 nan 8.250 nan 0.000 0.523 534 V N 2.059 121.947 119.914 -0.043 0.000 2.385 534 V HA 0.028 4.181 4.120 0.055 0.000 0.269 534 V C 1.636 177.714 176.094 -0.027 0.000 1.043 534 V CA -0.123 62.177 62.300 0.000 0.000 0.906 534 V CB 1.454 33.242 31.823 -0.057 0.000 0.995 534 V HN -0.134 nan 8.190 nan 0.000 0.467 535 V N 5.192 125.111 119.914 0.010 0.000 2.488 535 V HA -0.016 4.137 4.120 0.055 0.000 0.246 535 V C 1.315 177.392 176.094 -0.028 0.000 1.046 535 V CA 1.160 63.461 62.300 0.002 0.000 1.053 535 V CB -0.419 31.422 31.823 0.030 0.000 0.679 535 V HN 0.756 nan 8.190 nan 0.000 0.458 536 R N 1.050 121.509 120.500 -0.068 0.000 2.288 536 R HA 0.160 4.533 4.340 0.055 0.000 0.330 536 R C -1.802 174.372 176.300 -0.209 0.000 1.069 536 R CA -1.252 54.775 56.100 -0.121 0.000 0.941 536 R CB 0.505 30.670 30.300 -0.225 0.000 0.998 536 R HN 0.260 nan 8.270 nan 0.000 0.452 537 P HA -0.145 nan 4.420 nan 0.000 0.222 537 P C 0.617 177.873 177.300 -0.072 0.000 1.153 537 P CA 0.872 63.933 63.100 -0.065 0.000 0.798 537 P CB 0.045 31.747 31.700 0.004 0.000 0.796 538 Y N -1.324 118.975 120.300 -0.001 0.000 2.333 538 Y HA -0.078 4.505 4.550 0.055 0.000 0.290 538 Y C 1.863 177.767 175.900 0.008 0.000 1.144 538 Y CA 0.681 58.781 58.100 0.000 0.000 1.228 538 Y CB -1.765 36.696 38.460 0.002 0.000 0.985 538 Y HN -0.122 nan 8.280 nan 0.000 0.542 539 I N 1.050 121.184 120.570 -0.728 0.000 2.252 539 I HA -0.255 3.949 4.170 0.055 0.000 0.245 539 I C 2.496 178.522 176.117 -0.151 0.000 1.102 539 I CA 1.445 62.507 61.300 -0.398 0.000 1.385 539 I CB -0.401 37.359 38.000 -0.400 0.000 1.064 539 I HN 0.197 nan 8.210 nan 0.000 0.414 540 R N 0.899 121.298 120.500 -0.167 0.000 2.091 540 R HA -0.190 4.183 4.340 0.055 0.000 0.238 540 R C 2.087 178.335 176.300 -0.087 0.000 1.136 540 R CA 1.502 57.517 56.100 -0.142 0.000 0.959 540 R CB -0.498 29.716 30.300 -0.143 0.000 0.856 540 R HN 0.471 nan 8.270 nan 0.000 0.437 541 E N 0.596 120.768 120.200 -0.047 0.000 2.077 541 E HA -0.160 4.223 4.350 0.055 0.000 0.193 541 E C 2.145 178.750 176.600 0.008 0.000 0.989 541 E CA 1.065 57.459 56.400 -0.009 0.000 0.800 541 E CB -0.025 29.695 29.700 0.033 0.000 0.746 541 E HN 0.299 nan 8.360 nan 0.000 0.452 542 R N 0.270 120.789 120.500 0.031 0.000 2.092 542 R HA -0.071 4.302 4.340 0.055 0.000 0.231 542 R C 2.394 178.716 176.300 0.036 0.000 1.119 542 R CA 0.854 56.985 56.100 0.052 0.000 0.970 542 R CB -0.169 30.184 30.300 0.088 0.000 0.864 542 R HN 0.048 nan 8.270 nan 0.000 0.440 543 V N 0.437 120.366 119.914 0.025 0.000 2.307 543 V HA -0.216 3.938 4.120 0.055 0.000 0.245 543 V C 2.337 178.407 176.094 -0.040 0.000 1.045 543 V CA 1.562 63.884 62.300 0.038 0.000 1.024 543 V CB -0.365 31.494 31.823 0.059 0.000 0.651 543 V HN 0.104 nan 8.190 nan 0.000 0.449 544 V N 0.601 120.466 119.914 -0.080 0.000 2.282 544 V HA -0.377 3.776 4.120 0.055 0.000 0.249 544 V C 2.330 178.385 176.094 -0.064 0.000 1.057 544 V CA 2.629 64.865 62.300 -0.107 0.000 1.032 544 V CB -0.796 30.970 31.823 -0.095 0.000 0.645 544 V HN 0.661 nan 8.190 nan 0.000 0.447 545 D N -0.617 119.776 120.400 -0.012 0.000 2.133 545 D HA -0.234 4.439 4.640 0.055 0.000 0.195 545 D C 2.279 178.649 176.300 0.117 0.000 0.997 545 D CA 1.667 55.696 54.000 0.048 0.000 0.840 545 D CB -0.096 40.748 40.800 0.073 0.000 0.947 545 D HN 0.561 nan 8.370 nan 0.000 0.452 546 Q N -0.510 119.320 119.800 0.050 0.000 2.124 546 Q HA -0.096 4.277 4.340 0.055 0.000 0.202 546 Q C 2.469 178.479 176.000 0.016 0.000 0.977 546 Q CA 0.824 56.653 55.803 0.043 0.000 0.850 546 Q CB -0.083 28.705 28.738 0.084 0.000 0.901 546 Q HN 0.408 nan 8.270 nan 0.000 0.429 547 L N 0.135 121.310 121.223 -0.080 0.000 2.131 547 L HA -0.152 4.221 4.340 0.055 0.000 0.210 547 L C 2.391 179.148 176.870 -0.189 0.000 1.092 547 L CA 0.802 55.521 54.840 -0.202 0.000 0.759 547 L CB -0.574 41.264 42.059 -0.368 0.000 0.903 547 L HN 0.209 nan 8.230 nan 0.000 0.435 548 A N -0.868 121.871 122.820 -0.134 0.000 2.121 548 A HA -0.190 4.164 4.320 0.055 0.000 0.218 548 A C 1.736 179.166 177.584 -0.257 0.000 1.154 548 A CA 1.171 53.099 52.037 -0.181 0.000 0.679 548 A CB -0.685 18.218 19.000 -0.161 0.000 0.795 548 A HN 0.437 nan 8.150 nan 0.000 0.458 549 H N -1.138 117.721 119.070 -0.351 0.000 2.548 549 H HA 0.252 4.842 4.556 0.056 0.000 0.268 549 H C 1.580 176.628 175.328 -0.468 0.000 0.975 549 H CA 1.041 56.742 56.048 -0.577 0.000 1.195 549 H CB 0.082 29.098 29.762 -1.244 0.000 1.397 549 H HN 0.511 nan 8.280 nan 0.000 0.572 550 I N -1.217 119.248 120.570 -0.175 0.000 2.681 550 I HA 0.089 4.293 4.170 0.055 0.000 0.247 550 I C -0.142 175.901 176.117 -0.124 0.000 1.091 550 I CA 0.440 61.700 61.300 -0.066 0.000 1.442 550 I CB 0.630 38.621 38.000 -0.015 0.000 1.219 550 I HN 0.074 nan 8.210 nan 0.000 0.451 551 D N -0.302 119.954 120.400 -0.240 0.000 2.871 551 D HA 0.165 4.838 4.640 0.055 0.000 0.209 551 D C 0.249 176.387 176.300 -0.270 0.000 1.292 551 D CA -0.362 53.481 54.000 -0.261 0.000 0.869 551 D CB 1.516 42.027 40.800 -0.482 0.000 1.663 551 D HN -0.029 nan 8.370 nan 0.000 0.557 552 L N 2.874 123.997 121.223 -0.166 0.000 2.083 552 L HA -0.088 4.286 4.340 0.055 0.000 0.209 552 L C 1.280 178.072 176.870 -0.131 0.000 1.083 552 L CA 1.794 56.550 54.840 -0.141 0.000 0.752 552 L CB -0.383 41.622 42.059 -0.089 0.000 0.899 552 L HN 0.569 nan 8.230 nan 0.000 0.433 553 T N 0.642 115.142 114.554 -0.090 0.000 2.777 553 T HA -0.190 4.194 4.350 0.055 0.000 0.266 553 T C 1.802 176.441 174.700 -0.101 0.000 1.040 553 T CA 1.468 63.556 62.100 -0.020 0.000 1.141 553 T CB -0.293 68.651 68.868 0.127 0.000 0.868 553 T HN 0.280 nan 8.240 nan 0.000 0.444 554 L N 1.806 122.817 121.223 -0.353 0.000 2.012 554 L HA 0.003 4.376 4.340 0.055 0.000 0.210 554 L C 2.575 179.220 176.870 -0.375 0.000 1.073 554 L CA 2.158 56.626 54.840 -0.619 0.000 0.748 554 L CB -1.210 40.054 42.059 -1.324 0.000 0.891 554 L HN 0.211 nan 8.230 nan 0.000 0.431 555 A N -1.125 121.494 122.820 -0.335 0.000 1.877 555 A HA -0.259 4.094 4.320 0.055 0.000 0.216 555 A C 2.236 179.722 177.584 -0.162 0.000 1.186 555 A CA 1.867 53.754 52.037 -0.250 0.000 0.620 555 A CB -0.675 18.197 19.000 -0.213 0.000 0.822 555 A HN 0.683 nan 8.150 nan 0.000 0.443 556 Q N -0.802 118.925 119.800 -0.122 0.000 2.084 556 Q HA -0.123 4.250 4.340 0.055 0.000 0.202 556 Q C 2.434 178.407 176.000 -0.046 0.000 0.978 556 Q CA 1.442 57.204 55.803 -0.069 0.000 0.844 556 Q CB -0.378 28.334 28.738 -0.045 0.000 0.898 556 Q HN 0.694 nan 8.270 nan 0.000 0.426 557 A N 0.026 122.824 122.820 -0.036 0.000 1.933 557 A HA -0.135 4.219 4.320 0.055 0.000 0.218 557 A C 2.260 179.843 177.584 -0.001 0.000 1.175 557 A CA 1.325 53.367 52.037 0.008 0.000 0.628 557 A CB -0.537 18.499 19.000 0.060 0.000 0.814 557 A HN 0.223 nan 8.150 nan 0.000 0.444 558 V N -0.358 119.526 119.914 -0.050 0.000 2.379 558 V HA -0.159 3.995 4.120 0.055 0.000 0.245 558 V C 3.045 179.106 176.094 -0.055 0.000 1.044 558 V CA 1.661 63.930 62.300 -0.051 0.000 1.036 558 V CB -1.132 30.608 31.823 -0.138 0.000 0.664 558 V HN 0.599 nan 8.190 nan 0.000 0.453 559 A N -0.153 122.622 122.820 -0.073 0.000 1.908 559 A HA -0.311 4.042 4.320 0.055 0.000 0.218 559 A C 2.294 179.859 177.584 -0.032 0.000 1.181 559 A CA 2.408 54.410 52.037 -0.059 0.000 0.627 559 A CB -0.522 18.441 19.000 -0.062 0.000 0.818 559 A HN 0.516 nan 8.150 nan 0.000 0.445 560 K N -0.367 120.022 120.400 -0.019 0.000 2.032 560 K HA -0.181 4.172 4.320 0.055 0.000 0.209 560 K C 1.579 178.183 176.600 0.006 0.000 1.048 560 K CA 1.685 57.971 56.287 -0.002 0.000 0.927 560 K CB -0.181 32.325 32.500 0.010 0.000 0.712 560 K HN 0.448 nan 8.250 nan 0.000 0.441 561 N N 0.270 118.977 118.700 0.012 0.000 2.453 561 N HA -0.115 4.658 4.740 0.055 0.000 0.183 561 N C 0.831 176.343 175.510 0.003 0.000 1.041 561 N CA 0.752 53.815 53.050 0.022 0.000 0.900 561 N CB 0.104 38.617 38.487 0.044 0.000 0.961 561 N HN 0.132 nan 8.380 nan 0.000 0.443 562 L N -0.694 120.520 121.223 -0.016 0.000 2.640 562 L HA 0.300 4.673 4.340 0.055 0.000 0.230 562 L C 1.170 178.026 176.870 -0.024 0.000 1.123 562 L CA 0.183 55.004 54.840 -0.032 0.000 0.900 562 L CB -0.800 41.225 42.059 -0.056 0.000 1.146 562 L HN 0.198 nan 8.230 nan 0.000 0.484 563 G N 0.759 109.551 108.800 -0.014 0.000 2.198 563 G HA2 -0.277 3.716 3.960 0.055 0.000 0.257 563 G HA3 -0.277 3.716 3.960 0.055 0.000 0.257 563 G C 0.327 175.218 174.900 -0.014 0.000 1.042 563 G CA 0.311 45.405 45.100 -0.010 0.000 0.791 563 G HN 0.307 nan 8.290 nan 0.000 0.502 564 I N -0.140 120.418 120.570 -0.021 0.000 2.460 564 I HA 0.460 4.663 4.170 0.055 0.000 0.298 564 I C 0.286 176.389 176.117 -0.023 0.000 0.989 564 I CA -0.716 60.570 61.300 -0.024 0.000 1.173 564 I CB 1.765 39.744 38.000 -0.035 0.000 1.338 564 I HN 0.044 nan 8.210 nan 0.000 0.456 565 E N 4.386 124.574 120.200 -0.020 0.000 2.187 565 E HA 0.357 4.741 4.350 0.055 0.000 0.268 565 E C -1.261 175.324 176.600 -0.026 0.000 0.896 565 E CA -1.068 55.319 56.400 -0.021 0.000 0.766 565 E CB 2.189 31.880 29.700 -0.014 0.000 1.142 565 E HN 0.244 nan 8.360 nan 0.000 0.408 566 L N 2.827 124.029 121.223 -0.034 0.000 2.453 566 L HA 0.051 4.425 4.340 0.055 0.000 0.272 566 L C 1.089 177.940 176.870 -0.033 0.000 1.182 566 L CA 0.460 55.276 54.840 -0.040 0.000 0.858 566 L CB 0.494 42.521 42.059 -0.053 0.000 1.120 566 L HN 0.589 nan 8.230 nan 0.000 0.474 567 T N -1.168 113.367 114.554 -0.032 0.000 2.813 567 T HA 0.098 4.481 4.350 0.055 0.000 0.297 567 T C 0.942 175.621 174.700 -0.034 0.000 1.036 567 T CA -0.398 61.686 62.100 -0.027 0.000 1.044 567 T CB 0.429 69.284 68.868 -0.022 0.000 0.993 567 T HN 0.599 nan 8.240 nan 0.000 0.535 568 D N 0.425 120.807 120.400 -0.029 0.000 2.133 568 D HA -0.106 4.567 4.640 0.055 0.000 0.195 568 D C 1.623 177.899 176.300 -0.041 0.000 0.997 568 D CA 1.524 55.505 54.000 -0.032 0.000 0.840 568 D CB -0.159 40.626 40.800 -0.024 0.000 0.947 568 D HN 0.633 nan 8.370 nan 0.000 0.452 569 D N -0.096 120.281 120.400 -0.039 0.000 2.116 569 D HA -0.157 4.516 4.640 0.055 0.000 0.193 569 D C 2.041 178.293 176.300 -0.080 0.000 0.998 569 D CA 0.917 54.887 54.000 -0.049 0.000 0.836 569 D CB -0.208 40.571 40.800 -0.036 0.000 0.951 569 D HN 0.323 nan 8.370 nan 0.000 0.449 570 Q N -0.644 119.108 119.800 -0.080 0.000 2.124 570 Q HA -0.081 4.292 4.340 0.055 0.000 0.202 570 Q C 1.782 177.711 176.000 -0.118 0.000 0.977 570 Q CA 0.475 56.210 55.803 -0.113 0.000 0.850 570 Q CB 0.050 28.736 28.738 -0.086 0.000 0.901 570 Q HN 0.184 nan 8.270 nan 0.000 0.429 571 L N 0.858 122.030 121.223 -0.085 0.000 2.362 571 L HA -0.092 4.281 4.340 0.055 0.000 0.219 571 L C 0.948 177.770 176.870 -0.080 0.000 1.134 571 L CA 1.400 56.194 54.840 -0.076 0.000 0.807 571 L CB -0.477 41.550 42.059 -0.053 0.000 0.927 571 L HN 0.246 nan 8.230 nan 0.000 0.447 572 N N -0.871 117.777 118.700 -0.087 0.000 2.214 572 N HA 0.190 4.964 4.740 0.055 0.000 0.214 572 N C 0.348 175.796 175.510 -0.103 0.000 1.132 572 N CA -0.029 52.974 53.050 -0.079 0.000 0.856 572 N CB 0.864 39.316 38.487 -0.058 0.000 1.020 572 N HN 0.209 nan 8.380 nan 0.000 0.509 573 I N 1.627 122.103 120.570 -0.157 0.000 2.517 573 I HA -0.023 4.181 4.170 0.055 0.000 0.285 573 I C 0.477 176.500 176.117 -0.156 0.000 1.106 573 I CA 0.255 61.427 61.300 -0.213 0.000 1.402 573 I CB 0.424 38.177 38.000 -0.410 0.000 1.399 573 I HN -0.175 nan 8.210 nan 0.000 0.535 574 T N 8.560 123.049 114.554 -0.108 0.000 2.867 574 T HA 0.106 4.489 4.350 0.055 0.000 0.297 574 T C -1.884 172.780 174.700 -0.060 0.000 0.989 574 T CA -0.722 61.340 62.100 -0.063 0.000 1.159 574 T CB -0.026 68.823 68.868 -0.030 0.000 0.928 574 T HN 0.435 nan 8.240 nan 0.000 0.538 575 P HA 0.207 nan 4.420 nan 0.000 0.270 575 P C -2.469 174.846 177.300 0.025 0.000 1.223 575 P CA -1.345 61.743 63.100 -0.020 0.000 0.785 575 P CB -0.375 31.323 31.700 -0.003 0.000 0.923 576 P HA 0.257 nan 4.420 nan 0.000 0.272 576 P C -2.443 174.913 177.300 0.093 0.000 1.240 576 P CA -1.302 61.868 63.100 0.116 0.000 0.791 576 P CB -1.091 30.725 31.700 0.193 0.000 0.978 577 P HA 0.107 nan 4.420 nan 0.000 0.271 577 P C -0.130 177.221 177.300 0.085 0.000 1.233 577 P CA 0.172 63.320 63.100 0.081 0.000 0.789 577 P CB 0.204 31.954 31.700 0.084 0.000 0.951 578 D N -0.414 120.028 120.400 0.071 0.000 2.363 578 D HA 0.088 4.761 4.640 0.055 0.000 0.240 578 D C -0.199 176.151 176.300 0.084 0.000 1.236 578 D CA 0.094 54.133 54.000 0.064 0.000 0.927 578 D CB 0.415 41.247 40.800 0.054 0.000 1.150 578 D HN -0.032 nan 8.370 nan 0.000 0.458 579 V N 1.919 121.873 119.914 0.067 0.000 2.318 579 V HA 0.076 4.229 4.120 0.055 0.000 0.271 579 V C 0.171 176.358 176.094 0.155 0.000 1.030 579 V CA -0.558 61.811 62.300 0.115 0.000 0.844 579 V CB -0.109 31.693 31.823 -0.035 0.000 1.015 579 V HN 0.578 nan 8.190 nan 0.000 0.460 580 N N 4.324 123.136 118.700 0.187 0.000 2.716 580 N HA -0.228 4.545 4.740 0.055 0.000 0.250 580 N C 1.166 176.743 175.510 0.111 0.000 1.033 580 N CA 1.102 54.249 53.050 0.162 0.000 0.727 580 N CB -0.879 37.755 38.487 0.246 0.000 0.950 580 N HN 1.322 nan 8.380 nan 0.000 0.541 581 G N -2.065 106.785 108.800 0.084 0.000 2.179 581 G HA2 -0.324 3.669 3.960 0.055 0.000 0.260 581 G HA3 -0.324 3.669 3.960 0.055 0.000 0.260 581 G C 0.068 175.000 174.900 0.053 0.000 0.977 581 G CA 0.335 45.472 45.100 0.060 0.000 0.641 581 G HN 0.400 nan 8.290 nan 0.000 0.533 582 L N 1.049 122.307 121.223 0.058 0.000 2.305 582 L HA 0.444 4.817 4.340 0.055 0.000 0.281 582 L C 1.493 178.378 176.870 0.025 0.000 1.085 582 L CA -0.438 54.425 54.840 0.039 0.000 0.813 582 L CB 1.153 43.235 42.059 0.038 0.000 1.157 582 L HN 0.211 nan 8.230 nan 0.000 0.436 583 K N 3.214 123.623 120.400 0.015 0.000 2.414 583 K HA 0.235 4.589 4.320 0.055 0.000 0.204 583 K C -0.420 176.172 176.600 -0.012 0.000 1.026 583 K CA -0.207 56.085 56.287 0.009 0.000 1.108 583 K CB 0.574 33.081 32.500 0.012 0.000 0.855 583 K HN 0.717 nan 8.250 nan 0.000 0.517 584 K N -0.534 119.855 120.400 -0.019 0.000 2.931 584 K HA 0.253 4.607 4.320 0.055 0.000 0.292 584 K C -2.228 174.353 176.600 -0.032 0.000 1.077 584 K CA -0.834 55.425 56.287 -0.046 0.000 0.829 584 K CB 0.669 33.123 32.500 -0.077 0.000 1.488 584 K HN -0.140 nan 8.250 nan 0.000 0.358 585 D N 1.170 121.544 120.400 -0.043 0.000 2.470 585 D HA 0.319 4.992 4.640 0.055 0.000 0.233 585 D C -2.310 173.972 176.300 -0.030 0.000 1.372 585 D CA -1.868 52.125 54.000 -0.012 0.000 0.994 585 D CB 2.288 43.102 40.800 0.024 0.000 1.377 585 D HN 0.276 nan 8.370 nan 0.000 0.586 586 P HA -0.057 nan 4.420 nan 0.000 0.226 586 P C 1.333 178.622 177.300 -0.018 0.000 1.153 586 P CA 0.634 63.703 63.100 -0.051 0.000 0.777 586 P CB 0.232 31.913 31.700 -0.032 0.000 0.794 587 S N -0.852 114.870 115.700 0.036 0.000 2.493 587 S HA -0.102 4.402 4.470 0.055 0.000 0.243 587 S C 1.635 176.318 174.600 0.139 0.000 0.991 587 S CA 0.932 59.191 58.200 0.098 0.000 0.957 587 S CB -1.396 61.883 63.200 0.132 0.000 0.756 587 S HN 0.152 nan 8.310 nan 0.000 0.521 588 L N 1.034 122.296 121.223 0.065 0.000 2.446 588 L HA 0.222 4.595 4.340 0.055 0.000 0.219 588 L C 1.489 178.250 176.870 -0.183 0.000 1.116 588 L CA 0.119 54.987 54.840 0.046 0.000 0.844 588 L CB -0.216 41.856 42.059 0.021 0.000 0.970 588 L HN 0.334 nan 8.230 nan 0.000 0.457 589 S N -0.336 115.243 115.700 -0.202 0.000 2.586 589 S HA 0.260 4.763 4.470 0.055 0.000 0.274 589 S C 1.097 175.580 174.600 -0.194 0.000 1.281 589 S CA -0.591 57.443 58.200 -0.277 0.000 1.035 589 S CB 1.243 64.281 63.200 -0.270 0.000 0.962 589 S HN 0.172 nan 8.310 nan 0.000 0.512 590 L N 3.123 124.151 121.223 -0.325 0.000 2.156 590 L HA 0.021 4.394 4.340 0.055 0.000 0.208 590 L C 0.764 177.373 176.870 -0.436 0.000 1.095 590 L CA 1.098 55.642 54.840 -0.493 0.000 0.770 590 L CB -0.263 41.181 42.059 -1.025 0.000 0.914 590 L HN 0.767 nan 8.230 nan 0.000 0.439 591 Y N -2.644 117.651 120.300 -0.008 0.000 2.448 591 Y HA 0.344 4.928 4.550 0.056 0.000 0.257 591 Y C 2.080 177.999 175.900 0.032 0.000 1.089 591 Y CA -0.186 57.958 58.100 0.074 0.000 1.245 591 Y CB -0.434 38.109 38.460 0.138 0.000 1.282 591 Y HN -0.066 nan 8.280 nan 0.000 0.529 592 A N 0.855 123.701 122.820 0.043 0.000 1.908 592 A HA -0.073 4.280 4.320 0.055 0.000 0.218 592 A C 0.976 178.591 177.584 0.051 0.000 1.181 592 A CA 1.108 53.142 52.037 -0.005 0.000 0.627 592 A CB -0.746 18.197 19.000 -0.096 0.000 0.818 592 A HN 0.277 nan 8.150 nan 0.000 0.445 593 I N 0.990 121.596 120.570 0.061 0.000 2.297 593 I HA 0.223 4.426 4.170 0.055 0.000 0.291 593 I C -2.419 173.768 176.117 0.117 0.000 1.033 593 I CA -2.100 59.246 61.300 0.077 0.000 1.253 593 I CB 1.175 39.210 38.000 0.058 0.000 1.396 593 I HN 0.020 nan 8.210 nan 0.000 0.476 594 P HA -0.067 nan 4.420 nan 0.000 0.263 594 P C -0.173 177.201 177.300 0.124 0.000 1.175 594 P CA 0.639 63.827 63.100 0.146 0.000 0.761 594 P CB 0.611 32.380 31.700 0.116 0.000 0.794 595 D N 0.981 121.465 120.400 0.140 0.000 2.480 595 D HA 0.107 4.781 4.640 0.055 0.000 0.276 595 D C 0.596 176.958 176.300 0.103 0.000 1.294 595 D CA -0.051 54.017 54.000 0.113 0.000 0.829 595 D CB -0.038 40.833 40.800 0.119 0.000 1.242 595 D HN 0.384 nan 8.370 nan 0.000 0.513 596 G N 0.584 109.454 108.800 0.118 0.000 2.432 596 G HA2 0.342 4.335 3.960 0.055 0.000 0.239 596 G HA3 0.342 4.335 3.960 0.055 0.000 0.239 596 G C -0.457 174.481 174.900 0.064 0.000 1.291 596 G CA 0.087 45.249 45.100 0.104 0.000 0.863 596 G HN 0.133 nan 8.290 nan 0.000 0.560 597 D N 0.821 121.250 120.400 0.049 0.000 2.602 597 D HA 0.165 4.839 4.640 0.055 0.000 0.245 597 D C 0.899 177.208 176.300 0.015 0.000 1.325 597 D CA -0.574 53.440 54.000 0.024 0.000 0.952 597 D CB 1.610 42.418 40.800 0.013 0.000 1.317 597 D HN 0.312 nan 8.370 nan 0.000 0.577 598 V N 1.772 121.689 119.914 0.005 0.000 3.541 598 V HA 0.240 4.393 4.120 0.055 0.000 0.267 598 V C 1.029 177.102 176.094 -0.035 0.000 1.213 598 V CA 0.113 62.411 62.300 -0.004 0.000 1.149 598 V CB -0.768 31.049 31.823 -0.010 0.000 0.822 598 V HN 0.380 nan 8.190 nan 0.000 0.462 599 K N 1.234 121.607 120.400 -0.045 0.000 2.451 599 K HA 0.405 4.758 4.320 0.055 0.000 0.280 599 K C 1.293 177.848 176.600 -0.076 0.000 1.020 599 K CA 1.041 57.279 56.287 -0.082 0.000 1.008 599 K CB 0.197 32.656 32.500 -0.067 0.000 0.917 599 K HN 0.646 nan 8.250 nan 0.000 0.478 600 G N 3.094 111.813 108.800 -0.135 0.000 2.217 600 G HA2 -0.225 3.768 3.960 0.055 0.000 0.246 600 G HA3 -0.225 3.768 3.960 0.055 0.000 0.246 600 G C 0.125 175.054 174.900 0.047 0.000 0.990 600 G CA -0.179 44.912 45.100 -0.015 0.000 0.627 600 G HN 0.556 nan 8.290 nan 0.000 0.522 601 R N -0.152 120.349 120.500 0.003 0.000 2.822 601 R HA 0.617 4.990 4.340 0.055 0.000 0.277 601 R C 0.336 176.681 176.300 0.074 0.000 1.102 601 R CA 0.048 56.181 56.100 0.056 0.000 1.207 601 R CB 0.225 30.552 30.300 0.046 0.000 1.139 601 R HN 0.488 nan 8.270 nan 0.000 0.557 602 V N 0.238 120.217 119.914 0.109 0.000 2.808 602 V HA 0.361 4.514 4.120 0.055 0.000 0.308 602 V C -0.458 175.699 176.094 0.105 0.000 1.099 602 V CA -0.925 61.456 62.300 0.135 0.000 0.920 602 V CB 2.449 34.377 31.823 0.176 0.000 1.014 602 V HN 0.358 nan 8.190 nan 0.000 0.425 603 V N 2.724 122.694 119.914 0.094 0.000 2.555 603 V HA 0.800 4.953 4.120 0.055 0.000 0.302 603 V C 0.464 176.615 176.094 0.095 0.000 1.038 603 V CA -0.543 61.805 62.300 0.080 0.000 0.887 603 V CB 1.940 33.795 31.823 0.054 0.000 0.991 603 V HN 1.074 nan 8.190 nan 0.000 0.434 604 A N 5.985 128.870 122.820 0.108 0.000 2.363 604 A HA 0.778 5.131 4.320 0.055 0.000 0.270 604 A C -0.448 177.155 177.584 0.032 0.000 1.121 604 A CA -0.245 51.843 52.037 0.085 0.000 0.800 604 A CB 0.084 19.165 19.000 0.136 0.000 1.052 604 A HN 0.760 nan 8.150 nan 0.000 0.493 605 I N 3.239 123.821 120.570 0.019 0.000 2.382 605 I HA 0.226 4.429 4.170 0.055 0.000 0.286 605 I C -0.653 175.474 176.117 0.017 0.000 1.002 605 I CA -0.254 61.058 61.300 0.020 0.000 1.135 605 I CB 1.511 39.533 38.000 0.038 0.000 1.288 605 I HN 0.470 nan 8.210 nan 0.000 0.448 606 L N 7.165 128.387 121.223 -0.001 0.000 2.268 606 L HA 0.428 4.801 4.340 0.055 0.000 0.289 606 L C 0.071 177.037 176.870 0.159 0.000 1.064 606 L CA -0.363 54.525 54.840 0.079 0.000 0.824 606 L CB 0.275 42.248 42.059 -0.142 0.000 1.202 606 L HN 0.458 nan 8.230 nan 0.000 0.433 607 L N 3.521 124.878 121.223 0.224 0.000 2.475 607 L HA 0.315 4.688 4.340 0.055 0.000 0.253 607 L C 0.131 177.154 176.870 0.255 0.000 1.198 607 L CA -0.362 54.562 54.840 0.141 0.000 0.814 607 L CB 0.814 42.865 42.059 -0.013 0.000 1.134 607 L HN 0.707 nan 8.230 nan 0.000 0.478 608 N N -2.381 116.367 118.700 0.081 0.000 2.647 608 N HA 0.187 4.960 4.740 0.055 0.000 0.266 608 N C -0.347 175.109 175.510 -0.090 0.000 1.373 608 N CA -0.756 52.381 53.050 0.145 0.000 0.807 608 N CB 0.806 39.388 38.487 0.158 0.000 1.513 608 N HN 0.531 nan 8.380 nan 0.000 0.505 609 D N -1.277 119.116 120.400 -0.011 0.000 2.378 609 D HA -0.110 4.563 4.640 0.055 0.000 0.227 609 D C -0.390 175.869 176.300 -0.068 0.000 1.012 609 D CA 0.936 54.876 54.000 -0.101 0.000 0.905 609 D CB 0.012 40.831 40.800 0.031 0.000 0.895 609 D HN 0.745 nan 8.370 nan 0.000 0.532 610 E N 0.640 120.818 120.200 -0.036 0.000 3.626 610 E HA 0.201 4.585 4.350 0.055 0.000 0.245 610 E C -1.017 175.567 176.600 -0.026 0.000 1.236 610 E CA -0.393 55.987 56.400 -0.033 0.000 1.072 610 E CB 1.084 30.774 29.700 -0.018 0.000 1.309 610 E HN -0.125 nan 8.360 nan 0.000 0.400 611 V N 2.135 122.026 119.914 -0.039 0.000 2.694 611 V HA -0.049 4.104 4.120 0.055 0.000 0.306 611 V C 0.982 177.060 176.094 -0.027 0.000 1.054 611 V CA 0.551 62.835 62.300 -0.027 0.000 1.161 611 V CB 0.495 32.297 31.823 -0.036 0.000 0.916 611 V HN 0.507 nan 8.190 nan 0.000 0.490 612 R N 3.543 124.027 120.500 -0.026 0.000 2.488 612 R HA 0.029 4.402 4.340 0.055 0.000 0.306 612 R C 1.682 177.960 176.300 -0.037 0.000 1.271 612 R CA 0.511 56.591 56.100 -0.034 0.000 1.022 612 R CB 0.014 30.289 30.300 -0.042 0.000 1.054 612 R HN 1.023 nan 8.270 nan 0.000 0.500 613 S N 3.006 118.686 115.700 -0.032 0.000 2.392 613 S HA -0.318 4.186 4.470 0.055 0.000 0.232 613 S C 2.046 176.627 174.600 -0.031 0.000 1.041 613 S CA 1.191 59.373 58.200 -0.030 0.000 1.026 613 S CB -0.311 62.873 63.200 -0.026 0.000 0.845 613 S HN 0.687 nan 8.310 nan 0.000 0.465 614 A N 2.511 125.309 122.820 -0.036 0.000 1.908 614 A HA -0.177 4.177 4.320 0.055 0.000 0.218 614 A C 1.980 179.532 177.584 -0.054 0.000 1.181 614 A CA 1.822 53.834 52.037 -0.040 0.000 0.627 614 A CB -0.915 18.059 19.000 -0.043 0.000 0.818 614 A HN 0.506 nan 8.150 nan 0.000 0.445 615 D N -0.100 120.258 120.400 -0.071 0.000 2.084 615 D HA -0.139 4.534 4.640 0.055 0.000 0.194 615 D C 1.953 178.221 176.300 -0.053 0.000 0.990 615 D CA 0.979 54.921 54.000 -0.096 0.000 0.826 615 D CB -0.520 40.206 40.800 -0.122 0.000 0.971 615 D HN 0.368 nan 8.370 nan 0.000 0.453 616 L N 0.530 121.733 121.223 -0.032 0.000 2.079 616 L HA -0.166 4.207 4.340 0.055 0.000 0.210 616 L C 2.477 179.344 176.870 -0.005 0.000 1.081 616 L CA 0.830 55.664 54.840 -0.011 0.000 0.752 616 L CB -0.233 41.818 42.059 -0.012 0.000 0.896 616 L HN 0.097 nan 8.230 nan 0.000 0.433 617 L N -0.776 120.440 121.223 -0.012 0.000 2.046 617 L HA -0.224 4.149 4.340 0.055 0.000 0.208 617 L C 2.763 179.633 176.870 0.000 0.000 1.077 617 L CA 1.366 56.202 54.840 -0.006 0.000 0.747 617 L CB -0.566 41.486 42.059 -0.011 0.000 0.896 617 L HN 0.291 nan 8.230 nan 0.000 0.432 618 A N -0.020 122.797 122.820 -0.005 0.000 1.897 618 A HA -0.136 4.217 4.320 0.055 0.000 0.215 618 A C 2.149 179.752 177.584 0.031 0.000 1.181 618 A CA 1.179 53.220 52.037 0.007 0.000 0.620 618 A CB -0.549 18.446 19.000 -0.009 0.000 0.821 618 A HN 0.318 nan 8.150 nan 0.000 0.443 619 I N -0.112 120.480 120.570 0.037 0.000 2.127 619 I HA -0.287 3.916 4.170 0.055 0.000 0.241 619 I C 2.371 178.519 176.117 0.050 0.000 1.075 619 I CA 1.354 62.696 61.300 0.070 0.000 1.334 619 I CB -0.321 37.726 38.000 0.078 0.000 1.040 619 I HN 0.279 nan 8.210 nan 0.000 0.405 620 L N 0.312 121.556 121.223 0.034 0.000 2.093 620 L HA -0.192 4.181 4.340 0.055 0.000 0.208 620 L C 2.616 179.500 176.870 0.023 0.000 1.085 620 L CA 1.166 56.024 54.840 0.029 0.000 0.755 620 L CB -0.619 41.455 42.059 0.024 0.000 0.904 620 L HN 0.268 nan 8.230 nan 0.000 0.435 621 K N 0.772 121.184 120.400 0.020 0.000 2.057 621 K HA -0.181 4.172 4.320 0.055 0.000 0.207 621 K C 2.080 178.690 176.600 0.015 0.000 1.049 621 K CA 1.483 57.779 56.287 0.015 0.000 0.931 621 K CB -0.004 32.504 32.500 0.013 0.000 0.714 621 K HN 0.259 nan 8.250 nan 0.000 0.440 622 A N 1.227 124.062 122.820 0.024 0.000 1.930 622 A HA -0.014 4.339 4.320 0.055 0.000 0.215 622 A C 2.115 179.705 177.584 0.009 0.000 1.176 622 A CA 0.733 52.783 52.037 0.022 0.000 0.632 622 A CB -0.369 18.655 19.000 0.039 0.000 0.819 622 A HN 0.274 nan 8.150 nan 0.000 0.445 623 L N -0.592 120.638 121.223 0.011 0.000 1.994 623 L HA -0.201 4.172 4.340 0.055 0.000 0.208 623 L C 2.603 179.456 176.870 -0.027 0.000 1.071 623 L CA 1.988 56.824 54.840 -0.007 0.000 0.745 623 L CB -0.515 41.547 42.059 0.006 0.000 0.892 623 L HN 0.424 nan 8.230 nan 0.000 0.431 624 K N 0.443 120.836 120.400 -0.011 0.000 2.074 624 K HA -0.230 4.123 4.320 0.055 0.000 0.209 624 K C 2.083 178.670 176.600 -0.023 0.000 1.048 624 K CA 1.576 57.855 56.287 -0.015 0.000 0.926 624 K CB -0.155 32.348 32.500 0.004 0.000 0.713 624 K HN 0.294 nan 8.250 nan 0.000 0.444 625 A N 0.785 123.597 122.820 -0.014 0.000 2.019 625 A HA -0.123 4.230 4.320 0.055 0.000 0.219 625 A C 1.506 179.076 177.584 -0.024 0.000 1.164 625 A CA 1.421 53.450 52.037 -0.014 0.000 0.644 625 A CB -0.126 18.872 19.000 -0.005 0.000 0.805 625 A HN 0.181 nan 8.150 nan 0.000 0.449 626 K N -1.414 118.965 120.400 -0.035 0.000 2.373 626 K HA 0.223 4.576 4.320 0.055 0.000 0.202 626 K C 0.870 177.423 176.600 -0.079 0.000 1.025 626 K CA 0.582 56.842 56.287 -0.045 0.000 1.115 626 K CB 0.175 32.653 32.500 -0.037 0.000 0.858 626 K HN 0.679 nan 8.250 nan 0.000 0.525 627 G N 1.647 110.386 108.800 -0.102 0.000 2.176 627 G HA2 -0.235 3.759 3.960 0.055 0.000 0.252 627 G HA3 -0.235 3.759 3.960 0.055 0.000 0.252 627 G C 0.107 174.804 174.900 -0.339 0.000 1.024 627 G CA 0.221 45.214 45.100 -0.178 0.000 0.755 627 G HN 0.124 nan 8.290 nan 0.000 0.507 628 V N 0.532 120.292 119.914 -0.258 0.000 2.509 628 V HA 0.515 4.668 4.120 0.055 0.000 0.284 628 V C 0.728 176.644 176.094 -0.296 0.000 1.047 628 V CA -0.733 61.403 62.300 -0.273 0.000 0.952 628 V CB 1.221 32.978 31.823 -0.109 0.000 0.988 628 V HN 0.451 nan 8.190 nan 0.000 0.469 629 H N 1.635 120.717 119.070 0.020 0.000 2.488 629 H HA 0.774 5.363 4.556 0.055 0.000 0.347 629 H C 0.170 175.518 175.328 0.034 0.000 1.174 629 H CA 0.026 56.089 56.048 0.024 0.000 1.307 629 H CB 1.352 31.129 29.762 0.026 0.000 1.517 629 H HN 0.855 nan 8.280 nan 0.000 0.554 630 A N 1.281 124.204 122.820 0.172 0.000 2.413 630 A HA 0.574 4.927 4.320 0.055 0.000 0.307 630 A C -1.088 176.555 177.584 0.098 0.000 1.087 630 A CA -1.032 51.072 52.037 0.112 0.000 0.750 630 A CB 1.220 20.266 19.000 0.077 0.000 1.296 630 A HN 0.796 nan 8.150 nan 0.000 0.423 631 K N 1.740 122.191 120.400 0.085 0.000 2.426 631 K HA 0.690 5.043 4.320 0.055 0.000 0.254 631 K C -1.672 174.958 176.600 0.050 0.000 0.936 631 K CA -0.516 55.812 56.287 0.068 0.000 0.801 631 K CB 1.560 34.108 32.500 0.081 0.000 1.139 631 K HN 0.500 nan 8.250 nan 0.000 0.424 632 L N 4.259 125.502 121.223 0.034 0.000 2.260 632 L HA 0.330 4.703 4.340 0.055 0.000 0.289 632 L C -0.836 176.043 176.870 0.015 0.000 1.057 632 L CA -1.120 53.733 54.840 0.023 0.000 0.811 632 L CB 0.610 42.673 42.059 0.007 0.000 1.184 632 L HN 0.488 nan 8.230 nan 0.000 0.429 633 L N 4.320 125.558 121.223 0.025 0.000 2.334 633 L HA 0.600 4.973 4.340 0.055 0.000 0.273 633 L C -0.475 176.354 176.870 -0.069 0.000 1.013 633 L CA -0.389 54.435 54.840 -0.027 0.000 0.816 633 L CB 1.547 43.612 42.059 0.010 0.000 1.278 633 L HN 0.325 nan 8.230 nan 0.000 0.431 634 Y N -0.642 119.274 120.300 -0.640 0.000 2.896 634 Y HA 0.342 4.926 4.550 0.055 0.000 0.317 634 Y C 0.842 176.006 175.900 -1.226 0.000 1.444 634 Y CA -0.629 56.992 58.100 -0.799 0.000 1.084 634 Y CB 1.468 39.749 38.460 -0.298 0.000 1.382 634 Y HN 0.543 nan 8.280 nan 0.000 0.471 635 S N 0.478 115.261 115.700 -1.528 0.000 2.575 635 S HA 0.302 4.805 4.470 0.055 0.000 0.215 635 S C 0.012 174.301 174.600 -0.518 0.000 0.966 635 S CA 0.076 57.730 58.200 -0.911 0.000 0.911 635 S CB -0.042 62.782 63.200 -0.626 0.000 0.780 635 S HN 0.605 nan 8.310 nan 0.000 0.514 636 R N -1.028 119.223 120.500 -0.415 0.000 2.795 636 R HA 0.639 5.013 4.340 0.055 0.000 0.268 636 R C -0.734 175.544 176.300 -0.036 0.000 1.041 636 R CA -1.115 54.898 56.100 -0.145 0.000 0.927 636 R CB 0.494 30.754 30.300 -0.067 0.000 1.235 636 R HN -0.083 nan 8.270 nan 0.000 0.463 637 M N 0.053 119.643 119.600 -0.016 0.000 2.012 637 M HA 0.458 4.972 4.480 0.055 0.000 0.248 637 M C 1.042 177.361 176.300 0.031 0.000 1.238 637 M CA 1.005 56.308 55.300 0.005 0.000 0.980 637 M CB 0.393 32.988 32.600 -0.008 0.000 1.346 637 M HN 1.057 nan 8.290 nan 0.000 0.511 638 G N 0.696 109.506 108.800 0.017 0.000 2.709 638 G HA2 -0.127 3.866 3.960 0.055 0.000 0.228 638 G HA3 -0.127 3.866 3.960 0.055 0.000 0.228 638 G C -0.767 174.131 174.900 -0.003 0.000 1.215 638 G CA 0.103 45.210 45.100 0.011 0.000 1.003 638 G HN 0.949 nan 8.290 nan 0.000 0.584 639 E N -1.103 119.088 120.200 -0.016 0.000 2.433 639 E HA 0.684 5.067 4.350 0.055 0.000 0.278 639 E C -0.437 176.100 176.600 -0.105 0.000 0.976 639 E CA -0.614 55.753 56.400 -0.055 0.000 0.793 639 E CB 2.468 32.143 29.700 -0.042 0.000 1.311 639 E HN 1.658 nan 8.360 nan 0.000 0.460 640 V N -1.949 117.861 119.914 -0.173 0.000 3.155 640 V HA 0.773 4.926 4.120 0.055 0.000 0.313 640 V C -0.513 175.499 176.094 -0.137 0.000 1.162 640 V CA -0.683 61.487 62.300 -0.216 0.000 1.048 640 V CB 1.749 33.309 31.823 -0.440 0.000 1.092 640 V HN 0.768 nan 8.190 nan 0.000 0.447 641 T N 1.753 116.239 114.554 -0.113 0.000 2.812 641 T HA 0.795 5.178 4.350 0.055 0.000 0.282 641 T C 0.141 174.800 174.700 -0.068 0.000 0.990 641 T CA 0.238 62.293 62.100 -0.074 0.000 0.960 641 T CB 1.345 70.182 68.868 -0.051 0.000 0.948 641 T HN 1.339 nan 8.240 nan 0.000 0.438 642 A N 2.116 124.902 122.820 -0.056 0.000 2.296 642 A HA 0.391 4.744 4.320 0.055 0.000 0.264 642 A C 1.481 179.044 177.584 -0.035 0.000 1.097 642 A CA -0.345 51.664 52.037 -0.047 0.000 0.811 642 A CB 0.061 19.037 19.000 -0.040 0.000 1.072 642 A HN 0.912 nan 8.150 nan 0.000 0.495 643 D N -0.055 120.327 120.400 -0.030 0.000 2.221 643 D HA -0.188 4.485 4.640 0.055 0.000 0.204 643 D C 0.548 176.835 176.300 -0.022 0.000 0.982 643 D CA 1.573 55.558 54.000 -0.025 0.000 0.857 643 D CB -0.292 40.495 40.800 -0.023 0.000 0.934 643 D HN 0.593 nan 8.370 nan 0.000 0.475 644 D N -1.393 118.993 120.400 -0.023 0.000 2.358 644 D HA 0.218 4.891 4.640 0.055 0.000 0.224 644 D C 1.599 177.887 176.300 -0.019 0.000 1.123 644 D CA 0.189 54.177 54.000 -0.020 0.000 0.833 644 D CB -0.203 40.586 40.800 -0.019 0.000 0.946 644 D HN 0.336 nan 8.370 nan 0.000 0.505 645 G N 0.050 108.837 108.800 -0.022 0.000 2.184 645 G HA2 -0.292 3.701 3.960 0.055 0.000 0.264 645 G HA3 -0.292 3.701 3.960 0.055 0.000 0.264 645 G C 0.428 175.314 174.900 -0.023 0.000 0.975 645 G CA 0.444 45.531 45.100 -0.022 0.000 0.642 645 G HN 0.456 nan 8.290 nan 0.000 0.536 646 T N 1.065 115.604 114.554 -0.025 0.000 2.853 646 T HA 0.408 4.791 4.350 0.055 0.000 0.298 646 T C 0.651 175.331 174.700 -0.032 0.000 0.978 646 T CA 0.010 62.095 62.100 -0.025 0.000 1.152 646 T CB 2.159 71.013 68.868 -0.023 0.000 0.914 646 T HN 0.384 nan 8.240 nan 0.000 0.539 647 V N 5.679 125.575 119.914 -0.030 0.000 2.461 647 V HA 0.319 4.472 4.120 0.055 0.000 0.275 647 V C 0.166 176.238 176.094 -0.038 0.000 1.047 647 V CA -0.538 61.740 62.300 -0.036 0.000 0.955 647 V CB 0.748 32.554 31.823 -0.028 0.000 0.988 647 V HN 0.665 nan 8.190 nan 0.000 0.471 648 L N 8.054 129.244 121.223 -0.054 0.000 2.298 648 L HA 0.504 4.877 4.340 0.055 0.000 0.284 648 L C -2.475 174.361 176.870 -0.056 0.000 1.013 648 L CA -1.808 53.000 54.840 -0.054 0.000 0.824 648 L CB 1.910 43.927 42.059 -0.070 0.000 1.221 648 L HN 0.418 nan 8.230 nan 0.000 0.418 649 P HA 0.326 nan 4.420 nan 0.000 0.284 649 P C -0.593 176.692 177.300 -0.024 0.000 1.253 649 P CA -0.217 62.868 63.100 -0.026 0.000 0.800 649 P CB 1.265 32.958 31.700 -0.013 0.000 0.961 650 I N 2.000 122.558 120.570 -0.020 0.000 2.331 650 I HA 0.269 4.472 4.170 0.055 0.000 0.292 650 I C 1.500 177.614 176.117 -0.004 0.000 0.998 650 I CA -0.352 60.941 61.300 -0.011 0.000 1.267 650 I CB 1.431 39.435 38.000 0.008 0.000 1.386 650 I HN 0.361 nan 8.210 nan 0.000 0.476 651 A N 5.170 127.989 122.820 -0.000 0.000 1.903 651 A HA 0.617 4.970 4.320 0.055 0.000 0.213 651 A C 0.976 178.562 177.584 0.004 0.000 1.185 651 A CA 1.175 53.216 52.037 0.007 0.000 0.628 651 A CB 0.044 19.056 19.000 0.020 0.000 0.830 651 A HN 0.796 nan 8.150 nan 0.000 0.446 652 A N -1.918 120.897 122.820 -0.009 0.000 2.586 652 A HA 0.579 4.932 4.320 0.055 0.000 0.290 652 A C -0.019 177.517 177.584 -0.081 0.000 1.086 652 A CA 0.096 52.123 52.037 -0.017 0.000 0.665 652 A CB -0.191 18.824 19.000 0.025 0.000 1.279 652 A HN 0.758 nan 8.150 nan 0.000 0.423 653 T N -1.522 112.975 114.554 -0.096 0.000 2.816 653 T HA 0.525 4.909 4.350 0.055 0.000 0.282 653 T C 0.987 175.619 174.700 -0.114 0.000 0.993 653 T CA 0.103 62.069 62.100 -0.224 0.000 0.994 653 T CB 0.011 68.788 68.868 -0.151 0.000 1.025 653 T HN 0.471 nan 8.240 nan 0.000 0.529 654 F N 0.562 120.521 119.950 0.015 0.000 2.120 654 F HA -0.068 4.492 4.527 0.055 0.000 0.300 654 F C 2.947 178.876 175.800 0.215 0.000 1.095 654 F CA 1.022 59.082 58.000 0.101 0.000 1.249 654 F CB -0.642 38.397 39.000 0.065 0.000 0.995 654 F HN 0.705 nan 8.300 nan 0.000 0.480 655 A N 0.185 123.170 122.820 0.274 0.000 1.970 655 A HA 0.067 4.421 4.320 0.055 0.000 0.216 655 A C 2.403 180.060 177.584 0.121 0.000 1.170 655 A CA 1.345 53.488 52.037 0.177 0.000 0.645 655 A CB -1.319 17.741 19.000 0.099 0.000 0.816 655 A HN 0.386 nan 8.150 nan 0.000 0.447 656 G N -0.988 107.867 108.800 0.092 0.000 2.464 656 G HA2 0.308 4.301 3.960 0.055 0.000 0.217 656 G HA3 0.308 4.301 3.960 0.055 0.000 0.217 656 G C 0.629 175.580 174.900 0.085 0.000 1.138 656 G CA 0.918 46.054 45.100 0.061 0.000 0.793 656 G HN 1.023 nan 8.290 nan 0.000 0.539 657 A N 0.707 123.615 122.820 0.147 0.000 3.030 657 A HA 0.709 5.062 4.320 0.055 0.000 0.335 657 A C -2.746 175.008 177.584 0.283 0.000 1.089 657 A CA -1.113 51.030 52.037 0.175 0.000 0.807 657 A CB 1.268 20.363 19.000 0.158 0.000 1.099 657 A HN 0.075 nan 8.150 nan 0.000 0.474 658 P HA 0.053 nan 4.420 nan 0.000 0.271 658 P C 1.373 178.523 177.300 -0.251 0.000 1.233 658 P CA 0.276 63.345 63.100 -0.052 0.000 0.789 658 P CB 0.824 32.474 31.700 -0.083 0.000 0.951 659 S N 1.080 116.252 115.700 -0.880 0.000 2.465 659 S HA -0.163 4.340 4.470 0.055 0.000 0.241 659 S C 1.722 176.181 174.600 -0.235 0.000 1.000 659 S CA 1.112 58.953 58.200 -0.598 0.000 0.964 659 S CB -1.331 61.432 63.200 -0.728 0.000 0.763 659 S HN 0.327 nan 8.310 nan 0.000 0.512 660 L N 1.755 122.841 121.223 -0.229 0.000 2.129 660 L HA -0.104 4.269 4.340 0.055 0.000 0.212 660 L C 2.866 179.569 176.870 -0.278 0.000 1.087 660 L CA 1.679 56.375 54.840 -0.239 0.000 0.757 660 L CB -1.358 40.537 42.059 -0.272 0.000 0.896 660 L HN 0.641 nan 8.230 nan 0.000 0.434 661 T N -3.340 111.127 114.554 -0.145 0.000 3.107 661 T HA 0.242 4.625 4.350 0.055 0.000 0.249 661 T C 0.312 175.102 174.700 0.150 0.000 1.096 661 T CA 0.061 62.160 62.100 -0.003 0.000 1.012 661 T CB -0.376 68.578 68.868 0.143 0.000 0.977 661 T HN 0.147 nan 8.240 nan 0.000 0.527 662 V N -2.718 117.244 119.914 0.081 0.000 3.113 662 V HA 0.575 4.728 4.120 0.055 0.000 0.316 662 V C -0.160 175.979 176.094 0.075 0.000 1.125 662 V CA -0.979 61.395 62.300 0.123 0.000 1.026 662 V CB 2.161 34.074 31.823 0.150 0.000 1.080 662 V HN -0.002 nan 8.190 nan 0.000 0.444 663 D N 0.985 121.432 120.400 0.078 0.000 2.366 663 D HA 0.490 5.163 4.640 0.055 0.000 0.205 663 D C 0.552 176.840 176.300 -0.021 0.000 1.022 663 D CA 1.475 55.497 54.000 0.037 0.000 0.868 663 D CB 1.494 42.337 40.800 0.073 0.000 0.953 663 D HN 0.993 nan 8.370 nan 0.000 0.514 664 A N 0.115 122.937 122.820 0.005 0.000 2.586 664 A HA 0.513 4.867 4.320 0.055 0.000 0.291 664 A C -1.630 175.973 177.584 0.032 0.000 1.062 664 A CA -0.555 51.472 52.037 -0.016 0.000 0.666 664 A CB 1.471 20.449 19.000 -0.037 0.000 1.281 664 A HN -0.105 nan 8.150 nan 0.000 0.421 665 V N 1.413 121.341 119.914 0.022 0.000 2.531 665 V HA 0.534 4.688 4.120 0.055 0.000 0.301 665 V C -0.650 175.455 176.094 0.019 0.000 1.034 665 V CA -0.190 62.137 62.300 0.046 0.000 0.865 665 V CB 1.459 33.327 31.823 0.074 0.000 0.995 665 V HN 0.693 nan 8.190 nan 0.000 0.424 666 I N 4.461 125.052 120.570 0.035 0.000 2.441 666 I HA 0.586 4.789 4.170 0.055 0.000 0.295 666 I C -0.734 175.416 176.117 0.055 0.000 0.994 666 I CA -0.961 60.386 61.300 0.078 0.000 1.144 666 I CB 2.150 40.225 38.000 0.126 0.000 1.314 666 I HN 0.271 nan 8.210 nan 0.000 0.445 667 V N 7.382 127.347 119.914 0.084 0.000 2.376 667 V HA 0.367 4.520 4.120 0.055 0.000 0.287 667 V C -2.118 174.035 176.094 0.099 0.000 1.015 667 V CA -1.501 60.838 62.300 0.064 0.000 0.834 667 V CB 1.346 33.196 31.823 0.046 0.000 1.001 667 V HN 0.582 nan 8.190 nan 0.000 0.428 668 P HA 0.432 nan 4.420 nan 0.000 0.277 668 P C -0.276 177.040 177.300 0.026 0.000 1.271 668 P CA -0.273 62.839 63.100 0.020 0.000 0.795 668 P CB 1.218 32.920 31.700 0.003 0.000 1.101 669 A N -0.326 122.483 122.820 -0.018 0.000 2.280 669 A HA 0.689 5.042 4.320 0.055 0.000 0.268 669 A C 0.710 178.292 177.584 -0.003 0.000 1.111 669 A CA 0.565 52.596 52.037 -0.010 0.000 0.814 669 A CB -0.677 18.299 19.000 -0.040 0.000 1.093 669 A HN 0.859 nan 8.150 nan 0.000 0.498 670 G N -0.438 108.362 108.800 -0.001 0.000 2.347 670 G HA2 0.110 4.103 3.960 0.055 0.000 0.224 670 G HA3 0.110 4.103 3.960 0.055 0.000 0.224 670 G C -0.666 174.238 174.900 0.006 0.000 1.318 670 G CA -0.126 44.973 45.100 -0.001 0.000 1.016 670 G HN 1.041 nan 8.290 nan 0.000 0.469 671 N N 1.758 120.467 118.700 0.014 0.000 2.605 671 N HA 0.166 4.940 4.740 0.055 0.000 0.282 671 N C 1.664 177.200 175.510 0.042 0.000 1.206 671 N CA -0.353 52.710 53.050 0.021 0.000 1.074 671 N CB -0.195 38.308 38.487 0.026 0.000 1.434 671 N HN 0.387 nan 8.380 nan 0.000 0.506 672 I N 1.306 121.888 120.570 0.019 0.000 2.493 672 I HA -0.165 4.038 4.170 0.055 0.000 0.254 672 I C 1.967 178.079 176.117 -0.007 0.000 1.160 672 I CA 0.572 61.880 61.300 0.013 0.000 1.445 672 I CB -1.429 36.536 38.000 -0.059 0.000 1.086 672 I HN 0.487 nan 8.210 nan 0.000 0.433 673 A N 0.506 123.318 122.820 -0.012 0.000 2.070 673 A HA -0.259 4.094 4.320 0.055 0.000 0.220 673 A C 2.048 179.654 177.584 0.037 0.000 1.159 673 A CA 1.899 53.930 52.037 -0.010 0.000 0.656 673 A CB -0.650 18.344 19.000 -0.009 0.000 0.800 673 A HN 0.409 nan 8.150 nan 0.000 0.453 674 D N 0.105 120.553 120.400 0.079 0.000 2.219 674 D HA -0.111 4.562 4.640 0.055 0.000 0.205 674 D C 1.465 177.858 176.300 0.155 0.000 0.970 674 D CA 1.630 55.706 54.000 0.127 0.000 0.851 674 D CB -0.133 40.774 40.800 0.178 0.000 0.943 674 D HN 0.655 nan 8.370 nan 0.000 0.488 675 I N -4.532 116.141 120.570 0.172 0.000 4.526 675 I HA 0.479 4.682 4.170 0.055 0.000 0.330 675 I C 1.813 178.071 176.117 0.234 0.000 1.323 675 I CA -0.143 61.295 61.300 0.230 0.000 1.218 675 I CB 0.100 38.290 38.000 0.317 0.000 1.233 675 I HN -0.110 nan 8.210 nan 0.000 0.430 676 A N 1.286 124.176 122.820 0.115 0.000 2.070 676 A HA -0.104 4.249 4.320 0.055 0.000 0.220 676 A C 1.374 178.981 177.584 0.038 0.000 1.159 676 A CA 1.859 53.871 52.037 -0.041 0.000 0.656 676 A CB -0.408 18.467 19.000 -0.208 0.000 0.800 676 A HN 0.498 nan 8.150 nan 0.000 0.453 677 D N -0.903 119.532 120.400 0.057 0.000 2.479 677 D HA 0.053 4.726 4.640 0.055 0.000 0.218 677 D C -0.195 176.145 176.300 0.067 0.000 1.177 677 D CA -0.221 53.808 54.000 0.049 0.000 0.830 677 D CB -0.157 40.657 40.800 0.023 0.000 1.014 677 D HN 0.265 nan 8.370 nan 0.000 0.503 678 N N 1.112 119.869 118.700 0.095 0.000 2.420 678 N HA 0.044 4.817 4.740 0.055 0.000 0.262 678 N C 1.405 176.957 175.510 0.070 0.000 1.144 678 N CA 0.091 53.194 53.050 0.087 0.000 0.952 678 N CB 1.460 40.018 38.487 0.119 0.000 1.081 678 N HN 0.038 nan 8.380 nan 0.000 0.480 679 G N 3.325 112.163 108.800 0.064 0.000 2.446 679 G HA2 -0.271 3.723 3.960 0.055 0.000 0.217 679 G HA3 -0.271 3.723 3.960 0.055 0.000 0.217 679 G C 0.963 175.912 174.900 0.083 0.000 1.168 679 G CA 0.589 45.727 45.100 0.062 0.000 0.771 679 G HN 0.591 nan 8.290 nan 0.000 0.551 680 D N 0.761 121.217 120.400 0.094 0.000 2.178 680 D HA 0.006 4.680 4.640 0.055 0.000 0.201 680 D C 2.732 179.027 176.300 -0.008 0.000 0.980 680 D CA 1.173 55.260 54.000 0.145 0.000 0.842 680 D CB -0.297 40.662 40.800 0.264 0.000 0.948 680 D HN 0.334 nan 8.370 nan 0.000 0.472 681 A N 0.758 123.427 122.820 -0.251 0.000 1.874 681 A HA -0.115 4.238 4.320 0.055 0.000 0.214 681 A C 2.019 179.372 177.584 -0.385 0.000 1.189 681 A CA 0.866 52.499 52.037 -0.673 0.000 0.615 681 A CB -0.348 18.248 19.000 -0.673 0.000 0.830 681 A HN 0.111 nan 8.150 nan 0.000 0.443 682 N N -1.156 117.464 118.700 -0.134 0.000 2.069 682 N HA -0.210 4.563 4.740 0.055 0.000 0.191 682 N C 1.698 177.178 175.510 -0.049 0.000 1.031 682 N CA 1.907 54.925 53.050 -0.053 0.000 0.852 682 N CB -0.517 38.024 38.487 0.090 0.000 1.018 682 N HN 0.667 nan 8.380 nan 0.000 0.423 683 Y N 0.573 120.826 120.300 -0.078 0.000 2.274 683 Y HA -0.277 4.306 4.550 0.055 0.000 0.290 683 Y C 2.414 178.259 175.900 -0.092 0.000 1.145 683 Y CA 1.229 59.285 58.100 -0.072 0.000 1.203 683 Y CB -0.341 38.088 38.460 -0.051 0.000 0.984 683 Y HN 0.040 nan 8.280 nan 0.000 0.533 684 Y N 0.396 120.561 120.300 -0.224 0.000 2.114 684 Y HA -0.336 4.247 4.550 0.056 0.000 0.282 684 Y C 2.084 177.780 175.900 -0.340 0.000 1.165 684 Y CA 2.244 60.181 58.100 -0.271 0.000 1.148 684 Y CB -0.526 37.768 38.460 -0.276 0.000 0.972 684 Y HN 0.117 nan 8.280 nan 0.000 0.504 685 L N -1.136 119.998 121.223 -0.148 0.000 2.109 685 L HA -0.243 4.130 4.340 0.055 0.000 0.207 685 L C 2.417 179.159 176.870 -0.214 0.000 1.086 685 L CA 1.269 56.004 54.840 -0.175 0.000 0.760 685 L CB -0.535 41.375 42.059 -0.248 0.000 0.910 685 L HN 0.285 nan 8.230 nan 0.000 0.437 686 M N -0.462 118.958 119.600 -0.301 0.000 2.117 686 M HA -0.239 4.274 4.480 0.055 0.000 0.262 686 M C 2.274 178.309 176.300 -0.441 0.000 1.065 686 M CA 1.802 56.915 55.300 -0.312 0.000 1.114 686 M CB -0.440 31.975 32.600 -0.307 0.000 1.361 686 M HN 0.227 nan 8.290 nan 0.000 0.408 687 E N 0.598 120.342 120.200 -0.759 0.000 2.072 687 E HA -0.176 4.207 4.350 0.055 0.000 0.191 687 E C 2.009 178.255 176.600 -0.589 0.000 0.985 687 E CA 1.261 57.190 56.400 -0.785 0.000 0.801 687 E CB 0.023 29.213 29.700 -0.849 0.000 0.750 687 E HN 0.469 nan 8.360 nan 0.000 0.452 688 A N 0.289 122.875 122.820 -0.389 0.000 1.902 688 A HA -0.204 4.150 4.320 0.055 0.000 0.217 688 A C 2.028 179.504 177.584 -0.179 0.000 1.181 688 A CA 1.448 53.348 52.037 -0.229 0.000 0.623 688 A CB -0.902 18.020 19.000 -0.130 0.000 0.818 688 A HN 0.550 nan 8.150 nan 0.000 0.443 689 Y N 0.563 120.699 120.300 -0.274 0.000 2.114 689 Y HA -0.223 4.360 4.550 0.056 0.000 0.284 689 Y C 2.424 178.190 175.900 -0.224 0.000 1.143 689 Y CA 2.397 60.365 58.100 -0.220 0.000 1.135 689 Y CB -0.302 38.044 38.460 -0.189 0.000 0.980 689 Y HN 0.314 nan 8.280 nan 0.000 0.499 690 K N -0.559 119.706 120.400 -0.226 0.000 2.113 690 K HA -0.249 4.104 4.320 0.055 0.000 0.208 690 K C 1.076 177.517 176.600 -0.265 0.000 1.047 690 K CA 2.164 58.278 56.287 -0.289 0.000 0.928 690 K CB -0.478 31.806 32.500 -0.359 0.000 0.716 690 K HN 0.602 nan 8.250 nan 0.000 0.446 691 H N 0.355 119.297 119.070 -0.213 0.000 2.555 691 H HA 0.182 4.772 4.556 0.056 0.000 0.283 691 H C 0.008 175.167 175.328 -0.280 0.000 1.037 691 H CA 0.208 56.128 56.048 -0.215 0.000 1.169 691 H CB 0.047 29.684 29.762 -0.209 0.000 1.375 691 H HN 0.136 nan 8.280 nan 0.000 0.582 692 L N -0.309 120.755 121.223 -0.265 0.000 4.351 692 L HA -0.279 4.094 4.340 0.055 0.000 0.410 692 L C -0.286 176.321 176.870 -0.437 0.000 1.150 692 L CA 0.574 55.171 54.840 -0.406 0.000 0.961 692 L CB -1.724 40.084 42.059 -0.417 0.000 2.130 692 L HN 0.330 nan 8.230 nan 0.000 0.787 693 K N 0.920 121.130 120.400 -0.317 0.000 2.144 693 K HA 0.458 4.812 4.320 0.055 0.000 0.270 693 K C -2.144 174.320 176.600 -0.226 0.000 1.005 693 K CA -1.772 54.350 56.287 -0.275 0.000 0.932 693 K CB 0.553 32.945 32.500 -0.180 0.000 1.021 693 K HN -0.203 nan 8.250 nan 0.000 0.462 694 P HA 0.076 nan 4.420 nan 0.000 0.268 694 P C -0.790 176.447 177.300 -0.105 0.000 1.204 694 P CA 0.323 63.326 63.100 -0.162 0.000 0.768 694 P CB 0.405 32.007 31.700 -0.164 0.000 0.842 695 I N 2.009 122.531 120.570 -0.079 0.000 2.545 695 I HA 0.636 4.839 4.170 0.055 0.000 0.292 695 I C -0.261 175.816 176.117 -0.067 0.000 1.040 695 I CA -0.762 60.511 61.300 -0.045 0.000 1.068 695 I CB 2.185 40.183 38.000 -0.003 0.000 1.251 695 I HN 0.258 nan 8.210 nan 0.000 0.424 696 A N 7.433 130.227 122.820 -0.045 0.000 2.356 696 A HA 0.908 5.261 4.320 0.055 0.000 0.310 696 A C -1.168 176.531 177.584 0.192 0.000 1.075 696 A CA -0.441 51.560 52.037 -0.060 0.000 0.746 696 A CB 1.005 19.827 19.000 -0.296 0.000 1.221 696 A HN 0.653 nan 8.150 nan 0.000 0.443 697 L N 2.076 123.477 121.223 0.296 0.000 2.376 697 L HA 0.738 5.111 4.340 0.055 0.000 0.275 697 L C 0.198 177.256 176.870 0.314 0.000 0.987 697 L CA -0.544 54.462 54.840 0.276 0.000 0.828 697 L CB 1.983 44.150 42.059 0.181 0.000 1.249 697 L HN 0.795 nan 8.230 nan 0.000 0.409 698 A N 2.031 124.935 122.820 0.140 0.000 2.340 698 A HA 0.873 5.226 4.320 0.055 0.000 0.331 698 A C 0.711 178.273 177.584 -0.037 0.000 1.140 698 A CA 0.248 52.236 52.037 -0.082 0.000 0.801 698 A CB 1.265 20.050 19.000 -0.358 0.000 1.234 698 A HN 0.970 nan 8.150 nan 0.000 0.469 699 G N 1.459 110.225 108.800 -0.057 0.000 2.698 699 G HA2 -0.380 3.614 3.960 0.055 0.000 0.337 699 G HA3 -0.380 3.614 3.960 0.055 0.000 0.337 699 G C 0.582 175.474 174.900 -0.013 0.000 1.286 699 G CA 1.202 46.280 45.100 -0.036 0.000 1.000 699 G HN 0.757 nan 8.290 nan 0.000 0.547 700 D N 1.519 121.907 120.400 -0.020 0.000 2.378 700 D HA 0.349 5.022 4.640 0.055 0.000 0.227 700 D C 2.473 178.754 176.300 -0.031 0.000 1.012 700 D CA 1.360 55.340 54.000 -0.034 0.000 0.905 700 D CB -0.530 40.244 40.800 -0.043 0.000 0.895 700 D HN 0.692 nan 8.370 nan 0.000 0.532 701 A N 0.194 123.037 122.820 0.039 0.000 2.067 701 A HA -0.136 4.217 4.320 0.055 0.000 0.219 701 A C 2.058 179.731 177.584 0.148 0.000 1.158 701 A CA 0.673 52.801 52.037 0.153 0.000 0.661 701 A CB -0.255 18.873 19.000 0.214 0.000 0.801 701 A HN 0.127 nan 8.150 nan 0.000 0.452 702 R N -0.411 120.131 120.500 0.071 0.000 2.211 702 R HA -0.150 4.224 4.340 0.055 0.000 0.240 702 R C 1.625 177.919 176.300 -0.010 0.000 1.144 702 R CA 1.371 57.500 56.100 0.049 0.000 0.992 702 R CB -0.190 30.128 30.300 0.031 0.000 0.869 702 R HN 0.273 nan 8.270 nan 0.000 0.462 703 K N -0.059 120.282 120.400 -0.099 0.000 2.218 703 K HA -0.138 4.215 4.320 0.055 0.000 0.205 703 K C 1.344 177.816 176.600 -0.214 0.000 1.046 703 K CA 1.408 57.577 56.287 -0.197 0.000 0.933 703 K CB -0.278 32.033 32.500 -0.314 0.000 0.728 703 K HN 0.209 nan 8.250 nan 0.000 0.454 704 F N 0.807 120.732 119.950 -0.041 0.000 2.407 704 F HA -0.084 4.477 4.527 0.056 0.000 0.299 704 F C 1.770 177.521 175.800 -0.081 0.000 1.097 704 F CA 0.592 58.556 58.000 -0.060 0.000 1.422 704 F CB -0.061 38.903 39.000 -0.060 0.000 1.067 704 F HN -0.049 nan 8.300 nan 0.000 0.539 705 K N 0.503 120.953 120.400 0.084 0.000 2.189 705 K HA -0.277 4.076 4.320 0.055 0.000 0.207 705 K C 2.268 178.845 176.600 -0.039 0.000 1.046 705 K CA 1.284 57.569 56.287 -0.004 0.000 0.928 705 K CB -0.460 32.034 32.500 -0.010 0.000 0.720 705 K HN 0.295 nan 8.250 nan 0.000 0.458 706 A N 0.717 123.523 122.820 -0.022 0.000 1.940 706 A HA -0.163 4.190 4.320 0.055 0.000 0.219 706 A C 2.115 179.677 177.584 -0.035 0.000 1.176 706 A CA 2.083 54.099 52.037 -0.035 0.000 0.631 706 A CB -0.732 18.244 19.000 -0.040 0.000 0.814 706 A HN 0.314 nan 8.150 nan 0.000 0.446 707 T N 0.288 114.838 114.554 -0.007 0.000 2.985 707 T HA 0.053 4.436 4.350 0.055 0.000 0.266 707 T C 1.447 176.084 174.700 -0.104 0.000 1.076 707 T CA 1.236 63.327 62.100 -0.014 0.000 1.135 707 T CB -0.341 68.561 68.868 0.057 0.000 0.890 707 T HN 0.732 nan 8.240 nan 0.000 0.480 708 I N -2.453 117.997 120.570 -0.200 0.000 3.941 708 I HA 0.408 4.611 4.170 0.055 0.000 0.335 708 I C -0.532 175.339 176.117 -0.410 0.000 1.402 708 I CA -0.549 60.493 61.300 -0.431 0.000 1.112 708 I CB 0.052 37.587 38.000 -0.775 0.000 1.043 708 I HN -0.170 nan 8.210 nan 0.000 0.395 709 K N 2.154 122.430 120.400 -0.205 0.000 3.150 709 K HA -0.102 4.251 4.320 0.055 0.000 0.267 709 K C -0.390 176.140 176.600 -0.116 0.000 1.028 709 K CA 0.545 56.757 56.287 -0.126 0.000 0.753 709 K CB -1.862 30.588 32.500 -0.084 0.000 1.288 709 K HN 0.476 nan 8.250 nan 0.000 0.473 710 I N 0.374 120.873 120.570 -0.120 0.000 2.315 710 I HA 0.282 4.486 4.170 0.055 0.000 0.291 710 I C 1.307 177.402 176.117 -0.036 0.000 1.006 710 I CA -1.006 60.250 61.300 -0.073 0.000 1.265 710 I CB 0.932 38.886 38.000 -0.076 0.000 1.387 710 I HN 0.239 nan 8.210 nan 0.000 0.475 711 A N 5.133 127.943 122.820 -0.018 0.000 2.445 711 A HA 0.089 4.442 4.320 0.055 0.000 0.242 711 A C 1.153 178.732 177.584 -0.008 0.000 1.075 711 A CA -0.229 51.802 52.037 -0.011 0.000 0.777 711 A CB 0.142 19.140 19.000 -0.003 0.000 1.013 711 A HN 0.767 nan 8.150 nan 0.000 0.493 712 D N 0.988 121.383 120.400 -0.008 0.000 2.157 712 D HA -0.252 4.421 4.640 0.055 0.000 0.191 712 D C 1.897 178.197 176.300 0.000 0.000 1.004 712 D CA 2.361 56.358 54.000 -0.005 0.000 0.854 712 D CB -0.284 40.513 40.800 -0.005 0.000 0.936 712 D HN 0.858 nan 8.370 nan 0.000 0.446 713 Q N 0.372 120.173 119.800 0.001 0.000 2.561 713 Q HA 0.201 4.574 4.340 0.055 0.000 0.217 713 Q C 1.145 177.149 176.000 0.006 0.000 0.980 713 Q CA 0.772 56.577 55.803 0.004 0.000 0.927 713 Q CB -0.196 28.545 28.738 0.004 0.000 0.980 713 Q HN 0.205 nan 8.270 nan 0.000 0.525 714 G N 0.520 109.323 108.800 0.005 0.000 2.725 714 G HA2 -0.263 3.730 3.960 0.055 0.000 0.220 714 G HA3 -0.263 3.730 3.960 0.055 0.000 0.220 714 G C -1.110 173.795 174.900 0.008 0.000 1.357 714 G CA -0.225 44.879 45.100 0.007 0.000 0.866 714 G HN 0.426 nan 8.290 nan 0.000 0.548 715 E N -0.684 119.521 120.200 0.009 0.000 2.388 715 E HA 0.358 4.741 4.350 0.055 0.000 0.289 715 E C -0.594 176.005 176.600 -0.001 0.000 0.944 715 E CA -0.750 55.658 56.400 0.014 0.000 0.792 715 E CB 0.959 30.683 29.700 0.041 0.000 1.239 715 E HN 0.469 nan 8.360 nan 0.000 0.412 716 E N 1.578 121.769 120.200 -0.014 0.000 2.558 716 E HA 0.126 4.509 4.350 0.055 0.000 0.255 716 E C 0.834 177.397 176.600 -0.061 0.000 0.968 716 E CA 1.712 58.089 56.400 -0.038 0.000 0.939 716 E CB 0.984 30.660 29.700 -0.040 0.000 0.921 716 E HN 0.889 nan 8.360 nan 0.000 0.477 717 G N 3.066 111.815 108.800 -0.085 0.000 2.195 717 G HA2 -0.224 3.769 3.960 0.055 0.000 0.246 717 G HA3 -0.224 3.769 3.960 0.055 0.000 0.246 717 G C 0.237 175.091 174.900 -0.076 0.000 0.984 717 G CA -0.142 44.890 45.100 -0.113 0.000 0.633 717 G HN 0.423 nan 8.290 nan 0.000 0.525 718 I N 1.728 122.275 120.570 -0.038 0.000 2.339 718 I HA 0.539 4.742 4.170 0.055 0.000 0.290 718 I C 0.388 176.467 176.117 -0.063 0.000 0.994 718 I CA -1.166 60.118 61.300 -0.026 0.000 1.191 718 I CB 1.333 39.343 38.000 0.018 0.000 1.343 718 I HN -0.107 nan 8.210 nan 0.000 0.458 719 V N 7.084 126.927 119.914 -0.118 0.000 2.427 719 V HA 0.511 4.664 4.120 0.055 0.000 0.286 719 V C -0.004 176.048 176.094 -0.071 0.000 1.034 719 V CA -0.485 61.697 62.300 -0.196 0.000 0.893 719 V CB 1.680 33.217 31.823 -0.477 0.000 0.982 719 V HN 0.899 nan 8.190 nan 0.000 0.452 720 E N 4.039 124.278 120.200 0.066 0.000 2.363 720 E HA 0.846 5.230 4.350 0.055 0.000 0.281 720 E C -1.157 175.596 176.600 0.255 0.000 0.953 720 E CA -0.934 55.603 56.400 0.228 0.000 0.778 720 E CB 2.392 32.163 29.700 0.118 0.000 1.220 720 E HN 0.864 nan 8.360 nan 0.000 0.431 721 A N 2.036 125.020 122.820 0.275 0.000 2.586 721 A HA 0.377 4.730 4.320 0.055 0.000 0.291 721 A C -0.455 177.150 177.584 0.035 0.000 1.062 721 A CA -0.566 51.566 52.037 0.159 0.000 0.666 721 A CB 1.333 20.476 19.000 0.238 0.000 1.281 721 A HN 0.589 nan 8.150 nan 0.000 0.421 722 D N 0.494 120.895 120.400 0.002 0.000 2.158 722 D HA -0.017 4.656 4.640 0.055 0.000 0.197 722 D C 1.154 177.401 176.300 -0.088 0.000 0.995 722 D CA 2.587 56.567 54.000 -0.032 0.000 0.846 722 D CB 0.087 40.872 40.800 -0.024 0.000 0.941 722 D HN 0.865 nan 8.370 nan 0.000 0.456 723 S N -2.397 113.215 115.700 -0.146 0.000 2.671 723 S HA 0.661 5.164 4.470 0.055 0.000 0.277 723 S C 0.032 174.350 174.600 -0.470 0.000 1.165 723 S CA -0.332 57.722 58.200 -0.242 0.000 0.822 723 S CB 1.676 64.786 63.200 -0.149 0.000 1.150 723 S HN -0.052 nan 8.310 nan 0.000 0.479 724 A N 0.856 123.349 122.820 -0.547 0.000 2.291 724 A HA 0.321 4.674 4.320 0.055 0.000 0.220 724 A C 0.644 178.084 177.584 -0.239 0.000 1.262 724 A CA 0.448 52.039 52.037 -0.744 0.000 0.867 724 A CB -1.994 16.658 19.000 -0.580 0.000 0.888 724 A HN 1.053 nan 8.150 nan 0.000 0.487 725 D N -0.905 119.416 120.400 -0.132 0.000 2.032 725 D HA -0.035 4.638 4.640 0.055 0.000 0.216 725 D C 1.307 177.646 176.300 0.065 0.000 1.414 725 D CA 1.055 55.047 54.000 -0.015 0.000 0.888 725 D CB -0.246 40.556 40.800 0.002 0.000 1.470 725 D HN 0.036 nan 8.370 nan 0.000 0.593 726 G N -1.728 107.108 108.800 0.060 0.000 2.396 726 G HA2 -0.190 3.803 3.960 0.055 0.000 0.214 726 G HA3 -0.190 3.803 3.960 0.055 0.000 0.214 726 G C 1.616 176.568 174.900 0.087 0.000 1.166 726 G CA 0.899 46.040 45.100 0.068 0.000 0.793 726 G HN 0.569 nan 8.290 nan 0.000 0.533 727 S N 0.024 115.777 115.700 0.089 0.000 2.356 727 S HA -0.141 4.363 4.470 0.055 0.000 0.223 727 S C 2.115 176.782 174.600 0.111 0.000 1.032 727 S CA 1.462 59.710 58.200 0.080 0.000 1.005 727 S CB -0.500 62.739 63.200 0.065 0.000 0.867 727 S HN 0.337 nan 8.310 nan 0.000 0.449 728 F N 1.985 121.933 119.950 -0.003 0.000 2.087 728 F HA -0.186 4.374 4.527 0.055 0.000 0.299 728 F C 2.204 178.000 175.800 -0.005 0.000 1.100 728 F CA 2.193 60.191 58.000 -0.004 0.000 1.226 728 F CB -0.323 38.676 39.000 -0.002 0.000 0.983 728 F HN 0.229 nan 8.300 nan 0.000 0.479 729 M N 0.037 119.783 119.600 0.243 0.000 2.175 729 M HA -0.164 4.349 4.480 0.055 0.000 0.264 729 M C 1.856 178.153 176.300 -0.005 0.000 1.063 729 M CA 1.412 56.776 55.300 0.107 0.000 1.119 729 M CB -1.391 31.297 32.600 0.147 0.000 1.377 729 M HN 0.121 nan 8.290 nan 0.000 0.415 730 D N 0.487 120.893 120.400 0.010 0.000 2.117 730 D HA -0.148 4.525 4.640 0.055 0.000 0.197 730 D C 1.996 178.268 176.300 -0.047 0.000 0.987 730 D CA 1.200 55.193 54.000 -0.012 0.000 0.829 730 D CB -0.127 40.675 40.800 0.003 0.000 0.961 730 D HN 0.462 nan 8.370 nan 0.000 0.460 731 E N 0.385 120.542 120.200 -0.072 0.000 2.038 731 E HA -0.149 4.234 4.350 0.055 0.000 0.195 731 E C 2.154 178.664 176.600 -0.150 0.000 1.000 731 E CA 0.270 56.605 56.400 -0.108 0.000 0.803 731 E CB -0.113 29.507 29.700 -0.133 0.000 0.750 731 E HN 0.153 nan 8.360 nan 0.000 0.448 732 L N 1.119 122.209 121.223 -0.221 0.000 1.971 732 L HA -0.238 4.135 4.340 0.055 0.000 0.215 732 L C 2.341 179.139 176.870 -0.120 0.000 1.072 732 L CA 1.765 56.478 54.840 -0.211 0.000 0.758 732 L CB -0.677 41.221 42.059 -0.268 0.000 0.889 732 L HN 0.254 nan 8.230 nan 0.000 0.433 733 L N -0.608 120.565 121.223 -0.082 0.000 2.079 733 L HA -0.253 4.121 4.340 0.055 0.000 0.210 733 L C 2.472 179.315 176.870 -0.045 0.000 1.081 733 L CA 1.758 56.568 54.840 -0.050 0.000 0.752 733 L CB -0.834 41.207 42.059 -0.031 0.000 0.896 733 L HN 0.312 nan 8.230 nan 0.000 0.433 734 T N 0.163 114.688 114.554 -0.049 0.000 2.684 734 T HA -0.195 4.188 4.350 0.055 0.000 0.267 734 T C 1.943 176.611 174.700 -0.053 0.000 1.036 734 T CA 1.340 63.416 62.100 -0.040 0.000 1.148 734 T CB -0.280 68.565 68.868 -0.038 0.000 0.863 734 T HN 0.209 nan 8.240 nan 0.000 0.436 735 L N 0.204 121.376 121.223 -0.085 0.000 2.046 735 L HA -0.093 4.280 4.340 0.055 0.000 0.208 735 L C 2.730 179.536 176.870 -0.108 0.000 1.077 735 L CA 1.331 56.102 54.840 -0.115 0.000 0.747 735 L CB -0.548 41.422 42.059 -0.149 0.000 0.896 735 L HN 0.316 nan 8.230 nan 0.000 0.432 736 M N -0.766 118.786 119.600 -0.080 0.000 2.213 736 M HA -0.183 4.330 4.480 0.055 0.000 0.263 736 M C 2.437 178.737 176.300 0.001 0.000 1.062 736 M CA 1.719 56.991 55.300 -0.047 0.000 1.105 736 M CB -0.488 32.092 32.600 -0.033 0.000 1.385 736 M HN 0.322 nan 8.290 nan 0.000 0.417 737 A N 0.166 122.987 122.820 0.002 0.000 2.015 737 A HA 0.055 4.408 4.320 0.055 0.000 0.219 737 A C 2.158 179.785 177.584 0.072 0.000 1.163 737 A CA 1.666 53.724 52.037 0.036 0.000 0.646 737 A CB -0.598 18.417 19.000 0.025 0.000 0.806 737 A HN 0.502 nan 8.150 nan 0.000 0.448 738 A N -2.777 120.065 122.820 0.036 0.000 2.275 738 A HA 0.351 4.704 4.320 0.055 0.000 0.212 738 A C 0.952 178.567 177.584 0.050 0.000 1.201 738 A CA 1.291 53.363 52.037 0.058 0.000 0.843 738 A CB -0.406 18.583 19.000 -0.018 0.000 0.873 738 A HN 0.974 nan 8.150 nan 0.000 0.492 739 H N -1.457 117.555 119.070 -0.097 0.000 4.823 739 H HA -0.170 4.419 4.556 0.055 0.000 0.064 739 H C 0.023 175.138 175.328 -0.356 0.000 0.599 739 H CA 2.293 58.269 56.048 -0.121 0.000 0.956 739 H CB -0.617 29.181 29.762 0.060 0.000 0.432 739 H HN 0.455 nan 8.280 nan 0.000 0.798 740 R N -0.374 119.561 120.500 -0.941 0.000 2.799 740 R HA 0.633 5.006 4.340 0.055 0.000 0.270 740 R C -0.755 174.710 176.300 -1.392 0.000 1.010 740 R CA -0.280 55.036 56.100 -1.306 0.000 0.916 740 R CB 1.762 30.957 30.300 -1.842 0.000 1.228 740 R HN 0.060 nan 8.270 nan 0.000 0.469 741 V N 2.276 121.578 119.914 -1.019 0.000 2.218 741 V HA 0.129 4.282 4.120 0.055 0.000 0.261 741 V C 0.614 176.311 176.094 -0.662 0.000 1.142 741 V CA -0.511 61.362 62.300 -0.712 0.000 0.965 741 V CB -0.103 31.451 31.823 -0.449 0.000 1.190 741 V HN 0.723 nan 8.190 nan 0.000 0.478 742 W N 1.610 122.618 121.300 -0.487 0.000 2.374 742 W HA -0.176 4.517 4.660 0.055 0.000 0.288 742 W C 2.517 178.813 176.519 -0.371 0.000 1.218 742 W CA 0.900 57.860 57.345 -0.642 0.000 1.245 742 W CB -0.506 28.117 29.460 -1.395 0.000 1.126 742 W HN 0.648 nan 8.180 nan 0.000 0.545 743 S N 0.819 116.467 115.700 -0.088 0.000 2.469 743 S HA -0.189 4.314 4.470 0.055 0.000 0.238 743 S C 1.704 176.265 174.600 -0.066 0.000 0.998 743 S CA 1.076 59.248 58.200 -0.046 0.000 0.957 743 S CB -0.473 62.702 63.200 -0.042 0.000 0.764 743 S HN 0.436 nan 8.310 nan 0.000 0.514 744 R N 0.644 121.061 120.500 -0.137 0.000 2.299 744 R HA 0.253 4.626 4.340 0.055 0.000 0.197 744 R C 1.737 177.964 176.300 -0.122 0.000 0.971 744 R CA 0.346 56.344 56.100 -0.170 0.000 1.030 744 R CB -0.353 29.739 30.300 -0.346 0.000 0.932 744 R HN 0.484 nan 8.270 nan 0.000 0.477 745 I N 1.599 122.136 120.570 -0.055 0.000 2.151 745 I HA -0.219 3.984 4.170 0.055 0.000 0.243 745 I C -0.806 175.328 176.117 0.029 0.000 1.080 745 I CA 1.305 62.612 61.300 0.013 0.000 1.339 745 I CB -0.899 37.155 38.000 0.091 0.000 1.039 745 I HN 0.132 nan 8.210 nan 0.000 0.409 746 P HA -0.149 nan 4.420 nan 0.000 0.225 746 P C 1.162 178.488 177.300 0.043 0.000 1.148 746 P CA 1.354 64.480 63.100 0.043 0.000 0.779 746 P CB -0.036 31.688 31.700 0.040 0.000 0.780 747 K N -0.465 119.956 120.400 0.035 0.000 2.314 747 K HA 0.072 4.425 4.320 0.055 0.000 0.198 747 K C 1.935 178.594 176.600 0.100 0.000 1.045 747 K CA 0.649 56.982 56.287 0.076 0.000 0.988 747 K CB -0.310 32.264 32.500 0.123 0.000 0.783 747 K HN 0.282 nan 8.250 nan 0.000 0.484 748 I N -1.332 119.263 120.570 0.042 0.000 2.830 748 I HA -0.101 4.102 4.170 0.055 0.000 0.263 748 I C 1.030 177.187 176.117 0.066 0.000 1.230 748 I CA 1.117 62.445 61.300 0.047 0.000 1.480 748 I CB -0.085 37.891 38.000 -0.040 0.000 1.095 748 I HN -0.119 nan 8.210 nan 0.000 0.455 749 D N 2.450 122.889 120.400 0.066 0.000 2.221 749 D HA -0.158 4.515 4.640 0.055 0.000 0.204 749 D C 1.798 178.136 176.300 0.063 0.000 0.982 749 D CA 1.381 55.421 54.000 0.067 0.000 0.857 749 D CB 0.049 40.889 40.800 0.066 0.000 0.934 749 D HN 0.478 nan 8.370 nan 0.000 0.475 750 K N -0.237 120.200 120.400 0.063 0.000 2.361 750 K HA 0.233 4.587 4.320 0.055 0.000 0.194 750 K C 0.802 177.432 176.600 0.050 0.000 1.032 750 K CA -0.180 56.139 56.287 0.053 0.000 1.048 750 K CB 0.984 33.513 32.500 0.048 0.000 0.842 750 K HN 0.118 nan 8.250 nan 0.000 0.526 751 I N 3.747 124.354 120.570 0.062 0.000 2.396 751 I HA 0.131 4.334 4.170 0.055 0.000 0.289 751 I C -2.248 173.897 176.117 0.047 0.000 1.056 751 I CA -2.460 58.872 61.300 0.052 0.000 1.365 751 I CB 0.852 38.900 38.000 0.081 0.000 1.407 751 I HN -0.012 nan 8.210 nan 0.000 0.509 752 P HA 0.346 nan 4.420 nan 0.000 0.266 752 P C -1.001 176.357 177.300 0.096 0.000 1.586 752 P CA -0.064 63.073 63.100 0.061 0.000 1.088 752 P CB 0.576 32.307 31.700 0.052 0.000 1.584 753 A N 0.000 122.877 122.820 0.094 0.000 2.254 753 A HA 0.000 4.353 4.320 0.055 0.000 0.244 753 A CA 0.000 52.133 52.037 0.160 0.000 0.836 753 A CB 0.000 18.954 19.000 -0.076 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486