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 3p9s_1_A 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 TMEGFGAHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT CPYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PXGNIADIAD 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 0.000 174.573 174.600 -0.045 0.000 1.055 28 S CA 0.000 58.180 58.200 -0.033 0.000 1.107 28 S CB 0.000 63.184 63.200 -0.027 0.000 0.593 29 L N 0.148 121.334 121.223 -0.060 0.000 2.256 29 L HA 1.088 5.465 4.340 0.061 0.000 0.261 29 L C 0.582 177.370 176.870 -0.137 0.000 1.022 29 L CA -0.949 53.838 54.840 -0.088 0.000 0.828 29 L CB -0.133 41.881 42.059 -0.075 0.000 1.374 29 L HN 0.111 nan 8.230 nan 0.000 0.436 30 A N 0.288 122.962 122.820 -0.242 0.000 2.507 30 A HA 0.530 4.887 4.320 0.061 0.000 0.235 30 A C -2.074 175.351 177.584 -0.264 0.000 1.070 30 A CA -0.552 51.206 52.037 -0.465 0.000 0.768 30 A CB -1.176 17.286 19.000 -0.896 0.000 1.011 30 A HN 0.685 nan 8.150 nan 0.000 0.502 31 P HA 0.152 nan 4.420 nan 0.000 0.272 31 P C 0.242 177.520 177.300 -0.038 0.000 1.223 31 P CA -0.123 62.940 63.100 -0.061 0.000 0.784 31 P CB 0.774 32.478 31.700 0.006 0.000 0.923 32 E N 1.083 121.274 120.200 -0.015 0.000 2.153 32 E HA -0.219 4.168 4.350 0.061 0.000 0.194 32 E C 1.070 177.688 176.600 0.029 0.000 0.988 32 E CA 1.591 57.991 56.400 -0.000 0.000 0.811 32 E CB -0.312 29.387 29.700 -0.002 0.000 0.746 32 E HN 0.502 nan 8.360 nan 0.000 0.466 33 D N -1.341 119.084 120.400 0.041 0.000 2.378 33 D HA -0.004 4.673 4.640 0.061 0.000 0.227 33 D C 1.326 177.679 176.300 0.088 0.000 1.012 33 D CA 0.841 54.872 54.000 0.053 0.000 0.905 33 D CB -0.338 40.486 40.800 0.040 0.000 0.895 33 D HN 0.251 nan 8.370 nan 0.000 0.532 34 G N 0.225 109.124 108.800 0.165 0.000 2.155 34 G HA2 -0.368 3.629 3.960 0.061 0.000 0.257 34 G HA3 -0.368 3.629 3.960 0.061 0.000 0.257 34 G C 1.073 176.064 174.900 0.152 0.000 0.983 34 G CA 0.933 46.175 45.100 0.237 0.000 0.676 34 G HN 0.734 nan 8.290 nan 0.000 0.528 35 S N -0.063 115.742 115.700 0.175 0.000 2.603 35 S HA 0.031 4.538 4.470 0.061 0.000 0.229 35 S C 1.728 176.382 174.600 0.090 0.000 0.972 35 S CA 1.221 59.471 58.200 0.085 0.000 0.935 35 S CB -0.648 62.590 63.200 0.064 0.000 0.769 35 S HN 1.036 nan 8.310 nan 0.000 0.536 36 H N 0.489 119.566 119.070 0.010 0.000 2.495 36 H HA 0.281 4.874 4.556 0.061 0.000 0.287 36 H C 1.123 176.462 175.328 0.019 0.000 1.033 36 H CA 0.512 56.567 56.048 0.012 0.000 1.307 36 H CB -0.104 29.665 29.762 0.010 0.000 1.401 36 H HN 0.354 nan 8.280 nan 0.000 0.555 37 R N 2.213 122.404 120.500 -0.515 0.000 2.343 37 R HA 0.346 4.723 4.340 0.061 0.000 0.320 37 R C -2.874 173.327 176.300 -0.164 0.000 0.956 37 R CA -2.585 53.281 56.100 -0.389 0.000 0.836 37 R CB 0.833 30.773 30.300 -0.599 0.000 1.151 37 R HN 0.091 nan 8.270 nan 0.000 0.450 38 P HA 0.194 nan 4.420 nan 0.000 0.275 38 P C -0.850 176.439 177.300 -0.019 0.000 1.228 38 P CA -0.501 62.585 63.100 -0.024 0.000 0.786 38 P CB 1.110 32.821 31.700 0.019 0.000 0.927 39 A N 2.481 125.296 122.820 -0.008 0.000 2.565 39 A HA 0.311 4.668 4.320 0.061 0.000 0.237 39 A C 0.951 178.545 177.584 0.016 0.000 1.053 39 A CA 0.345 52.383 52.037 0.001 0.000 0.755 39 A CB -0.583 18.421 19.000 0.006 0.000 0.980 39 A HN 0.586 nan 8.150 nan 0.000 0.506 40 A N 3.018 125.848 122.820 0.016 0.000 3.168 40 A HA 0.507 4.864 4.320 0.061 0.000 0.260 40 A C 0.179 177.781 177.584 0.031 0.000 1.598 40 A CA -0.140 51.913 52.037 0.027 0.000 1.285 40 A CB -0.362 18.651 19.000 0.022 0.000 1.149 40 A HN 0.724 nan 8.150 nan 0.000 0.630 41 E N 0.475 120.695 120.200 0.034 0.000 2.390 41 E HA 0.393 4.779 4.350 0.061 0.000 0.277 41 E C -3.121 173.502 176.600 0.038 0.000 0.939 41 E CA -2.058 54.362 56.400 0.035 0.000 0.769 41 E CB 1.788 31.502 29.700 0.025 0.000 1.251 41 E HN 0.067 nan 8.360 nan 0.000 0.450 42 P HA 0.098 nan 4.420 nan 0.000 0.267 42 P C -0.549 176.760 177.300 0.016 0.000 1.205 42 P CA 0.100 63.217 63.100 0.028 0.000 0.765 42 P CB 0.291 31.997 31.700 0.009 0.000 0.828 43 T N 0.586 115.145 114.554 0.008 0.000 2.909 43 T HA 0.616 5.003 4.350 0.061 0.000 0.299 43 T C -2.975 171.696 174.700 -0.048 0.000 1.073 43 T CA -2.581 59.517 62.100 -0.003 0.000 0.999 43 T CB 1.760 70.632 68.868 0.008 0.000 1.098 43 T HN 0.095 nan 8.240 nan 0.000 0.477 44 P HA 0.346 nan 4.420 nan 0.000 0.272 44 P C -2.739 174.419 177.300 -0.237 0.000 1.230 44 P CA -1.497 61.451 63.100 -0.254 0.000 0.788 44 P CB -0.877 30.754 31.700 -0.115 0.000 0.949 45 P HA 0.015 nan 4.420 nan 0.000 0.264 45 P C 1.131 178.388 177.300 -0.072 0.000 1.183 45 P CA 1.450 64.457 63.100 -0.155 0.000 0.763 45 P CB -0.250 31.361 31.700 -0.149 0.000 0.807 46 G N 2.415 111.202 108.800 -0.022 0.000 2.234 46 G HA2 -0.361 3.636 3.960 0.061 0.000 0.260 46 G HA3 -0.361 3.636 3.960 0.061 0.000 0.260 46 G C 1.152 176.051 174.900 -0.001 0.000 0.987 46 G CA 0.468 45.567 45.100 -0.002 0.000 0.625 46 G HN 0.698 nan 8.290 nan 0.000 0.532 47 A N -1.221 121.594 122.820 -0.009 0.000 2.016 47 A HA 0.439 4.796 4.320 0.061 0.000 0.217 47 A C 1.283 178.871 177.584 0.006 0.000 1.162 47 A CA 1.947 53.983 52.037 -0.001 0.000 0.662 47 A CB 0.041 19.039 19.000 -0.004 0.000 0.812 47 A HN 0.496 nan 8.150 nan 0.000 0.450 48 Q N -0.927 118.880 119.800 0.012 0.000 2.416 48 Q HA 0.412 4.788 4.340 0.061 0.000 0.281 48 Q C -3.006 173.009 176.000 0.026 0.000 1.067 48 Q CA -1.936 53.877 55.803 0.017 0.000 0.809 48 Q CB 1.404 30.155 28.738 0.022 0.000 1.418 48 Q HN 0.067 nan 8.270 nan 0.000 0.411 49 P HA 0.054 nan 4.420 nan 0.000 0.269 49 P C -0.201 177.130 177.300 0.052 0.000 1.209 49 P CA 0.042 63.156 63.100 0.024 0.000 0.776 49 P CB 0.269 31.979 31.700 0.016 0.000 0.876 50 T N -0.912 113.671 114.554 0.049 0.000 2.828 50 T HA 0.657 5.043 4.350 0.061 0.000 0.290 50 T C -0.061 174.723 174.700 0.139 0.000 1.019 50 T CA -0.538 61.642 62.100 0.133 0.000 1.031 50 T CB 0.816 69.705 68.868 0.036 0.000 1.001 50 T HN 0.591 nan 8.240 nan 0.000 0.531 51 A N 1.407 124.415 122.820 0.314 0.000 2.609 51 A HA 0.770 5.127 4.320 0.061 0.000 0.291 51 A C -3.076 174.786 177.584 0.462 0.000 1.096 51 A CA -1.988 50.208 52.037 0.265 0.000 0.684 51 A CB 0.593 19.699 19.000 0.176 0.000 1.282 51 A HN 0.655 nan 8.150 nan 0.000 0.412 52 P HA 0.119 nan 4.420 nan 0.000 0.265 52 P C 1.253 178.705 177.300 0.254 0.000 1.187 52 P CA 0.964 64.288 63.100 0.375 0.000 0.766 52 P CB 0.549 32.384 31.700 0.226 0.000 0.820 53 G N 2.387 111.293 108.800 0.177 0.000 2.476 53 G HA2 -0.310 3.687 3.960 0.061 0.000 0.218 53 G HA3 -0.310 3.687 3.960 0.061 0.000 0.218 53 G C 1.554 176.468 174.900 0.024 0.000 1.164 53 G CA 1.199 46.313 45.100 0.024 0.000 0.768 53 G HN 0.594 nan 8.290 nan 0.000 0.560 54 S N -0.001 115.716 115.700 0.029 0.000 2.481 54 S HA 0.145 4.652 4.470 0.061 0.000 0.231 54 S C 2.195 176.813 174.600 0.030 0.000 0.996 54 S CA 0.829 59.033 58.200 0.007 0.000 0.942 54 S CB -0.154 63.045 63.200 -0.002 0.000 0.768 54 S HN 0.320 nan 8.310 nan 0.000 0.520 55 L N -0.219 121.039 121.223 0.059 0.000 2.298 55 L HA 0.280 4.657 4.340 0.061 0.000 0.209 55 L C 2.630 179.534 176.870 0.058 0.000 1.084 55 L CA 0.713 55.588 54.840 0.058 0.000 0.816 55 L CB -0.292 41.811 42.059 0.073 0.000 0.967 55 L HN 0.245 nan 8.230 nan 0.000 0.460 56 K N 1.580 122.025 120.400 0.075 0.000 2.076 56 K HA 0.050 4.407 4.320 0.061 0.000 0.204 56 K C 0.784 177.415 176.600 0.052 0.000 1.051 56 K CA 1.305 57.637 56.287 0.074 0.000 0.949 56 K CB 0.104 32.667 32.500 0.105 0.000 0.726 56 K HN 0.122 nan 8.250 nan 0.000 0.443 57 A N 1.047 123.889 122.820 0.038 0.000 3.159 57 A HA 0.366 4.722 4.320 0.061 0.000 0.330 57 A C -2.212 175.377 177.584 0.009 0.000 1.032 57 A CA -1.111 50.945 52.037 0.031 0.000 0.841 57 A CB 0.612 19.636 19.000 0.039 0.000 1.093 57 A HN 0.182 nan 8.150 nan 0.000 0.478 58 P HA -0.083 nan 4.420 nan 0.000 0.226 58 P C 0.084 177.377 177.300 -0.011 0.000 1.153 58 P CA 1.090 64.189 63.100 -0.002 0.000 0.777 58 P CB 0.346 32.050 31.700 0.005 0.000 0.794 59 D N -1.045 119.353 120.400 -0.004 0.000 2.339 59 D HA 0.023 4.700 4.640 0.061 0.000 0.217 59 D C 0.248 176.536 176.300 -0.021 0.000 1.050 59 D CA 0.525 54.519 54.000 -0.009 0.000 0.856 59 D CB -0.291 40.510 40.800 0.003 0.000 0.922 59 D HN 0.093 nan 8.370 nan 0.000 0.518 60 T N 1.784 116.323 114.554 -0.026 0.000 2.737 60 T HA 0.362 4.749 4.350 0.061 0.000 0.296 60 T C 0.448 175.102 174.700 -0.076 0.000 0.922 60 T CA -0.129 61.941 62.100 -0.051 0.000 1.079 60 T CB 0.979 69.813 68.868 -0.056 0.000 0.892 60 T HN -0.082 nan 8.240 nan 0.000 0.514 61 R N 2.890 123.339 120.500 -0.086 0.000 2.795 61 R HA 0.625 5.002 4.340 0.061 0.000 0.275 61 R C -0.585 175.657 176.300 -0.098 0.000 0.981 61 R CA -1.031 55.013 56.100 -0.093 0.000 0.917 61 R CB 1.568 31.821 30.300 -0.078 0.000 1.202 61 R HN 0.751 nan 8.270 nan 0.000 0.469 62 N N -1.303 117.341 118.700 -0.092 0.000 2.732 62 N HA 0.045 4.822 4.740 0.061 0.000 0.259 62 N C 0.113 175.579 175.510 -0.073 0.000 1.402 62 N CA -0.944 52.065 53.050 -0.068 0.000 0.829 62 N CB 0.840 39.317 38.487 -0.016 0.000 1.495 62 N HN 0.615 nan 8.380 nan 0.000 0.511 63 E N -0.275 119.896 120.200 -0.049 0.000 2.114 63 E HA -0.318 4.068 4.350 0.061 0.000 0.199 63 E C 1.007 177.535 176.600 -0.119 0.000 1.008 63 E CA 1.639 58.003 56.400 -0.059 0.000 0.810 63 E CB 0.094 29.783 29.700 -0.018 0.000 0.739 63 E HN 0.505 nan 8.360 nan 0.000 0.456 64 K N 0.585 120.881 120.400 -0.175 0.000 2.031 64 K HA -0.065 4.291 4.320 0.061 0.000 0.205 64 K C 2.095 178.534 176.600 -0.268 0.000 1.049 64 K CA 1.073 57.162 56.287 -0.330 0.000 0.939 64 K CB -0.417 31.707 32.500 -0.626 0.000 0.717 64 K HN 0.167 nan 8.250 nan 0.000 0.438 65 L N 0.971 122.054 121.223 -0.234 0.000 2.042 65 L HA -0.252 4.125 4.340 0.061 0.000 0.210 65 L C 1.885 178.640 176.870 -0.192 0.000 1.076 65 L CA 1.467 56.142 54.840 -0.275 0.000 0.749 65 L CB -0.672 41.223 42.059 -0.273 0.000 0.893 65 L HN 0.272 nan 8.230 nan 0.000 0.432 66 N N -0.270 118.344 118.700 -0.144 0.000 2.166 66 N HA -0.153 4.624 4.740 0.061 0.000 0.186 66 N C 2.033 177.481 175.510 -0.103 0.000 1.019 66 N CA 1.674 54.661 53.050 -0.106 0.000 0.856 66 N CB -0.468 37.970 38.487 -0.082 0.000 0.993 66 N HN 0.382 nan 8.380 nan 0.000 0.426 67 S N 0.355 115.984 115.700 -0.119 0.000 2.474 67 S HA 0.041 4.547 4.470 0.061 0.000 0.235 67 S C 1.743 176.278 174.600 -0.108 0.000 0.997 67 S CA 0.333 58.470 58.200 -0.105 0.000 0.949 67 S CB -0.459 62.671 63.200 -0.117 0.000 0.766 67 S HN 0.241 nan 8.310 nan 0.000 0.517 68 L N 0.765 121.910 121.223 -0.130 0.000 2.599 68 L HA 0.208 4.585 4.340 0.061 0.000 0.230 68 L C 2.539 179.359 176.870 -0.083 0.000 1.141 68 L CA 0.457 55.229 54.840 -0.114 0.000 0.877 68 L CB -0.342 41.633 42.059 -0.140 0.000 1.009 68 L HN 0.262 nan 8.230 nan 0.000 0.447 69 E N 0.985 121.139 120.200 -0.075 0.000 2.204 69 E HA -0.232 4.155 4.350 0.061 0.000 0.195 69 E C 1.686 178.262 176.600 -0.041 0.000 0.990 69 E CA 1.276 57.644 56.400 -0.054 0.000 0.821 69 E CB -0.038 29.633 29.700 -0.049 0.000 0.750 69 E HN 0.558 nan 8.360 nan 0.000 0.477 70 D N -0.491 119.883 120.400 -0.044 0.000 2.218 70 D HA -0.148 4.529 4.640 0.061 0.000 0.204 70 D C 1.659 177.938 176.300 -0.034 0.000 0.976 70 D CA 1.616 55.594 54.000 -0.036 0.000 0.853 70 D CB -0.348 40.430 40.800 -0.037 0.000 0.939 70 D HN 0.307 nan 8.370 nan 0.000 0.481 71 V N -3.454 116.438 119.914 -0.037 0.000 3.645 71 V HA 0.298 4.455 4.120 0.061 0.000 0.275 71 V C 0.945 177.026 176.094 -0.023 0.000 1.356 71 V CA -0.618 61.664 62.300 -0.030 0.000 1.051 71 V CB -0.434 31.371 31.823 -0.030 0.000 0.828 71 V HN -0.162 nan 8.190 nan 0.000 0.441 72 R N 2.118 122.604 120.500 -0.024 0.000 2.522 72 R HA 0.337 4.713 4.340 0.061 0.000 0.284 72 R C -0.257 176.038 176.300 -0.009 0.000 1.032 72 R CA 0.272 56.367 56.100 -0.010 0.000 1.049 72 R CB 0.474 30.768 30.300 -0.010 0.000 0.956 72 R HN 0.379 nan 8.270 nan 0.000 0.422 73 K N 1.389 121.788 120.400 -0.002 0.000 2.413 73 K HA 0.294 4.651 4.320 0.061 0.000 0.257 73 K C 0.083 176.690 176.600 0.011 0.000 0.946 73 K CA -0.369 55.903 56.287 -0.024 0.000 0.823 73 K CB 1.728 34.199 32.500 -0.049 0.000 1.109 73 K HN 0.704 nan 8.250 nan 0.000 0.427 74 G N 0.755 109.580 108.800 0.041 0.000 2.468 74 G HA2 0.200 4.197 3.960 0.061 0.000 0.264 74 G HA3 0.200 4.197 3.960 0.061 0.000 0.264 74 G C 0.282 175.282 174.900 0.166 0.000 1.460 74 G CA 0.310 45.492 45.100 0.136 0.000 1.060 74 G HN 0.744 nan 8.290 nan 0.000 0.543 75 S N -2.839 113.050 115.700 0.316 0.000 2.323 75 S HA 0.104 4.611 4.470 0.061 0.000 0.233 75 S C 0.241 175.017 174.600 0.294 0.000 0.898 75 S CA -0.218 58.162 58.200 0.300 0.000 1.321 75 S CB 0.111 63.398 63.200 0.144 0.000 0.921 75 S HN 0.508 nan 8.310 nan 0.000 0.398 76 E N 2.870 123.158 120.200 0.146 0.000 2.415 76 E HA 0.275 4.661 4.350 0.061 0.000 0.263 76 E C -0.274 176.228 176.600 -0.163 0.000 0.995 76 E CA 0.153 56.559 56.400 0.011 0.000 0.915 76 E CB 0.108 29.804 29.700 -0.007 0.000 0.951 76 E HN 0.369 nan 8.360 nan 0.000 0.449 77 N N 1.091 119.713 118.700 -0.129 0.000 2.948 77 N HA -0.207 4.569 4.740 0.061 0.000 0.239 77 N C -1.255 174.110 175.510 -0.242 0.000 0.954 77 N CA 1.057 53.982 53.050 -0.209 0.000 0.941 77 N CB -1.305 37.010 38.487 -0.286 0.000 1.101 77 N HN 0.377 nan 8.380 nan 0.000 0.579 78 Y N 0.684 120.989 120.300 0.008 0.000 2.387 78 Y HA 0.656 5.243 4.550 0.062 0.000 0.336 78 Y C 0.839 176.741 175.900 0.004 0.000 1.067 78 Y CA -0.682 57.422 58.100 0.007 0.000 1.114 78 Y CB 1.222 39.687 38.460 0.007 0.000 1.208 78 Y HN 0.125 nan 8.280 nan 0.000 0.458 79 A N 2.909 125.842 122.820 0.189 0.000 2.407 79 A HA 0.399 4.756 4.320 0.061 0.000 0.248 79 A C -0.650 176.982 177.584 0.080 0.000 1.082 79 A CA -0.503 51.594 52.037 0.101 0.000 0.785 79 A CB 0.087 19.134 19.000 0.078 0.000 1.020 79 A HN 0.750 nan 8.150 nan 0.000 0.489 80 L N 2.826 124.078 121.223 0.047 0.000 2.410 80 L HA 0.523 4.900 4.340 0.061 0.000 0.273 80 L C 0.615 177.494 176.870 0.016 0.000 1.152 80 L CA 1.056 55.911 54.840 0.024 0.000 0.855 80 L CB 0.545 42.609 42.059 0.010 0.000 1.129 80 L HN 0.899 nan 8.230 nan 0.000 0.463 81 T N 0.363 114.921 114.554 0.006 0.000 2.887 81 T HA 0.639 5.026 4.350 0.061 0.000 0.292 81 T C 0.182 174.886 174.700 0.006 0.000 1.087 81 T CA -0.193 61.913 62.100 0.012 0.000 1.009 81 T CB 1.054 69.931 68.868 0.014 0.000 1.203 81 T HN 0.822 nan 8.240 nan 0.000 0.518 82 T N 0.461 115.033 114.554 0.030 0.000 2.701 82 T HA 0.186 4.573 4.350 0.061 0.000 0.303 82 T C 1.099 175.818 174.700 0.031 0.000 1.030 82 T CA -0.433 61.694 62.100 0.045 0.000 1.010 82 T CB -0.071 68.869 68.868 0.121 0.000 1.007 82 T HN 0.570 nan 8.240 nan 0.000 0.532 83 N N 0.582 119.303 118.700 0.035 0.000 2.453 83 N HA -0.076 4.700 4.740 0.061 0.000 0.183 83 N C 1.630 177.159 175.510 0.032 0.000 1.041 83 N CA 0.636 53.699 53.050 0.021 0.000 0.900 83 N CB -0.196 38.312 38.487 0.036 0.000 0.961 83 N HN 0.566 nan 8.380 nan 0.000 0.443 84 Q N -0.554 119.278 119.800 0.054 0.000 2.403 84 Q HA 0.176 4.552 4.340 0.061 0.000 0.203 84 Q C 0.868 176.891 176.000 0.037 0.000 0.932 84 Q CA 0.306 56.136 55.803 0.046 0.000 0.945 84 Q CB 0.361 29.132 28.738 0.054 0.000 1.045 84 Q HN 0.418 nan 8.270 nan 0.000 0.511 85 G N 0.251 109.072 108.800 0.035 0.000 2.141 85 G HA2 -0.225 3.772 3.960 0.061 0.000 0.231 85 G HA3 -0.225 3.772 3.960 0.061 0.000 0.231 85 G C 0.045 174.970 174.900 0.042 0.000 0.984 85 G CA 0.082 45.196 45.100 0.024 0.000 0.660 85 G HN 0.212 nan 8.290 nan 0.000 0.525 86 V N 1.667 121.622 119.914 0.069 0.000 2.432 86 V HA 0.407 4.564 4.120 0.061 0.000 0.275 86 V C 1.253 177.389 176.094 0.070 0.000 1.043 86 V CA -0.609 61.745 62.300 0.089 0.000 0.925 86 V CB 1.201 33.125 31.823 0.169 0.000 0.985 86 V HN 0.395 nan 8.190 nan 0.000 0.466 87 R N 4.178 124.711 120.500 0.055 0.000 2.537 87 R HA 0.390 4.767 4.340 0.061 0.000 0.280 87 R C -0.552 175.764 176.300 0.027 0.000 1.058 87 R CA -0.121 56.002 56.100 0.038 0.000 1.057 87 R CB 0.572 30.894 30.300 0.036 0.000 0.973 87 R HN 0.569 nan 8.270 nan 0.000 0.438 88 I N 1.936 122.510 120.570 0.006 0.000 2.353 88 I HA 0.125 4.331 4.170 0.061 0.000 0.293 88 I C 0.939 177.047 176.117 -0.015 0.000 0.992 88 I CA 0.074 61.362 61.300 -0.020 0.000 1.268 88 I CB 1.893 39.870 38.000 -0.038 0.000 1.387 88 I HN 0.774 nan 8.210 nan 0.000 0.478 89 A N 3.940 126.747 122.820 -0.021 0.000 1.924 89 A HA 0.028 4.385 4.320 0.061 0.000 0.211 89 A C 0.643 178.213 177.584 -0.025 0.000 1.198 89 A CA 0.860 52.887 52.037 -0.016 0.000 0.657 89 A CB 0.073 19.066 19.000 -0.011 0.000 0.852 89 A HN 0.677 nan 8.150 nan 0.000 0.454 90 D N -0.570 119.806 120.400 -0.039 0.000 2.389 90 D HA 0.307 4.984 4.640 0.061 0.000 0.256 90 D C -1.202 175.066 176.300 -0.054 0.000 1.239 90 D CA -0.363 53.612 54.000 -0.041 0.000 0.925 90 D CB 1.107 41.883 40.800 -0.040 0.000 1.145 90 D HN 0.057 nan 8.370 nan 0.000 0.542 91 D N 1.878 122.250 120.400 -0.048 0.000 2.336 91 D HA 0.025 4.702 4.640 0.061 0.000 0.228 91 D C 0.699 176.967 176.300 -0.054 0.000 1.120 91 D CA 0.349 54.316 54.000 -0.055 0.000 0.839 91 D CB 0.512 41.285 40.800 -0.045 0.000 0.932 91 D HN 0.243 nan 8.370 nan 0.000 0.509 92 Q N -0.570 119.200 119.800 -0.050 0.000 2.281 92 Q HA 0.259 4.635 4.340 0.061 0.000 0.215 92 Q C -0.157 175.813 176.000 -0.050 0.000 0.867 92 Q CA 0.173 55.947 55.803 -0.048 0.000 0.940 92 Q CB 0.777 29.492 28.738 -0.038 0.000 1.111 92 Q HN 0.194 nan 8.270 nan 0.000 0.513 93 N N -0.062 118.606 118.700 -0.055 0.000 2.331 93 N HA 0.278 5.055 4.740 0.061 0.000 0.280 93 N C -1.088 174.387 175.510 -0.060 0.000 1.155 93 N CA -0.223 52.796 53.050 -0.051 0.000 0.822 93 N CB 2.139 40.601 38.487 -0.042 0.000 1.619 93 N HN -0.181 nan 8.380 nan 0.000 0.476 94 S N 0.748 116.416 115.700 -0.054 0.000 2.617 94 S HA 0.321 4.828 4.470 0.061 0.000 0.269 94 S C 0.121 174.693 174.600 -0.047 0.000 1.292 94 S CA -0.572 57.595 58.200 -0.055 0.000 1.010 94 S CB 0.825 64.000 63.200 -0.043 0.000 0.944 94 S HN 0.392 nan 8.310 nan 0.000 0.536 95 L N 3.462 124.656 121.223 -0.048 0.000 2.360 95 L HA 0.393 4.770 4.340 0.061 0.000 0.276 95 L C 0.116 176.976 176.870 -0.018 0.000 1.121 95 L CA 0.481 55.301 54.840 -0.032 0.000 0.845 95 L CB -0.188 41.852 42.059 -0.030 0.000 1.143 95 L HN 0.727 nan 8.230 nan 0.000 0.452 96 R N 4.139 124.631 120.500 -0.013 0.000 2.836 96 R HA 0.877 5.253 4.340 0.061 0.000 0.269 96 R C -1.213 175.085 176.300 -0.003 0.000 1.010 96 R CA -0.884 55.212 56.100 -0.007 0.000 0.930 96 R CB 1.123 31.416 30.300 -0.011 0.000 1.218 96 R HN 0.564 nan 8.270 nan 0.000 0.473 97 A N 1.332 124.152 122.820 -0.000 0.000 2.506 97 A HA 0.601 4.958 4.320 0.061 0.000 0.320 97 A C 0.645 178.228 177.584 -0.001 0.000 1.424 97 A CA 0.233 52.271 52.037 0.002 0.000 1.044 97 A CB -0.755 18.247 19.000 0.004 0.000 1.140 97 A HN 1.225 nan 8.150 nan 0.000 0.538 98 G N 1.414 110.213 108.800 -0.002 0.000 2.787 98 G HA2 -0.035 3.962 3.960 0.061 0.000 0.685 98 G HA3 -0.035 3.962 3.960 0.061 0.000 0.685 98 G C 0.789 175.686 174.900 -0.006 0.000 1.437 98 G CA 0.199 45.297 45.100 -0.003 0.000 0.872 98 G HN 1.909 nan 8.290 nan 0.000 0.566 99 S N -0.534 115.162 115.700 -0.007 0.000 2.522 99 S HA 0.050 4.557 4.470 0.061 0.000 0.227 99 S C 1.631 176.225 174.600 -0.010 0.000 0.986 99 S CA 1.248 59.442 58.200 -0.010 0.000 0.929 99 S CB 0.159 63.353 63.200 -0.010 0.000 0.769 99 S HN 0.721 nan 8.310 nan 0.000 0.529 100 R N 1.097 121.592 120.500 -0.008 0.000 2.466 100 R HA 0.324 4.701 4.340 0.061 0.000 0.279 100 R C 0.932 177.228 176.300 -0.007 0.000 0.976 100 R CA 0.050 56.145 56.100 -0.008 0.000 1.081 100 R CB 0.512 30.808 30.300 -0.007 0.000 1.215 100 R HN 0.486 nan 8.270 nan 0.000 0.546 101 G N 1.461 110.257 108.800 -0.006 0.000 2.568 101 G HA2 0.372 4.369 3.960 0.061 0.000 0.293 101 G HA3 0.372 4.369 3.960 0.061 0.000 0.293 101 G C -2.412 172.485 174.900 -0.005 0.000 1.347 101 G CA -1.045 44.052 45.100 -0.004 0.000 1.039 101 G HN -0.085 nan 8.290 nan 0.000 0.523 102 P HA 0.234 nan 4.420 nan 0.000 0.277 102 P C -0.197 177.102 177.300 -0.002 0.000 1.240 102 P CA -0.114 62.986 63.100 -0.001 0.000 0.798 102 P CB 0.817 32.518 31.700 0.002 0.000 0.979 103 T N 2.192 116.745 114.554 -0.003 0.000 2.919 103 T HA 0.243 4.629 4.350 0.061 0.000 0.302 103 T C 0.491 175.193 174.700 0.004 0.000 1.031 103 T CA -0.084 62.014 62.100 -0.003 0.000 1.127 103 T CB -0.029 68.835 68.868 -0.008 0.000 0.952 103 T HN 0.178 nan 8.240 nan 0.000 0.540 104 L N 3.452 124.678 121.223 0.006 0.000 2.325 104 L HA 0.331 4.708 4.340 0.061 0.000 0.279 104 L C 1.389 178.275 176.870 0.026 0.000 1.054 104 L CA -0.788 54.062 54.840 0.017 0.000 0.804 104 L CB 0.978 43.049 42.059 0.020 0.000 1.200 104 L HN 0.516 nan 8.230 nan 0.000 0.436 105 L N 2.305 123.547 121.223 0.032 0.000 2.191 105 L HA -0.178 4.199 4.340 0.061 0.000 0.212 105 L C 2.289 179.199 176.870 0.066 0.000 1.103 105 L CA 1.611 56.476 54.840 0.043 0.000 0.769 105 L CB -0.520 41.562 42.059 0.039 0.000 0.908 105 L HN 0.796 nan 8.230 nan 0.000 0.438 106 E N -1.467 118.776 120.200 0.073 0.000 2.516 106 E HA -0.176 4.211 4.350 0.061 0.000 0.199 106 E C 0.174 176.875 176.600 0.169 0.000 1.069 106 E CA 0.206 56.678 56.400 0.120 0.000 0.876 106 E CB -0.521 29.242 29.700 0.105 0.000 0.843 106 E HN 0.365 nan 8.360 nan 0.000 0.530 107 D N 1.196 121.646 120.400 0.083 0.000 2.455 107 D HA -0.048 4.628 4.640 0.061 0.000 0.234 107 D C 0.378 176.678 176.300 0.001 0.000 1.224 107 D CA -0.435 53.565 54.000 -0.000 0.000 0.999 107 D CB -0.175 40.596 40.800 -0.048 0.000 1.072 107 D HN 0.321 nan 8.370 nan 0.000 0.514 108 F N 1.873 121.832 119.950 0.014 0.000 2.456 108 F HA 0.128 4.691 4.527 0.061 0.000 0.298 108 F C 1.567 177.379 175.800 0.020 0.000 1.104 108 F CA 0.007 58.018 58.000 0.018 0.000 1.435 108 F CB -0.598 38.413 39.000 0.017 0.000 1.078 108 F HN 0.170 nan 8.300 nan 0.000 0.546 109 I N 0.426 120.587 120.570 -0.680 0.000 2.233 109 I HA -0.181 4.026 4.170 0.061 0.000 0.243 109 I C 2.476 178.484 176.117 -0.182 0.000 1.093 109 I CA 0.981 62.014 61.300 -0.445 0.000 1.380 109 I CB -0.554 37.122 38.000 -0.540 0.000 1.067 109 I HN 0.261 nan 8.210 nan 0.000 0.413 110 L N 1.172 122.298 121.223 -0.161 0.000 1.989 110 L HA -0.217 4.160 4.340 0.061 0.000 0.211 110 L C 2.636 179.495 176.870 -0.019 0.000 1.071 110 L CA 1.928 56.721 54.840 -0.079 0.000 0.749 110 L CB -0.524 41.494 42.059 -0.068 0.000 0.890 110 L HN 0.062 nan 8.230 nan 0.000 0.431 111 R N -0.698 119.810 120.500 0.013 0.000 2.115 111 R HA -0.146 4.231 4.340 0.061 0.000 0.230 111 R C 2.273 178.628 176.300 0.092 0.000 1.111 111 R CA 1.276 57.413 56.100 0.062 0.000 0.976 111 R CB -0.338 30.014 30.300 0.086 0.000 0.870 111 R HN 0.596 nan 8.270 nan 0.000 0.445 112 E N 1.404 121.661 120.200 0.096 0.000 2.051 112 E HA -0.239 4.148 4.350 0.061 0.000 0.192 112 E C 1.926 178.603 176.600 0.128 0.000 0.991 112 E CA 1.253 57.728 56.400 0.125 0.000 0.799 112 E CB 0.118 29.896 29.700 0.130 0.000 0.748 112 E HN 0.144 nan 8.360 nan 0.000 0.449 113 K N 0.278 120.722 120.400 0.073 0.000 2.026 113 K HA -0.151 4.206 4.320 0.061 0.000 0.208 113 K C 2.123 178.796 176.600 0.122 0.000 1.048 113 K CA 1.434 57.762 56.287 0.068 0.000 0.929 113 K CB -0.049 32.448 32.500 -0.005 0.000 0.713 113 K HN 0.139 nan 8.250 nan 0.000 0.439 114 I N 1.328 121.952 120.570 0.090 0.000 2.315 114 I HA -0.183 4.023 4.170 0.061 0.000 0.248 114 I C 2.148 178.381 176.117 0.192 0.000 1.117 114 I CA 1.368 62.741 61.300 0.122 0.000 1.404 114 I CB -1.474 36.559 38.000 0.056 0.000 1.071 114 I HN 0.244 nan 8.210 nan 0.000 0.419 115 T N -0.338 114.323 114.554 0.178 0.000 2.746 115 T HA -0.204 4.182 4.350 0.061 0.000 0.267 115 T C 1.966 176.820 174.700 0.256 0.000 1.039 115 T CA 1.327 63.558 62.100 0.218 0.000 1.142 115 T CB -0.401 68.595 68.868 0.213 0.000 0.866 115 T HN 0.332 nan 8.240 nan 0.000 0.444 116 H N 0.003 119.173 119.070 0.167 0.000 2.353 116 H HA -0.060 4.533 4.556 0.062 0.000 0.300 116 H C 2.166 177.565 175.328 0.118 0.000 1.090 116 H CA 1.501 57.633 56.048 0.139 0.000 1.327 116 H CB -0.442 29.378 29.762 0.097 0.000 1.383 116 H HN 0.401 nan 8.280 nan 0.000 0.508 117 F N 2.039 122.063 119.950 0.124 0.000 2.126 117 F HA -0.192 4.372 4.527 0.063 0.000 0.299 117 F C 1.895 177.648 175.800 -0.078 0.000 1.096 117 F CA 1.668 59.685 58.000 0.029 0.000 1.255 117 F CB -0.265 38.739 39.000 0.008 0.000 0.997 117 F HN 0.051 nan 8.300 nan 0.000 0.479 118 D N -1.175 119.158 120.400 -0.111 0.000 2.309 118 D HA -0.131 4.546 4.640 0.061 0.000 0.212 118 D C 1.096 176.981 176.300 -0.690 0.000 0.968 118 D CA 1.126 54.876 54.000 -0.418 0.000 0.882 118 D CB -0.340 40.207 40.800 -0.421 0.000 0.918 118 D HN 0.498 nan 8.370 nan 0.000 0.503 119 H N -0.582 118.376 119.070 -0.187 0.000 2.567 119 H HA 0.222 4.815 4.556 0.062 0.000 0.267 119 H C 0.944 176.120 175.328 -0.254 0.000 1.148 119 H CA -0.123 55.811 56.048 -0.189 0.000 1.031 119 H CB 0.541 30.206 29.762 -0.160 0.000 1.691 119 H HN 0.250 nan 8.280 nan 0.000 0.588 120 E N 0.642 120.689 120.200 -0.256 0.000 2.208 120 E HA -0.033 4.354 4.350 0.061 0.000 0.193 120 E C 0.484 176.933 176.600 -0.251 0.000 0.988 120 E CA 0.498 56.721 56.400 -0.295 0.000 0.828 120 E CB 0.476 29.980 29.700 -0.328 0.000 0.763 120 E HN 0.140 nan 8.360 nan 0.000 0.478 121 R N 1.253 121.664 120.500 -0.147 0.000 2.410 121 R HA 0.362 4.739 4.340 0.061 0.000 0.288 121 R C 0.441 176.782 176.300 0.068 0.000 1.051 121 R CA -0.246 55.838 56.100 -0.027 0.000 1.021 121 R CB 0.749 31.025 30.300 -0.041 0.000 1.032 121 R HN 0.160 nan 8.270 nan 0.000 0.481 122 I N -1.009 119.666 120.570 0.174 0.000 2.957 122 I HA 0.611 4.817 4.170 0.061 0.000 0.310 122 I C -2.256 173.929 176.117 0.114 0.000 1.063 122 I CA -2.992 58.401 61.300 0.156 0.000 1.033 122 I CB 1.913 40.040 38.000 0.211 0.000 1.230 122 I HN 0.230 nan 8.210 nan 0.000 0.447 123 P HA 0.131 nan 4.420 nan 0.000 0.271 123 P C -0.932 176.402 177.300 0.058 0.000 1.220 123 P CA -0.108 63.025 63.100 0.054 0.000 0.768 123 P CB 0.489 32.212 31.700 0.037 0.000 0.848 124 E N 3.024 123.261 120.200 0.061 0.000 2.392 124 E HA 0.151 4.538 4.350 0.061 0.000 0.256 124 E C -0.483 176.148 176.600 0.052 0.000 1.145 124 E CA -0.782 55.659 56.400 0.068 0.000 0.929 124 E CB 0.578 30.324 29.700 0.077 0.000 0.998 124 E HN 0.265 nan 8.360 nan 0.000 0.442 125 R N 0.908 121.444 120.500 0.060 0.000 2.640 125 R HA -0.023 4.354 4.340 0.061 0.000 0.270 125 R C 1.322 177.661 176.300 0.065 0.000 1.024 125 R CA -0.395 55.738 56.100 0.055 0.000 1.085 125 R CB 0.195 30.546 30.300 0.085 0.000 0.963 125 R HN 0.565 nan 8.270 nan 0.000 0.426 126 I N 1.746 122.347 120.570 0.052 0.000 2.163 126 I HA -0.158 4.049 4.170 0.061 0.000 0.243 126 I C 1.267 177.442 176.117 0.096 0.000 1.085 126 I CA 1.590 62.931 61.300 0.068 0.000 1.347 126 I CB -1.170 36.875 38.000 0.074 0.000 1.044 126 I HN 0.420 nan 8.210 nan 0.000 0.408 127 V N -3.204 116.802 119.914 0.154 0.000 3.001 127 V HA 0.513 4.669 4.120 0.061 0.000 0.314 127 V C 0.487 176.764 176.094 0.304 0.000 1.099 127 V CA -0.810 61.614 62.300 0.207 0.000 0.989 127 V CB 1.751 33.771 31.823 0.329 0.000 1.040 127 V HN 0.456 nan 8.190 nan 0.000 0.434 128 H N 0.386 119.525 119.070 0.114 0.000 2.899 128 H HA -0.226 4.367 4.556 0.061 0.000 0.282 128 H C 1.581 176.962 175.328 0.088 0.000 1.198 128 H CA 0.769 56.879 56.048 0.103 0.000 1.140 128 H CB -1.250 28.564 29.762 0.086 0.000 1.317 128 H HN 1.162 nan 8.280 nan 0.000 0.375 129 A N 0.855 123.773 122.820 0.163 0.000 2.024 129 A HA -0.131 4.226 4.320 0.061 0.000 0.220 129 A C 1.694 179.372 177.584 0.157 0.000 1.164 129 A CA 1.468 53.587 52.037 0.137 0.000 0.643 129 A CB -0.133 18.926 19.000 0.099 0.000 0.806 129 A HN 0.300 nan 8.150 nan 0.000 0.451 130 R N 0.004 120.598 120.500 0.156 0.000 2.202 130 R HA 0.515 4.891 4.340 0.061 0.000 0.334 130 R C -0.109 176.322 176.300 0.218 0.000 1.036 130 R CA 0.757 56.967 56.100 0.183 0.000 0.878 130 R CB 0.350 30.743 30.300 0.156 0.000 1.067 130 R HN 0.321 nan 8.270 nan 0.000 0.457 131 G N 0.817 109.771 108.800 0.257 0.000 2.646 131 G HA2 0.505 4.501 3.960 0.061 0.000 0.291 131 G HA3 0.505 4.501 3.960 0.061 0.000 0.291 131 G C -1.613 173.444 174.900 0.262 0.000 1.445 131 G CA -0.629 44.589 45.100 0.195 0.000 0.814 131 G HN 0.489 nan 8.290 nan 0.000 0.495 132 S N -1.018 114.773 115.700 0.151 0.000 2.538 132 S HA 0.874 5.381 4.470 0.061 0.000 0.288 132 S C -0.163 174.416 174.600 -0.035 0.000 1.108 132 S CA -0.163 58.173 58.200 0.226 0.000 0.971 132 S CB 1.704 65.148 63.200 0.406 0.000 1.041 132 S HN 1.527 nan 8.310 nan 0.000 0.483 133 A N 1.655 124.413 122.820 -0.103 0.000 2.469 133 A HA 1.029 5.386 4.320 0.061 0.000 0.299 133 A C -0.854 176.509 177.584 -0.368 0.000 1.098 133 A CA -0.737 51.017 52.037 -0.472 0.000 0.737 133 A CB 1.626 20.186 19.000 -0.733 0.000 1.312 133 A HN 1.310 nan 8.150 nan 0.000 0.414 134 A N 0.574 123.025 122.820 -0.616 0.000 2.606 134 A HA 0.721 5.078 4.320 0.061 0.000 0.293 134 A C -1.046 176.336 177.584 -0.338 0.000 1.082 134 A CA -0.668 51.180 52.037 -0.316 0.000 0.685 134 A CB 0.730 19.636 19.000 -0.157 0.000 1.284 134 A HN 0.885 nan 8.150 nan 0.000 0.408 135 H N -0.308 118.778 119.070 0.028 0.000 2.505 135 H HA 0.668 5.261 4.556 0.061 0.000 0.355 135 H C 0.640 175.959 175.328 -0.015 0.000 1.179 135 H CA 0.920 57.035 56.048 0.111 0.000 1.343 135 H CB 1.767 31.591 29.762 0.105 0.000 1.501 135 H HN 1.163 nan 8.280 nan 0.000 0.569 136 G N 0.566 109.455 108.800 0.149 0.000 2.435 136 G HA2 0.343 4.340 3.960 0.061 0.000 0.296 136 G HA3 0.343 4.340 3.960 0.061 0.000 0.296 136 G C -2.083 172.927 174.900 0.184 0.000 1.240 136 G CA -0.667 44.479 45.100 0.077 0.000 0.872 136 G HN 0.629 nan 8.290 nan 0.000 0.480 137 Y N -1.818 118.516 120.300 0.057 0.000 2.597 137 Y HA 0.853 5.439 4.550 0.061 0.000 0.340 137 Y C -1.663 174.370 175.900 0.221 0.000 1.097 137 Y CA -1.974 56.203 58.100 0.129 0.000 1.037 137 Y CB 1.952 40.461 38.460 0.081 0.000 1.305 137 Y HN 0.859 nan 8.280 nan 0.000 0.463 138 F N 2.674 122.764 119.950 0.234 0.000 2.576 138 F HA 0.662 5.227 4.527 0.063 0.000 0.313 138 F C -1.499 174.492 175.800 0.319 0.000 1.078 138 F CA -0.537 57.608 58.000 0.243 0.000 0.921 138 F CB 2.271 41.547 39.000 0.461 0.000 1.232 138 F HN 0.812 nan 8.300 nan 0.000 0.459 139 Q N 5.730 124.952 119.800 -0.963 0.000 2.353 139 Q HA 0.567 4.944 4.340 0.061 0.000 0.275 139 Q C -3.341 171.974 176.000 -1.143 0.000 1.029 139 Q CA -2.207 53.143 55.803 -0.754 0.000 0.848 139 Q CB 2.915 31.559 28.738 -0.157 0.000 1.390 139 Q HN 0.321 nan 8.270 nan 0.000 0.401 140 P HA 0.078 nan 4.420 nan 0.000 0.274 140 P C -0.442 176.705 177.300 -0.254 0.000 1.237 140 P CA -0.124 62.723 63.100 -0.422 0.000 0.793 140 P CB 0.595 32.218 31.700 -0.129 0.000 0.977 141 Y N 0.202 120.443 120.300 -0.099 0.000 2.365 141 Y HA -0.013 4.574 4.550 0.062 0.000 0.293 141 Y C 1.439 177.312 175.900 -0.045 0.000 1.119 141 Y CA 0.483 58.545 58.100 -0.062 0.000 1.203 141 Y CB 0.317 38.750 38.460 -0.045 0.000 1.026 141 Y HN 0.346 nan 8.280 nan 0.000 0.549 142 K N -1.030 119.431 120.400 0.102 0.000 2.579 142 K HA 0.370 4.726 4.320 0.061 0.000 0.284 142 K C -0.959 175.646 176.600 0.008 0.000 0.990 142 K CA -0.919 55.397 56.287 0.049 0.000 0.880 142 K CB 1.557 34.088 32.500 0.051 0.000 1.488 142 K HN -0.235 nan 8.250 nan 0.000 0.425 143 S N 1.130 116.832 115.700 0.002 0.000 2.537 143 S HA 0.132 4.639 4.470 0.061 0.000 0.286 143 S C 0.493 175.081 174.600 -0.019 0.000 1.299 143 S CA -0.605 57.587 58.200 -0.014 0.000 1.067 143 S CB -0.147 63.049 63.200 -0.007 0.000 0.864 143 S HN 0.563 nan 8.310 nan 0.000 0.494 144 L N 4.750 125.951 121.223 -0.038 0.000 2.791 144 L HA 0.112 4.489 4.340 0.061 0.000 0.239 144 L C 2.086 178.938 176.870 -0.029 0.000 1.203 144 L CA 0.026 54.850 54.840 -0.027 0.000 1.002 144 L CB -0.359 41.684 42.059 -0.027 0.000 1.295 144 L HN 0.860 nan 8.230 nan 0.000 0.504 145 S N -1.633 114.048 115.700 -0.032 0.000 2.440 145 S HA -0.204 4.302 4.470 0.061 0.000 0.238 145 S C 1.291 175.874 174.600 -0.029 0.000 1.010 145 S CA 1.160 59.340 58.200 -0.033 0.000 0.972 145 S CB -0.204 62.981 63.200 -0.024 0.000 0.774 145 S HN 0.401 nan 8.310 nan 0.000 0.501 146 D N 2.166 122.554 120.400 -0.020 0.000 2.178 146 D HA -0.042 4.635 4.640 0.061 0.000 0.201 146 D C 1.847 178.130 176.300 -0.027 0.000 0.980 146 D CA 1.599 55.588 54.000 -0.019 0.000 0.842 146 D CB -0.232 40.563 40.800 -0.008 0.000 0.948 146 D HN 0.807 nan 8.370 nan 0.000 0.472 147 I N -4.381 116.174 120.570 -0.026 0.000 4.187 147 I HA 0.228 4.434 4.170 0.061 0.000 0.326 147 I C 0.390 176.465 176.117 -0.070 0.000 1.302 147 I CA 0.019 61.295 61.300 -0.039 0.000 1.196 147 I CB 1.164 39.163 38.000 -0.002 0.000 1.095 147 I HN -0.241 nan 8.210 nan 0.000 0.411 148 T N 1.655 116.170 114.554 -0.065 0.000 2.982 148 T HA 0.317 4.703 4.350 0.061 0.000 0.321 148 T C -0.147 174.500 174.700 -0.089 0.000 1.229 148 T CA -0.702 61.341 62.100 -0.095 0.000 1.044 148 T CB 1.755 70.556 68.868 -0.110 0.000 1.184 148 T HN 0.429 nan 8.240 nan 0.000 0.477 149 K N 2.413 122.758 120.400 -0.091 0.000 2.387 149 K HA 0.592 4.949 4.320 0.061 0.000 0.198 149 K C 0.727 177.288 176.600 -0.064 0.000 1.022 149 K CA -0.391 55.856 56.287 -0.068 0.000 1.128 149 K CB 0.327 32.792 32.500 -0.059 0.000 0.853 149 K HN 0.493 nan 8.250 nan 0.000 0.523 150 A N 2.094 124.854 122.820 -0.100 0.000 2.548 150 A HA -0.054 4.302 4.320 0.061 0.000 0.247 150 A C 0.546 178.096 177.584 -0.057 0.000 1.067 150 A CA 0.089 52.078 52.037 -0.079 0.000 0.757 150 A CB 0.148 19.035 19.000 -0.188 0.000 0.996 150 A HN 0.456 nan 8.150 nan 0.000 0.504 151 D N 1.927 122.368 120.400 0.068 0.000 2.144 151 D HA -0.189 4.487 4.640 0.061 0.000 0.200 151 D C 1.329 177.700 176.300 0.118 0.000 0.978 151 D CA 1.971 56.021 54.000 0.083 0.000 0.833 151 D CB -0.224 40.647 40.800 0.118 0.000 0.961 151 D HN 0.710 nan 8.370 nan 0.000 0.470 152 F N -0.529 119.444 119.950 0.037 0.000 2.641 152 F HA 0.164 4.728 4.527 0.062 0.000 0.298 152 F C 0.939 176.835 175.800 0.159 0.000 1.146 152 F CA 0.445 58.509 58.000 0.107 0.000 1.464 152 F CB -0.160 38.892 39.000 0.088 0.000 1.101 152 F HN -0.050 nan 8.300 nan 0.000 0.585 153 L N 0.678 121.623 121.223 -0.463 0.000 2.857 153 L HA 0.202 4.579 4.340 0.061 0.000 0.249 153 L C 1.819 178.600 176.870 -0.149 0.000 1.172 153 L CA 0.376 54.989 54.840 -0.379 0.000 0.980 153 L CB 0.031 41.730 42.059 -0.599 0.000 1.299 153 L HN 0.328 nan 8.230 nan 0.000 0.535 154 S N -2.512 113.144 115.700 -0.072 0.000 2.517 154 S HA 0.067 4.573 4.470 0.061 0.000 0.214 154 S C 0.356 174.951 174.600 -0.007 0.000 0.991 154 S CA -0.131 58.048 58.200 -0.034 0.000 0.906 154 S CB 0.250 63.442 63.200 -0.013 0.000 0.789 154 S HN 0.323 nan 8.310 nan 0.000 0.513 155 D N 0.789 121.194 120.400 0.008 0.000 2.861 155 D HA 0.311 4.988 4.640 0.061 0.000 0.216 155 D C -2.634 173.676 176.300 0.017 0.000 1.323 155 D CA -1.726 52.285 54.000 0.018 0.000 0.917 155 D CB 2.194 43.012 40.800 0.031 0.000 1.582 155 D HN -0.123 nan 8.370 nan 0.000 0.576 156 P HA 0.023 nan 4.420 nan 0.000 0.234 156 P C 0.193 177.501 177.300 0.013 0.000 1.167 156 P CA 0.411 63.514 63.100 0.005 0.000 0.763 156 P CB 0.451 32.167 31.700 0.028 0.000 0.835 157 N N -0.206 118.509 118.700 0.025 0.000 2.214 157 N HA 0.090 4.866 4.740 0.061 0.000 0.214 157 N C 0.197 175.732 175.510 0.042 0.000 1.132 157 N CA 0.041 53.108 53.050 0.030 0.000 0.856 157 N CB 0.724 39.226 38.487 0.025 0.000 1.020 157 N HN 0.230 nan 8.380 nan 0.000 0.509 158 K N 1.367 121.802 120.400 0.060 0.000 2.263 158 K HA 0.398 4.755 4.320 0.061 0.000 0.272 158 K C -0.173 176.509 176.600 0.137 0.000 1.033 158 K CA -0.385 55.957 56.287 0.093 0.000 0.884 158 K CB 1.691 34.255 32.500 0.107 0.000 1.107 158 K HN -0.042 nan 8.250 nan 0.000 0.460 159 I N 2.165 122.817 120.570 0.137 0.000 2.396 159 I HA 0.109 4.315 4.170 0.061 0.000 0.292 159 I C 0.234 176.512 176.117 0.267 0.000 0.999 159 I CA -0.067 61.348 61.300 0.192 0.000 1.310 159 I CB 1.514 39.577 38.000 0.105 0.000 1.404 159 I HN 0.393 nan 8.210 nan 0.000 0.496 160 T N 7.165 121.962 114.554 0.406 0.000 2.791 160 T HA 0.355 4.741 4.350 0.061 0.000 0.288 160 T C -2.455 172.507 174.700 0.435 0.000 0.999 160 T CA -1.340 61.029 62.100 0.449 0.000 0.952 160 T CB 1.569 70.824 68.868 0.645 0.000 0.938 160 T HN 0.232 nan 8.240 nan 0.000 0.444 161 P HA 0.262 nan 4.420 nan 0.000 0.269 161 P C -0.684 176.853 177.300 0.394 0.000 1.215 161 P CA -0.436 62.860 63.100 0.327 0.000 0.780 161 P CB 0.550 32.368 31.700 0.197 0.000 0.898 162 V N -0.698 119.389 119.914 0.289 0.000 3.040 162 V HA 0.732 4.889 4.120 0.061 0.000 0.312 162 V C -1.353 174.903 176.094 0.270 0.000 1.115 162 V CA -0.925 61.453 62.300 0.128 0.000 0.998 162 V CB 2.204 33.879 31.823 -0.247 0.000 1.042 162 V HN 0.319 nan 8.190 nan 0.000 0.433 163 F N 2.079 122.020 119.950 -0.016 0.000 2.539 163 F HA 0.844 5.407 4.527 0.060 0.000 0.318 163 F C -0.848 174.845 175.800 -0.179 0.000 1.135 163 F CA -0.788 57.135 58.000 -0.129 0.000 0.915 163 F CB 1.988 40.943 39.000 -0.076 0.000 1.176 163 F HN 0.525 nan 8.300 nan 0.000 0.440 164 V N 6.617 126.042 119.914 -0.814 0.000 2.495 164 V HA 0.557 4.714 4.120 0.061 0.000 0.298 164 V C -0.637 174.756 176.094 -1.167 0.000 1.031 164 V CA -0.833 60.922 62.300 -0.908 0.000 0.871 164 V CB 1.951 33.182 31.823 -0.987 0.000 0.988 164 V HN 0.720 nan 8.190 nan 0.000 0.432 165 R N 3.513 123.335 120.500 -1.130 0.000 2.393 165 R HA 0.615 4.991 4.340 0.061 0.000 0.315 165 R C -1.423 174.238 176.300 -1.066 0.000 0.952 165 R CA -0.410 55.111 56.100 -0.966 0.000 0.842 165 R CB 1.019 30.927 30.300 -0.653 0.000 1.163 165 R HN 0.551 nan 8.270 nan 0.000 0.450 166 F N 1.764 121.278 119.950 -0.726 0.000 2.403 166 F HA 0.509 5.073 4.527 0.063 0.000 0.326 166 F C 0.602 176.047 175.800 -0.592 0.000 1.081 166 F CA -0.159 57.304 58.000 -0.894 0.000 1.041 166 F CB 1.962 39.926 39.000 -1.728 0.000 1.234 166 F HN 0.563 nan 8.300 nan 0.000 0.503 167 S N -1.296 114.336 115.700 -0.113 0.000 2.588 167 S HA 0.612 5.119 4.470 0.061 0.000 0.269 167 S C -0.575 174.188 174.600 0.270 0.000 1.157 167 S CA -0.874 57.410 58.200 0.141 0.000 0.824 167 S CB 1.286 64.610 63.200 0.206 0.000 1.126 167 S HN 0.756 nan 8.310 nan 0.000 0.464 168 T N -1.494 113.208 114.554 0.247 0.000 2.865 168 T HA 0.668 5.055 4.350 0.061 0.000 0.302 168 T C 0.776 175.447 174.700 -0.047 0.000 1.078 168 T CA -0.071 62.125 62.100 0.161 0.000 0.942 168 T CB 0.302 69.268 68.868 0.162 0.000 1.387 168 T HN 0.641 nan 8.240 nan 0.000 0.557 169 V N -0.120 119.724 119.914 -0.117 0.000 3.058 169 V HA 0.151 4.308 4.120 0.061 0.000 0.233 169 V C 2.622 178.647 176.094 -0.115 0.000 1.255 169 V CA 0.356 62.458 62.300 -0.329 0.000 1.267 169 V CB 0.020 31.731 31.823 -0.188 0.000 1.049 169 V HN 0.882 nan 8.190 nan 0.000 0.486 170 Q N 0.976 120.745 119.800 -0.051 0.000 2.226 170 Q HA 0.137 4.514 4.340 0.061 0.000 0.199 170 Q C 1.242 177.224 176.000 -0.030 0.000 0.945 170 Q CA 1.175 56.946 55.803 -0.053 0.000 0.861 170 Q CB 0.196 28.887 28.738 -0.080 0.000 0.953 170 Q HN 0.572 nan 8.270 nan 0.000 0.490 171 G N -0.003 108.793 108.800 -0.007 0.000 2.572 171 G HA2 0.414 4.411 3.960 0.061 0.000 0.261 171 G HA3 0.414 4.411 3.960 0.061 0.000 0.261 171 G C 0.115 175.027 174.900 0.020 0.000 1.197 171 G CA 0.055 45.156 45.100 0.001 0.000 0.870 171 G HN 0.308 nan 8.290 nan 0.000 0.548 172 G N -1.167 107.640 108.800 0.012 0.000 2.684 172 G HA2 0.465 4.462 3.960 0.061 0.000 0.255 172 G HA3 0.465 4.462 3.960 0.061 0.000 0.255 172 G C 1.352 176.285 174.900 0.055 0.000 1.219 172 G CA 0.459 45.576 45.100 0.027 0.000 0.901 172 G HN 1.096 nan 8.290 nan 0.000 0.548 173 A N -0.295 122.569 122.820 0.072 0.000 2.024 173 A HA 0.083 4.439 4.320 0.061 0.000 0.220 173 A C 2.228 179.853 177.584 0.068 0.000 1.164 173 A CA 2.012 54.110 52.037 0.101 0.000 0.643 173 A CB -0.388 18.691 19.000 0.131 0.000 0.806 173 A HN 1.167 nan 8.150 nan 0.000 0.451 174 G N -0.185 108.636 108.800 0.035 0.000 3.371 174 G HA2 0.349 4.345 3.960 0.061 0.000 0.248 174 G HA3 0.349 4.345 3.960 0.061 0.000 0.248 174 G C 0.635 175.540 174.900 0.007 0.000 1.161 174 G CA 0.618 45.723 45.100 0.009 0.000 0.796 174 G HN 0.630 nan 8.290 nan 0.000 0.539 175 S N -0.271 115.443 115.700 0.023 0.000 2.661 175 S HA 0.767 5.274 4.470 0.061 0.000 0.265 175 S C 0.472 175.088 174.600 0.028 0.000 1.225 175 S CA -0.165 58.045 58.200 0.016 0.000 0.986 175 S CB 1.577 64.789 63.200 0.020 0.000 1.008 175 S HN 0.511 nan 8.310 nan 0.000 0.565 176 A N -0.025 122.808 122.820 0.021 0.000 2.271 176 A HA 0.470 4.827 4.320 0.061 0.000 0.288 176 A C 0.586 178.195 177.584 0.042 0.000 1.094 176 A CA -0.579 51.467 52.037 0.016 0.000 0.828 176 A CB -0.083 18.909 19.000 -0.013 0.000 1.091 176 A HN 0.832 nan 8.150 nan 0.000 0.493 177 D N 0.196 120.608 120.400 0.021 0.000 2.103 177 D HA -0.065 4.611 4.640 0.061 0.000 0.199 177 D C 1.663 177.942 176.300 -0.036 0.000 0.978 177 D CA 2.302 56.316 54.000 0.025 0.000 0.829 177 D CB -0.245 40.520 40.800 -0.059 0.000 0.981 177 D HN 0.670 nan 8.370 nan 0.000 0.464 178 T N -0.324 114.140 114.554 -0.150 0.000 3.330 178 T HA 0.281 4.667 4.350 0.061 0.000 0.249 178 T C 0.807 175.503 174.700 -0.006 0.000 0.980 178 T CA -0.563 61.443 62.100 -0.157 0.000 0.920 178 T CB -0.915 67.785 68.868 -0.279 0.000 1.065 178 T HN -0.067 nan 8.240 nan 0.000 0.588 179 V N -1.107 118.850 119.914 0.072 0.000 3.237 179 V HA 0.418 4.575 4.120 0.061 0.000 0.305 179 V C 0.697 176.938 176.094 0.245 0.000 1.096 179 V CA -1.357 61.041 62.300 0.163 0.000 1.130 179 V CB 0.363 32.263 31.823 0.128 0.000 1.048 179 V HN 0.558 nan 8.190 nan 0.000 0.484 180 R N 1.772 122.470 120.500 0.330 0.000 2.267 180 R HA 0.469 4.846 4.340 0.061 0.000 0.319 180 R C -0.974 175.405 176.300 0.131 0.000 1.067 180 R CA -0.054 56.182 56.100 0.227 0.000 0.936 180 R CB 0.216 30.570 30.300 0.091 0.000 1.006 180 R HN 1.069 nan 8.270 nan 0.000 0.452 181 D N 3.444 123.934 120.400 0.149 0.000 2.742 181 D HA 0.150 4.827 4.640 0.061 0.000 0.262 181 D C -0.515 175.899 176.300 0.190 0.000 1.240 181 D CA -0.634 53.445 54.000 0.132 0.000 0.752 181 D CB 1.145 42.011 40.800 0.109 0.000 1.290 181 D HN 0.228 nan 8.370 nan 0.000 0.420 182 I N 1.432 122.135 120.570 0.222 0.000 2.892 182 I HA 0.133 4.340 4.170 0.061 0.000 0.287 182 I C 0.921 177.177 176.117 0.232 0.000 1.205 182 I CA 0.203 61.644 61.300 0.236 0.000 1.409 182 I CB -0.154 38.026 38.000 0.300 0.000 1.367 182 I HN 0.263 nan 8.210 nan 0.000 0.597 183 R N 2.856 123.516 120.500 0.267 0.000 2.589 183 R HA 0.562 4.939 4.340 0.061 0.000 0.293 183 R C -0.015 176.484 176.300 0.331 0.000 0.963 183 R CA -0.759 55.521 56.100 0.301 0.000 0.905 183 R CB 1.519 32.023 30.300 0.340 0.000 1.144 183 R HN 0.812 nan 8.270 nan 0.000 0.459 184 G N 0.860 109.876 108.800 0.359 0.000 2.476 184 G HA2 0.470 4.467 3.960 0.061 0.000 0.286 184 G HA3 0.470 4.467 3.960 0.061 0.000 0.286 184 G C -1.251 173.752 174.900 0.172 0.000 1.177 184 G CA -0.023 45.275 45.100 0.329 0.000 0.870 184 G HN 0.362 nan 8.290 nan 0.000 0.528 185 F N 1.536 121.403 119.950 -0.137 0.000 3.228 185 F HA 0.613 5.176 4.527 0.060 0.000 0.385 185 F C -0.267 175.248 175.800 -0.475 0.000 1.247 185 F CA -1.780 56.036 58.000 -0.305 0.000 1.211 185 F CB 0.842 39.787 39.000 -0.092 0.000 1.719 185 F HN 0.674 nan 8.300 nan 0.000 0.630 186 A N 3.157 125.707 122.820 -0.450 0.000 2.288 186 A HA 0.784 5.140 4.320 0.061 0.000 0.320 186 A C -0.546 176.584 177.584 -0.755 0.000 1.217 186 A CA -0.424 51.182 52.037 -0.718 0.000 0.840 186 A CB 0.742 18.949 19.000 -1.321 0.000 1.179 186 A HN 0.522 nan 8.150 nan 0.000 0.504 187 T N 2.421 116.711 114.554 -0.441 0.000 2.809 187 T HA 0.375 4.762 4.350 0.061 0.000 0.284 187 T C -0.308 174.208 174.700 -0.307 0.000 0.992 187 T CA -0.487 61.360 62.100 -0.422 0.000 0.957 187 T CB 1.012 69.564 68.868 -0.527 0.000 0.942 187 T HN 0.643 nan 8.240 nan 0.000 0.439 188 K N 3.579 123.875 120.400 -0.173 0.000 2.253 188 K HA 0.448 4.805 4.320 0.061 0.000 0.277 188 K C -1.290 174.974 176.600 -0.560 0.000 1.053 188 K CA -0.567 55.523 56.287 -0.328 0.000 0.892 188 K CB 0.338 32.584 32.500 -0.422 0.000 1.102 188 K HN 0.384 nan 8.250 nan 0.000 0.469 189 F N 4.158 123.802 119.950 -0.510 0.000 2.404 189 F HA 0.252 4.814 4.527 0.059 0.000 0.354 189 F C -0.486 175.096 175.800 -0.364 0.000 1.122 189 F CA -0.612 57.161 58.000 -0.379 0.000 1.080 189 F CB 0.838 39.529 39.000 -0.515 0.000 1.131 189 F HN 0.439 nan 8.300 nan 0.000 0.471 190 Y N 1.756 122.122 120.300 0.110 0.000 2.802 190 Y HA 0.236 4.822 4.550 0.061 0.000 0.330 190 Y C 0.950 176.909 175.900 0.098 0.000 1.193 190 Y CA -0.904 57.237 58.100 0.068 0.000 1.427 190 Y CB 0.010 38.499 38.460 0.049 0.000 1.357 190 Y HN 0.550 nan 8.280 nan 0.000 0.501 191 T N -2.492 112.158 114.554 0.159 0.000 2.849 191 T HA 0.154 4.541 4.350 0.061 0.000 0.284 191 T C 0.984 175.777 174.700 0.155 0.000 1.004 191 T CA -0.698 61.503 62.100 0.167 0.000 1.021 191 T CB 1.045 69.985 68.868 0.119 0.000 1.013 191 T HN 0.648 nan 8.240 nan 0.000 0.527 192 E N 0.166 120.462 120.200 0.160 0.000 2.472 192 E HA -0.047 4.339 4.350 0.061 0.000 0.200 192 E C 0.933 177.598 176.600 0.109 0.000 1.046 192 E CA 0.684 57.159 56.400 0.125 0.000 0.871 192 E CB 0.100 29.870 29.700 0.116 0.000 0.806 192 E HN 0.747 nan 8.360 nan 0.000 0.533 193 E N 0.078 120.345 120.200 0.112 0.000 2.693 193 E HA 0.267 4.654 4.350 0.061 0.000 0.214 193 E C 0.184 176.831 176.600 0.079 0.000 0.990 193 E CA -0.228 56.230 56.400 0.096 0.000 1.047 193 E CB 1.419 31.178 29.700 0.099 0.000 1.039 193 E HN 0.176 nan 8.360 nan 0.000 0.475 194 G N 1.081 109.922 108.800 0.069 0.000 2.340 194 G HA2 -0.062 3.934 3.960 0.061 0.000 0.527 194 G HA3 -0.062 3.934 3.960 0.061 0.000 0.527 194 G C -1.051 173.855 174.900 0.009 0.000 1.381 194 G CA -1.114 44.004 45.100 0.030 0.000 1.001 194 G HN 0.015 nan 8.290 nan 0.000 0.626 195 I N 0.624 121.166 120.570 -0.048 0.000 2.496 195 I HA 0.370 4.576 4.170 0.061 0.000 0.285 195 I C -0.137 175.979 176.117 -0.003 0.000 1.080 195 I CA -0.010 61.234 61.300 -0.093 0.000 1.404 195 I CB 0.959 38.837 38.000 -0.204 0.000 1.403 195 I HN 0.443 nan 8.210 nan 0.000 0.539 196 F N 6.630 126.457 119.950 -0.205 0.000 2.427 196 F HA 0.429 4.991 4.527 0.059 0.000 0.348 196 F C -0.579 175.164 175.800 -0.095 0.000 1.125 196 F CA -1.286 56.582 58.000 -0.220 0.000 0.989 196 F CB 0.741 39.425 39.000 -0.526 0.000 1.165 196 F HN 0.336 nan 8.300 nan 0.000 0.442 197 D N 7.090 127.296 120.400 -0.324 0.000 2.329 197 D HA 0.240 4.917 4.640 0.061 0.000 0.232 197 D C -0.612 175.218 176.300 -0.785 0.000 1.088 197 D CA 0.021 53.770 54.000 -0.418 0.000 0.835 197 D CB 2.248 42.998 40.800 -0.084 0.000 1.078 197 D HN 0.628 nan 8.370 nan 0.000 0.495 198 L N 3.052 123.765 121.223 -0.850 0.000 2.264 198 L HA 0.329 4.706 4.340 0.061 0.000 0.287 198 L C -1.100 175.544 176.870 -0.377 0.000 1.039 198 L CA -0.644 53.752 54.840 -0.740 0.000 0.829 198 L CB 0.796 42.412 42.059 -0.739 0.000 1.211 198 L HN 0.035 nan 8.230 nan 0.000 0.427 199 V N 5.685 125.424 119.914 -0.292 0.000 2.259 199 V HA 0.544 4.701 4.120 0.061 0.000 0.267 199 V C 0.726 176.733 176.094 -0.145 0.000 1.051 199 V CA -0.302 61.844 62.300 -0.257 0.000 0.830 199 V CB 0.639 32.262 31.823 -0.332 0.000 1.080 199 V HN 0.858 nan 8.190 nan 0.000 0.467 200 G N 3.217 111.950 108.800 -0.112 0.000 2.932 200 G HA2 0.670 4.666 3.960 0.061 0.000 0.283 200 G HA3 0.670 4.666 3.960 0.061 0.000 0.283 200 G C -0.907 174.031 174.900 0.063 0.000 1.336 200 G CA -0.590 44.501 45.100 -0.015 0.000 1.056 200 G HN 0.470 nan 8.290 nan 0.000 0.522 201 N N -1.013 117.765 118.700 0.131 0.000 2.966 201 N HA 0.248 5.025 4.740 0.061 0.000 0.314 201 N C 0.414 176.102 175.510 0.298 0.000 1.397 201 N CA -0.743 52.442 53.050 0.226 0.000 0.776 201 N CB 1.287 39.896 38.487 0.203 0.000 1.576 201 N HN 0.535 nan 8.380 nan 0.000 0.592 202 N N -1.256 117.636 118.700 0.320 0.000 2.314 202 N HA -0.004 4.773 4.740 0.061 0.000 0.200 202 N C -0.434 175.316 175.510 0.399 0.000 1.135 202 N CA -0.076 53.211 53.050 0.395 0.000 0.835 202 N CB -0.151 38.549 38.487 0.354 0.000 0.989 202 N HN 0.549 nan 8.380 nan 0.000 0.478 203 T N -3.702 110.913 114.554 0.102 0.000 2.906 203 T HA 0.477 4.863 4.350 0.061 0.000 0.295 203 T C -2.720 171.382 174.700 -0.997 0.000 1.075 203 T CA -1.572 60.153 62.100 -0.626 0.000 1.005 203 T CB 2.893 71.260 68.868 -0.835 0.000 1.136 203 T HN -0.227 nan 8.240 nan 0.000 0.498 204 P HA 0.252 nan 4.420 nan 0.000 0.257 204 P C 0.194 176.988 177.300 -0.843 0.000 1.281 204 P CA -0.059 62.157 63.100 -1.473 0.000 0.826 204 P CB -0.145 30.595 31.700 -1.599 0.000 1.237 205 I N -4.432 115.630 120.570 -0.847 0.000 3.354 205 I HA 0.566 4.772 4.170 0.061 0.000 0.316 205 I C -1.448 174.417 176.117 -0.421 0.000 1.182 205 I CA -1.964 58.978 61.300 -0.596 0.000 0.942 205 I CB 1.312 38.909 38.000 -0.672 0.000 1.299 205 I HN -0.234 nan 8.210 nan 0.000 0.473 206 F N 0.015 119.685 119.950 -0.468 0.000 2.618 206 F HA 0.524 5.090 4.527 0.063 0.000 0.332 206 F C 0.323 175.883 175.800 -0.400 0.000 1.061 206 F CA -0.755 57.009 58.000 -0.394 0.000 0.974 206 F CB 2.003 40.905 39.000 -0.163 0.000 1.310 206 F HN 0.366 nan 8.300 nan 0.000 0.491 207 F N 2.261 121.377 119.950 -1.390 0.000 2.293 207 F HA 0.027 4.590 4.527 0.060 0.000 0.300 207 F C 0.668 176.161 175.800 -0.511 0.000 1.086 207 F CA 0.924 58.329 58.000 -0.992 0.000 1.375 207 F CB -0.164 37.845 39.000 -1.651 0.000 1.045 207 F HN 0.147 nan 8.300 nan 0.000 0.516 208 I N -3.758 116.767 120.570 -0.075 0.000 3.042 208 I HA 0.372 4.579 4.170 0.061 0.000 0.310 208 I C 0.321 176.580 176.117 0.238 0.000 1.117 208 I CA -0.853 60.525 61.300 0.129 0.000 1.003 208 I CB 1.916 40.051 38.000 0.225 0.000 1.228 208 I HN -0.209 nan 8.210 nan 0.000 0.443 209 Q N 0.248 120.192 119.800 0.239 0.000 2.324 209 Q HA 0.160 4.537 4.340 0.061 0.000 0.207 209 Q C -0.320 175.850 176.000 0.285 0.000 0.928 209 Q CA 0.632 56.619 55.803 0.306 0.000 0.890 209 Q CB 0.565 29.545 28.738 0.404 0.000 1.001 209 Q HN 0.646 nan 8.270 nan 0.000 0.517 210 D N -1.209 119.330 120.400 0.232 0.000 2.649 210 D HA 0.294 4.970 4.640 0.061 0.000 0.249 210 D C -0.008 176.413 176.300 0.201 0.000 1.112 210 D CA -0.196 53.911 54.000 0.179 0.000 0.850 210 D CB 1.861 42.740 40.800 0.133 0.000 1.399 210 D HN 0.047 nan 8.370 nan 0.000 0.503 211 A N 3.245 126.153 122.820 0.147 0.000 2.084 211 A HA -0.254 4.103 4.320 0.061 0.000 0.221 211 A C 1.759 179.450 177.584 0.179 0.000 1.161 211 A CA 1.788 53.902 52.037 0.129 0.000 0.653 211 A CB -0.776 18.246 19.000 0.036 0.000 0.802 211 A HN 0.806 nan 8.150 nan 0.000 0.457 212 H N -0.245 118.882 119.070 0.095 0.000 2.489 212 H HA 0.029 4.620 4.556 0.059 0.000 0.293 212 H C 1.618 177.021 175.328 0.125 0.000 1.066 212 H CA 1.773 57.869 56.048 0.080 0.000 1.305 212 H CB 0.061 29.846 29.762 0.039 0.000 1.386 212 H HN 0.401 nan 8.280 nan 0.000 0.551 213 K N -0.629 119.886 120.400 0.192 0.000 2.404 213 K HA -0.030 4.327 4.320 0.061 0.000 0.194 213 K C 1.311 178.045 176.600 0.222 0.000 1.023 213 K CA -0.059 56.346 56.287 0.197 0.000 1.094 213 K CB 0.087 32.756 32.500 0.282 0.000 0.841 213 K HN 0.283 nan 8.250 nan 0.000 0.523 214 F N 2.844 122.842 119.950 0.080 0.000 2.091 214 F HA -0.168 4.396 4.527 0.061 0.000 0.299 214 F C -1.004 174.804 175.800 0.013 0.000 1.103 214 F CA 1.472 59.542 58.000 0.117 0.000 1.228 214 F CB -0.385 38.673 39.000 0.097 0.000 0.984 214 F HN 0.029 nan 8.300 nan 0.000 0.477 215 P HA -0.117 nan 4.420 nan 0.000 0.221 215 P C 0.949 177.942 177.300 -0.512 0.000 1.150 215 P CA 1.584 64.453 63.100 -0.384 0.000 0.800 215 P CB -0.054 31.428 31.700 -0.364 0.000 0.787 216 D N -1.106 119.140 120.400 -0.256 0.000 2.097 216 D HA -0.161 4.515 4.640 0.061 0.000 0.197 216 D C 1.805 177.837 176.300 -0.446 0.000 0.984 216 D CA 1.073 54.964 54.000 -0.181 0.000 0.826 216 D CB -0.842 40.031 40.800 0.122 0.000 0.973 216 D HN 0.165 nan 8.370 nan 0.000 0.460 217 F N 1.866 121.417 119.950 -0.665 0.000 2.102 217 F HA -0.230 4.333 4.527 0.060 0.000 0.298 217 F C 2.272 177.682 175.800 -0.650 0.000 1.105 217 F CA 1.182 58.580 58.000 -1.004 0.000 1.239 217 F CB -0.136 38.494 39.000 -0.617 0.000 0.991 217 F HN -0.250 nan 8.300 nan 0.000 0.474 218 V N 0.196 119.728 119.914 -0.637 0.000 2.358 218 V HA -0.313 3.844 4.120 0.061 0.000 0.246 218 V C 2.247 178.139 176.094 -0.336 0.000 1.047 218 V CA 2.348 64.301 62.300 -0.579 0.000 1.035 218 V CB -1.059 30.451 31.823 -0.522 0.000 0.658 218 V HN 0.462 nan 8.190 nan 0.000 0.452 219 H N -0.068 118.795 119.070 -0.345 0.000 2.352 219 H HA -0.180 4.412 4.556 0.061 0.000 0.299 219 H C 2.336 177.532 175.328 -0.220 0.000 1.097 219 H CA 1.141 57.060 56.048 -0.215 0.000 1.311 219 H CB 0.016 29.700 29.762 -0.132 0.000 1.377 219 H HN 0.490 nan 8.280 nan 0.000 0.504 220 A N 0.423 123.097 122.820 -0.244 0.000 1.902 220 A HA -0.120 4.237 4.320 0.061 0.000 0.217 220 A C 2.538 179.982 177.584 -0.233 0.000 1.181 220 A CA 1.437 53.318 52.037 -0.259 0.000 0.623 220 A CB -0.766 17.970 19.000 -0.439 0.000 0.818 220 A HN 0.300 nan 8.150 nan 0.000 0.443 221 V N -0.091 119.545 119.914 -0.463 0.000 2.591 221 V HA -0.028 4.128 4.120 0.061 0.000 0.249 221 V C 0.971 177.036 176.094 -0.049 0.000 1.053 221 V CA 0.936 63.047 62.300 -0.315 0.000 1.068 221 V CB -0.501 30.945 31.823 -0.629 0.000 0.689 221 V HN 0.345 nan 8.190 nan 0.000 0.462 222 K N 0.903 121.242 120.400 -0.103 0.000 2.187 222 K HA 0.193 4.550 4.320 0.061 0.000 0.247 222 K C -2.262 174.291 176.600 -0.078 0.000 1.019 222 K CA -1.536 54.705 56.287 -0.077 0.000 0.893 222 K CB -0.475 31.974 32.500 -0.085 0.000 1.025 222 K HN 0.169 nan 8.250 nan 0.000 0.500 223 P HA -0.005 nan 4.420 nan 0.000 0.266 223 P C -0.539 176.696 177.300 -0.109 0.000 1.195 223 P CA 0.376 63.339 63.100 -0.229 0.000 0.768 223 P CB 0.354 31.930 31.700 -0.207 0.000 0.838 224 E N 4.971 125.148 120.200 -0.039 0.000 2.373 224 E HA 0.012 4.399 4.350 0.061 0.000 0.267 224 E C -1.292 175.381 176.600 0.120 0.000 1.032 224 E CA -1.345 55.143 56.400 0.147 0.000 0.889 224 E CB 0.192 30.111 29.700 0.365 0.000 0.984 224 E HN 0.417 nan 8.360 nan 0.000 0.425 225 P HA -0.180 nan 4.420 nan 0.000 0.225 225 P C 0.964 178.331 177.300 0.112 0.000 1.156 225 P CA 1.263 64.401 63.100 0.065 0.000 0.787 225 P CB 0.062 31.778 31.700 0.027 0.000 0.802 226 H N -0.619 118.492 119.070 0.068 0.000 2.299 226 H HA -0.082 4.510 4.556 0.061 0.000 0.302 226 H C 1.525 176.950 175.328 0.161 0.000 1.078 226 H CA 1.473 57.548 56.048 0.045 0.000 1.323 226 H CB -1.385 28.338 29.762 -0.064 0.000 1.381 226 H HN 0.281 nan 8.280 nan 0.000 0.498 227 W N 0.392 121.300 121.300 -0.653 0.000 3.008 227 W HA 0.680 5.377 4.660 0.060 0.000 0.355 227 W C 0.524 176.874 176.519 -0.281 0.000 1.095 227 W CA -0.971 56.125 57.345 -0.415 0.000 1.738 227 W CB -0.761 28.452 29.460 -0.412 0.000 1.091 227 W HN 0.452 nan 8.180 nan 0.000 0.574 228 A N 1.268 124.053 122.820 -0.058 0.000 2.610 228 A HA -0.152 4.204 4.320 0.061 0.000 0.299 228 A C -0.421 176.929 177.584 -0.390 0.000 1.487 228 A CA 1.420 53.350 52.037 -0.177 0.000 0.743 228 A CB -2.406 16.523 19.000 -0.118 0.000 1.070 228 A HN 0.476 nan 8.150 nan 0.000 0.439 229 I N 0.756 120.946 120.570 -0.633 0.000 2.686 229 I HA 0.548 4.755 4.170 0.061 0.000 0.295 229 I C -2.468 173.317 176.117 -0.554 0.000 1.114 229 I CA -2.348 58.467 61.300 -0.808 0.000 1.038 229 I CB 3.030 40.001 38.000 -1.715 0.000 1.238 229 I HN 0.221 nan 8.210 nan 0.000 0.420 230 P HA 0.320 nan 4.420 nan 0.000 0.292 230 P C -1.626 175.512 177.300 -0.270 0.000 1.300 230 P CA -0.860 62.017 63.100 -0.371 0.000 0.900 230 P CB 1.750 33.312 31.700 -0.231 0.000 1.139 231 Q N 0.739 120.427 119.800 -0.187 0.000 2.267 231 Q HA 0.486 4.863 4.340 0.061 0.000 0.255 231 Q C 1.092 177.056 176.000 -0.060 0.000 0.923 231 Q CA 1.031 56.763 55.803 -0.119 0.000 0.925 231 Q CB -0.222 28.456 28.738 -0.100 0.000 1.195 231 Q HN 0.822 nan 8.270 nan 0.000 0.417 232 G N 3.090 111.866 108.800 -0.041 0.000 2.179 232 G HA2 -0.285 3.712 3.960 0.061 0.000 0.257 232 G HA3 -0.285 3.712 3.960 0.061 0.000 0.257 232 G C -0.404 174.512 174.900 0.026 0.000 1.010 232 G CA 0.487 45.589 45.100 0.003 0.000 0.736 232 G HN 0.541 nan 8.290 nan 0.000 0.513 233 Q N -1.094 118.706 119.800 0.000 0.000 2.309 233 Q HA 0.528 4.904 4.340 0.061 0.000 0.273 233 Q C 0.708 176.713 176.000 0.008 0.000 1.040 233 Q CA -0.102 55.723 55.803 0.037 0.000 0.834 233 Q CB 1.757 30.558 28.738 0.104 0.000 1.345 233 Q HN 0.438 nan 8.270 nan 0.000 0.414 234 S N -0.479 115.111 115.700 -0.183 0.000 2.575 234 S HA 0.172 4.679 4.470 0.061 0.000 0.215 234 S C 0.987 175.478 174.600 -0.181 0.000 0.966 234 S CA 0.046 57.889 58.200 -0.595 0.000 0.911 234 S CB 0.324 62.635 63.200 -1.482 0.000 0.780 234 S HN 0.608 nan 8.310 nan 0.000 0.514 235 A N 2.454 125.376 122.820 0.170 0.000 3.052 235 A HA 0.470 4.827 4.320 0.061 0.000 0.266 235 A C 0.181 177.991 177.584 0.378 0.000 1.855 235 A CA -0.444 51.788 52.037 0.325 0.000 1.473 235 A CB -1.374 17.760 19.000 0.225 0.000 1.038 235 A HN 0.896 nan 8.150 nan 0.000 0.619 236 H N -3.779 115.484 119.070 0.323 0.000 3.003 236 H HA 0.482 5.074 4.556 0.061 0.000 0.327 236 H C -0.240 175.284 175.328 0.327 0.000 1.353 236 H CA -0.703 55.500 56.048 0.258 0.000 1.142 236 H CB 0.195 30.064 29.762 0.179 0.000 1.864 236 H HN 0.060 nan 8.280 nan 0.000 0.529 237 D N 0.237 120.822 120.400 0.308 0.000 2.116 237 D HA -0.208 4.468 4.640 0.061 0.000 0.193 237 D C 2.133 178.510 176.300 0.128 0.000 0.998 237 D CA 3.175 57.291 54.000 0.193 0.000 0.836 237 D CB -0.399 40.489 40.800 0.146 0.000 0.951 237 D HN 0.785 nan 8.370 nan 0.000 0.449 238 T N -1.568 113.067 114.554 0.135 0.000 2.788 238 T HA -0.211 4.176 4.350 0.061 0.000 0.268 238 T C 1.923 176.579 174.700 -0.073 0.000 1.044 238 T CA 0.805 62.946 62.100 0.068 0.000 1.139 238 T CB -0.731 68.227 68.868 0.150 0.000 0.867 238 T HN 0.177 nan 8.240 nan 0.000 0.454 239 F N 0.571 120.234 119.950 -0.478 0.000 2.113 239 F HA 0.125 4.688 4.527 0.060 0.000 0.297 239 F C 1.880 177.411 175.800 -0.448 0.000 1.103 239 F CA 0.595 58.227 58.000 -0.614 0.000 1.248 239 F CB -0.528 37.891 39.000 -0.968 0.000 0.999 239 F HN 0.140 nan 8.300 nan 0.000 0.475 240 W N 0.693 121.940 121.300 -0.088 0.000 2.467 240 W HA -0.087 4.611 4.660 0.063 0.000 0.275 240 W C 2.296 178.739 176.519 -0.126 0.000 1.239 240 W CA 1.010 58.292 57.345 -0.105 0.000 1.266 240 W CB -0.606 28.875 29.460 0.034 0.000 1.112 240 W HN 0.074 nan 8.180 nan 0.000 0.576 241 D N -0.401 120.042 120.400 0.072 0.000 2.087 241 D HA -0.318 4.359 4.640 0.061 0.000 0.192 241 D C 1.895 178.192 176.300 -0.004 0.000 0.993 241 D CA 1.709 55.733 54.000 0.040 0.000 0.828 241 D CB -0.649 40.187 40.800 0.059 0.000 0.968 241 D HN 0.179 nan 8.370 nan 0.000 0.448 242 Y N 0.443 120.633 120.300 -0.184 0.000 2.128 242 Y HA -0.220 4.367 4.550 0.061 0.000 0.284 242 Y C 2.328 178.083 175.900 -0.241 0.000 1.154 242 Y CA 1.609 59.586 58.100 -0.207 0.000 1.149 242 Y CB -0.516 37.784 38.460 -0.267 0.000 0.976 242 Y HN -0.092 nan 8.280 nan 0.000 0.505 243 V N 0.161 119.943 119.914 -0.220 0.000 2.282 243 V HA -0.384 3.773 4.120 0.061 0.000 0.249 243 V C 2.603 178.644 176.094 -0.088 0.000 1.057 243 V CA 2.426 64.595 62.300 -0.219 0.000 1.032 243 V CB -1.310 30.269 31.823 -0.407 0.000 0.645 243 V HN 0.677 nan 8.190 nan 0.000 0.447 244 S N -0.431 115.261 115.700 -0.013 0.000 2.419 244 S HA -0.064 4.443 4.470 0.061 0.000 0.233 244 S C 1.697 176.267 174.600 -0.049 0.000 1.016 244 S CA 1.383 59.597 58.200 0.023 0.000 0.974 244 S CB -0.448 62.792 63.200 0.067 0.000 0.786 244 S HN 0.550 nan 8.310 nan 0.000 0.492 245 L N 0.034 121.181 121.223 -0.126 0.000 2.607 245 L HA 0.321 4.698 4.340 0.061 0.000 0.228 245 L C 0.567 177.270 176.870 -0.279 0.000 1.123 245 L CA 0.149 54.888 54.840 -0.170 0.000 0.890 245 L CB 0.093 42.051 42.059 -0.169 0.000 1.103 245 L HN 0.247 nan 8.230 nan 0.000 0.468 246 Q N 0.075 119.670 119.800 -0.342 0.000 3.244 246 Q HA 0.230 4.606 4.340 0.061 0.000 0.249 246 Q C -1.951 173.832 176.000 -0.362 0.000 0.951 246 Q CA -1.407 54.148 55.803 -0.414 0.000 0.740 246 Q CB 1.492 29.870 28.738 -0.598 0.000 1.334 246 Q HN -0.009 nan 8.270 nan 0.000 0.448 247 P HA -0.219 nan 4.420 nan 0.000 0.223 247 P C 1.072 178.067 177.300 -0.508 0.000 1.144 247 P CA 1.116 63.973 63.100 -0.405 0.000 0.783 247 P CB 0.213 31.648 31.700 -0.443 0.000 0.771 248 E N 0.599 120.344 120.200 -0.758 0.000 2.273 248 E HA -0.203 4.184 4.350 0.061 0.000 0.198 248 E C 1.339 177.888 176.600 -0.085 0.000 1.002 248 E CA 1.890 58.109 56.400 -0.302 0.000 0.828 248 E CB -1.288 28.319 29.700 -0.155 0.000 0.747 248 E HN 0.304 nan 8.360 nan 0.000 0.491 249 T N -1.006 113.501 114.554 -0.079 0.000 3.085 249 T HA 0.063 4.450 4.350 0.061 0.000 0.263 249 T C 1.890 176.654 174.700 0.106 0.000 1.127 249 T CA 0.261 62.380 62.100 0.032 0.000 1.103 249 T CB -0.225 68.688 68.868 0.075 0.000 0.921 249 T HN 0.144 nan 8.240 nan 0.000 0.510 250 L N -0.028 121.262 121.223 0.113 0.000 2.141 250 L HA -0.012 4.364 4.340 0.061 0.000 0.209 250 L C 2.829 179.866 176.870 0.278 0.000 1.094 250 L CA 1.496 56.476 54.840 0.234 0.000 0.763 250 L CB -0.716 41.498 42.059 0.258 0.000 0.908 250 L HN 0.466 nan 8.230 nan 0.000 0.437 251 H N 0.100 119.218 119.070 0.079 0.000 2.270 251 H HA -0.216 4.377 4.556 0.061 0.000 0.299 251 H C 2.119 177.450 175.328 0.006 0.000 1.077 251 H CA 1.885 57.976 56.048 0.073 0.000 1.294 251 H CB 0.222 29.994 29.762 0.016 0.000 1.371 251 H HN 0.360 nan 8.280 nan 0.000 0.491 252 N N -0.127 118.399 118.700 -0.289 0.000 2.309 252 N HA -0.119 4.657 4.740 0.061 0.000 0.182 252 N C 1.933 177.244 175.510 -0.332 0.000 1.018 252 N CA 0.646 53.288 53.050 -0.680 0.000 0.876 252 N CB 0.296 37.904 38.487 -1.464 0.000 0.972 252 N HN 0.124 nan 8.380 nan 0.000 0.434 253 V N 1.635 121.587 119.914 0.064 0.000 2.343 253 V HA -0.242 3.915 4.120 0.061 0.000 0.247 253 V C 2.491 178.724 176.094 0.231 0.000 1.051 253 V CA 1.219 63.716 62.300 0.328 0.000 1.036 253 V CB -0.347 31.733 31.823 0.427 0.000 0.654 253 V HN 0.406 nan 8.190 nan 0.000 0.451 254 M N -1.642 118.127 119.600 0.280 0.000 2.108 254 M HA -0.218 4.299 4.480 0.061 0.000 0.261 254 M C 2.077 178.385 176.300 0.012 0.000 1.066 254 M CA 1.911 57.378 55.300 0.278 0.000 1.107 254 M CB -1.183 31.602 32.600 0.308 0.000 1.356 254 M HN 0.475 nan 8.290 nan 0.000 0.406 255 W N 0.411 121.447 121.300 -0.441 0.000 2.381 255 W HA -0.055 4.643 4.660 0.063 0.000 0.301 255 W C 2.774 179.223 176.519 -0.117 0.000 1.205 255 W CA 1.719 58.772 57.345 -0.486 0.000 1.285 255 W CB -0.934 28.181 29.460 -0.575 0.000 1.133 255 W HN 0.278 nan 8.180 nan 0.000 0.521 256 A N -0.637 122.271 122.820 0.147 0.000 1.969 256 A HA -0.168 4.189 4.320 0.061 0.000 0.218 256 A C 1.898 179.540 177.584 0.097 0.000 1.169 256 A CA 1.538 53.667 52.037 0.152 0.000 0.635 256 A CB -0.537 18.594 19.000 0.218 0.000 0.810 256 A HN 0.094 nan 8.150 nan 0.000 0.445 257 M N 0.596 120.212 119.600 0.027 0.000 2.558 257 M HA 0.040 4.557 4.480 0.061 0.000 0.255 257 M C 1.315 177.666 176.300 0.085 0.000 1.113 257 M CA 0.644 55.900 55.300 -0.074 0.000 1.097 257 M CB -1.288 31.015 32.600 -0.495 0.000 1.426 257 M HN 0.530 nan 8.290 nan 0.000 0.488 258 S N 0.083 115.896 115.700 0.189 0.000 2.655 258 S HA 0.139 4.646 4.470 0.061 0.000 0.265 258 S C 0.689 175.432 174.600 0.239 0.000 1.240 258 S CA -0.531 57.824 58.200 0.258 0.000 0.986 258 S CB 1.165 64.577 63.200 0.352 0.000 0.985 258 S HN 0.161 nan 8.310 nan 0.000 0.562 259 D N 0.409 120.968 120.400 0.265 0.000 2.384 259 D HA -0.030 4.646 4.640 0.061 0.000 0.222 259 D C 1.789 178.244 176.300 0.259 0.000 0.976 259 D CA 0.475 54.652 54.000 0.296 0.000 0.915 259 D CB -0.164 40.879 40.800 0.405 0.000 0.896 259 D HN 0.414 nan 8.370 nan 0.000 0.523 260 R N 0.141 120.790 120.500 0.249 0.000 2.193 260 R HA -0.046 4.330 4.340 0.061 0.000 0.229 260 R C 2.058 178.520 176.300 0.271 0.000 1.110 260 R CA 0.932 57.202 56.100 0.282 0.000 0.988 260 R CB -0.689 29.853 30.300 0.403 0.000 0.871 260 R HN 0.186 nan 8.270 nan 0.000 0.458 261 G N 1.279 110.226 108.800 0.246 0.000 2.744 261 G HA2 -0.008 3.988 3.960 0.061 0.000 0.211 261 G HA3 -0.008 3.988 3.960 0.061 0.000 0.211 261 G C 0.971 176.014 174.900 0.239 0.000 1.143 261 G CA 0.086 45.320 45.100 0.223 0.000 0.788 261 G HN 0.408 nan 8.290 nan 0.000 0.534 262 I N -2.322 118.400 120.570 0.254 0.000 2.917 262 I HA 0.348 4.555 4.170 0.061 0.000 0.292 262 I C -2.903 173.370 176.117 0.260 0.000 1.510 262 I CA -2.489 58.968 61.300 0.262 0.000 0.858 262 I CB 1.838 40.000 38.000 0.270 0.000 1.862 262 I HN -0.269 nan 8.210 nan 0.000 0.615 263 P HA 0.106 nan 4.420 nan 0.000 0.272 263 P C 0.527 177.961 177.300 0.223 0.000 1.230 263 P CA -0.218 62.985 63.100 0.172 0.000 0.788 263 P CB 1.273 33.003 31.700 0.049 0.000 0.949 264 R N 1.353 121.963 120.500 0.184 0.000 2.115 264 R HA 0.032 4.408 4.340 0.061 0.000 0.226 264 R C 0.465 176.908 176.300 0.238 0.000 1.100 264 R CA 1.397 57.656 56.100 0.265 0.000 0.980 264 R CB -0.444 29.981 30.300 0.207 0.000 0.875 264 R HN 0.550 nan 8.270 nan 0.000 0.445 265 S N -2.736 112.891 115.700 -0.121 0.000 2.567 265 S HA 0.210 4.717 4.470 0.061 0.000 0.270 265 S C -0.394 173.880 174.600 -0.542 0.000 1.152 265 S CA -0.854 57.125 58.200 -0.368 0.000 0.835 265 S CB 0.107 63.226 63.200 -0.135 0.000 1.115 265 S HN 0.101 nan 8.310 nan 0.000 0.459 266 Y N 2.146 122.069 120.300 -0.629 0.000 2.483 266 Y HA 0.074 4.662 4.550 0.062 0.000 0.291 266 Y C 2.308 177.823 175.900 -0.642 0.000 1.143 266 Y CA 1.022 58.626 58.100 -0.827 0.000 1.289 266 Y CB -0.284 37.355 38.460 -1.368 0.000 0.983 266 Y HN 0.560 nan 8.280 nan 0.000 0.556 267 R N -0.657 119.698 120.500 -0.243 0.000 2.236 267 R HA -0.010 4.367 4.340 0.061 0.000 0.208 267 R C 1.060 177.304 176.300 -0.094 0.000 1.036 267 R CA 1.446 57.455 56.100 -0.152 0.000 1.001 267 R CB -0.310 29.901 30.300 -0.148 0.000 0.896 267 R HN 0.309 nan 8.270 nan 0.000 0.464 268 T N -1.866 112.652 114.554 -0.059 0.000 3.355 268 T HA 0.345 4.731 4.350 0.061 0.000 0.276 268 T C 0.175 174.905 174.700 0.050 0.000 1.003 268 T CA -0.694 61.402 62.100 -0.007 0.000 0.943 268 T CB -0.055 68.797 68.868 -0.027 0.000 1.158 268 T HN 0.074 nan 8.240 nan 0.000 0.513 269 M N -1.044 118.624 119.600 0.113 0.000 2.644 269 M HA 0.740 5.256 4.480 0.061 0.000 0.304 269 M C -1.070 175.404 176.300 0.289 0.000 1.215 269 M CA -0.913 54.500 55.300 0.189 0.000 0.871 269 M CB 2.027 34.736 32.600 0.181 0.000 1.740 269 M HN -0.148 nan 8.290 nan 0.000 0.464 270 E N 0.381 120.751 120.200 0.284 0.000 2.345 270 E HA 0.621 5.008 4.350 0.061 0.000 0.259 270 E C -0.235 176.451 176.600 0.143 0.000 1.117 270 E CA -0.470 56.033 56.400 0.172 0.000 0.913 270 E CB 1.466 31.190 29.700 0.040 0.000 1.057 270 E HN 0.844 nan 8.360 nan 0.000 0.432 271 G N 0.662 109.382 108.800 -0.133 0.000 2.533 271 G HA2 0.655 4.652 3.960 0.061 0.000 0.304 271 G HA3 0.655 4.652 3.960 0.061 0.000 0.304 271 G C -1.472 173.032 174.900 -0.660 0.000 1.263 271 G CA -0.469 44.531 45.100 -0.166 0.000 0.964 271 G HN 0.297 nan 8.290 nan 0.000 0.479 272 F N -0.809 119.088 119.950 -0.088 0.000 2.628 272 F HA 0.478 5.041 4.527 0.060 0.000 0.309 272 F C 1.000 176.721 175.800 -0.132 0.000 1.108 272 F CA -0.442 57.427 58.000 -0.218 0.000 0.971 272 F CB 2.403 41.222 39.000 -0.300 0.000 1.279 272 F HN 0.632 nan 8.300 nan 0.000 0.441 273 G N 0.657 109.533 108.800 0.125 0.000 2.623 273 G HA2 0.302 4.299 3.960 0.061 0.000 0.214 273 G HA3 0.302 4.299 3.960 0.061 0.000 0.214 273 G C 1.218 176.188 174.900 0.117 0.000 1.138 273 G CA 0.753 45.986 45.100 0.222 0.000 0.794 273 G HN 1.358 nan 8.290 nan 0.000 0.535 274 A N -0.211 122.589 122.820 -0.033 0.000 1.467 274 A HA -0.279 4.077 4.320 0.061 0.000 0.224 274 A C 1.019 178.430 177.584 -0.289 0.000 0.419 274 A CA 1.439 53.309 52.037 -0.278 0.000 1.100 274 A CB -2.072 16.664 19.000 -0.440 0.000 1.463 274 A HN 0.530 nan 8.150 nan 0.000 0.719 275 H N 0.823 119.896 119.070 0.004 0.000 2.607 275 H HA 0.410 5.004 4.556 0.063 0.000 0.367 275 H C 0.275 175.518 175.328 -0.142 0.000 1.181 275 H CA 0.793 56.748 56.048 -0.155 0.000 1.402 275 H CB 0.051 29.558 29.762 -0.425 0.000 1.474 275 H HN 0.497 nan 8.280 nan 0.000 0.596 276 T N 3.254 117.768 114.554 -0.066 0.000 2.794 276 T HA 0.235 4.621 4.350 0.061 0.000 0.296 276 T C 0.241 174.860 174.700 -0.136 0.000 0.949 276 T CA -0.061 61.997 62.100 -0.071 0.000 1.101 276 T CB -0.170 68.628 68.868 -0.118 0.000 0.905 276 T HN 0.230 nan 8.240 nan 0.000 0.516 277 F N 1.380 121.267 119.950 -0.105 0.000 2.544 277 F HA 0.648 5.210 4.527 0.059 0.000 0.378 277 F C 1.100 176.842 175.800 -0.097 0.000 1.112 277 F CA -1.280 56.677 58.000 -0.071 0.000 1.115 277 F CB 1.243 40.151 39.000 -0.154 0.000 1.436 277 F HN 0.196 nan 8.300 nan 0.000 0.496 278 R N 0.514 121.054 120.500 0.067 0.000 2.670 278 R HA 0.617 4.994 4.340 0.061 0.000 0.289 278 R C -1.566 174.606 176.300 -0.213 0.000 0.965 278 R CA -0.839 55.164 56.100 -0.163 0.000 0.899 278 R CB 1.800 31.936 30.300 -0.274 0.000 1.173 278 R HN 0.423 nan 8.270 nan 0.000 0.456 279 L N 3.708 124.760 121.223 -0.284 0.000 2.307 279 L HA 0.514 4.891 4.340 0.061 0.000 0.282 279 L C -0.440 176.266 176.870 -0.273 0.000 1.051 279 L CA -0.860 53.825 54.840 -0.259 0.000 0.804 279 L CB 1.168 43.081 42.059 -0.243 0.000 1.197 279 L HN 0.367 nan 8.230 nan 0.000 0.431 280 I N 2.821 123.254 120.570 -0.229 0.000 2.447 280 I HA 0.263 4.470 4.170 0.061 0.000 0.287 280 I C -0.207 175.818 176.117 -0.153 0.000 1.023 280 I CA -0.755 60.413 61.300 -0.221 0.000 1.083 280 I CB 1.340 39.218 38.000 -0.204 0.000 1.245 280 I HN 0.623 nan 8.210 nan 0.000 0.434 281 N N 4.947 123.570 118.700 -0.129 0.000 2.405 281 N HA 0.343 5.120 4.740 0.061 0.000 0.269 281 N C 0.916 176.383 175.510 -0.071 0.000 1.249 281 N CA -0.177 52.819 53.050 -0.090 0.000 0.974 281 N CB 0.686 39.128 38.487 -0.075 0.000 1.204 281 N HN 0.542 nan 8.380 nan 0.000 0.565 282 A N -0.197 122.591 122.820 -0.054 0.000 1.940 282 A HA -0.176 4.181 4.320 0.061 0.000 0.219 282 A C 1.765 179.328 177.584 -0.035 0.000 1.176 282 A CA 1.705 53.717 52.037 -0.042 0.000 0.631 282 A CB -0.935 18.047 19.000 -0.030 0.000 0.814 282 A HN 0.815 nan 8.150 nan 0.000 0.446 283 E N -1.650 118.530 120.200 -0.033 0.000 2.511 283 E HA 0.250 4.637 4.350 0.061 0.000 0.196 283 E C 1.227 177.815 176.600 -0.019 0.000 1.066 283 E CA 0.791 57.177 56.400 -0.024 0.000 0.871 283 E CB -0.190 29.497 29.700 -0.022 0.000 0.863 283 E HN 0.748 nan 8.360 nan 0.000 0.520 284 G N 1.062 109.846 108.800 -0.026 0.000 2.176 284 G HA2 -0.373 3.623 3.960 0.061 0.000 0.253 284 G HA3 -0.373 3.623 3.960 0.061 0.000 0.253 284 G C 0.330 175.237 174.900 0.011 0.000 0.979 284 G CA 0.340 45.442 45.100 0.004 0.000 0.641 284 G HN 0.295 nan 8.290 nan 0.000 0.530 285 K N 1.038 121.410 120.400 -0.046 0.000 2.368 285 K HA 0.589 4.946 4.320 0.061 0.000 0.282 285 K C 0.698 177.157 176.600 -0.235 0.000 1.035 285 K CA 0.282 56.514 56.287 -0.092 0.000 0.973 285 K CB 0.352 32.803 32.500 -0.081 0.000 0.957 285 K HN 0.579 nan 8.250 nan 0.000 0.474 286 A N 3.652 126.215 122.820 -0.428 0.000 2.309 286 A HA 0.394 4.750 4.320 0.061 0.000 0.298 286 A C -0.680 176.582 177.584 -0.537 0.000 1.165 286 A CA -0.423 51.200 52.037 -0.691 0.000 0.821 286 A CB 1.011 19.139 19.000 -1.453 0.000 1.102 286 A HN 0.726 nan 8.150 nan 0.000 0.500 287 T N 2.261 116.527 114.554 -0.481 0.000 2.861 287 T HA 0.545 4.931 4.350 0.061 0.000 0.287 287 T C -0.625 173.836 174.700 -0.398 0.000 1.003 287 T CA -0.102 61.780 62.100 -0.363 0.000 0.977 287 T CB 0.555 69.307 68.868 -0.193 0.000 0.996 287 T HN 0.346 nan 8.240 nan 0.000 0.448 288 F N 1.853 121.716 119.950 -0.145 0.000 2.418 288 F HA 0.572 5.135 4.527 0.060 0.000 0.341 288 F C 0.565 176.255 175.800 -0.184 0.000 1.120 288 F CA -0.406 57.502 58.000 -0.153 0.000 1.232 288 F CB 0.805 39.738 39.000 -0.112 0.000 1.175 288 F HN 0.213 nan 8.300 nan 0.000 0.569 289 V N 4.148 124.030 119.914 -0.053 0.000 2.851 289 V HA 0.575 4.732 4.120 0.061 0.000 0.307 289 V C -1.078 174.804 176.094 -0.353 0.000 1.129 289 V CA -0.730 61.400 62.300 -0.284 0.000 0.932 289 V CB 2.049 33.498 31.823 -0.623 0.000 1.024 289 V HN 0.779 nan 8.190 nan 0.000 0.426 290 R N 4.588 124.940 120.500 -0.246 0.000 2.637 290 R HA 0.592 4.969 4.340 0.061 0.000 0.291 290 R C -1.585 174.653 176.300 -0.103 0.000 0.963 290 R CA -0.487 55.497 56.100 -0.194 0.000 0.901 290 R CB 2.074 32.387 30.300 0.023 0.000 1.160 290 R HN 0.607 nan 8.270 nan 0.000 0.457 291 F N 1.797 121.802 119.950 0.090 0.000 2.385 291 F HA 0.377 4.940 4.527 0.060 0.000 0.336 291 F C 0.904 176.662 175.800 -0.069 0.000 1.100 291 F CA -0.140 57.878 58.000 0.030 0.000 1.116 291 F CB 0.903 39.798 39.000 -0.174 0.000 1.166 291 F HN 0.186 nan 8.300 nan 0.000 0.511 292 H N 0.853 119.926 119.070 0.004 0.000 2.806 292 H HA 0.238 4.831 4.556 0.061 0.000 0.367 292 H C -1.605 173.509 175.328 -0.356 0.000 1.136 292 H CA -0.995 54.947 56.048 -0.177 0.000 1.178 292 H CB 1.971 31.719 29.762 -0.023 0.000 1.718 292 H HN 0.687 nan 8.280 nan 0.000 0.540 293 W N 2.493 123.671 121.300 -0.203 0.000 2.600 293 W HA 0.315 5.011 4.660 0.059 0.000 0.325 293 W C -0.124 176.416 176.519 0.035 0.000 1.034 293 W CA -0.781 56.505 57.345 -0.098 0.000 1.226 293 W CB 1.800 31.025 29.460 -0.392 0.000 1.379 293 W HN 0.297 nan 8.180 nan 0.000 0.466 294 K N 5.681 126.352 120.400 0.451 0.000 2.240 294 K HA 0.405 4.761 4.320 0.061 0.000 0.271 294 K C -2.432 174.392 176.600 0.373 0.000 1.018 294 K CA -1.834 54.653 56.287 0.333 0.000 0.874 294 K CB 1.368 34.016 32.500 0.248 0.000 1.098 294 K HN 0.031 nan 8.250 nan 0.000 0.458 295 P HA 0.080 nan 4.420 nan 0.000 0.287 295 P C 0.284 177.593 177.300 0.016 0.000 1.294 295 P CA -0.199 62.966 63.100 0.108 0.000 0.776 295 P CB 0.873 32.644 31.700 0.117 0.000 0.889 296 L N 2.538 123.717 121.223 -0.074 0.000 2.376 296 L HA -0.040 4.336 4.340 0.061 0.000 0.219 296 L C 2.129 178.977 176.870 -0.037 0.000 1.133 296 L CA 1.038 55.865 54.840 -0.022 0.000 0.816 296 L CB -0.624 41.432 42.059 -0.006 0.000 0.933 296 L HN 0.340 nan 8.230 nan 0.000 0.449 297 A N 0.169 122.937 122.820 -0.086 0.000 2.238 297 A HA 0.408 4.764 4.320 0.061 0.000 0.208 297 A C 1.241 178.817 177.584 -0.013 0.000 1.177 297 A CA 0.675 52.680 52.037 -0.054 0.000 0.804 297 A CB -0.453 18.496 19.000 -0.085 0.000 0.823 297 A HN 0.458 nan 8.150 nan 0.000 0.482 298 G N -0.643 108.163 108.800 0.010 0.000 2.707 298 G HA2 -0.122 3.875 3.960 0.061 0.000 0.686 298 G HA3 -0.122 3.875 3.960 0.061 0.000 0.686 298 G C -0.679 174.246 174.900 0.040 0.000 1.315 298 G CA -0.519 44.607 45.100 0.043 0.000 0.832 298 G HN 0.432 nan 8.290 nan 0.000 0.573 299 K N 0.317 120.747 120.400 0.050 0.000 2.227 299 K HA 0.680 5.037 4.320 0.061 0.000 0.280 299 K C 0.235 176.822 176.600 -0.021 0.000 1.041 299 K CA 0.284 56.583 56.287 0.020 0.000 0.905 299 K CB 1.623 34.122 32.500 -0.001 0.000 1.068 299 K HN 1.361 nan 8.250 nan 0.000 0.470 300 A N 2.006 124.801 122.820 -0.041 0.000 2.517 300 A HA 0.594 4.951 4.320 0.061 0.000 0.297 300 A C -1.049 176.568 177.584 0.055 0.000 1.050 300 A CA -0.662 51.304 52.037 -0.119 0.000 0.694 300 A CB 1.729 20.440 19.000 -0.482 0.000 1.277 300 A HN 0.515 nan 8.150 nan 0.000 0.400 301 S N 0.591 116.483 115.700 0.320 0.000 2.634 301 S HA 0.749 5.256 4.470 0.061 0.000 0.296 301 S C -0.106 174.811 174.600 0.528 0.000 1.104 301 S CA -0.584 57.845 58.200 0.382 0.000 0.920 301 S CB 1.188 64.608 63.200 0.367 0.000 1.111 301 S HN 0.643 nan 8.310 nan 0.000 0.493 302 L N 1.426 122.857 121.223 0.347 0.000 2.482 302 L HA 0.520 4.896 4.340 0.061 0.000 0.242 302 L C 0.129 177.126 176.870 0.212 0.000 1.210 302 L CA -0.723 54.246 54.840 0.214 0.000 0.819 302 L CB 0.229 42.329 42.059 0.068 0.000 1.203 302 L HN 0.491 nan 8.230 nan 0.000 0.495 303 V N -2.780 117.155 119.914 0.035 0.000 2.850 303 V HA 0.190 4.347 4.120 0.061 0.000 0.315 303 V C 0.620 176.657 176.094 -0.094 0.000 1.064 303 V CA -0.753 61.539 62.300 -0.014 0.000 0.979 303 V CB 1.628 33.407 31.823 -0.074 0.000 1.039 303 V HN 0.955 nan 8.190 nan 0.000 0.452 304 W N 1.702 122.870 121.300 -0.220 0.000 2.358 304 W HA -0.162 4.535 4.660 0.061 0.000 0.303 304 W C 1.692 178.052 176.519 -0.264 0.000 1.208 304 W CA 2.292 59.502 57.345 -0.226 0.000 1.274 304 W CB -0.070 29.239 29.460 -0.251 0.000 1.138 304 W HN 0.991 nan 8.180 nan 0.000 0.515 305 D N 0.409 120.518 120.400 -0.485 0.000 2.178 305 D HA -0.284 4.393 4.640 0.061 0.000 0.201 305 D C 2.141 178.094 176.300 -0.578 0.000 0.980 305 D CA 1.995 55.690 54.000 -0.509 0.000 0.842 305 D CB -0.365 40.376 40.800 -0.099 0.000 0.948 305 D HN 0.400 nan 8.370 nan 0.000 0.472 306 E N -0.490 119.248 120.200 -0.771 0.000 2.072 306 E HA -0.126 4.260 4.350 0.061 0.000 0.190 306 E C 2.003 178.262 176.600 -0.568 0.000 0.982 306 E CA 0.850 56.733 56.400 -0.862 0.000 0.803 306 E CB -0.164 28.885 29.700 -1.086 0.000 0.755 306 E HN 0.282 nan 8.360 nan 0.000 0.453 307 A N 1.256 123.761 122.820 -0.525 0.000 1.902 307 A HA -0.236 4.120 4.320 0.061 0.000 0.217 307 A C 2.191 179.449 177.584 -0.544 0.000 1.181 307 A CA 1.687 53.471 52.037 -0.421 0.000 0.623 307 A CB -0.659 18.207 19.000 -0.222 0.000 0.818 307 A HN 0.415 nan 8.150 nan 0.000 0.443 308 Q N -0.490 118.764 119.800 -0.909 0.000 2.079 308 Q HA -0.191 4.186 4.340 0.061 0.000 0.200 308 Q C 2.167 177.890 176.000 -0.462 0.000 0.974 308 Q CA 1.866 57.164 55.803 -0.842 0.000 0.840 308 Q CB -0.142 27.833 28.738 -1.272 0.000 0.898 308 Q HN 0.667 nan 8.270 nan 0.000 0.430 309 K N -0.006 120.141 120.400 -0.421 0.000 2.211 309 K HA -0.137 4.219 4.320 0.061 0.000 0.203 309 K C 2.007 178.469 176.600 -0.231 0.000 1.050 309 K CA 0.562 56.696 56.287 -0.255 0.000 0.945 309 K CB 0.010 32.405 32.500 -0.176 0.000 0.732 309 K HN 0.174 nan 8.250 nan 0.000 0.451 310 L N 1.338 122.383 121.223 -0.297 0.000 2.156 310 L HA -0.102 4.275 4.340 0.061 0.000 0.208 310 L C 2.135 178.879 176.870 -0.211 0.000 1.095 310 L CA 2.093 56.762 54.840 -0.286 0.000 0.770 310 L CB -0.823 40.985 42.059 -0.418 0.000 0.914 310 L HN 0.308 nan 8.230 nan 0.000 0.439 311 T N -4.199 110.235 114.554 -0.200 0.000 2.929 311 T HA -0.065 4.322 4.350 0.061 0.000 0.271 311 T C 1.796 176.439 174.700 -0.094 0.000 1.085 311 T CA 0.994 63.020 62.100 -0.125 0.000 1.125 311 T CB -0.874 67.932 68.868 -0.103 0.000 0.874 311 T HN 0.388 nan 8.240 nan 0.000 0.494 312 G N 0.937 109.673 108.800 -0.106 0.000 2.490 312 G HA2 0.033 4.029 3.960 0.061 0.000 0.211 312 G HA3 0.033 4.029 3.960 0.061 0.000 0.211 312 G C 1.887 176.748 174.900 -0.065 0.000 1.159 312 G CA -0.338 44.717 45.100 -0.076 0.000 0.819 312 G HN 0.290 nan 8.290 nan 0.000 0.539 313 R N 0.303 120.755 120.500 -0.080 0.000 2.115 313 R HA 0.037 4.414 4.340 0.061 0.000 0.226 313 R C -0.153 176.126 176.300 -0.035 0.000 1.100 313 R CA 0.839 56.905 56.100 -0.057 0.000 0.980 313 R CB -0.171 30.086 30.300 -0.073 0.000 0.875 313 R HN 0.339 nan 8.270 nan 0.000 0.445 314 D N -0.658 119.717 120.400 -0.042 0.000 2.584 314 D HA 0.133 4.810 4.640 0.061 0.000 0.238 314 D C -2.152 174.154 176.300 0.010 0.000 1.302 314 D CA -1.694 52.313 54.000 0.012 0.000 0.884 314 D CB 1.236 42.090 40.800 0.089 0.000 1.456 314 D HN -0.143 nan 8.370 nan 0.000 0.528 315 P HA 0.002 nan 4.420 nan 0.000 0.231 315 P C 0.063 177.371 177.300 0.014 0.000 1.158 315 P CA 0.668 63.761 63.100 -0.013 0.000 0.763 315 P CB 0.450 32.140 31.700 -0.017 0.000 0.805 316 D N -1.542 118.878 120.400 0.033 0.000 2.463 316 D HA 0.077 4.754 4.640 0.061 0.000 0.224 316 D C 1.157 177.493 176.300 0.060 0.000 1.174 316 D CA -0.430 53.593 54.000 0.039 0.000 0.829 316 D CB -0.489 40.312 40.800 0.003 0.000 0.993 316 D HN 0.126 nan 8.370 nan 0.000 0.497 317 F N 1.201 121.096 119.950 -0.091 0.000 2.102 317 F HA -0.212 4.352 4.527 0.061 0.000 0.298 317 F C 2.054 177.836 175.800 -0.030 0.000 1.105 317 F CA 1.847 59.791 58.000 -0.093 0.000 1.239 317 F CB 0.074 38.970 39.000 -0.173 0.000 0.991 317 F HN 0.089 nan 8.300 nan 0.000 0.474 318 H N -1.113 117.873 119.070 -0.140 0.000 2.363 318 H HA -0.064 4.528 4.556 0.061 0.000 0.301 318 H C 2.383 177.637 175.328 -0.123 0.000 1.074 318 H CA 0.863 56.707 56.048 -0.340 0.000 1.354 318 H CB -0.118 29.275 29.762 -0.615 0.000 1.397 318 H HN 0.165 nan 8.280 nan 0.000 0.516 319 R N 1.335 121.945 120.500 0.184 0.000 2.083 319 R HA -0.171 4.206 4.340 0.061 0.000 0.237 319 R C 2.437 178.845 176.300 0.182 0.000 1.137 319 R CA 1.615 57.868 56.100 0.256 0.000 0.951 319 R CB -0.086 30.352 30.300 0.230 0.000 0.851 319 R HN 0.204 nan 8.270 nan 0.000 0.434 320 R N 0.264 120.791 120.500 0.046 0.000 2.073 320 R HA -0.153 4.224 4.340 0.061 0.000 0.234 320 R C 2.240 178.546 176.300 0.009 0.000 1.134 320 R CA 1.758 57.868 56.100 0.017 0.000 0.952 320 R CB -0.264 30.002 30.300 -0.056 0.000 0.850 320 R HN 0.295 nan 8.270 nan 0.000 0.433 321 E N 0.723 120.816 120.200 -0.178 0.000 2.077 321 E HA -0.208 4.179 4.350 0.061 0.000 0.193 321 E C 2.046 178.626 176.600 -0.034 0.000 0.989 321 E CA 1.210 57.483 56.400 -0.212 0.000 0.800 321 E CB -0.119 29.279 29.700 -0.504 0.000 0.746 321 E HN 0.288 nan 8.360 nan 0.000 0.452 322 L N 0.861 122.106 121.223 0.038 0.000 2.017 322 L HA -0.164 4.212 4.340 0.061 0.000 0.208 322 L C 2.298 179.270 176.870 0.170 0.000 1.073 322 L CA 1.949 56.857 54.840 0.113 0.000 0.745 322 L CB -0.886 41.297 42.059 0.206 0.000 0.894 322 L HN 0.309 nan 8.230 nan 0.000 0.432 323 W N 0.875 122.213 121.300 0.064 0.000 2.363 323 W HA -0.191 4.505 4.660 0.060 0.000 0.296 323 W C 2.160 178.713 176.519 0.056 0.000 1.212 323 W CA 2.079 59.474 57.345 0.082 0.000 1.260 323 W CB -0.077 29.435 29.460 0.087 0.000 1.131 323 W HN 0.372 nan 8.180 nan 0.000 0.530 324 E N -0.159 120.209 120.200 0.280 0.000 2.158 324 E HA -0.090 4.297 4.350 0.061 0.000 0.191 324 E C 2.369 179.004 176.600 0.059 0.000 0.982 324 E CA 0.928 57.423 56.400 0.158 0.000 0.823 324 E CB -0.251 29.498 29.700 0.081 0.000 0.766 324 E HN 0.159 nan 8.360 nan 0.000 0.468 325 A N 1.286 124.140 122.820 0.057 0.000 1.873 325 A HA -0.154 4.202 4.320 0.061 0.000 0.215 325 A C 2.152 179.768 177.584 0.053 0.000 1.186 325 A CA 0.947 53.011 52.037 0.045 0.000 0.616 325 A CB -0.505 18.520 19.000 0.042 0.000 0.823 325 A HN 0.119 nan 8.150 nan 0.000 0.442 326 I N -0.307 120.312 120.570 0.081 0.000 2.179 326 I HA -0.258 3.949 4.170 0.061 0.000 0.242 326 I C 2.444 178.638 176.117 0.128 0.000 1.088 326 I CA 1.580 62.976 61.300 0.160 0.000 1.357 326 I CB -0.571 37.447 38.000 0.030 0.000 1.051 326 I HN 0.435 nan 8.210 nan 0.000 0.409 327 E N 0.888 121.109 120.200 0.035 0.000 2.209 327 E HA -0.216 4.171 4.350 0.061 0.000 0.196 327 E C 2.158 178.779 176.600 0.033 0.000 0.993 327 E CA 1.300 57.733 56.400 0.055 0.000 0.819 327 E CB -0.124 29.637 29.700 0.101 0.000 0.745 327 E HN 0.527 nan 8.360 nan 0.000 0.477 328 A N 0.029 122.843 122.820 -0.009 0.000 2.123 328 A HA 0.188 4.545 4.320 0.061 0.000 0.214 328 A C 1.859 179.378 177.584 -0.108 0.000 1.152 328 A CA 1.066 53.074 52.037 -0.048 0.000 0.728 328 A CB -0.065 18.893 19.000 -0.071 0.000 0.814 328 A HN 0.352 nan 8.150 nan 0.000 0.464 329 G N -0.665 107.988 108.800 -0.245 0.000 2.176 329 G HA2 -0.185 3.812 3.960 0.061 0.000 0.232 329 G HA3 -0.185 3.812 3.960 0.061 0.000 0.232 329 G C -0.214 174.164 174.900 -0.870 0.000 0.986 329 G CA 0.218 44.871 45.100 -0.744 0.000 0.643 329 G HN 0.425 nan 8.290 nan 0.000 0.522 330 D N 1.172 121.347 120.400 -0.375 0.000 2.845 330 D HA 0.305 4.981 4.640 0.061 0.000 0.235 330 D C 0.760 176.995 176.300 -0.108 0.000 1.158 330 D CA -0.164 53.717 54.000 -0.197 0.000 0.990 330 D CB -0.707 40.082 40.800 -0.018 0.000 1.094 330 D HN 0.425 nan 8.370 nan 0.000 0.486 331 F N 1.314 121.268 119.950 0.006 0.000 2.608 331 F HA 0.081 4.645 4.527 0.062 0.000 0.380 331 F C -1.373 174.398 175.800 -0.047 0.000 1.083 331 F CA -1.799 56.196 58.000 -0.008 0.000 1.266 331 F CB 0.069 39.074 39.000 0.010 0.000 1.076 331 F HN -0.084 nan 8.300 nan 0.000 0.574 332 P HA 0.074 nan 4.420 nan 0.000 0.267 332 P C -1.144 176.106 177.300 -0.084 0.000 1.209 332 P CA 0.209 63.297 63.100 -0.020 0.000 0.763 332 P CB 0.546 32.313 31.700 0.111 0.000 0.816 333 E N 2.241 122.248 120.200 -0.320 0.000 2.266 333 E HA 0.497 4.884 4.350 0.061 0.000 0.268 333 E C -1.103 175.220 176.600 -0.462 0.000 0.879 333 E CA -0.582 55.695 56.400 -0.204 0.000 0.762 333 E CB 1.605 31.271 29.700 -0.056 0.000 1.199 333 E HN 0.374 nan 8.360 nan 0.000 0.422 334 Y N 0.229 120.600 120.300 0.119 0.000 2.457 334 Y HA 0.220 4.807 4.550 0.062 0.000 0.343 334 Y C -0.348 175.783 175.900 0.385 0.000 0.994 334 Y CA -0.949 57.294 58.100 0.238 0.000 1.031 334 Y CB 2.055 40.611 38.460 0.160 0.000 1.246 334 Y HN 0.470 nan 8.280 nan 0.000 0.449 335 E N 2.901 123.428 120.200 0.544 0.000 2.146 335 E HA 0.361 4.748 4.350 0.061 0.000 0.282 335 E C -1.391 175.507 176.600 0.497 0.000 0.989 335 E CA -0.903 55.779 56.400 0.470 0.000 0.799 335 E CB 0.903 30.818 29.700 0.359 0.000 1.088 335 E HN 0.575 nan 8.360 nan 0.000 0.397 336 L N 4.504 125.951 121.223 0.374 0.000 2.410 336 L HA 0.453 4.830 4.340 0.061 0.000 0.273 336 L C 0.016 176.829 176.870 -0.095 0.000 1.152 336 L CA 0.702 55.473 54.840 -0.115 0.000 0.855 336 L CB 0.943 42.875 42.059 -0.212 0.000 1.129 336 L HN 0.596 nan 8.230 nan 0.000 0.463 337 G N 4.425 113.178 108.800 -0.080 0.000 2.612 337 G HA2 0.582 4.578 3.960 0.061 0.000 0.298 337 G HA3 0.582 4.578 3.960 0.061 0.000 0.298 337 G C -1.628 173.388 174.900 0.192 0.000 1.336 337 G CA -0.511 44.572 45.100 -0.029 0.000 0.953 337 G HN 0.441 nan 8.290 nan 0.000 0.482 338 F N 0.243 120.214 119.950 0.036 0.000 2.507 338 F HA 0.364 4.928 4.527 0.062 0.000 0.325 338 F C 0.384 176.183 175.800 -0.001 0.000 1.116 338 F CA -0.992 57.035 58.000 0.045 0.000 0.930 338 F CB 2.566 41.580 39.000 0.023 0.000 1.146 338 F HN 0.156 nan 8.300 nan 0.000 0.447 339 Q N 4.372 124.298 119.800 0.210 0.000 2.294 339 Q HA 0.463 4.840 4.340 0.061 0.000 0.257 339 Q C -1.009 175.044 176.000 0.088 0.000 0.955 339 Q CA -0.277 55.594 55.803 0.113 0.000 0.936 339 Q CB 1.785 30.594 28.738 0.117 0.000 1.188 339 Q HN 0.531 nan 8.270 nan 0.000 0.420 340 L N 4.356 125.635 121.223 0.094 0.000 2.341 340 L HA 0.597 4.973 4.340 0.061 0.000 0.278 340 L C -0.564 176.365 176.870 0.098 0.000 1.005 340 L CA -0.629 54.254 54.840 0.073 0.000 0.818 340 L CB 1.387 43.497 42.059 0.084 0.000 1.259 340 L HN 0.507 nan 8.230 nan 0.000 0.418 341 I N 3.804 124.448 120.570 0.124 0.000 2.468 341 I HA 0.347 4.553 4.170 0.061 0.000 0.285 341 I C -2.395 173.838 176.117 0.192 0.000 1.039 341 I CA -2.055 59.359 61.300 0.189 0.000 1.074 341 I CB 2.240 40.381 38.000 0.236 0.000 1.228 341 I HN 0.236 nan 8.210 nan 0.000 0.436 342 P HA 0.019 nan 4.420 nan 0.000 0.267 342 P C 0.790 178.174 177.300 0.138 0.000 1.200 342 P CA 0.082 63.224 63.100 0.071 0.000 0.772 342 P CB 0.924 32.657 31.700 0.054 0.000 0.855 343 E N 2.458 122.670 120.200 0.019 0.000 2.147 343 E HA -0.286 4.101 4.350 0.061 0.000 0.199 343 E C 1.435 178.153 176.600 0.197 0.000 1.005 343 E CA 1.320 57.763 56.400 0.072 0.000 0.810 343 E CB 0.018 29.667 29.700 -0.084 0.000 0.736 343 E HN 0.507 nan 8.360 nan 0.000 0.460 344 E N 0.110 120.381 120.200 0.119 0.000 2.418 344 E HA -0.170 4.216 4.350 0.061 0.000 0.197 344 E C 0.420 177.083 176.600 0.105 0.000 1.026 344 E CA 0.861 57.328 56.400 0.113 0.000 0.862 344 E CB 0.055 29.797 29.700 0.070 0.000 0.799 344 E HN 0.259 nan 8.360 nan 0.000 0.518 345 D N 1.213 121.675 120.400 0.103 0.000 2.340 345 D HA -0.001 4.675 4.640 0.061 0.000 0.217 345 D C 1.361 177.673 176.300 0.021 0.000 1.081 345 D CA 0.028 54.053 54.000 0.042 0.000 0.842 345 D CB 0.171 40.995 40.800 0.041 0.000 0.934 345 D HN 0.397 nan 8.370 nan 0.000 0.511 346 E N -0.152 120.046 120.200 -0.003 0.000 2.114 346 E HA -0.213 4.174 4.350 0.061 0.000 0.199 346 E C 0.522 176.817 176.600 -0.507 0.000 1.008 346 E CA 1.165 57.355 56.400 -0.348 0.000 0.810 346 E CB 0.003 29.393 29.700 -0.517 0.000 0.739 346 E HN 0.271 nan 8.360 nan 0.000 0.456 347 F N -0.482 119.448 119.950 -0.033 0.000 2.641 347 F HA 0.258 4.821 4.527 0.061 0.000 0.302 347 F C 1.363 177.079 175.800 -0.141 0.000 1.098 347 F CA -0.184 57.777 58.000 -0.064 0.000 1.318 347 F CB 0.576 39.552 39.000 -0.039 0.000 1.035 347 F HN -0.178 nan 8.300 nan 0.000 0.551 348 K N -0.038 120.271 120.400 -0.152 0.000 2.487 348 K HA 0.107 4.463 4.320 0.061 0.000 0.192 348 K C -0.291 175.885 176.600 -0.708 0.000 1.027 348 K CA 0.365 56.408 56.287 -0.408 0.000 1.054 348 K CB 0.127 32.356 32.500 -0.451 0.000 0.824 348 K HN 0.113 nan 8.250 nan 0.000 0.510 349 F N 0.288 120.064 119.950 -0.290 0.000 2.509 349 F HA 0.122 4.686 4.527 0.061 0.000 0.334 349 F C 1.071 176.652 175.800 -0.364 0.000 1.060 349 F CA -1.380 56.351 58.000 -0.449 0.000 0.997 349 F CB 0.702 39.063 39.000 -1.064 0.000 1.271 349 F HN -0.037 nan 8.300 nan 0.000 0.488 350 D N -0.708 119.671 120.400 -0.036 0.000 2.328 350 D HA 0.071 4.747 4.640 0.061 0.000 0.226 350 D C -0.388 175.995 176.300 0.138 0.000 1.066 350 D CA 0.122 54.159 54.000 0.061 0.000 0.861 350 D CB -0.796 40.072 40.800 0.113 0.000 0.912 350 D HN 0.239 nan 8.370 nan 0.000 0.521 351 F N -1.495 118.532 119.950 0.128 0.000 2.618 351 F HA 0.538 5.101 4.527 0.060 0.000 0.332 351 F C -0.129 175.658 175.800 -0.021 0.000 1.061 351 F CA -1.795 56.204 58.000 -0.002 0.000 0.974 351 F CB 0.823 39.774 39.000 -0.082 0.000 1.310 351 F HN -0.336 nan 8.300 nan 0.000 0.491 352 D N 1.575 122.008 120.400 0.056 0.000 2.277 352 D HA 0.185 4.862 4.640 0.061 0.000 0.249 352 D C 1.024 177.278 176.300 -0.077 0.000 1.134 352 D CA -0.020 53.946 54.000 -0.057 0.000 0.863 352 D CB 1.435 42.204 40.800 -0.051 0.000 1.143 352 D HN 0.734 nan 8.370 nan 0.000 0.458 353 L N 3.498 124.615 121.223 -0.176 0.000 2.187 353 L HA -0.143 4.234 4.340 0.061 0.000 0.213 353 L C 1.967 178.713 176.870 -0.207 0.000 1.100 353 L CA 0.747 55.465 54.840 -0.202 0.000 0.765 353 L CB -0.044 41.759 42.059 -0.427 0.000 0.904 353 L HN 0.476 nan 8.230 nan 0.000 0.437 354 L N -0.909 120.203 121.223 -0.185 0.000 2.591 354 L HA 0.060 4.436 4.340 0.061 0.000 0.228 354 L C 0.371 177.168 176.870 -0.122 0.000 1.133 354 L CA -0.134 54.660 54.840 -0.078 0.000 0.880 354 L CB -0.251 41.860 42.059 0.087 0.000 1.033 354 L HN 0.107 nan 8.230 nan 0.000 0.450 355 D N 1.824 121.928 120.400 -0.494 0.000 2.347 355 D HA 0.129 4.805 4.640 0.061 0.000 0.235 355 D C -1.674 174.409 176.300 -0.361 0.000 1.149 355 D CA -2.261 51.195 54.000 -0.907 0.000 0.850 355 D CB 1.648 41.635 40.800 -1.355 0.000 1.061 355 D HN -0.074 nan 8.370 nan 0.000 0.487 356 P HA -0.003 nan 4.420 nan 0.000 0.249 356 P C 0.788 177.999 177.300 -0.149 0.000 1.229 356 P CA 0.422 63.458 63.100 -0.107 0.000 0.788 356 P CB -0.060 31.669 31.700 0.048 0.000 1.072 357 T N -4.306 110.152 114.554 -0.161 0.000 3.107 357 T HA 0.164 4.551 4.350 0.061 0.000 0.249 357 T C 0.719 175.339 174.700 -0.132 0.000 1.096 357 T CA -0.058 61.958 62.100 -0.140 0.000 1.012 357 T CB -0.203 68.627 68.868 -0.063 0.000 0.977 357 T HN -0.179 nan 8.240 nan 0.000 0.527 358 K N 2.062 122.289 120.400 -0.287 0.000 2.221 358 K HA 0.581 4.937 4.320 0.061 0.000 0.258 358 K C -0.305 176.132 176.600 -0.272 0.000 0.944 358 K CA -0.972 55.018 56.287 -0.494 0.000 0.823 358 K CB 2.054 34.117 32.500 -0.728 0.000 1.113 358 K HN 0.307 nan 8.250 nan 0.000 0.431 359 L N -0.226 120.986 121.223 -0.018 0.000 2.387 359 L HA 0.657 5.034 4.340 0.061 0.000 0.266 359 L C -0.002 176.707 176.870 -0.270 0.000 1.059 359 L CA -0.454 54.313 54.840 -0.121 0.000 0.801 359 L CB 0.303 42.367 42.059 0.009 0.000 1.223 359 L HN 0.441 nan 8.230 nan 0.000 0.456 360 I N 1.545 122.040 120.570 -0.125 0.000 2.307 360 I HA 0.367 4.574 4.170 0.061 0.000 0.289 360 I C -2.112 174.018 176.117 0.021 0.000 1.021 360 I CA -1.673 59.597 61.300 -0.049 0.000 1.224 360 I CB 1.215 39.201 38.000 -0.023 0.000 1.376 360 I HN 0.466 nan 8.210 nan 0.000 0.470 361 P HA 0.056 nan 4.420 nan 0.000 0.267 361 P C 0.278 177.637 177.300 0.097 0.000 1.205 361 P CA -0.027 63.109 63.100 0.062 0.000 0.765 361 P CB 0.585 32.314 31.700 0.047 0.000 0.828 362 E N 1.788 122.056 120.200 0.114 0.000 2.265 362 E HA -0.204 4.182 4.350 0.061 0.000 0.196 362 E C 1.329 177.979 176.600 0.084 0.000 0.996 362 E CA 0.803 57.259 56.400 0.094 0.000 0.832 362 E CB -0.032 29.726 29.700 0.097 0.000 0.756 362 E HN 0.515 nan 8.360 nan 0.000 0.491 363 E N 0.368 120.618 120.200 0.083 0.000 2.204 363 E HA -0.133 4.253 4.350 0.061 0.000 0.195 363 E C 2.005 178.665 176.600 0.100 0.000 0.990 363 E CA 0.732 57.179 56.400 0.077 0.000 0.821 363 E CB 0.101 29.840 29.700 0.065 0.000 0.750 363 E HN 0.380 nan 8.360 nan 0.000 0.477 364 L N -0.527 120.775 121.223 0.133 0.000 2.221 364 L HA 0.076 4.453 4.340 0.061 0.000 0.202 364 L C 0.612 177.601 176.870 0.199 0.000 1.074 364 L CA 0.384 55.343 54.840 0.199 0.000 0.795 364 L CB 0.480 42.723 42.059 0.307 0.000 0.960 364 L HN -0.212 nan 8.230 nan 0.000 0.458 365 V N 1.718 121.722 119.914 0.149 0.000 2.419 365 V HA 0.327 4.484 4.120 0.061 0.000 0.287 365 V C -2.359 173.780 176.094 0.076 0.000 1.017 365 V CA -1.403 60.972 62.300 0.124 0.000 0.844 365 V CB 1.721 33.609 31.823 0.108 0.000 1.011 365 V HN -0.032 nan 8.190 nan 0.000 0.429 366 P HA 0.224 nan 4.420 nan 0.000 0.274 366 P C -0.364 176.936 177.300 0.001 0.000 1.237 366 P CA -0.138 62.982 63.100 0.033 0.000 0.793 366 P CB 1.317 33.040 31.700 0.039 0.000 0.977 367 V N 2.955 122.835 119.914 -0.057 0.000 2.427 367 V HA 0.065 4.222 4.120 0.061 0.000 0.268 367 V C 0.966 177.049 176.094 -0.018 0.000 1.046 367 V CA 0.064 62.299 62.300 -0.109 0.000 0.970 367 V CB -0.018 31.648 31.823 -0.260 0.000 1.001 367 V HN 0.557 nan 8.190 nan 0.000 0.476 368 Q N 5.566 125.378 119.800 0.021 0.000 2.288 368 Q HA 0.294 4.670 4.340 0.061 0.000 0.258 368 Q C -0.011 175.983 176.000 -0.010 0.000 0.957 368 Q CA -0.652 55.164 55.803 0.022 0.000 0.919 368 Q CB 0.640 29.404 28.738 0.043 0.000 1.185 368 Q HN 0.647 nan 8.270 nan 0.000 0.408 369 R N 2.402 122.924 120.500 0.036 0.000 2.522 369 R HA 0.041 4.418 4.340 0.061 0.000 0.284 369 R C 0.365 176.714 176.300 0.082 0.000 1.032 369 R CA -0.105 56.066 56.100 0.119 0.000 1.049 369 R CB 0.752 31.174 30.300 0.203 0.000 0.956 369 R HN 0.544 nan 8.270 nan 0.000 0.422 370 V N 1.107 120.994 119.914 -0.045 0.000 3.137 370 V HA 0.368 4.525 4.120 0.061 0.000 0.236 370 V C 0.723 176.587 176.094 -0.383 0.000 1.260 370 V CA 1.028 63.168 62.300 -0.266 0.000 1.244 370 V CB 1.030 32.413 31.823 -0.733 0.000 1.016 370 V HN 0.987 nan 8.190 nan 0.000 0.477 371 G N -0.232 108.230 108.800 -0.565 0.000 2.430 371 G HA2 0.501 4.498 3.960 0.061 0.000 0.300 371 G HA3 0.501 4.498 3.960 0.061 0.000 0.300 371 G C -1.878 172.680 174.900 -0.571 0.000 1.330 371 G CA -0.505 43.989 45.100 -1.009 0.000 0.813 371 G HN 0.077 nan 8.290 nan 0.000 0.487 372 K N -0.423 119.679 120.400 -0.496 0.000 2.378 372 K HA 0.729 5.086 4.320 0.061 0.000 0.252 372 K C -0.962 175.696 176.600 0.096 0.000 0.931 372 K CA -0.784 55.499 56.287 -0.006 0.000 0.794 372 K CB 2.088 34.620 32.500 0.054 0.000 1.181 372 K HN 0.582 nan 8.250 nan 0.000 0.425 373 M N 4.621 124.397 119.600 0.293 0.000 2.383 373 M HA 0.405 4.922 4.480 0.061 0.000 0.325 373 M C -1.711 174.577 176.300 -0.019 0.000 1.092 373 M CA -0.816 54.591 55.300 0.179 0.000 0.961 373 M CB 1.769 34.501 32.600 0.218 0.000 1.672 373 M HN 0.370 nan 8.290 nan 0.000 0.438 374 V N 5.749 125.477 119.914 -0.310 0.000 2.444 374 V HA 0.427 4.584 4.120 0.061 0.000 0.294 374 V C -0.912 175.028 176.094 -0.256 0.000 1.022 374 V CA -0.859 61.258 62.300 -0.304 0.000 0.850 374 V CB 1.646 33.162 31.823 -0.512 0.000 0.992 374 V HN 0.642 nan 8.190 nan 0.000 0.426 375 L N 6.039 127.211 121.223 -0.085 0.000 2.255 375 L HA 0.481 4.857 4.340 0.061 0.000 0.289 375 L C 0.737 177.511 176.870 -0.159 0.000 1.046 375 L CA 0.157 54.948 54.840 -0.082 0.000 0.816 375 L CB 0.881 42.943 42.059 0.005 0.000 1.197 375 L HN 0.887 nan 8.230 nan 0.000 0.427 376 N N 2.248 120.764 118.700 -0.306 0.000 2.194 376 N HA 0.142 4.918 4.740 0.061 0.000 0.231 376 N C 0.090 175.391 175.510 -0.347 0.000 1.247 376 N CA -0.249 52.353 53.050 -0.747 0.000 0.884 376 N CB 0.824 38.550 38.487 -1.267 0.000 1.146 376 N HN 0.418 nan 8.380 nan 0.000 0.516 377 R N 0.089 120.505 120.500 -0.139 0.000 2.566 377 R HA 0.329 4.706 4.340 0.061 0.000 0.271 377 R C -1.260 174.990 176.300 -0.083 0.000 1.071 377 R CA -0.595 55.446 56.100 -0.097 0.000 0.915 377 R CB 1.376 31.625 30.300 -0.086 0.000 1.228 377 R HN 0.049 nan 8.270 nan 0.000 0.449 378 N N 2.800 121.332 118.700 -0.280 0.000 2.483 378 N HA 0.324 5.101 4.740 0.061 0.000 0.269 378 N C -2.304 173.122 175.510 -0.142 0.000 1.209 378 N CA -1.280 51.458 53.050 -0.521 0.000 0.969 378 N CB 0.665 38.168 38.487 -1.640 0.000 1.173 378 N HN 0.305 nan 8.380 nan 0.000 0.475 379 P HA 0.141 nan 4.420 nan 0.000 0.274 379 P C 0.078 177.560 177.300 0.302 0.000 1.256 379 P CA -0.139 63.151 63.100 0.317 0.000 0.795 379 P CB 1.087 33.015 31.700 0.379 0.000 1.038 380 D N -1.014 119.535 120.400 0.249 0.000 2.201 380 D HA -0.029 4.648 4.640 0.061 0.000 0.209 380 D C 0.431 176.906 176.300 0.290 0.000 0.961 380 D CA 1.395 55.541 54.000 0.244 0.000 0.861 380 D CB 0.241 41.123 40.800 0.137 0.000 0.997 380 D HN 0.377 nan 8.370 nan 0.000 0.486 381 N N -0.208 118.658 118.700 0.276 0.000 2.504 381 N HA 0.001 4.778 4.740 0.061 0.000 0.280 381 N C 0.066 175.787 175.510 0.352 0.000 1.052 381 N CA -0.346 52.881 53.050 0.295 0.000 0.887 381 N CB 1.463 40.088 38.487 0.230 0.000 1.323 381 N HN -0.164 nan 8.380 nan 0.000 0.509 382 F N 4.145 124.248 119.950 0.256 0.000 2.091 382 F HA -0.220 4.344 4.527 0.061 0.000 0.299 382 F C 1.662 177.591 175.800 0.215 0.000 1.103 382 F CA 1.669 59.820 58.000 0.252 0.000 1.228 382 F CB -0.093 39.031 39.000 0.207 0.000 0.984 382 F HN 0.603 nan 8.300 nan 0.000 0.477 383 F N 0.729 120.938 119.950 0.431 0.000 2.102 383 F HA -0.124 4.439 4.527 0.061 0.000 0.298 383 F C 2.304 178.176 175.800 0.119 0.000 1.105 383 F CA 1.660 59.828 58.000 0.281 0.000 1.239 383 F CB -0.976 38.154 39.000 0.217 0.000 0.991 383 F HN -0.003 nan 8.300 nan 0.000 0.474 384 A N -0.102 122.877 122.820 0.264 0.000 1.902 384 A HA -0.182 4.175 4.320 0.061 0.000 0.217 384 A C 2.091 179.618 177.584 -0.096 0.000 1.181 384 A CA 2.065 54.161 52.037 0.098 0.000 0.623 384 A CB -0.723 18.374 19.000 0.162 0.000 0.818 384 A HN 0.596 nan 8.150 nan 0.000 0.443 385 E N -1.299 118.854 120.200 -0.079 0.000 2.099 385 E HA -0.068 4.318 4.350 0.061 0.000 0.191 385 E C 1.983 178.488 176.600 -0.158 0.000 0.962 385 E CA 0.523 56.808 56.400 -0.192 0.000 0.826 385 E CB -0.156 29.474 29.700 -0.116 0.000 0.788 385 E HN 0.573 nan 8.360 nan 0.000 0.461 386 N N 1.440 120.043 118.700 -0.163 0.000 2.176 386 N HA -0.162 4.614 4.740 0.061 0.000 0.187 386 N C 1.848 177.190 175.510 -0.280 0.000 1.043 386 N CA 1.378 54.267 53.050 -0.268 0.000 0.851 386 N CB 0.011 37.912 38.487 -0.976 0.000 1.018 386 N HN -0.067 nan 8.380 nan 0.000 0.436 387 E N 0.806 120.784 120.200 -0.371 0.000 2.118 387 E HA -0.123 4.263 4.350 0.061 0.000 0.195 387 E C 1.663 178.073 176.600 -0.317 0.000 0.992 387 E CA 1.509 57.755 56.400 -0.257 0.000 0.804 387 E CB -0.168 29.388 29.700 -0.240 0.000 0.741 387 E HN 0.508 nan 8.360 nan 0.000 0.458 388 Q N -0.329 119.216 119.800 -0.424 0.000 2.444 388 Q HA 0.226 4.603 4.340 0.061 0.000 0.206 388 Q C -0.024 175.860 176.000 -0.192 0.000 0.948 388 Q CA 0.230 55.842 55.803 -0.319 0.000 0.946 388 Q CB 0.436 28.973 28.738 -0.335 0.000 1.027 388 Q HN 0.216 nan 8.270 nan 0.000 0.513 389 A N 1.189 123.919 122.820 -0.151 0.000 2.477 389 A HA 0.468 4.825 4.320 0.061 0.000 0.246 389 A C -0.145 177.332 177.584 -0.178 0.000 1.078 389 A CA 0.059 51.987 52.037 -0.182 0.000 0.770 389 A CB 0.275 19.250 19.000 -0.041 0.000 1.011 389 A HN 0.270 nan 8.150 nan 0.000 0.494 390 A N 2.660 125.327 122.820 -0.255 0.000 2.285 390 A HA 0.693 5.049 4.320 0.061 0.000 0.310 390 A C -0.725 176.726 177.584 -0.221 0.000 1.266 390 A CA -0.416 51.528 52.037 -0.155 0.000 0.832 390 A CB 0.117 19.034 19.000 -0.138 0.000 1.163 390 A HN 0.634 nan 8.150 nan 0.000 0.499 391 F N 0.997 120.956 119.950 0.016 0.000 2.425 391 F HA 0.629 5.193 4.527 0.061 0.000 0.331 391 F C 0.412 176.180 175.800 -0.053 0.000 1.085 391 F CA 0.042 58.023 58.000 -0.031 0.000 1.028 391 F CB 1.805 40.733 39.000 -0.122 0.000 1.177 391 F HN 0.748 nan 8.300 nan 0.000 0.487 392 H N 3.178 122.102 119.070 -0.243 0.000 3.099 392 H HA 0.272 4.869 4.556 0.070 0.000 0.342 392 H C -2.488 172.454 175.328 -0.643 0.000 1.054 392 H CA -1.656 54.004 56.048 -0.646 0.000 1.328 392 H CB 2.609 31.932 29.762 -0.731 0.000 1.876 392 H HN 0.187 nan 8.280 nan 0.000 0.495 393 P HA 0.017 nan 4.420 nan 0.000 0.233 393 P C 1.176 178.359 177.300 -0.194 0.000 1.167 393 P CA 1.193 63.995 63.100 -0.498 0.000 0.770 393 P CB 0.143 31.608 31.700 -0.391 0.000 0.837 394 G N -0.952 107.514 108.800 -0.557 0.000 2.598 394 G HA2 -0.156 3.840 3.960 0.061 0.000 0.215 394 G HA3 -0.156 3.840 3.960 0.061 0.000 0.215 394 G C 0.431 175.552 174.900 0.369 0.000 1.131 394 G CA 0.029 45.193 45.100 0.105 0.000 0.785 394 G HN 0.436 nan 8.290 nan 0.000 0.539 395 H N 0.658 119.847 119.070 0.198 0.000 3.014 395 H HA 0.358 4.947 4.556 0.056 0.000 0.266 395 H C 0.541 175.972 175.328 0.171 0.000 1.455 395 H CA -0.801 55.333 56.048 0.144 0.000 1.402 395 H CB 0.058 29.870 29.762 0.083 0.000 1.626 395 H HN 0.363 nan 8.280 nan 0.000 0.520 396 I N -0.250 120.448 120.570 0.212 0.000 3.217 396 I HA 0.695 4.902 4.170 0.061 0.000 0.308 396 I C -0.176 175.921 176.117 -0.033 0.000 1.091 396 I CA -1.373 59.967 61.300 0.067 0.000 1.013 396 I CB 1.864 39.791 38.000 -0.121 0.000 1.250 396 I HN 0.123 nan 8.210 nan 0.000 0.496 397 V N -2.347 117.528 119.914 -0.066 0.000 3.102 397 V HA 0.664 4.821 4.120 0.061 0.000 0.312 397 V C -2.852 173.343 176.094 0.170 0.000 1.135 397 V CA -2.539 59.789 62.300 0.046 0.000 1.022 397 V CB 1.015 32.844 31.823 0.010 0.000 1.056 397 V HN 0.618 nan 8.190 nan 0.000 0.436 398 P HA 0.362 nan 4.420 nan 0.000 0.262 398 P C 0.912 178.205 177.300 -0.011 0.000 1.182 398 P CA 2.098 65.263 63.100 0.108 0.000 0.761 398 P CB 0.695 32.437 31.700 0.069 0.000 0.795 399 G N 1.623 110.369 108.800 -0.090 0.000 2.218 399 G HA2 -0.164 3.833 3.960 0.061 0.000 0.216 399 G HA3 -0.164 3.833 3.960 0.061 0.000 0.216 399 G C -0.202 174.606 174.900 -0.152 0.000 0.994 399 G CA -0.414 44.613 45.100 -0.122 0.000 0.637 399 G HN 0.436 nan 8.290 nan 0.000 0.505 400 L N 0.051 121.196 121.223 -0.131 0.000 2.303 400 L HA 0.937 5.314 4.340 0.061 0.000 0.266 400 L C -0.314 176.489 176.870 -0.113 0.000 1.011 400 L CA -1.066 53.675 54.840 -0.165 0.000 0.818 400 L CB 1.940 43.833 42.059 -0.277 0.000 1.326 400 L HN 0.093 nan 8.230 nan 0.000 0.435 401 D N -0.830 119.483 120.400 -0.146 0.000 2.665 401 D HA 0.430 5.107 4.640 0.061 0.000 0.287 401 D C -1.208 174.993 176.300 -0.164 0.000 1.266 401 D CA -0.398 53.472 54.000 -0.216 0.000 0.830 401 D CB 1.784 42.544 40.800 -0.068 0.000 1.356 401 D HN 0.115 nan 8.370 nan 0.000 0.437 402 F N -0.106 119.972 119.950 0.214 0.000 2.348 402 F HA 0.473 5.037 4.527 0.062 0.000 0.308 402 F C 1.605 177.434 175.800 0.048 0.000 1.175 402 F CA -0.225 57.834 58.000 0.098 0.000 1.080 402 F CB 0.945 39.975 39.000 0.050 0.000 1.341 402 F HN 0.196 nan 8.300 nan 0.000 0.518 403 T N -3.200 111.458 114.554 0.174 0.000 2.724 403 T HA 0.305 4.691 4.350 0.061 0.000 0.274 403 T C 0.122 174.871 174.700 0.082 0.000 0.984 403 T CA -0.954 61.233 62.100 0.145 0.000 1.024 403 T CB 1.001 69.930 68.868 0.103 0.000 1.320 403 T HN 0.353 nan 8.240 nan 0.000 0.555 404 N N 1.068 119.815 118.700 0.079 0.000 2.449 404 N HA 0.059 4.835 4.740 0.061 0.000 0.191 404 N C 0.070 175.595 175.510 0.026 0.000 1.161 404 N CA 0.077 53.155 53.050 0.046 0.000 0.863 404 N CB -0.476 38.054 38.487 0.071 0.000 0.980 404 N HN 0.682 nan 8.380 nan 0.000 0.458 405 D N 2.438 122.839 120.400 0.003 0.000 2.793 405 D HA -0.094 4.582 4.640 0.061 0.000 0.230 405 D C -1.339 174.958 176.300 -0.006 0.000 1.139 405 D CA -0.739 53.280 54.000 0.032 0.000 0.838 405 D CB 1.226 41.987 40.800 -0.065 0.000 1.149 405 D HN 0.165 nan 8.370 nan 0.000 0.526 406 P HA -0.100 nan 4.420 nan 0.000 0.233 406 P C 1.510 178.825 177.300 0.026 0.000 1.167 406 P CA 0.091 63.208 63.100 0.028 0.000 0.770 406 P CB 0.466 32.175 31.700 0.015 0.000 0.837 407 L N -0.257 120.999 121.223 0.054 0.000 2.102 407 L HA 0.030 4.407 4.340 0.061 0.000 0.202 407 L C 2.406 179.185 176.870 -0.151 0.000 1.076 407 L CA 1.182 56.048 54.840 0.043 0.000 0.761 407 L CB -1.599 40.580 42.059 0.201 0.000 0.921 407 L HN -0.170 nan 8.230 nan 0.000 0.444 408 L N -0.528 120.435 121.223 -0.433 0.000 2.042 408 L HA -0.233 4.144 4.340 0.061 0.000 0.210 408 L C 2.441 179.064 176.870 -0.412 0.000 1.076 408 L CA 1.795 56.187 54.840 -0.748 0.000 0.749 408 L CB -0.868 40.561 42.059 -1.049 0.000 0.893 408 L HN 0.373 nan 8.230 nan 0.000 0.432 409 Q N -0.242 119.391 119.800 -0.278 0.000 2.096 409 Q HA -0.149 4.228 4.340 0.061 0.000 0.204 409 Q C 2.097 178.016 176.000 -0.135 0.000 0.982 409 Q CA 1.801 57.481 55.803 -0.206 0.000 0.850 409 Q CB -0.754 27.915 28.738 -0.114 0.000 0.901 409 Q HN 0.699 nan 8.270 nan 0.000 0.422 410 G N 0.352 109.102 108.800 -0.083 0.000 2.464 410 G HA2 -0.184 3.812 3.960 0.061 0.000 0.217 410 G HA3 -0.184 3.812 3.960 0.061 0.000 0.217 410 G C 1.499 176.414 174.900 0.024 0.000 1.138 410 G CA 0.043 45.139 45.100 -0.006 0.000 0.793 410 G HN 0.236 nan 8.290 nan 0.000 0.539 411 R N -0.028 120.436 120.500 -0.060 0.000 2.105 411 R HA -0.011 4.365 4.340 0.061 0.000 0.239 411 R C 2.475 178.863 176.300 0.146 0.000 1.135 411 R CA 0.974 57.103 56.100 0.049 0.000 0.967 411 R CB -0.504 29.787 30.300 -0.015 0.000 0.861 411 R HN 0.347 nan 8.270 nan 0.000 0.442 412 L N -0.400 120.797 121.223 -0.042 0.000 2.127 412 L HA -0.216 4.160 4.340 0.061 0.000 0.211 412 L C 2.313 179.325 176.870 0.237 0.000 1.089 412 L CA 1.196 56.039 54.840 0.006 0.000 0.757 412 L CB -0.511 41.396 42.059 -0.252 0.000 0.899 412 L HN 0.156 nan 8.230 nan 0.000 0.434 413 F N 0.211 120.195 119.950 0.058 0.000 2.163 413 F HA -0.200 4.349 4.527 0.036 0.000 0.297 413 F C 2.800 178.639 175.800 0.065 0.000 1.094 413 F CA 1.634 59.662 58.000 0.047 0.000 1.290 413 F CB -0.245 38.760 39.000 0.009 0.000 1.017 413 F HN -0.036 nan 8.300 nan 0.000 0.483 414 S N -0.825 114.900 115.700 0.042 0.000 2.368 414 S HA -0.205 4.301 4.470 0.061 0.000 0.224 414 S C 2.022 176.483 174.600 -0.230 0.000 1.029 414 S CA 1.329 59.430 58.200 -0.166 0.000 0.988 414 S CB -0.786 62.326 63.200 -0.146 0.000 0.838 414 S HN 0.530 nan 8.310 nan 0.000 0.462 415 Y N 1.522 121.824 120.300 0.004 0.000 2.439 415 Y HA -0.001 4.583 4.550 0.056 0.000 0.292 415 Y C 2.838 178.424 175.900 -0.522 0.000 1.130 415 Y CA 1.277 59.399 58.100 0.038 0.000 1.254 415 Y CB -0.509 38.811 38.460 1.433 0.000 1.000 415 Y HN 0.281 nan 8.280 nan 0.000 0.554 416 T N -0.823 113.352 114.554 -0.632 0.000 2.814 416 T HA -0.156 4.231 4.350 0.061 0.000 0.254 416 T C 1.438 175.918 174.700 -0.366 0.000 1.037 416 T CA 1.440 63.252 62.100 -0.479 0.000 1.143 416 T CB -0.387 68.265 68.868 -0.361 0.000 0.866 416 T HN 0.315 nan 8.240 nan 0.000 0.431 417 D N 0.903 121.026 120.400 -0.462 0.000 2.106 417 D HA -0.144 4.533 4.640 0.061 0.000 0.191 417 D C 2.265 178.403 176.300 -0.270 0.000 0.997 417 D CA 1.787 55.534 54.000 -0.420 0.000 0.834 417 D CB -0.533 39.833 40.800 -0.723 0.000 0.956 417 D HN 0.252 nan 8.370 nan 0.000 0.448 418 T N -1.029 113.360 114.554 -0.276 0.000 2.833 418 T HA -0.140 4.246 4.350 0.061 0.000 0.269 418 T C 1.654 176.229 174.700 -0.208 0.000 1.054 418 T CA 1.276 63.257 62.100 -0.198 0.000 1.135 418 T CB -0.238 68.512 68.868 -0.197 0.000 0.869 418 T HN 0.168 nan 8.240 nan 0.000 0.466 419 Q N 0.782 120.380 119.800 -0.338 0.000 2.291 419 Q HA -0.035 4.342 4.340 0.061 0.000 0.206 419 Q C 2.241 178.123 176.000 -0.196 0.000 0.976 419 Q CA 0.753 56.301 55.803 -0.425 0.000 0.875 419 Q CB -0.501 27.555 28.738 -1.138 0.000 0.927 419 Q HN 0.521 nan 8.270 nan 0.000 0.450 420 I N 1.093 121.601 120.570 -0.104 0.000 2.264 420 I HA -0.219 3.987 4.170 0.061 0.000 0.248 420 I C 2.371 178.498 176.117 0.016 0.000 1.111 420 I CA 1.808 63.113 61.300 0.008 0.000 1.382 420 I CB -1.440 36.569 38.000 0.016 0.000 1.060 420 I HN 0.220 nan 8.210 nan 0.000 0.418 421 S N 0.367 116.060 115.700 -0.011 0.000 2.404 421 S HA -0.064 4.443 4.470 0.061 0.000 0.223 421 S C 2.181 176.784 174.600 0.006 0.000 1.040 421 S CA 0.157 58.363 58.200 0.009 0.000 0.957 421 S CB -0.341 62.864 63.200 0.009 0.000 0.826 421 S HN 0.308 nan 8.310 nan 0.000 0.491 422 R N 0.826 121.309 120.500 -0.030 0.000 2.081 422 R HA 0.173 4.550 4.340 0.061 0.000 0.235 422 R C 1.401 177.691 176.300 -0.017 0.000 1.131 422 R CA 1.388 57.472 56.100 -0.027 0.000 0.960 422 R CB -0.216 30.044 30.300 -0.067 0.000 0.856 422 R HN 0.447 nan 8.270 nan 0.000 0.436 423 L N -0.900 120.305 121.223 -0.031 0.000 2.857 423 L HA 0.318 4.695 4.340 0.061 0.000 0.249 423 L C 0.862 177.767 176.870 0.059 0.000 1.172 423 L CA 0.313 55.150 54.840 -0.006 0.000 0.980 423 L CB 1.151 43.195 42.059 -0.025 0.000 1.299 423 L HN 0.572 nan 8.230 nan 0.000 0.535 424 G N 0.008 108.865 108.800 0.094 0.000 2.179 424 G HA2 -0.155 3.842 3.960 0.061 0.000 0.260 424 G HA3 -0.155 3.842 3.960 0.061 0.000 0.260 424 G C 0.487 175.524 174.900 0.228 0.000 0.977 424 G CA 0.073 45.287 45.100 0.191 0.000 0.641 424 G HN 0.775 nan 8.290 nan 0.000 0.533 425 G N -1.514 107.404 108.800 0.197 0.000 2.352 425 G HA2 0.584 4.581 3.960 0.061 0.000 0.283 425 G HA3 0.584 4.581 3.960 0.061 0.000 0.283 425 G C -2.301 172.756 174.900 0.262 0.000 1.308 425 G CA 0.446 45.659 45.100 0.188 0.000 0.892 425 G HN 0.518 nan 8.290 nan 0.000 0.504 426 P HA 0.160 nan 4.420 nan 0.000 0.255 426 P C 0.248 177.574 177.300 0.044 0.000 1.248 426 P CA 0.231 63.446 63.100 0.192 0.000 0.807 426 P CB 0.217 31.983 31.700 0.111 0.000 1.150 427 N N 0.600 119.332 118.700 0.054 0.000 2.375 427 N HA 0.040 4.817 4.740 0.061 0.000 0.220 427 N C 1.076 176.444 175.510 -0.237 0.000 1.170 427 N CA -0.100 52.872 53.050 -0.130 0.000 0.833 427 N CB -0.768 37.677 38.487 -0.071 0.000 1.069 427 N HN 0.286 nan 8.380 nan 0.000 0.479 428 F N 0.815 120.754 119.950 -0.018 0.000 2.333 428 F HA -0.107 4.447 4.527 0.044 0.000 0.300 428 F C 2.223 177.961 175.800 -0.104 0.000 1.083 428 F CA 0.868 58.829 58.000 -0.066 0.000 1.395 428 F CB -0.794 38.187 39.000 -0.032 0.000 1.056 428 F HN 0.192 nan 8.300 nan 0.000 0.529 429 H N 0.319 119.045 119.070 -0.574 0.000 2.546 429 H HA 0.066 4.658 4.556 0.059 0.000 0.277 429 H C 0.968 176.137 175.328 -0.264 0.000 1.004 429 H CA 1.301 57.094 56.048 -0.425 0.000 1.231 429 H CB -0.789 28.577 29.762 -0.660 0.000 1.382 429 H HN 0.518 nan 8.280 nan 0.000 0.580 430 E N 0.940 120.709 120.200 -0.719 0.000 2.435 430 E HA 0.148 4.535 4.350 0.061 0.000 0.195 430 E C 0.351 176.832 176.600 -0.198 0.000 1.029 430 E CA -0.224 55.929 56.400 -0.411 0.000 0.865 430 E CB 0.410 29.860 29.700 -0.416 0.000 0.833 430 E HN 0.447 nan 8.360 nan 0.000 0.510 431 I N 2.254 122.729 120.570 -0.158 0.000 2.618 431 I HA -0.038 4.169 4.170 0.061 0.000 0.284 431 I C -1.591 174.464 176.117 -0.104 0.000 1.146 431 I CA -1.499 59.738 61.300 -0.106 0.000 1.425 431 I CB 0.727 38.678 38.000 -0.081 0.000 1.383 431 I HN -0.206 nan 8.210 nan 0.000 0.562 432 P HA -0.230 nan 4.420 nan 0.000 0.215 432 P C 1.744 178.968 177.300 -0.126 0.000 1.157 432 P CA 1.187 64.228 63.100 -0.100 0.000 0.874 432 P CB 0.181 31.829 31.700 -0.087 0.000 0.790 433 I N -0.545 119.924 120.570 -0.168 0.000 2.335 433 I HA -0.222 3.985 4.170 0.061 0.000 0.251 433 I C 1.364 177.398 176.117 -0.137 0.000 1.129 433 I CA 1.751 62.900 61.300 -0.252 0.000 1.402 433 I CB -0.639 37.099 38.000 -0.436 0.000 1.069 433 I HN -0.086 nan 8.210 nan 0.000 0.424 434 N N 0.510 119.151 118.700 -0.099 0.000 2.424 434 N HA 0.026 4.803 4.740 0.061 0.000 0.178 434 N C 0.374 175.888 175.510 0.007 0.000 1.060 434 N CA 0.232 53.254 53.050 -0.047 0.000 0.901 434 N CB -0.117 38.358 38.487 -0.019 0.000 0.979 434 N HN 0.374 nan 8.380 nan 0.000 0.451 435 R N 1.505 122.005 120.500 0.000 0.000 2.537 435 R HA 0.154 4.531 4.340 0.061 0.000 0.280 435 R C -2.231 174.125 176.300 0.094 0.000 1.058 435 R CA -1.177 54.928 56.100 0.009 0.000 1.057 435 R CB -0.097 30.195 30.300 -0.013 0.000 0.973 435 R HN 0.018 nan 8.270 nan 0.000 0.438 436 P HA -0.022 nan 4.420 nan 0.000 0.269 436 P C 0.565 177.928 177.300 0.106 0.000 1.215 436 P CA 0.056 63.231 63.100 0.125 0.000 0.780 436 P CB 0.754 32.495 31.700 0.068 0.000 0.898 437 T N -2.306 112.320 114.554 0.121 0.000 3.057 437 T HA 0.033 4.420 4.350 0.061 0.000 0.254 437 T C 0.931 175.669 174.700 0.065 0.000 1.094 437 T CA 0.092 62.222 62.100 0.050 0.000 1.088 437 T CB -0.976 67.901 68.868 0.016 0.000 0.934 437 T HN 0.568 nan 8.240 nan 0.000 0.497 438 C N 1.274 120.628 119.300 0.091 0.000 2.396 438 C HA 0.718 5.215 4.460 0.061 0.000 0.359 438 C C -2.411 172.632 174.990 0.087 0.000 1.307 438 C CA -2.435 56.635 59.018 0.086 0.000 2.392 438 C CB -0.298 27.498 27.740 0.094 0.000 2.245 438 C HN 0.170 nan 8.230 nan 0.000 0.615 439 P HA 0.255 nan 4.420 nan 0.000 0.268 439 P C -1.185 176.177 177.300 0.103 0.000 1.204 439 P CA 0.475 63.639 63.100 0.107 0.000 0.768 439 P CB -0.033 31.778 31.700 0.185 0.000 0.842 440 Y N 1.789 121.968 120.300 -0.202 0.000 2.361 440 Y HA 0.669 5.256 4.550 0.061 0.000 0.337 440 Y C -1.186 174.387 175.900 -0.545 0.000 0.965 440 Y CA -0.904 57.058 58.100 -0.229 0.000 1.091 440 Y CB 1.412 39.765 38.460 -0.178 0.000 1.182 440 Y HN 0.443 nan 8.280 nan 0.000 0.450 441 H N 3.704 122.699 119.070 -0.126 0.000 2.954 441 H HA 0.517 5.109 4.556 0.061 0.000 0.361 441 H C -1.207 174.012 175.328 -0.183 0.000 1.122 441 H CA -0.827 55.055 56.048 -0.276 0.000 1.217 441 H CB 1.682 31.298 29.762 -0.244 0.000 1.776 441 H HN 0.897 nan 8.280 nan 0.000 0.533 442 N N 0.293 118.890 118.700 -0.172 0.000 3.387 442 N HA 0.170 4.946 4.740 0.061 0.000 0.294 442 N C -1.264 174.009 175.510 -0.396 0.000 1.519 442 N CA -0.923 51.974 53.050 -0.255 0.000 0.875 442 N CB 0.590 39.081 38.487 0.006 0.000 1.657 442 N HN 0.314 nan 8.380 nan 0.000 0.527 443 F N -0.388 119.607 119.950 0.076 0.000 2.664 443 F HA 0.357 4.916 4.527 0.054 0.000 0.303 443 F C 0.462 176.308 175.800 0.076 0.000 1.092 443 F CA -0.368 57.672 58.000 0.066 0.000 1.305 443 F CB 0.190 39.224 39.000 0.056 0.000 1.054 443 F HN 0.145 nan 8.300 nan 0.000 0.565 444 Q N 1.711 121.621 119.800 0.184 0.000 2.364 444 Q HA 0.345 4.721 4.340 0.061 0.000 0.267 444 Q C 0.021 176.099 176.000 0.130 0.000 0.999 444 Q CA 0.139 56.026 55.803 0.141 0.000 0.886 444 Q CB 0.874 29.668 28.738 0.093 0.000 1.243 444 Q HN 0.073 nan 8.270 nan 0.000 0.415 445 R N 1.706 122.275 120.500 0.115 0.000 2.774 445 R HA 0.339 4.716 4.340 0.061 0.000 0.272 445 R C -0.651 175.697 176.300 0.080 0.000 1.000 445 R CA -0.598 55.562 56.100 0.100 0.000 0.906 445 R CB 1.314 31.675 30.300 0.103 0.000 1.227 445 R HN 0.717 nan 8.270 nan 0.000 0.468 446 D N -0.101 120.338 120.400 0.067 0.000 3.507 446 D HA -0.170 4.507 4.640 0.061 0.000 0.195 446 D C 0.296 176.624 176.300 0.046 0.000 1.323 446 D CA 1.919 55.948 54.000 0.048 0.000 1.106 446 D CB -1.152 39.673 40.800 0.042 0.000 0.619 446 D HN 0.906 nan 8.370 nan 0.000 0.732 447 G N -1.052 107.768 108.800 0.034 0.000 2.716 447 G HA2 0.186 4.182 3.960 0.061 0.000 0.686 447 G HA3 0.186 4.182 3.960 0.061 0.000 0.686 447 G C -0.214 174.687 174.900 0.003 0.000 1.337 447 G CA 0.095 45.214 45.100 0.031 0.000 0.829 447 G HN 0.792 nan 8.290 nan 0.000 0.599 448 M N 1.790 121.372 119.600 -0.030 0.000 2.252 448 M HA 0.422 4.938 4.480 0.061 0.000 0.329 448 M C 1.361 177.609 176.300 -0.087 0.000 1.101 448 M CA 1.096 56.289 55.300 -0.179 0.000 1.117 448 M CB -0.576 31.824 32.600 -0.333 0.000 1.563 448 M HN 1.490 nan 8.290 nan 0.000 0.445 449 H N -0.136 118.938 119.070 0.006 0.000 2.626 449 H HA -0.189 4.402 4.556 0.059 0.000 0.317 449 H C -0.344 174.974 175.328 -0.016 0.000 1.140 449 H CA 0.656 56.703 56.048 -0.002 0.000 1.134 449 H CB -2.092 27.671 29.762 0.001 0.000 1.486 449 H HN 0.563 nan 8.280 nan 0.000 0.417 450 R N 1.238 121.779 120.500 0.068 0.000 2.446 450 R HA 0.067 4.444 4.340 0.061 0.000 0.314 450 R C 0.938 177.254 176.300 0.027 0.000 1.003 450 R CA 0.074 56.197 56.100 0.038 0.000 1.018 450 R CB 0.280 30.599 30.300 0.032 0.000 0.945 450 R HN 0.415 nan 8.270 nan 0.000 0.419 451 M N 2.634 122.236 119.600 0.003 0.000 2.412 451 M HA 0.199 4.716 4.480 0.061 0.000 0.263 451 M C 0.979 177.278 176.300 -0.002 0.000 1.122 451 M CA 1.035 56.333 55.300 -0.004 0.000 1.179 451 M CB -0.879 31.704 32.600 -0.028 0.000 1.335 451 M HN 0.686 nan 8.290 nan 0.000 0.465 452 G N 2.051 110.853 108.800 0.003 0.000 2.343 452 G HA2 0.364 4.361 3.960 0.061 0.000 0.254 452 G HA3 0.364 4.361 3.960 0.061 0.000 0.254 452 G C -0.311 174.588 174.900 -0.001 0.000 1.277 452 G CA -0.349 44.750 45.100 -0.002 0.000 0.909 452 G HN 0.322 nan 8.290 nan 0.000 0.502 453 I N 2.998 123.560 120.570 -0.013 0.000 2.307 453 I HA 0.098 4.305 4.170 0.061 0.000 0.287 453 I C -0.223 175.887 176.117 -0.012 0.000 1.054 453 I CA -0.506 60.791 61.300 -0.005 0.000 1.218 453 I CB 0.899 38.896 38.000 -0.005 0.000 1.398 453 I HN 0.361 nan 8.210 nan 0.000 0.475 454 D N 4.796 125.195 120.400 -0.002 0.000 2.351 454 D HA 0.071 4.747 4.640 0.061 0.000 0.251 454 D C 1.169 177.473 176.300 0.007 0.000 1.137 454 D CA 0.232 54.228 54.000 -0.006 0.000 0.879 454 D CB 1.889 42.694 40.800 0.008 0.000 1.181 454 D HN 0.566 nan 8.370 nan 0.000 0.448 455 T N -0.755 113.799 114.554 -0.001 0.000 3.069 455 T HA -0.053 4.334 4.350 0.061 0.000 0.252 455 T C 0.810 175.522 174.700 0.019 0.000 1.053 455 T CA -0.550 61.555 62.100 0.007 0.000 0.964 455 T CB 0.148 69.013 68.868 -0.005 0.000 1.005 455 T HN 0.122 nan 8.240 nan 0.000 0.532 456 N N 3.280 121.995 118.700 0.024 0.000 2.411 456 N HA 0.088 4.864 4.740 0.061 0.000 0.261 456 N C -1.678 173.877 175.510 0.076 0.000 1.248 456 N CA -1.454 51.625 53.050 0.048 0.000 0.885 456 N CB 1.413 39.931 38.487 0.053 0.000 1.062 456 N HN 0.057 nan 8.380 nan 0.000 0.471 457 P HA -0.020 nan 4.420 nan 0.000 0.219 457 P C -0.596 176.770 177.300 0.110 0.000 1.146 457 P CA 0.947 64.097 63.100 0.083 0.000 0.808 457 P CB 0.205 31.948 31.700 0.072 0.000 0.779 458 A N 0.656 123.533 122.820 0.095 0.000 2.305 458 A HA 0.370 4.726 4.320 0.061 0.000 0.322 458 A C 0.481 178.182 177.584 0.195 0.000 1.187 458 A CA -0.648 51.399 52.037 0.017 0.000 0.825 458 A CB -0.061 18.751 19.000 -0.313 0.000 1.164 458 A HN 0.270 nan 8.150 nan 0.000 0.498 459 N N 0.680 119.532 118.700 0.252 0.000 2.338 459 N HA 0.360 5.136 4.740 0.061 0.000 0.251 459 N C -0.797 174.882 175.510 0.282 0.000 1.199 459 N CA -0.356 52.916 53.050 0.369 0.000 0.879 459 N CB 0.232 38.887 38.487 0.279 0.000 1.159 459 N HN 0.704 nan 8.380 nan 0.000 0.514 460 Y N -1.164 118.989 120.300 -0.245 0.000 2.638 460 Y HA 0.665 5.249 4.550 0.057 0.000 0.335 460 Y C -1.459 173.806 175.900 -1.058 0.000 1.155 460 Y CA -1.402 56.386 58.100 -0.520 0.000 1.046 460 Y CB 1.017 39.339 38.460 -0.231 0.000 1.303 460 Y HN 0.078 nan 8.280 nan 0.000 0.460 461 E N 0.481 120.201 120.200 -0.799 0.000 2.390 461 E HA 0.612 4.999 4.350 0.061 0.000 0.277 461 E C -3.156 173.345 176.600 -0.164 0.000 0.939 461 E CA -2.067 53.983 56.400 -0.582 0.000 0.769 461 E CB 1.499 30.823 29.700 -0.627 0.000 1.251 461 E HN 0.588 nan 8.360 nan 0.000 0.450 462 P HA 0.224 nan 4.420 nan 0.000 0.271 462 P C -1.240 175.998 177.300 -0.103 0.000 1.216 462 P CA -0.326 62.707 63.100 -0.112 0.000 0.776 462 P CB 0.374 32.043 31.700 -0.052 0.000 0.881 463 N N -1.045 117.512 118.700 -0.238 0.000 2.225 463 N HA 0.287 5.064 4.740 0.061 0.000 0.298 463 N C 0.338 175.783 175.510 -0.108 0.000 1.076 463 N CA -0.748 52.156 53.050 -0.244 0.000 0.792 463 N CB 1.542 39.559 38.487 -0.783 0.000 1.498 463 N HN 0.189 nan 8.380 nan 0.000 0.474 464 S N 1.282 116.972 115.700 -0.017 0.000 2.503 464 S HA -0.031 4.476 4.470 0.061 0.000 0.217 464 S C 1.515 176.119 174.600 0.008 0.000 0.999 464 S CA 0.138 58.332 58.200 -0.009 0.000 0.914 464 S CB -0.801 62.408 63.200 0.016 0.000 0.782 464 S HN 0.726 nan 8.310 nan 0.000 0.520 465 I N -1.087 119.494 120.570 0.019 0.000 3.111 465 I HA 0.270 4.477 4.170 0.061 0.000 0.272 465 I C 1.190 177.336 176.117 0.048 0.000 1.268 465 I CA 0.997 62.324 61.300 0.046 0.000 1.467 465 I CB -0.337 37.713 38.000 0.082 0.000 1.087 465 I HN 0.162 nan 8.210 nan 0.000 0.467 466 N N 1.333 120.057 118.700 0.041 0.000 2.365 466 N HA 0.042 4.819 4.740 0.061 0.000 0.257 466 N C -0.105 175.497 175.510 0.153 0.000 1.287 466 N CA -0.078 53.039 53.050 0.112 0.000 0.882 466 N CB -0.006 38.564 38.487 0.138 0.000 1.250 466 N HN 0.183 nan 8.380 nan 0.000 0.507 467 D N 0.930 121.364 120.400 0.057 0.000 2.737 467 D HA -0.261 4.416 4.640 0.061 0.000 0.233 467 D C -0.152 176.011 176.300 -0.229 0.000 1.155 467 D CA 1.027 55.009 54.000 -0.030 0.000 0.667 467 D CB -1.301 39.543 40.800 0.073 0.000 1.060 467 D HN 0.498 nan 8.370 nan 0.000 0.427 468 N N -1.562 117.050 118.700 -0.146 0.000 2.782 468 N HA -0.244 4.532 4.740 0.061 0.000 0.251 468 N C -0.904 174.539 175.510 -0.112 0.000 1.101 468 N CA 1.396 54.337 53.050 -0.181 0.000 0.764 468 N CB -1.312 37.016 38.487 -0.264 0.000 1.122 468 N HN 0.553 nan 8.380 nan 0.000 0.561 469 W N 0.726 122.077 121.300 0.085 0.000 2.512 469 W HA 0.485 5.180 4.660 0.059 0.000 0.335 469 W C -1.708 174.858 176.519 0.078 0.000 1.088 469 W CA -1.825 55.557 57.345 0.061 0.000 1.236 469 W CB 0.896 30.342 29.460 -0.023 0.000 1.307 469 W HN -0.063 nan 8.180 nan 0.000 0.567 470 P HA 0.150 nan 4.420 nan 0.000 0.271 470 P C -0.734 176.734 177.300 0.281 0.000 1.218 470 P CA -0.004 63.249 63.100 0.255 0.000 0.780 470 P CB 0.936 32.616 31.700 -0.032 0.000 0.901 471 R N 1.380 122.049 120.500 0.283 0.000 2.474 471 R HA 0.305 4.682 4.340 0.061 0.000 0.295 471 R C 0.353 176.714 176.300 0.102 0.000 0.980 471 R CA -0.828 55.313 56.100 0.067 0.000 0.934 471 R CB 1.058 31.211 30.300 -0.245 0.000 1.101 471 R HN 0.494 nan 8.270 nan 0.000 0.469 472 E N 0.881 121.124 120.200 0.072 0.000 2.459 472 E HA -0.032 4.355 4.350 0.061 0.000 0.264 472 E C -0.503 176.131 176.600 0.057 0.000 1.055 472 E CA 0.860 57.302 56.400 0.071 0.000 0.957 472 E CB 0.525 30.254 29.700 0.048 0.000 0.952 472 E HN 0.365 nan 8.360 nan 0.000 0.448 473 T N 3.647 118.242 114.554 0.068 0.000 2.841 473 T HA 0.335 4.722 4.350 0.061 0.000 0.285 473 T C -2.413 172.314 174.700 0.046 0.000 0.991 473 T CA -1.499 60.638 62.100 0.061 0.000 0.966 473 T CB 1.553 70.467 68.868 0.078 0.000 0.962 473 T HN 0.226 nan 8.240 nan 0.000 0.438 474 P HA 0.203 nan 4.420 nan 0.000 0.268 474 P C -2.356 174.952 177.300 0.013 0.000 1.208 474 P CA -1.003 62.107 63.100 0.017 0.000 0.777 474 P CB -0.137 31.568 31.700 0.009 0.000 0.875 475 P HA 0.330 nan 4.420 nan 0.000 0.272 475 P C -0.100 177.188 177.300 -0.019 0.000 1.230 475 P CA 0.212 63.299 63.100 -0.022 0.000 0.788 475 P CB 0.828 32.494 31.700 -0.056 0.000 0.949 476 G N 0.082 108.868 108.800 -0.023 0.000 2.428 476 G HA2 0.322 4.319 3.960 0.061 0.000 0.304 476 G HA3 0.322 4.319 3.960 0.061 0.000 0.304 476 G C -2.595 172.293 174.900 -0.020 0.000 1.303 476 G CA -0.685 44.405 45.100 -0.017 0.000 0.825 476 G HN 0.093 nan 8.290 nan 0.000 0.484 477 P HA 0.055 nan 4.420 nan 0.000 0.216 477 P C 0.236 177.530 177.300 -0.010 0.000 1.150 477 P CA 1.309 64.399 63.100 -0.016 0.000 0.837 477 P CB 0.122 31.816 31.700 -0.010 0.000 0.786 478 K N -2.314 118.087 120.400 0.002 0.000 2.562 478 K HA 0.347 4.704 4.320 0.061 0.000 0.267 478 K C -0.342 176.272 176.600 0.024 0.000 0.938 478 K CA -0.903 55.392 56.287 0.013 0.000 0.840 478 K CB 1.899 34.408 32.500 0.016 0.000 1.390 478 K HN -0.340 nan 8.250 nan 0.000 0.428 479 R N -0.590 119.932 120.500 0.037 0.000 3.863 479 R HA -0.152 4.225 4.340 0.061 0.000 0.313 479 R C 0.032 176.361 176.300 0.048 0.000 1.202 479 R CA 1.057 57.186 56.100 0.048 0.000 0.852 479 R CB -2.226 28.102 30.300 0.046 0.000 1.292 479 R HN 0.936 nan 8.270 nan 0.000 0.519 480 G N -0.660 108.163 108.800 0.038 0.000 2.502 480 G HA2 0.586 4.583 3.960 0.061 0.000 0.305 480 G HA3 0.586 4.583 3.960 0.061 0.000 0.305 480 G C 0.439 175.371 174.900 0.053 0.000 1.190 480 G CA 0.089 45.210 45.100 0.034 0.000 0.933 480 G HN 0.246 nan 8.290 nan 0.000 0.503 481 G N -1.328 107.505 108.800 0.055 0.000 2.606 481 G HA2 0.389 4.386 3.960 0.061 0.000 0.252 481 G HA3 0.389 4.386 3.960 0.061 0.000 0.252 481 G C -0.639 174.314 174.900 0.088 0.000 1.206 481 G CA -0.561 44.594 45.100 0.092 0.000 0.861 481 G HN 0.456 nan 8.290 nan 0.000 0.561 482 F N 0.439 120.406 119.950 0.027 0.000 2.472 482 F HA 0.362 4.929 4.527 0.066 0.000 0.364 482 F C 0.563 176.379 175.800 0.026 0.000 1.090 482 F CA -0.243 57.769 58.000 0.020 0.000 1.188 482 F CB 0.789 39.803 39.000 0.025 0.000 1.105 482 F HN 0.440 nan 8.300 nan 0.000 0.536 483 E N 4.331 124.186 120.200 -0.575 0.000 2.234 483 E HA 0.311 4.697 4.350 0.061 0.000 0.266 483 E C -0.961 175.327 176.600 -0.521 0.000 0.877 483 E CA -0.808 55.402 56.400 -0.317 0.000 0.758 483 E CB 1.468 31.064 29.700 -0.173 0.000 1.170 483 E HN 0.619 nan 8.360 nan 0.000 0.415 484 S N 2.641 118.261 115.700 -0.133 0.000 2.560 484 S HA -0.055 4.452 4.470 0.061 0.000 0.284 484 S C -0.465 174.126 174.600 -0.016 0.000 1.327 484 S CA -0.234 57.968 58.200 0.004 0.000 1.055 484 S CB 0.059 63.378 63.200 0.197 0.000 0.868 484 S HN 0.467 nan 8.310 nan 0.000 0.506 485 Y N 2.621 122.859 120.300 -0.104 0.000 2.717 485 Y HA -0.031 4.555 4.550 0.060 0.000 0.330 485 Y C 0.889 176.770 175.900 -0.032 0.000 1.217 485 Y CA 0.074 58.123 58.100 -0.086 0.000 1.506 485 Y CB 0.118 38.524 38.460 -0.089 0.000 1.268 485 Y HN 0.583 nan 8.280 nan 0.000 0.561 486 Q N 5.221 124.649 119.800 -0.620 0.000 3.254 486 Q HA 0.020 4.397 4.340 0.061 0.000 0.315 486 Q C -0.178 175.499 176.000 -0.539 0.000 1.405 486 Q CA -0.051 55.492 55.803 -0.434 0.000 0.966 486 Q CB -0.211 28.353 28.738 -0.290 0.000 1.706 486 Q HN 0.644 nan 8.270 nan 0.000 0.525 487 E N 1.530 121.484 120.200 -0.410 0.000 2.414 487 E HA -0.034 4.353 4.350 0.061 0.000 0.263 487 E C -0.188 176.370 176.600 -0.070 0.000 1.000 487 E CA -0.412 55.890 56.400 -0.163 0.000 0.914 487 E CB 0.616 30.375 29.700 0.099 0.000 0.948 487 E HN 0.128 nan 8.360 nan 0.000 0.444 488 R N 3.261 123.747 120.500 -0.024 0.000 2.401 488 R HA 0.147 4.524 4.340 0.061 0.000 0.299 488 R C -1.439 174.883 176.300 0.037 0.000 1.064 488 R CA -0.111 55.990 56.100 0.002 0.000 1.000 488 R CB 0.576 30.888 30.300 0.019 0.000 0.973 488 R HN 0.269 nan 8.270 nan 0.000 0.438 489 V N 5.222 125.151 119.914 0.026 0.000 2.417 489 V HA 0.416 4.573 4.120 0.061 0.000 0.291 489 V C -0.313 175.796 176.094 0.025 0.000 1.024 489 V CA -0.537 61.784 62.300 0.035 0.000 0.861 489 V CB 1.561 33.402 31.823 0.030 0.000 0.985 489 V HN 0.803 nan 8.190 nan 0.000 0.436 490 E N 2.898 123.115 120.200 0.028 0.000 2.294 490 E HA 0.682 5.069 4.350 0.061 0.000 0.272 490 E C -0.136 176.472 176.600 0.014 0.000 0.896 490 E CA -0.405 56.005 56.400 0.017 0.000 0.802 490 E CB 2.271 31.981 29.700 0.017 0.000 1.267 490 E HN 0.983 nan 8.360 nan 0.000 0.406 491 G N 2.418 111.222 108.800 0.006 0.000 2.316 491 G HA2 0.148 4.144 3.960 0.061 0.000 0.296 491 G HA3 0.148 4.144 3.960 0.061 0.000 0.296 491 G C -1.425 173.472 174.900 -0.006 0.000 1.399 491 G CA -1.022 44.078 45.100 -0.000 0.000 0.833 491 G HN 0.349 nan 8.290 nan 0.000 0.565 492 N N -0.075 118.618 118.700 -0.011 0.000 2.476 492 N HA 0.432 5.209 4.740 0.061 0.000 0.275 492 N C -0.166 175.333 175.510 -0.018 0.000 1.190 492 N CA -0.544 52.498 53.050 -0.013 0.000 0.977 492 N CB 0.857 39.334 38.487 -0.015 0.000 1.200 492 N HN 0.422 nan 8.380 nan 0.000 0.515 493 K N 1.044 121.432 120.400 -0.019 0.000 2.351 493 K HA 0.164 4.521 4.320 0.061 0.000 0.287 493 K C -0.758 175.823 176.600 -0.032 0.000 1.068 493 K CA -0.124 56.148 56.287 -0.025 0.000 0.998 493 K CB -0.357 32.129 32.500 -0.022 0.000 0.968 493 K HN 0.359 nan 8.250 nan 0.000 0.464 494 V N 0.363 120.253 119.914 -0.040 0.000 2.925 494 V HA 0.479 4.636 4.120 0.061 0.000 0.311 494 V C -0.574 175.482 176.094 -0.063 0.000 1.104 494 V CA -1.342 60.930 62.300 -0.047 0.000 0.954 494 V CB 1.989 33.786 31.823 -0.044 0.000 1.022 494 V HN 0.602 nan 8.190 nan 0.000 0.427 495 R N 2.601 123.059 120.500 -0.070 0.000 2.369 495 R HA 0.624 5.001 4.340 0.061 0.000 0.310 495 R C -0.488 175.765 176.300 -0.080 0.000 1.141 495 R CA -0.147 55.898 56.100 -0.090 0.000 1.116 495 R CB 0.835 31.066 30.300 -0.115 0.000 1.135 495 R HN 0.936 nan 8.270 nan 0.000 0.529 496 E N 2.141 122.290 120.200 -0.084 0.000 2.321 496 E HA 0.201 4.588 4.350 0.061 0.000 0.281 496 E C -1.242 175.290 176.600 -0.115 0.000 0.910 496 E CA -1.026 55.326 56.400 -0.079 0.000 0.770 496 E CB 1.517 31.178 29.700 -0.066 0.000 1.225 496 E HN 0.145 nan 8.360 nan 0.000 0.417 497 R N 1.874 122.309 120.500 -0.109 0.000 2.401 497 R HA 0.144 4.521 4.340 0.061 0.000 0.299 497 R C -0.414 175.765 176.300 -0.203 0.000 1.064 497 R CA 0.244 56.239 56.100 -0.174 0.000 1.000 497 R CB 0.870 31.123 30.300 -0.078 0.000 0.973 497 R HN 0.405 nan 8.270 nan 0.000 0.438 498 S N 5.313 120.781 115.700 -0.388 0.000 2.546 498 S HA 0.053 4.560 4.470 0.061 0.000 0.290 498 S C -1.463 173.107 174.600 -0.049 0.000 1.290 498 S CA -1.094 56.970 58.200 -0.227 0.000 1.069 498 S CB 0.599 63.634 63.200 -0.276 0.000 0.846 498 S HN 0.535 nan 8.310 nan 0.000 0.495 499 P HA -0.110 nan 4.420 nan 0.000 0.217 499 P C 1.517 178.872 177.300 0.091 0.000 1.148 499 P CA 1.361 64.484 63.100 0.038 0.000 0.828 499 P CB -0.102 31.612 31.700 0.022 0.000 0.783 500 S N -2.199 113.597 115.700 0.159 0.000 2.474 500 S HA -0.102 4.405 4.470 0.061 0.000 0.235 500 S C 1.415 176.172 174.600 0.263 0.000 0.997 500 S CA 0.808 59.128 58.200 0.200 0.000 0.949 500 S CB -1.350 62.002 63.200 0.253 0.000 0.766 500 S HN -0.007 nan 8.310 nan 0.000 0.517 501 F N 2.282 122.221 119.950 -0.018 0.000 2.789 501 F HA 0.372 4.935 4.527 0.061 0.000 0.300 501 F C 1.987 177.709 175.800 -0.130 0.000 1.132 501 F CA -0.796 57.187 58.000 -0.030 0.000 1.404 501 F CB -0.642 38.374 39.000 0.026 0.000 1.114 501 F HN 0.353 nan 8.300 nan 0.000 0.584 502 G N 0.324 109.113 108.800 -0.018 0.000 3.530 502 G HA2 0.085 4.082 3.960 0.061 0.000 0.269 502 G HA3 0.085 4.082 3.960 0.061 0.000 0.269 502 G C -0.013 174.453 174.900 -0.724 0.000 1.314 502 G CA 0.114 45.036 45.100 -0.296 0.000 1.441 502 G HN 0.048 nan 8.290 nan 0.000 0.595 503 E N -0.036 119.662 120.200 -0.836 0.000 2.275 503 E HA 0.372 4.759 4.350 0.061 0.000 0.270 503 E C -0.935 175.214 176.600 -0.750 0.000 0.882 503 E CA -0.781 55.179 56.400 -0.733 0.000 0.758 503 E CB 1.646 31.179 29.700 -0.279 0.000 1.195 503 E HN 0.177 nan 8.360 nan 0.000 0.419 504 Y N 2.456 122.529 120.300 -0.378 0.000 2.448 504 Y HA 0.194 4.781 4.550 0.061 0.000 0.257 504 Y C 0.726 176.344 175.900 -0.470 0.000 1.089 504 Y CA -0.150 57.638 58.100 -0.521 0.000 1.245 504 Y CB 0.379 38.373 38.460 -0.776 0.000 1.282 504 Y HN 0.418 nan 8.280 nan 0.000 0.529 505 Y N -0.989 119.400 120.300 0.147 0.000 2.535 505 Y HA 0.073 4.660 4.550 0.062 0.000 0.266 505 Y C 2.454 178.417 175.900 0.104 0.000 1.088 505 Y CA 0.303 58.483 58.100 0.133 0.000 1.285 505 Y CB -0.409 38.133 38.460 0.138 0.000 1.166 505 Y HN 0.058 nan 8.280 nan 0.000 0.525 506 S N -0.840 114.987 115.700 0.212 0.000 2.387 506 S HA -0.161 4.346 4.470 0.061 0.000 0.226 506 S C 1.608 176.291 174.600 0.139 0.000 1.026 506 S CA 1.248 59.560 58.200 0.186 0.000 0.972 506 S CB -0.790 62.519 63.200 0.182 0.000 0.814 506 S HN 0.528 nan 8.310 nan 0.000 0.477 507 H N 2.587 121.570 119.070 -0.146 0.000 2.326 507 H HA 0.033 4.626 4.556 0.061 0.000 0.301 507 H C -0.492 174.636 175.328 -0.333 0.000 1.081 507 H CA 1.447 57.260 56.048 -0.392 0.000 1.334 507 H CB -1.406 27.881 29.762 -0.792 0.000 1.385 507 H HN 0.411 nan 8.280 nan 0.000 0.504 508 P HA -0.202 nan 4.420 nan 0.000 0.216 508 P C 1.643 179.111 177.300 0.280 0.000 1.157 508 P CA 1.562 64.800 63.100 0.230 0.000 0.880 508 P CB -0.135 31.730 31.700 0.275 0.000 0.791 509 R N -0.449 120.175 120.500 0.207 0.000 2.075 509 R HA -0.124 4.253 4.340 0.061 0.000 0.232 509 R C 2.163 178.587 176.300 0.208 0.000 1.126 509 R CA 1.125 57.353 56.100 0.212 0.000 0.963 509 R CB -1.017 29.374 30.300 0.152 0.000 0.858 509 R HN 0.081 nan 8.270 nan 0.000 0.435 510 L N 0.484 121.773 121.223 0.110 0.000 2.046 510 L HA -0.130 4.246 4.340 0.061 0.000 0.208 510 L C 1.962 178.881 176.870 0.083 0.000 1.077 510 L CA 1.704 56.571 54.840 0.045 0.000 0.747 510 L CB -0.702 41.309 42.059 -0.081 0.000 0.896 510 L HN 0.222 nan 8.230 nan 0.000 0.432 511 F N -0.761 119.197 119.950 0.013 0.000 2.102 511 F HA -0.265 4.299 4.527 0.062 0.000 0.298 511 F C 2.314 178.101 175.800 -0.022 0.000 1.105 511 F CA 2.110 60.087 58.000 -0.037 0.000 1.239 511 F CB -0.579 38.408 39.000 -0.022 0.000 0.991 511 F HN 0.389 nan 8.300 nan 0.000 0.474 512 W N 1.262 122.562 121.300 0.000 0.000 2.358 512 W HA -0.222 4.474 4.660 0.061 0.000 0.303 512 W C 1.596 178.001 176.519 -0.190 0.000 1.208 512 W CA 1.597 58.890 57.345 -0.087 0.000 1.274 512 W CB -0.641 28.850 29.460 0.051 0.000 1.138 512 W HN 0.075 nan 8.180 nan 0.000 0.515 513 L N 1.083 122.250 121.223 -0.094 0.000 2.376 513 L HA -0.125 4.251 4.340 0.061 0.000 0.219 513 L C 2.305 178.992 176.870 -0.305 0.000 1.133 513 L CA 0.942 55.655 54.840 -0.212 0.000 0.816 513 L CB -0.576 41.473 42.059 -0.016 0.000 0.933 513 L HN -0.150 nan 8.230 nan 0.000 0.449 514 S N -1.423 114.074 115.700 -0.338 0.000 2.558 514 S HA 0.066 4.573 4.470 0.061 0.000 0.217 514 S C 0.705 175.016 174.600 -0.482 0.000 0.975 514 S CA 0.035 58.028 58.200 -0.345 0.000 0.912 514 S CB 0.064 63.089 63.200 -0.290 0.000 0.776 514 S HN 0.290 nan 8.310 nan 0.000 0.526 515 Q N 2.088 121.501 119.800 -0.645 0.000 2.260 515 Q HA 0.305 4.682 4.340 0.061 0.000 0.238 515 Q C 0.596 176.204 176.000 -0.653 0.000 0.948 515 Q CA -0.127 55.256 55.803 -0.700 0.000 0.895 515 Q CB 0.431 28.690 28.738 -0.798 0.000 1.218 515 Q HN 0.408 nan 8.270 nan 0.000 0.470 516 T N -2.156 111.965 114.554 -0.721 0.000 2.766 516 T HA 0.179 4.566 4.350 0.061 0.000 0.295 516 T C -1.766 172.474 174.700 -0.766 0.000 1.024 516 T CA -1.375 60.274 62.100 -0.753 0.000 1.018 516 T CB 0.372 68.568 68.868 -1.120 0.000 1.002 516 T HN 0.207 nan 8.240 nan 0.000 0.532 517 P HA -0.027 nan 4.420 nan 0.000 0.216 517 P C 1.403 178.491 177.300 -0.353 0.000 1.150 517 P CA 1.034 63.913 63.100 -0.368 0.000 0.837 517 P CB -0.276 31.330 31.700 -0.157 0.000 0.786 518 F N -0.168 119.585 119.950 -0.328 0.000 2.325 518 F HA 0.039 4.603 4.527 0.061 0.000 0.299 518 F C 1.778 177.212 175.800 -0.609 0.000 1.090 518 F CA 0.822 58.570 58.000 -0.420 0.000 1.392 518 F CB -1.562 37.187 39.000 -0.418 0.000 1.053 518 F HN -0.088 nan 8.300 nan 0.000 0.521 519 E N 0.565 120.180 120.200 -0.975 0.000 2.106 519 E HA -0.187 4.200 4.350 0.061 0.000 0.192 519 E C 2.212 178.604 176.600 -0.346 0.000 0.984 519 E CA 1.240 57.280 56.400 -0.601 0.000 0.806 519 E CB -0.246 29.065 29.700 -0.649 0.000 0.750 519 E HN 0.619 nan 8.360 nan 0.000 0.458 520 Q N 0.430 119.947 119.800 -0.471 0.000 2.050 520 Q HA -0.182 4.195 4.340 0.061 0.000 0.202 520 Q C 2.314 178.341 176.000 0.046 0.000 0.980 520 Q CA 1.092 56.648 55.803 -0.411 0.000 0.840 520 Q CB -0.188 28.019 28.738 -0.885 0.000 0.898 520 Q HN 0.135 nan 8.270 nan 0.000 0.424 521 R N 0.307 120.812 120.500 0.008 0.000 2.091 521 R HA -0.193 4.184 4.340 0.061 0.000 0.238 521 R C 1.740 178.228 176.300 0.314 0.000 1.136 521 R CA 1.767 57.971 56.100 0.173 0.000 0.959 521 R CB -0.211 30.178 30.300 0.148 0.000 0.856 521 R HN 0.524 nan 8.270 nan 0.000 0.437 522 H N -0.519 118.644 119.070 0.155 0.000 2.428 522 H HA -0.036 4.557 4.556 0.061 0.000 0.296 522 H C 2.242 177.689 175.328 0.198 0.000 1.062 522 H CA 1.074 57.230 56.048 0.181 0.000 1.350 522 H CB 0.073 29.948 29.762 0.189 0.000 1.403 522 H HN 0.216 nan 8.280 nan 0.000 0.533 523 I N 0.297 121.084 120.570 0.361 0.000 2.163 523 I HA -0.275 3.932 4.170 0.061 0.000 0.243 523 I C 2.322 178.733 176.117 0.490 0.000 1.085 523 I CA 0.887 62.438 61.300 0.418 0.000 1.347 523 I CB -0.195 38.147 38.000 0.570 0.000 1.044 523 I HN 0.080 nan 8.210 nan 0.000 0.408 524 V N 0.909 121.107 119.914 0.473 0.000 2.282 524 V HA -0.339 3.817 4.120 0.061 0.000 0.249 524 V C 2.063 178.335 176.094 0.296 0.000 1.057 524 V CA 2.195 64.718 62.300 0.371 0.000 1.032 524 V CB -0.702 31.301 31.823 0.299 0.000 0.645 524 V HN 0.427 nan 8.190 nan 0.000 0.447 525 D N 0.320 120.876 120.400 0.261 0.000 2.178 525 D HA -0.101 4.576 4.640 0.061 0.000 0.201 525 D C 2.136 178.520 176.300 0.140 0.000 0.980 525 D CA 1.533 55.653 54.000 0.200 0.000 0.842 525 D CB -0.530 40.386 40.800 0.194 0.000 0.948 525 D HN 0.496 nan 8.370 nan 0.000 0.472 526 G N -0.092 108.773 108.800 0.107 0.000 2.404 526 G HA2 -0.219 3.778 3.960 0.061 0.000 0.214 526 G HA3 -0.219 3.778 3.960 0.061 0.000 0.214 526 G C 1.445 176.342 174.900 -0.006 0.000 1.189 526 G CA 0.072 45.142 45.100 -0.051 0.000 0.789 526 G HN 0.151 nan 8.290 nan 0.000 0.533 527 F N 1.973 121.960 119.950 0.061 0.000 2.095 527 F HA -0.102 4.462 4.527 0.061 0.000 0.298 527 F C 3.178 178.890 175.800 -0.147 0.000 1.104 527 F CA 1.657 59.617 58.000 -0.067 0.000 1.232 527 F CB -0.408 38.566 39.000 -0.043 0.000 0.987 527 F HN 0.085 nan 8.300 nan 0.000 0.475 528 S N -0.127 115.676 115.700 0.171 0.000 2.356 528 S HA -0.228 4.279 4.470 0.061 0.000 0.223 528 S C 1.902 176.525 174.600 0.038 0.000 1.032 528 S CA 1.352 59.595 58.200 0.072 0.000 1.005 528 S CB -0.880 62.384 63.200 0.108 0.000 0.867 528 S HN 0.394 nan 8.310 nan 0.000 0.449 529 F N 2.457 122.372 119.950 -0.058 0.000 2.126 529 F HA -0.135 4.428 4.527 0.061 0.000 0.299 529 F C 2.380 178.116 175.800 -0.106 0.000 1.096 529 F CA 1.531 59.484 58.000 -0.079 0.000 1.255 529 F CB -0.180 38.719 39.000 -0.168 0.000 0.997 529 F HN 0.167 nan 8.300 nan 0.000 0.479 530 E N 0.391 120.563 120.200 -0.046 0.000 2.047 530 E HA -0.181 4.205 4.350 0.061 0.000 0.191 530 E C 2.352 178.763 176.600 -0.316 0.000 0.987 530 E CA 1.459 57.800 56.400 -0.098 0.000 0.799 530 E CB -0.453 29.332 29.700 0.142 0.000 0.752 530 E HN 0.461 nan 8.360 nan 0.000 0.449 531 L N 1.044 121.989 121.223 -0.463 0.000 2.201 531 L HA -0.113 4.264 4.340 0.061 0.000 0.212 531 L C 2.393 179.101 176.870 -0.271 0.000 1.105 531 L CA 0.517 55.068 54.840 -0.482 0.000 0.775 531 L CB -0.199 41.583 42.059 -0.461 0.000 0.913 531 L HN 0.015 nan 8.230 nan 0.000 0.440 532 S N -0.423 115.132 115.700 -0.242 0.000 2.447 532 S HA -0.082 4.425 4.470 0.061 0.000 0.233 532 S C 1.647 176.134 174.600 -0.188 0.000 1.006 532 S CA 0.948 59.032 58.200 -0.195 0.000 0.957 532 S CB -0.037 63.048 63.200 -0.192 0.000 0.773 532 S HN 0.292 nan 8.310 nan 0.000 0.507 533 K N 1.176 121.443 120.400 -0.222 0.000 2.404 533 K HA 0.248 4.605 4.320 0.061 0.000 0.194 533 K C -0.057 176.538 176.600 -0.009 0.000 1.023 533 K CA 0.026 56.238 56.287 -0.123 0.000 1.094 533 K CB -0.116 32.298 32.500 -0.144 0.000 0.841 533 K HN 0.185 nan 8.250 nan 0.000 0.523 534 V N 2.115 122.005 119.914 -0.040 0.000 2.427 534 V HA 0.008 4.165 4.120 0.061 0.000 0.268 534 V C 1.734 177.817 176.094 -0.018 0.000 1.046 534 V CA -0.103 62.200 62.300 0.006 0.000 0.970 534 V CB 1.318 33.115 31.823 -0.043 0.000 1.001 534 V HN -0.123 nan 8.190 nan 0.000 0.476 535 V N 5.210 125.135 119.914 0.019 0.000 2.453 535 V HA -0.058 4.099 4.120 0.061 0.000 0.247 535 V C 1.331 177.414 176.094 -0.018 0.000 1.048 535 V CA 1.352 63.660 62.300 0.012 0.000 1.049 535 V CB -0.451 31.398 31.823 0.042 0.000 0.672 535 V HN 0.753 nan 8.190 nan 0.000 0.457 536 R N 0.788 121.252 120.500 -0.059 0.000 2.210 536 R HA 0.194 4.571 4.340 0.061 0.000 0.338 536 R C -1.762 174.424 176.300 -0.190 0.000 1.062 536 R CA -1.441 54.597 56.100 -0.103 0.000 0.902 536 R CB 0.751 30.921 30.300 -0.217 0.000 1.050 536 R HN 0.245 nan 8.270 nan 0.000 0.461 537 P HA -0.183 nan 4.420 nan 0.000 0.218 537 P C 0.727 177.989 177.300 -0.064 0.000 1.149 537 P CA 1.001 64.069 63.100 -0.053 0.000 0.817 537 P CB -0.001 31.705 31.700 0.010 0.000 0.785 538 Y N -1.117 119.185 120.300 0.003 0.000 2.315 538 Y HA -0.117 4.470 4.550 0.061 0.000 0.288 538 Y C 1.865 177.773 175.900 0.013 0.000 1.154 538 Y CA 0.780 58.883 58.100 0.004 0.000 1.229 538 Y CB -1.751 36.712 38.460 0.004 0.000 0.980 538 Y HN -0.098 nan 8.280 nan 0.000 0.540 539 I N 0.860 120.977 120.570 -0.755 0.000 2.286 539 I HA -0.231 3.976 4.170 0.061 0.000 0.245 539 I C 2.517 178.543 176.117 -0.152 0.000 1.104 539 I CA 1.268 62.315 61.300 -0.423 0.000 1.397 539 I CB -0.384 37.370 38.000 -0.409 0.000 1.072 539 I HN 0.186 nan 8.210 nan 0.000 0.417 540 R N 0.961 121.364 120.500 -0.161 0.000 2.096 540 R HA -0.215 4.161 4.340 0.061 0.000 0.240 540 R C 2.124 178.376 176.300 -0.079 0.000 1.139 540 R CA 1.695 57.718 56.100 -0.130 0.000 0.952 540 R CB -0.556 29.666 30.300 -0.131 0.000 0.854 540 R HN 0.460 nan 8.270 nan 0.000 0.436 541 E N 0.513 120.687 120.200 -0.044 0.000 2.058 541 E HA -0.198 4.189 4.350 0.061 0.000 0.194 541 E C 2.187 178.792 176.600 0.008 0.000 0.997 541 E CA 1.259 57.654 56.400 -0.008 0.000 0.801 541 E CB -0.079 29.640 29.700 0.032 0.000 0.746 541 E HN 0.285 nan 8.360 nan 0.000 0.450 542 R N 0.218 120.739 120.500 0.034 0.000 2.115 542 R HA -0.085 4.291 4.340 0.061 0.000 0.230 542 R C 2.382 178.707 176.300 0.042 0.000 1.111 542 R CA 0.825 56.959 56.100 0.055 0.000 0.976 542 R CB -0.142 30.212 30.300 0.090 0.000 0.870 542 R HN 0.043 nan 8.270 nan 0.000 0.445 543 V N 0.116 120.050 119.914 0.033 0.000 2.358 543 V HA -0.199 3.958 4.120 0.061 0.000 0.246 543 V C 2.220 178.300 176.094 -0.024 0.000 1.047 543 V CA 1.483 63.817 62.300 0.056 0.000 1.035 543 V CB -0.244 31.630 31.823 0.085 0.000 0.658 543 V HN 0.123 nan 8.190 nan 0.000 0.452 544 V N 0.603 120.475 119.914 -0.071 0.000 2.392 544 V HA -0.330 3.827 4.120 0.061 0.000 0.249 544 V C 2.287 178.339 176.094 -0.069 0.000 1.059 544 V CA 2.525 64.758 62.300 -0.111 0.000 1.051 544 V CB -0.699 31.065 31.823 -0.099 0.000 0.658 544 V HN 0.683 nan 8.190 nan 0.000 0.455 545 D N -0.987 119.405 120.400 -0.012 0.000 2.144 545 D HA -0.188 4.488 4.640 0.061 0.000 0.199 545 D C 2.262 178.635 176.300 0.123 0.000 0.984 545 D CA 1.012 55.038 54.000 0.044 0.000 0.834 545 D CB 0.017 40.856 40.800 0.066 0.000 0.955 545 D HN 0.341 nan 8.370 nan 0.000 0.465 546 Q N -0.146 119.693 119.800 0.065 0.000 2.079 546 Q HA -0.076 4.300 4.340 0.061 0.000 0.200 546 Q C 2.552 178.573 176.000 0.035 0.000 0.974 546 Q CA 0.667 56.513 55.803 0.072 0.000 0.840 546 Q CB -0.254 28.548 28.738 0.107 0.000 0.898 546 Q HN 0.459 nan 8.270 nan 0.000 0.430 547 L N 0.183 121.366 121.223 -0.067 0.000 2.131 547 L HA -0.140 4.237 4.340 0.061 0.000 0.210 547 L C 2.364 179.119 176.870 -0.192 0.000 1.092 547 L CA 0.980 55.705 54.840 -0.193 0.000 0.759 547 L CB -0.678 41.160 42.059 -0.368 0.000 0.903 547 L HN 0.100 nan 8.230 nan 0.000 0.435 548 A N -0.745 121.985 122.820 -0.150 0.000 2.125 548 A HA -0.207 4.150 4.320 0.061 0.000 0.219 548 A C 1.745 179.150 177.584 -0.298 0.000 1.156 548 A CA 1.341 53.255 52.037 -0.204 0.000 0.671 548 A CB -0.714 18.176 19.000 -0.183 0.000 0.794 548 A HN 0.457 nan 8.150 nan 0.000 0.459 549 H N -1.341 117.529 119.070 -0.334 0.000 2.551 549 H HA 0.278 4.871 4.556 0.062 0.000 0.266 549 H C 1.606 176.677 175.328 -0.429 0.000 0.964 549 H CA 0.902 56.626 56.048 -0.539 0.000 1.180 549 H CB 0.107 29.158 29.762 -1.185 0.000 1.408 549 H HN 0.495 nan 8.280 nan 0.000 0.563 550 I N -1.077 119.404 120.570 -0.148 0.000 2.685 550 I HA 0.066 4.273 4.170 0.061 0.000 0.251 550 I C -0.154 175.898 176.117 -0.109 0.000 1.102 550 I CA 0.544 61.823 61.300 -0.035 0.000 1.442 550 I CB 0.631 38.634 38.000 0.005 0.000 1.194 550 I HN 0.098 nan 8.210 nan 0.000 0.448 551 D N -0.983 119.279 120.400 -0.230 0.000 2.804 551 D HA 0.204 4.881 4.640 0.061 0.000 0.209 551 D C 0.124 176.247 176.300 -0.295 0.000 1.314 551 D CA -0.359 53.476 54.000 -0.276 0.000 0.894 551 D CB 1.270 41.760 40.800 -0.517 0.000 1.615 551 D HN -0.219 nan 8.370 nan 0.000 0.571 552 L N 2.457 123.568 121.223 -0.187 0.000 2.156 552 L HA 0.036 4.412 4.340 0.061 0.000 0.208 552 L C 2.169 178.953 176.870 -0.144 0.000 1.095 552 L CA 1.570 56.314 54.840 -0.159 0.000 0.770 552 L CB -1.185 40.808 42.059 -0.109 0.000 0.914 552 L HN 0.613 nan 8.230 nan 0.000 0.439 553 T N 0.004 114.495 114.554 -0.105 0.000 2.737 553 T HA -0.177 4.209 4.350 0.061 0.000 0.265 553 T C 1.893 176.525 174.700 -0.114 0.000 1.038 553 T CA 1.418 63.502 62.100 -0.026 0.000 1.144 553 T CB -0.290 68.661 68.868 0.139 0.000 0.866 553 T HN 0.206 nan 8.240 nan 0.000 0.434 554 L N 1.744 122.727 121.223 -0.400 0.000 1.989 554 L HA -0.008 4.368 4.340 0.061 0.000 0.211 554 L C 2.602 179.234 176.870 -0.397 0.000 1.071 554 L CA 2.230 56.665 54.840 -0.675 0.000 0.749 554 L CB -1.132 40.061 42.059 -1.443 0.000 0.890 554 L HN 0.207 nan 8.230 nan 0.000 0.431 555 A N -1.123 121.481 122.820 -0.360 0.000 1.908 555 A HA -0.278 4.078 4.320 0.061 0.000 0.218 555 A C 2.273 179.753 177.584 -0.174 0.000 1.181 555 A CA 1.982 53.858 52.037 -0.267 0.000 0.627 555 A CB -0.726 18.137 19.000 -0.229 0.000 0.818 555 A HN 0.700 nan 8.150 nan 0.000 0.445 556 Q N -0.980 118.740 119.800 -0.132 0.000 2.124 556 Q HA -0.088 4.288 4.340 0.061 0.000 0.202 556 Q C 2.383 178.352 176.000 -0.052 0.000 0.977 556 Q CA 1.328 57.085 55.803 -0.077 0.000 0.850 556 Q CB -0.324 28.384 28.738 -0.051 0.000 0.901 556 Q HN 0.705 nan 8.270 nan 0.000 0.429 557 A N -0.185 122.608 122.820 -0.044 0.000 1.930 557 A HA -0.107 4.250 4.320 0.061 0.000 0.217 557 A C 2.218 179.801 177.584 -0.002 0.000 1.175 557 A CA 1.086 53.127 52.037 0.007 0.000 0.627 557 A CB -0.437 18.602 19.000 0.066 0.000 0.815 557 A HN 0.214 nan 8.150 nan 0.000 0.443 558 V N -0.082 119.799 119.914 -0.056 0.000 2.307 558 V HA -0.212 3.945 4.120 0.061 0.000 0.245 558 V C 3.071 179.130 176.094 -0.059 0.000 1.045 558 V CA 1.792 64.056 62.300 -0.059 0.000 1.024 558 V CB -1.332 30.396 31.823 -0.158 0.000 0.651 558 V HN 0.594 nan 8.190 nan 0.000 0.449 559 A N 0.028 122.801 122.820 -0.078 0.000 1.892 559 A HA -0.352 4.004 4.320 0.061 0.000 0.218 559 A C 2.322 179.886 177.584 -0.033 0.000 1.188 559 A CA 2.617 54.618 52.037 -0.061 0.000 0.631 559 A CB -0.613 18.348 19.000 -0.064 0.000 0.822 559 A HN 0.551 nan 8.150 nan 0.000 0.447 560 K N -0.534 119.853 120.400 -0.020 0.000 2.020 560 K HA -0.215 4.142 4.320 0.061 0.000 0.212 560 K C 1.626 178.229 176.600 0.006 0.000 1.050 560 K CA 1.770 58.056 56.287 -0.002 0.000 0.929 560 K CB -0.238 32.268 32.500 0.010 0.000 0.714 560 K HN 0.451 nan 8.250 nan 0.000 0.443 561 N N 0.551 119.259 118.700 0.012 0.000 2.443 561 N HA -0.119 4.658 4.740 0.061 0.000 0.184 561 N C 1.239 176.752 175.510 0.005 0.000 1.037 561 N CA 0.912 53.976 53.050 0.023 0.000 0.896 561 N CB 0.069 38.583 38.487 0.045 0.000 0.959 561 N HN 0.292 nan 8.380 nan 0.000 0.442 562 L N -1.108 120.106 121.223 -0.015 0.000 2.640 562 L HA 0.255 4.631 4.340 0.061 0.000 0.230 562 L C 0.957 177.814 176.870 -0.022 0.000 1.123 562 L CA -0.061 54.760 54.840 -0.031 0.000 0.900 562 L CB 0.077 42.102 42.059 -0.056 0.000 1.146 562 L HN 0.064 nan 8.230 nan 0.000 0.484 563 G N 1.594 110.386 108.800 -0.013 0.000 2.221 563 G HA2 -0.285 3.711 3.960 0.061 0.000 0.265 563 G HA3 -0.285 3.711 3.960 0.061 0.000 0.265 563 G C 0.031 174.924 174.900 -0.012 0.000 1.041 563 G CA 0.110 45.205 45.100 -0.008 0.000 0.807 563 G HN 0.310 nan 8.290 nan 0.000 0.502 564 I N -0.097 120.461 120.570 -0.020 0.000 2.437 564 I HA 0.497 4.704 4.170 0.061 0.000 0.298 564 I C 0.329 176.433 176.117 -0.023 0.000 0.984 564 I CA -0.802 60.484 61.300 -0.023 0.000 1.214 564 I CB 1.823 39.803 38.000 -0.034 0.000 1.365 564 I HN 0.290 nan 8.210 nan 0.000 0.469 565 E N 6.869 127.058 120.200 -0.020 0.000 2.176 565 E HA 0.419 4.806 4.350 0.061 0.000 0.267 565 E C -1.232 175.353 176.600 -0.026 0.000 0.893 565 E CA -0.692 55.695 56.400 -0.021 0.000 0.761 565 E CB 1.238 30.930 29.700 -0.014 0.000 1.133 565 E HN 0.495 nan 8.360 nan 0.000 0.409 566 L N 3.893 125.095 121.223 -0.035 0.000 2.485 566 L HA 0.122 4.499 4.340 0.061 0.000 0.275 566 L C 1.014 177.864 176.870 -0.034 0.000 1.207 566 L CA -0.078 54.737 54.840 -0.041 0.000 0.855 566 L CB 0.348 42.373 42.059 -0.056 0.000 1.114 566 L HN 0.746 nan 8.230 nan 0.000 0.485 567 T N -2.152 112.382 114.554 -0.033 0.000 2.828 567 T HA 0.064 4.451 4.350 0.061 0.000 0.290 567 T C 0.755 175.435 174.700 -0.034 0.000 1.019 567 T CA -0.763 61.321 62.100 -0.027 0.000 1.031 567 T CB 1.163 70.018 68.868 -0.021 0.000 1.001 567 T HN 0.506 nan 8.240 nan 0.000 0.531 568 D N 0.573 120.957 120.400 -0.028 0.000 2.123 568 D HA -0.086 4.591 4.640 0.061 0.000 0.196 568 D C 1.690 177.967 176.300 -0.039 0.000 0.992 568 D CA 1.301 55.283 54.000 -0.030 0.000 0.833 568 D CB -0.321 40.465 40.800 -0.022 0.000 0.954 568 D HN 0.630 nan 8.370 nan 0.000 0.455 569 D N 0.147 120.525 120.400 -0.036 0.000 2.123 569 D HA -0.136 4.540 4.640 0.061 0.000 0.196 569 D C 2.093 178.350 176.300 -0.073 0.000 0.992 569 D CA 0.808 54.782 54.000 -0.044 0.000 0.833 569 D CB -0.233 40.550 40.800 -0.029 0.000 0.954 569 D HN 0.334 nan 8.370 nan 0.000 0.455 570 Q N -0.297 119.458 119.800 -0.074 0.000 2.084 570 Q HA -0.067 4.310 4.340 0.061 0.000 0.202 570 Q C 2.400 178.325 176.000 -0.126 0.000 0.978 570 Q CA 0.688 56.424 55.803 -0.111 0.000 0.844 570 Q CB -0.102 28.586 28.738 -0.083 0.000 0.898 570 Q HN 0.306 nan 8.270 nan 0.000 0.426 571 L N 0.861 122.030 121.223 -0.089 0.000 2.265 571 L HA -0.154 4.223 4.340 0.061 0.000 0.215 571 L C 1.284 178.105 176.870 -0.083 0.000 1.117 571 L CA 0.541 55.332 54.840 -0.081 0.000 0.782 571 L CB -0.166 41.859 42.059 -0.056 0.000 0.914 571 L HN 0.205 nan 8.230 nan 0.000 0.441 572 N N -0.117 118.533 118.700 -0.083 0.000 2.322 572 N HA 0.187 4.963 4.740 0.061 0.000 0.194 572 N C 0.375 175.825 175.510 -0.101 0.000 1.126 572 N CA 0.153 53.157 53.050 -0.076 0.000 0.845 572 N CB 0.292 38.746 38.487 -0.054 0.000 0.976 572 N HN 0.260 nan 8.380 nan 0.000 0.475 573 I N 1.834 122.309 120.570 -0.159 0.000 2.598 573 I HA -0.051 4.155 4.170 0.061 0.000 0.284 573 I C 0.357 176.376 176.117 -0.163 0.000 1.140 573 I CA 0.282 61.450 61.300 -0.220 0.000 1.420 573 I CB 0.218 37.953 38.000 -0.443 0.000 1.387 573 I HN -0.146 nan 8.210 nan 0.000 0.553 574 T N 8.046 122.534 114.554 -0.110 0.000 2.870 574 T HA 0.172 4.559 4.350 0.061 0.000 0.300 574 T C -2.007 172.655 174.700 -0.064 0.000 0.989 574 T CA -0.922 61.141 62.100 -0.062 0.000 1.139 574 T CB 0.105 68.959 68.868 -0.024 0.000 0.920 574 T HN 0.396 nan 8.240 nan 0.000 0.537 575 P HA 0.231 nan 4.420 nan 0.000 0.269 575 P C -2.288 175.028 177.300 0.026 0.000 1.215 575 P CA -1.469 61.616 63.100 -0.024 0.000 0.780 575 P CB -0.451 31.245 31.700 -0.006 0.000 0.898 576 P HA 0.237 nan 4.420 nan 0.000 0.272 576 P C -2.510 174.847 177.300 0.094 0.000 1.240 576 P CA -1.231 61.940 63.100 0.118 0.000 0.791 576 P CB -0.964 30.856 31.700 0.200 0.000 0.978 577 P HA 0.121 nan 4.420 nan 0.000 0.272 577 P C -0.234 177.119 177.300 0.087 0.000 1.230 577 P CA 0.131 63.280 63.100 0.082 0.000 0.788 577 P CB 0.116 31.867 31.700 0.085 0.000 0.949 578 D N -0.072 120.371 120.400 0.073 0.000 2.390 578 D HA 0.015 4.692 4.640 0.061 0.000 0.236 578 D C -0.095 176.257 176.300 0.087 0.000 1.189 578 D CA 0.173 54.214 54.000 0.067 0.000 0.887 578 D CB 0.310 41.144 40.800 0.056 0.000 1.198 578 D HN -0.035 nan 8.370 nan 0.000 0.444 579 V N 2.873 122.830 119.914 0.071 0.000 2.356 579 V HA 0.018 4.175 4.120 0.061 0.000 0.258 579 V C 0.359 176.545 176.094 0.153 0.000 1.065 579 V CA -0.343 62.026 62.300 0.115 0.000 0.935 579 V CB -0.617 31.191 31.823 -0.025 0.000 1.061 579 V HN 0.599 nan 8.190 nan 0.000 0.484 580 N N 4.428 123.237 118.700 0.181 0.000 2.714 580 N HA -0.226 4.551 4.740 0.061 0.000 0.252 580 N C 1.136 176.708 175.510 0.103 0.000 1.014 580 N CA 1.045 54.185 53.050 0.150 0.000 0.735 580 N CB -0.909 37.705 38.487 0.211 0.000 0.924 580 N HN 1.275 nan 8.380 nan 0.000 0.540 581 G N -2.057 106.791 108.800 0.080 0.000 2.179 581 G HA2 -0.319 3.678 3.960 0.061 0.000 0.260 581 G HA3 -0.319 3.678 3.960 0.061 0.000 0.260 581 G C 0.051 174.981 174.900 0.050 0.000 0.977 581 G CA 0.336 45.470 45.100 0.057 0.000 0.641 581 G HN 0.407 nan 8.290 nan 0.000 0.533 582 L N 0.229 121.485 121.223 0.055 0.000 2.292 582 L HA 0.438 4.815 4.340 0.061 0.000 0.284 582 L C 1.474 178.359 176.870 0.025 0.000 1.065 582 L CA -0.814 54.049 54.840 0.038 0.000 0.806 582 L CB 1.214 43.295 42.059 0.037 0.000 1.175 582 L HN -0.082 nan 8.230 nan 0.000 0.431 583 K N 2.569 122.978 120.400 0.015 0.000 2.352 583 K HA 0.110 4.467 4.320 0.061 0.000 0.194 583 K C -0.136 176.457 176.600 -0.011 0.000 1.038 583 K CA 0.383 56.675 56.287 0.008 0.000 1.023 583 K CB 0.487 32.989 32.500 0.004 0.000 0.840 583 K HN 0.642 nan 8.250 nan 0.000 0.519 584 K N -0.335 120.053 120.400 -0.019 0.000 2.703 584 K HA 0.223 4.579 4.320 0.061 0.000 0.285 584 K C -2.116 174.465 176.600 -0.033 0.000 1.014 584 K CA -0.821 55.438 56.287 -0.046 0.000 0.858 584 K CB 1.296 33.750 32.500 -0.076 0.000 1.467 584 K HN -0.280 nan 8.250 nan 0.000 0.383 585 D N 2.084 122.457 120.400 -0.044 0.000 2.476 585 D HA 0.318 4.994 4.640 0.061 0.000 0.251 585 D C -2.121 174.157 176.300 -0.036 0.000 1.291 585 D CA -2.110 51.881 54.000 -0.015 0.000 0.939 585 D CB 2.164 42.976 40.800 0.019 0.000 1.221 585 D HN 0.280 nan 8.370 nan 0.000 0.567 586 P HA -0.073 nan 4.420 nan 0.000 0.226 586 P C 1.237 178.520 177.300 -0.028 0.000 1.153 586 P CA 0.640 63.704 63.100 -0.061 0.000 0.777 586 P CB 0.169 31.846 31.700 -0.039 0.000 0.794 587 S N -1.069 114.649 115.700 0.031 0.000 2.547 587 S HA -0.033 4.474 4.470 0.061 0.000 0.235 587 S C 1.603 176.279 174.600 0.126 0.000 0.980 587 S CA 0.641 58.896 58.200 0.092 0.000 0.941 587 S CB -1.338 61.943 63.200 0.135 0.000 0.763 587 S HN 0.143 nan 8.310 nan 0.000 0.532 588 L N 1.243 122.493 121.223 0.046 0.000 2.509 588 L HA 0.229 4.606 4.340 0.061 0.000 0.222 588 L C 1.363 178.109 176.870 -0.208 0.000 1.123 588 L CA 0.095 54.947 54.840 0.020 0.000 0.856 588 L CB -0.170 41.870 42.059 -0.032 0.000 0.985 588 L HN 0.353 nan 8.230 nan 0.000 0.456 589 S N -0.469 115.103 115.700 -0.213 0.000 2.578 589 S HA 0.330 4.837 4.470 0.061 0.000 0.283 589 S C 1.003 175.470 174.600 -0.221 0.000 1.195 589 S CA -0.660 57.353 58.200 -0.312 0.000 1.050 589 S CB 1.527 64.540 63.200 -0.313 0.000 1.012 589 S HN 0.166 nan 8.310 nan 0.000 0.511 590 L N 3.069 124.078 121.223 -0.357 0.000 2.156 590 L HA 0.026 4.402 4.340 0.061 0.000 0.208 590 L C 0.803 177.366 176.870 -0.511 0.000 1.095 590 L CA 1.104 55.628 54.840 -0.527 0.000 0.770 590 L CB -0.263 41.157 42.059 -1.065 0.000 0.914 590 L HN 0.771 nan 8.230 nan 0.000 0.439 591 Y N -2.440 117.839 120.300 -0.036 0.000 2.432 591 Y HA 0.335 4.922 4.550 0.061 0.000 0.252 591 Y C 2.111 178.015 175.900 0.006 0.000 1.097 591 Y CA -0.130 57.994 58.100 0.040 0.000 1.250 591 Y CB -0.413 38.087 38.460 0.067 0.000 1.245 591 Y HN -0.049 nan 8.280 nan 0.000 0.522 592 A N 0.646 123.482 122.820 0.027 0.000 1.908 592 A HA -0.064 4.293 4.320 0.061 0.000 0.218 592 A C 0.938 178.551 177.584 0.048 0.000 1.181 592 A CA 1.163 53.194 52.037 -0.010 0.000 0.627 592 A CB -0.504 18.438 19.000 -0.097 0.000 0.818 592 A HN 0.160 nan 8.150 nan 0.000 0.445 593 I N 0.811 121.415 120.570 0.056 0.000 2.307 593 I HA 0.273 4.479 4.170 0.061 0.000 0.289 593 I C -2.630 173.554 176.117 0.111 0.000 1.021 593 I CA -2.467 58.876 61.300 0.072 0.000 1.224 593 I CB 0.530 38.562 38.000 0.053 0.000 1.376 593 I HN -0.005 nan 8.210 nan 0.000 0.470 594 P HA 0.053 nan 4.420 nan 0.000 0.264 594 P C -0.038 177.333 177.300 0.119 0.000 1.183 594 P CA 0.375 63.563 63.100 0.148 0.000 0.763 594 P CB 0.530 32.305 31.700 0.124 0.000 0.807 595 D N 0.748 121.226 120.400 0.131 0.000 2.672 595 D HA 0.072 4.749 4.640 0.061 0.000 0.287 595 D C 0.543 176.901 176.300 0.097 0.000 1.559 595 D CA -0.399 53.661 54.000 0.100 0.000 0.796 595 D CB -0.652 40.203 40.800 0.093 0.000 1.181 595 D HN 0.364 nan 8.370 nan 0.000 0.458 596 G N 0.633 109.503 108.800 0.116 0.000 2.238 596 G HA2 0.218 4.214 3.960 0.061 0.000 0.234 596 G HA3 0.218 4.214 3.960 0.061 0.000 0.234 596 G C -0.416 174.522 174.900 0.063 0.000 1.181 596 G CA 0.413 45.573 45.100 0.101 0.000 0.871 596 G HN 0.263 nan 8.290 nan 0.000 0.490 597 D N 1.095 121.525 120.400 0.050 0.000 2.763 597 D HA 0.178 4.855 4.640 0.061 0.000 0.235 597 D C 0.934 177.245 176.300 0.019 0.000 1.334 597 D CA -0.468 53.547 54.000 0.025 0.000 0.950 597 D CB 1.628 42.436 40.800 0.013 0.000 1.433 597 D HN 0.352 nan 8.370 nan 0.000 0.580 598 V N 1.857 121.776 119.914 0.008 0.000 3.541 598 V HA 0.245 4.401 4.120 0.061 0.000 0.267 598 V C 1.008 177.084 176.094 -0.030 0.000 1.213 598 V CA 0.097 62.397 62.300 0.000 0.000 1.149 598 V CB -0.644 31.175 31.823 -0.007 0.000 0.822 598 V HN 0.367 nan 8.190 nan 0.000 0.462 599 K N 1.295 121.670 120.400 -0.042 0.000 2.447 599 K HA 0.396 4.753 4.320 0.061 0.000 0.281 599 K C 1.249 177.805 176.600 -0.072 0.000 1.031 599 K CA 1.050 57.289 56.287 -0.079 0.000 1.019 599 K CB 0.145 32.604 32.500 -0.068 0.000 0.918 599 K HN 0.689 nan 8.250 nan 0.000 0.476 600 G N 3.173 111.895 108.800 -0.131 0.000 2.194 600 G HA2 -0.205 3.791 3.960 0.061 0.000 0.236 600 G HA3 -0.205 3.791 3.960 0.061 0.000 0.236 600 G C 0.070 175.005 174.900 0.058 0.000 0.987 600 G CA -0.302 44.786 45.100 -0.020 0.000 0.635 600 G HN 0.555 nan 8.290 nan 0.000 0.520 601 R N -0.136 120.369 120.500 0.009 0.000 2.726 601 R HA 0.660 5.036 4.340 0.061 0.000 0.272 601 R C 0.116 176.467 176.300 0.085 0.000 1.097 601 R CA -0.046 56.093 56.100 0.065 0.000 1.198 601 R CB 0.839 31.172 30.300 0.055 0.000 1.114 601 R HN 0.670 nan 8.270 nan 0.000 0.550 602 V N 0.466 120.453 119.914 0.122 0.000 2.841 602 V HA 0.459 4.616 4.120 0.061 0.000 0.310 602 V C -1.002 175.159 176.094 0.112 0.000 1.090 602 V CA -0.756 61.631 62.300 0.145 0.000 0.930 602 V CB 2.491 34.428 31.823 0.189 0.000 1.014 602 V HN 0.356 nan 8.190 nan 0.000 0.425 603 V N 5.301 125.276 119.914 0.102 0.000 2.628 603 V HA 0.828 4.985 4.120 0.061 0.000 0.306 603 V C 0.439 176.594 176.094 0.101 0.000 1.045 603 V CA -0.163 62.189 62.300 0.086 0.000 0.905 603 V CB 1.838 33.696 31.823 0.059 0.000 0.997 603 V HN 1.177 nan 8.190 nan 0.000 0.436 604 A N 5.521 128.409 122.820 0.112 0.000 2.309 604 A HA 0.795 5.151 4.320 0.061 0.000 0.298 604 A C -0.542 177.059 177.584 0.028 0.000 1.165 604 A CA -0.297 51.792 52.037 0.087 0.000 0.821 604 A CB 0.158 19.240 19.000 0.137 0.000 1.102 604 A HN 0.747 nan 8.150 nan 0.000 0.500 605 I N 3.431 124.011 120.570 0.016 0.000 2.382 605 I HA 0.213 4.420 4.170 0.061 0.000 0.285 605 I C -0.707 175.418 176.117 0.014 0.000 1.007 605 I CA -0.187 61.122 61.300 0.016 0.000 1.142 605 I CB 1.367 39.389 38.000 0.036 0.000 1.289 605 I HN 0.492 nan 8.210 nan 0.000 0.453 606 L N 7.113 128.334 121.223 -0.005 0.000 2.283 606 L HA 0.428 4.805 4.340 0.061 0.000 0.287 606 L C 0.025 176.996 176.870 0.168 0.000 1.073 606 L CA -0.366 54.531 54.840 0.096 0.000 0.822 606 L CB 0.357 42.351 42.059 -0.108 0.000 1.186 606 L HN 0.434 nan 8.230 nan 0.000 0.436 607 L N 3.514 124.882 121.223 0.241 0.000 2.456 607 L HA 0.316 4.693 4.340 0.061 0.000 0.257 607 L C 0.101 177.144 176.870 0.289 0.000 1.162 607 L CA -0.391 54.541 54.840 0.153 0.000 0.808 607 L CB 1.115 43.174 42.059 0.001 0.000 1.136 607 L HN 0.727 nan 8.230 nan 0.000 0.466 608 N N -2.131 116.648 118.700 0.131 0.000 2.469 608 N HA 0.220 4.997 4.740 0.061 0.000 0.286 608 N C -0.322 175.156 175.510 -0.053 0.000 1.275 608 N CA -0.798 52.370 53.050 0.197 0.000 0.790 608 N CB 0.768 39.367 38.487 0.187 0.000 1.446 608 N HN 0.524 nan 8.380 nan 0.000 0.501 609 D N -1.870 118.536 120.400 0.009 0.000 2.378 609 D HA -0.069 4.608 4.640 0.061 0.000 0.227 609 D C -0.186 176.079 176.300 -0.058 0.000 1.012 609 D CA 0.777 54.722 54.000 -0.091 0.000 0.905 609 D CB -0.045 40.773 40.800 0.031 0.000 0.895 609 D HN 0.701 nan 8.370 nan 0.000 0.532 610 E N 0.219 120.402 120.200 -0.029 0.000 4.139 610 E HA 0.214 4.601 4.350 0.061 0.000 0.227 610 E C -1.227 175.361 176.600 -0.020 0.000 1.187 610 E CA -0.476 55.910 56.400 -0.024 0.000 1.324 610 E CB 0.441 30.138 29.700 -0.006 0.000 1.207 610 E HN -0.085 nan 8.360 nan 0.000 0.422 611 V N 1.904 121.798 119.914 -0.034 0.000 2.763 611 V HA 0.042 4.199 4.120 0.061 0.000 0.306 611 V C 0.866 176.946 176.094 -0.023 0.000 1.059 611 V CA 0.298 62.584 62.300 -0.023 0.000 1.138 611 V CB 0.735 32.538 31.823 -0.033 0.000 0.940 611 V HN 0.456 nan 8.190 nan 0.000 0.489 612 R N 3.365 123.852 120.500 -0.021 0.000 2.345 612 R HA 0.085 4.462 4.340 0.061 0.000 0.331 612 R C 1.543 177.823 176.300 -0.032 0.000 1.067 612 R CA 0.498 56.580 56.100 -0.029 0.000 0.962 612 R CB 0.402 30.680 30.300 -0.036 0.000 0.987 612 R HN 0.976 nan 8.270 nan 0.000 0.451 613 S N 3.397 119.080 115.700 -0.029 0.000 2.423 613 S HA -0.182 4.325 4.470 0.061 0.000 0.231 613 S C 1.966 176.550 174.600 -0.028 0.000 1.014 613 S CA 0.762 58.946 58.200 -0.027 0.000 0.965 613 S CB -0.074 63.112 63.200 -0.024 0.000 0.785 613 S HN 0.697 nan 8.310 nan 0.000 0.495 614 A N 2.451 125.252 122.820 -0.032 0.000 1.908 614 A HA -0.145 4.212 4.320 0.061 0.000 0.218 614 A C 1.990 179.545 177.584 -0.049 0.000 1.181 614 A CA 1.795 53.810 52.037 -0.036 0.000 0.627 614 A CB -0.974 18.003 19.000 -0.039 0.000 0.818 614 A HN 0.492 nan 8.150 nan 0.000 0.445 615 D N -0.507 119.854 120.400 -0.064 0.000 2.104 615 D HA -0.137 4.539 4.640 0.061 0.000 0.194 615 D C 1.834 178.104 176.300 -0.050 0.000 0.994 615 D CA 1.292 55.239 54.000 -0.089 0.000 0.830 615 D CB -0.442 40.292 40.800 -0.109 0.000 0.959 615 D HN 0.315 nan 8.370 nan 0.000 0.452 616 L N 0.290 121.496 121.223 -0.029 0.000 2.083 616 L HA -0.117 4.259 4.340 0.061 0.000 0.209 616 L C 2.158 179.026 176.870 -0.002 0.000 1.083 616 L CA 1.038 55.873 54.840 -0.009 0.000 0.752 616 L CB -0.501 41.552 42.059 -0.010 0.000 0.899 616 L HN -0.012 nan 8.230 nan 0.000 0.433 617 L N -0.464 120.754 121.223 -0.009 0.000 1.971 617 L HA -0.219 4.158 4.340 0.061 0.000 0.215 617 L C 2.584 179.455 176.870 0.002 0.000 1.072 617 L CA 2.267 57.104 54.840 -0.005 0.000 0.758 617 L CB -1.112 40.941 42.059 -0.010 0.000 0.889 617 L HN 0.318 nan 8.230 nan 0.000 0.433 618 A N -0.950 121.868 122.820 -0.003 0.000 1.933 618 A HA -0.173 4.184 4.320 0.061 0.000 0.218 618 A C 2.272 179.876 177.584 0.033 0.000 1.175 618 A CA 1.902 53.944 52.037 0.009 0.000 0.628 618 A CB -0.781 18.216 19.000 -0.005 0.000 0.814 618 A HN 0.468 nan 8.150 nan 0.000 0.444 619 I N -0.302 120.290 120.570 0.038 0.000 2.133 619 I HA -0.251 3.956 4.170 0.061 0.000 0.238 619 I C 2.339 178.486 176.117 0.050 0.000 1.074 619 I CA 1.223 62.565 61.300 0.071 0.000 1.342 619 I CB -0.371 37.675 38.000 0.077 0.000 1.053 619 I HN 0.275 nan 8.210 nan 0.000 0.404 620 L N 0.625 121.868 121.223 0.034 0.000 2.131 620 L HA -0.228 4.149 4.340 0.061 0.000 0.210 620 L C 2.643 179.526 176.870 0.023 0.000 1.092 620 L CA 1.269 56.126 54.840 0.029 0.000 0.759 620 L CB -0.710 41.363 42.059 0.024 0.000 0.903 620 L HN 0.312 nan 8.230 nan 0.000 0.435 621 K N 0.914 121.326 120.400 0.020 0.000 2.062 621 K HA -0.124 4.233 4.320 0.061 0.000 0.205 621 K C 2.127 178.736 176.600 0.016 0.000 1.051 621 K CA 1.298 57.594 56.287 0.015 0.000 0.941 621 K CB 0.004 32.511 32.500 0.013 0.000 0.719 621 K HN 0.216 nan 8.250 nan 0.000 0.440 622 A N 1.829 124.664 122.820 0.024 0.000 1.933 622 A HA -0.098 4.259 4.320 0.061 0.000 0.218 622 A C 2.252 179.842 177.584 0.010 0.000 1.175 622 A CA 1.157 53.207 52.037 0.022 0.000 0.628 622 A CB -0.509 18.515 19.000 0.040 0.000 0.814 622 A HN 0.320 nan 8.150 nan 0.000 0.444 623 L N -0.796 120.433 121.223 0.011 0.000 2.056 623 L HA -0.162 4.215 4.340 0.061 0.000 0.207 623 L C 2.638 179.490 176.870 -0.029 0.000 1.078 623 L CA 1.804 56.639 54.840 -0.008 0.000 0.749 623 L CB -0.449 41.613 42.059 0.005 0.000 0.901 623 L HN 0.460 nan 8.230 nan 0.000 0.433 624 K N 0.676 121.068 120.400 -0.013 0.000 2.097 624 K HA -0.183 4.174 4.320 0.061 0.000 0.206 624 K C 2.105 178.691 176.600 -0.025 0.000 1.049 624 K CA 1.311 57.587 56.287 -0.018 0.000 0.933 624 K CB -0.059 32.443 32.500 0.002 0.000 0.717 624 K HN 0.257 nan 8.250 nan 0.000 0.442 625 A N 1.240 124.051 122.820 -0.015 0.000 2.024 625 A HA -0.125 4.231 4.320 0.061 0.000 0.220 625 A C 1.602 179.172 177.584 -0.024 0.000 1.164 625 A CA 1.399 53.427 52.037 -0.014 0.000 0.643 625 A CB -0.112 18.886 19.000 -0.005 0.000 0.806 625 A HN 0.197 nan 8.150 nan 0.000 0.451 626 K N -1.561 118.818 120.400 -0.035 0.000 2.358 626 K HA 0.213 4.570 4.320 0.061 0.000 0.200 626 K C 0.847 177.399 176.600 -0.079 0.000 1.030 626 K CA 0.612 56.873 56.287 -0.044 0.000 1.097 626 K CB 0.229 32.709 32.500 -0.035 0.000 0.862 626 K HN 0.700 nan 8.250 nan 0.000 0.534 627 G N 1.910 110.647 108.800 -0.104 0.000 2.246 627 G HA2 -0.223 3.774 3.960 0.061 0.000 0.273 627 G HA3 -0.223 3.774 3.960 0.061 0.000 0.273 627 G C -0.029 174.678 174.900 -0.322 0.000 1.055 627 G CA 0.120 45.111 45.100 -0.182 0.000 0.851 627 G HN 0.100 nan 8.290 nan 0.000 0.500 628 V N 2.402 122.171 119.914 -0.242 0.000 2.407 628 V HA 0.436 4.592 4.120 0.061 0.000 0.278 628 V C 0.760 176.706 176.094 -0.247 0.000 1.037 628 V CA -1.179 60.974 62.300 -0.246 0.000 0.900 628 V CB 1.194 32.960 31.823 -0.095 0.000 0.983 628 V HN 0.393 nan 8.190 nan 0.000 0.459 629 H N 2.580 121.663 119.070 0.022 0.000 2.546 629 H HA 0.734 5.327 4.556 0.061 0.000 0.365 629 H C 0.164 175.514 175.328 0.036 0.000 1.220 629 H CA -0.110 55.954 56.048 0.026 0.000 1.386 629 H CB 1.640 31.420 29.762 0.029 0.000 1.510 629 H HN 0.764 nan 8.280 nan 0.000 0.591 630 A N 1.402 124.328 122.820 0.176 0.000 2.414 630 A HA 0.532 4.888 4.320 0.061 0.000 0.306 630 A C -0.630 177.013 177.584 0.097 0.000 1.054 630 A CA -0.922 51.181 52.037 0.110 0.000 0.724 630 A CB 1.372 20.420 19.000 0.079 0.000 1.267 630 A HN 0.747 nan 8.150 nan 0.000 0.418 631 K N 2.412 122.863 120.400 0.085 0.000 2.376 631 K HA 0.701 5.058 4.320 0.061 0.000 0.257 631 K C -1.602 175.027 176.600 0.048 0.000 0.939 631 K CA -0.516 55.812 56.287 0.068 0.000 0.809 631 K CB 1.418 33.969 32.500 0.086 0.000 1.121 631 K HN 0.520 nan 8.250 nan 0.000 0.425 632 L N 5.187 126.427 121.223 0.029 0.000 2.265 632 L HA 0.418 4.795 4.340 0.061 0.000 0.288 632 L C -0.490 176.380 176.870 -0.001 0.000 1.058 632 L CA -0.855 53.994 54.840 0.014 0.000 0.809 632 L CB 0.447 42.506 42.059 0.000 0.000 1.179 632 L HN 0.539 nan 8.230 nan 0.000 0.429 633 L N 3.589 124.811 121.223 -0.002 0.000 2.342 633 L HA 0.616 4.992 4.340 0.061 0.000 0.271 633 L C -0.908 175.862 176.870 -0.166 0.000 1.008 633 L CA -0.787 54.003 54.840 -0.084 0.000 0.818 633 L CB 2.044 44.073 42.059 -0.051 0.000 1.296 633 L HN 0.413 nan 8.230 nan 0.000 0.427 634 Y N -0.404 119.457 120.300 -0.732 0.000 2.840 634 Y HA 0.206 4.793 4.550 0.061 0.000 0.324 634 Y C 0.718 175.878 175.900 -1.234 0.000 1.378 634 Y CA -0.697 56.873 58.100 -0.883 0.000 1.077 634 Y CB 1.657 39.925 38.460 -0.320 0.000 1.361 634 Y HN 0.549 nan 8.280 nan 0.000 0.459 635 S N 0.656 115.502 115.700 -1.423 0.000 2.593 635 S HA 0.273 4.780 4.470 0.061 0.000 0.217 635 S C 0.021 174.363 174.600 -0.429 0.000 0.966 635 S CA 0.248 57.971 58.200 -0.794 0.000 0.914 635 S CB -0.243 62.628 63.200 -0.548 0.000 0.776 635 S HN 0.613 nan 8.310 nan 0.000 0.523 636 R N -1.283 119.041 120.500 -0.293 0.000 2.766 636 R HA 0.641 5.017 4.340 0.061 0.000 0.270 636 R C -0.860 175.436 176.300 -0.006 0.000 1.035 636 R CA -1.115 54.934 56.100 -0.085 0.000 0.911 636 R CB 0.483 30.776 30.300 -0.011 0.000 1.243 636 R HN -0.068 nan 8.270 nan 0.000 0.460 637 M N -0.082 119.518 119.600 -0.000 0.000 2.336 637 M HA 0.554 5.071 4.480 0.061 0.000 0.256 637 M C 0.952 177.267 176.300 0.025 0.000 1.176 637 M CA 0.752 56.056 55.300 0.006 0.000 0.948 637 M CB 0.602 33.199 32.600 -0.006 0.000 1.393 637 M HN 1.052 nan 8.290 nan 0.000 0.528 638 G N 0.780 109.585 108.800 0.008 0.000 2.709 638 G HA2 -0.122 3.875 3.960 0.061 0.000 0.228 638 G HA3 -0.122 3.875 3.960 0.061 0.000 0.228 638 G C -0.932 173.959 174.900 -0.015 0.000 1.215 638 G CA -0.500 44.601 45.100 0.002 0.000 1.003 638 G HN 0.617 nan 8.290 nan 0.000 0.584 639 E N -0.921 119.262 120.200 -0.028 0.000 2.367 639 E HA 0.604 4.990 4.350 0.061 0.000 0.273 639 E C -0.397 176.136 176.600 -0.111 0.000 0.903 639 E CA -0.536 55.828 56.400 -0.061 0.000 0.764 639 E CB 2.981 32.654 29.700 -0.045 0.000 1.252 639 E HN 1.200 nan 8.360 nan 0.000 0.446 640 V N -1.638 118.174 119.914 -0.169 0.000 2.960 640 V HA 0.721 4.877 4.120 0.061 0.000 0.315 640 V C -0.420 175.594 176.094 -0.133 0.000 1.087 640 V CA -0.681 61.491 62.300 -0.213 0.000 0.982 640 V CB 1.930 33.504 31.823 -0.415 0.000 1.039 640 V HN 0.628 nan 8.190 nan 0.000 0.437 641 T N 2.571 117.061 114.554 -0.107 0.000 2.771 641 T HA 0.776 5.162 4.350 0.061 0.000 0.281 641 T C 0.313 174.972 174.700 -0.068 0.000 0.982 641 T CA 0.252 62.310 62.100 -0.071 0.000 0.978 641 T CB 1.341 70.180 68.868 -0.049 0.000 0.930 641 T HN 1.329 nan 8.240 nan 0.000 0.447 642 A N 2.323 125.109 122.820 -0.057 0.000 2.280 642 A HA 0.391 4.747 4.320 0.061 0.000 0.268 642 A C 1.576 179.139 177.584 -0.034 0.000 1.111 642 A CA -0.402 51.607 52.037 -0.047 0.000 0.814 642 A CB 0.069 19.045 19.000 -0.041 0.000 1.093 642 A HN 0.897 nan 8.150 nan 0.000 0.498 643 D N -0.191 120.192 120.400 -0.029 0.000 2.221 643 D HA -0.193 4.484 4.640 0.061 0.000 0.204 643 D C 0.471 176.759 176.300 -0.021 0.000 0.982 643 D CA 1.633 55.619 54.000 -0.023 0.000 0.857 643 D CB -0.273 40.514 40.800 -0.021 0.000 0.934 643 D HN 0.578 nan 8.370 nan 0.000 0.475 644 D N -1.785 118.602 120.400 -0.021 0.000 2.424 644 D HA 0.243 4.920 4.640 0.061 0.000 0.220 644 D C 1.569 177.858 176.300 -0.018 0.000 1.150 644 D CA 0.166 54.156 54.000 -0.018 0.000 0.831 644 D CB -0.071 40.718 40.800 -0.017 0.000 0.981 644 D HN 0.335 nan 8.370 nan 0.000 0.500 645 G N 0.040 108.828 108.800 -0.021 0.000 2.176 645 G HA2 -0.281 3.716 3.960 0.061 0.000 0.253 645 G HA3 -0.281 3.716 3.960 0.061 0.000 0.253 645 G C 0.436 175.323 174.900 -0.023 0.000 0.979 645 G CA 0.300 45.387 45.100 -0.021 0.000 0.641 645 G HN 0.427 nan 8.290 nan 0.000 0.530 646 T N 1.500 116.040 114.554 -0.024 0.000 2.829 646 T HA 0.391 4.777 4.350 0.061 0.000 0.293 646 T C 0.734 175.414 174.700 -0.032 0.000 0.970 646 T CA 0.126 62.212 62.100 -0.025 0.000 1.168 646 T CB 1.766 70.620 68.868 -0.024 0.000 0.911 646 T HN 0.423 nan 8.240 nan 0.000 0.535 647 V N 6.445 126.342 119.914 -0.030 0.000 2.427 647 V HA 0.219 4.376 4.120 0.061 0.000 0.268 647 V C 0.365 176.435 176.094 -0.040 0.000 1.046 647 V CA -0.389 61.889 62.300 -0.037 0.000 0.970 647 V CB 0.322 32.128 31.823 -0.029 0.000 1.001 647 V HN 0.683 nan 8.190 nan 0.000 0.476 648 L N 8.579 129.768 121.223 -0.057 0.000 2.262 648 L HA 0.440 4.817 4.340 0.061 0.000 0.288 648 L C -2.307 174.528 176.870 -0.059 0.000 1.035 648 L CA -1.784 53.022 54.840 -0.057 0.000 0.820 648 L CB 1.580 43.595 42.059 -0.075 0.000 1.204 648 L HN 0.432 nan 8.230 nan 0.000 0.424 649 P HA 0.263 nan 4.420 nan 0.000 0.279 649 P C -0.518 176.763 177.300 -0.031 0.000 1.239 649 P CA -0.161 62.920 63.100 -0.031 0.000 0.789 649 P CB 0.981 32.671 31.700 -0.017 0.000 0.933 650 I N 1.901 122.453 120.570 -0.029 0.000 2.331 650 I HA 0.256 4.463 4.170 0.061 0.000 0.292 650 I C 1.483 177.592 176.117 -0.014 0.000 0.998 650 I CA -0.406 60.880 61.300 -0.025 0.000 1.267 650 I CB 1.477 39.468 38.000 -0.016 0.000 1.386 650 I HN 0.373 nan 8.210 nan 0.000 0.476 651 A N 5.270 128.085 122.820 -0.009 0.000 1.930 651 A HA 0.545 4.902 4.320 0.061 0.000 0.215 651 A C 0.980 178.564 177.584 0.001 0.000 1.176 651 A CA 1.270 53.309 52.037 0.002 0.000 0.632 651 A CB 0.020 19.030 19.000 0.017 0.000 0.819 651 A HN 0.823 nan 8.150 nan 0.000 0.445 652 A N -2.172 120.640 122.820 -0.014 0.000 2.566 652 A HA 0.565 4.922 4.320 0.061 0.000 0.290 652 A C -0.057 177.478 177.584 -0.081 0.000 1.071 652 A CA 0.087 52.114 52.037 -0.018 0.000 0.658 652 A CB -0.289 18.726 19.000 0.025 0.000 1.285 652 A HN 0.804 nan 8.150 nan 0.000 0.427 653 T N -1.615 112.885 114.554 -0.090 0.000 2.847 653 T HA 0.562 4.949 4.350 0.061 0.000 0.279 653 T C 0.911 175.559 174.700 -0.086 0.000 0.984 653 T CA 0.057 62.031 62.100 -0.210 0.000 0.988 653 T CB 0.099 68.883 68.868 -0.139 0.000 1.040 653 T HN 0.489 nan 8.240 nan 0.000 0.528 654 F N 0.512 120.486 119.950 0.040 0.000 2.161 654 F HA -0.006 4.557 4.527 0.061 0.000 0.300 654 F C 2.926 178.865 175.800 0.233 0.000 1.089 654 F CA 0.935 59.013 58.000 0.129 0.000 1.282 654 F CB -0.620 38.429 39.000 0.083 0.000 1.010 654 F HN 0.713 nan 8.300 nan 0.000 0.485 655 A N 0.284 123.280 122.820 0.293 0.000 1.968 655 A HA 0.041 4.398 4.320 0.061 0.000 0.217 655 A C 2.443 180.101 177.584 0.122 0.000 1.169 655 A CA 1.419 53.563 52.037 0.178 0.000 0.638 655 A CB -1.381 17.681 19.000 0.104 0.000 0.812 655 A HN 0.383 nan 8.150 nan 0.000 0.446 656 G N -0.938 107.921 108.800 0.098 0.000 2.448 656 G HA2 0.292 4.289 3.960 0.061 0.000 0.218 656 G HA3 0.292 4.289 3.960 0.061 0.000 0.218 656 G C 0.638 175.591 174.900 0.089 0.000 1.135 656 G CA 0.948 46.087 45.100 0.066 0.000 0.784 656 G HN 1.051 nan 8.290 nan 0.000 0.543 657 A N 0.956 123.865 122.820 0.148 0.000 3.030 657 A HA 0.701 5.057 4.320 0.061 0.000 0.335 657 A C -2.646 175.093 177.584 0.259 0.000 1.089 657 A CA -1.174 50.965 52.037 0.171 0.000 0.807 657 A CB 1.372 20.471 19.000 0.166 0.000 1.099 657 A HN 0.102 nan 8.150 nan 0.000 0.474 658 P HA 0.096 nan 4.420 nan 0.000 0.273 658 P C 1.369 178.488 177.300 -0.300 0.000 1.250 658 P CA 0.159 63.207 63.100 -0.087 0.000 0.793 658 P CB 0.743 32.383 31.700 -0.100 0.000 1.011 659 S N 0.265 115.436 115.700 -0.882 0.000 2.419 659 S HA -0.159 4.348 4.470 0.061 0.000 0.235 659 S C 1.831 176.279 174.600 -0.253 0.000 1.019 659 S CA 1.134 58.946 58.200 -0.648 0.000 0.982 659 S CB -1.466 61.260 63.200 -0.789 0.000 0.789 659 S HN 0.347 nan 8.310 nan 0.000 0.490 660 L N 1.777 122.860 121.223 -0.234 0.000 2.137 660 L HA -0.108 4.269 4.340 0.061 0.000 0.213 660 L C 2.824 179.510 176.870 -0.307 0.000 1.085 660 L CA 1.671 56.368 54.840 -0.238 0.000 0.760 660 L CB -1.488 40.409 42.059 -0.270 0.000 0.893 660 L HN 0.640 nan 8.230 nan 0.000 0.434 661 T N -3.393 111.053 114.554 -0.180 0.000 3.107 661 T HA 0.295 4.681 4.350 0.061 0.000 0.249 661 T C 0.291 175.072 174.700 0.134 0.000 1.096 661 T CA 0.109 62.177 62.100 -0.054 0.000 1.012 661 T CB -0.284 68.658 68.868 0.123 0.000 0.977 661 T HN 0.164 nan 8.240 nan 0.000 0.527 662 V N -2.921 117.035 119.914 0.069 0.000 3.126 662 V HA 0.581 4.738 4.120 0.061 0.000 0.314 662 V C -0.278 175.860 176.094 0.074 0.000 1.138 662 V CA -0.966 61.407 62.300 0.123 0.000 1.034 662 V CB 2.115 34.029 31.823 0.152 0.000 1.075 662 V HN -0.028 nan 8.190 nan 0.000 0.442 663 D N 0.871 121.319 120.400 0.080 0.000 2.366 663 D HA 0.516 5.192 4.640 0.061 0.000 0.205 663 D C 0.546 176.831 176.300 -0.023 0.000 1.022 663 D CA 1.521 55.543 54.000 0.037 0.000 0.868 663 D CB 1.490 42.334 40.800 0.074 0.000 0.953 663 D HN 1.037 nan 8.370 nan 0.000 0.514 664 A N -0.023 122.799 122.820 0.004 0.000 2.567 664 A HA 0.498 4.855 4.320 0.061 0.000 0.291 664 A C -1.668 175.933 177.584 0.028 0.000 1.048 664 A CA -0.581 51.444 52.037 -0.020 0.000 0.661 664 A CB 1.253 20.227 19.000 -0.043 0.000 1.288 664 A HN -0.113 nan 8.150 nan 0.000 0.424 665 V N 1.172 121.095 119.914 0.015 0.000 2.588 665 V HA 0.601 4.757 4.120 0.061 0.000 0.304 665 V C -0.615 175.484 176.094 0.008 0.000 1.042 665 V CA -0.237 62.087 62.300 0.042 0.000 0.877 665 V CB 1.532 33.404 31.823 0.081 0.000 0.996 665 V HN 0.702 nan 8.190 nan 0.000 0.425 666 I N 4.146 124.727 120.570 0.020 0.000 2.509 666 I HA 0.581 4.787 4.170 0.061 0.000 0.293 666 I C -0.903 175.237 176.117 0.037 0.000 1.020 666 I CA -0.970 60.366 61.300 0.059 0.000 1.088 666 I CB 2.340 40.404 38.000 0.107 0.000 1.267 666 I HN 0.287 nan 8.210 nan 0.000 0.430 667 V N 7.363 127.316 119.914 0.065 0.000 2.349 667 V HA 0.341 4.498 4.120 0.061 0.000 0.284 667 V C -2.007 174.141 176.094 0.089 0.000 1.014 667 V CA -1.461 60.863 62.300 0.039 0.000 0.826 667 V CB 1.279 33.091 31.823 -0.019 0.000 1.009 667 V HN 0.585 nan 8.190 nan 0.000 0.431 671 N N 1.766 120.484 118.700 0.030 0.000 2.819 671 N HA 0.110 4.887 4.740 0.061 0.000 0.284 671 N C 1.686 177.233 175.510 0.062 0.000 1.196 671 N CA -0.350 52.722 53.050 0.037 0.000 1.114 671 N CB -0.286 38.224 38.487 0.039 0.000 1.437 671 N HN 0.342 nan 8.380 nan 0.000 0.518 672 I N 0.810 121.407 120.570 0.045 0.000 2.361 672 I HA -0.225 3.981 4.170 0.061 0.000 0.251 672 I C 2.084 178.210 176.117 0.014 0.000 1.133 672 I CA 0.693 62.023 61.300 0.049 0.000 1.413 672 I CB -1.543 36.451 38.000 -0.010 0.000 1.073 672 I HN 0.440 nan 8.210 nan 0.000 0.424 673 A N 0.908 123.726 122.820 -0.004 0.000 1.986 673 A HA -0.308 4.048 4.320 0.061 0.000 0.220 673 A C 2.096 179.698 177.584 0.030 0.000 1.171 673 A CA 2.259 54.291 52.037 -0.010 0.000 0.640 673 A CB -0.832 18.163 19.000 -0.007 0.000 0.811 673 A HN 0.447 nan 8.150 nan 0.000 0.451 674 D N 0.245 120.689 120.400 0.073 0.000 2.158 674 D HA -0.168 4.509 4.640 0.061 0.000 0.197 674 D C 1.511 177.892 176.300 0.134 0.000 0.995 674 D CA 1.833 55.904 54.000 0.118 0.000 0.846 674 D CB -0.228 40.678 40.800 0.177 0.000 0.941 674 D HN 0.671 nan 8.370 nan 0.000 0.456 675 I N -4.126 116.539 120.570 0.159 0.000 4.154 675 I HA 0.500 4.707 4.170 0.061 0.000 0.334 675 I C 1.815 178.042 176.117 0.184 0.000 1.371 675 I CA -0.108 61.306 61.300 0.190 0.000 1.110 675 I CB 0.243 38.403 38.000 0.267 0.000 1.085 675 I HN -0.084 nan 8.210 nan 0.000 0.398 676 A N 1.663 124.508 122.820 0.042 0.000 1.940 676 A HA -0.150 4.207 4.320 0.061 0.000 0.219 676 A C 1.510 179.065 177.584 -0.048 0.000 1.176 676 A CA 1.989 53.939 52.037 -0.145 0.000 0.631 676 A CB -0.439 18.424 19.000 -0.229 0.000 0.814 676 A HN 0.524 nan 8.150 nan 0.000 0.446 677 D N -0.530 119.871 120.400 0.001 0.000 2.424 677 D HA 0.045 4.722 4.640 0.061 0.000 0.220 677 D C -0.141 176.181 176.300 0.037 0.000 1.150 677 D CA -0.202 53.805 54.000 0.012 0.000 0.831 677 D CB -0.211 40.588 40.800 -0.002 0.000 0.981 677 D HN 0.343 nan 8.370 nan 0.000 0.500 678 N N 1.004 119.740 118.700 0.060 0.000 2.430 678 N HA 0.057 4.834 4.740 0.061 0.000 0.265 678 N C 1.325 176.862 175.510 0.046 0.000 1.100 678 N CA -0.032 53.050 53.050 0.054 0.000 0.961 678 N CB 1.613 40.142 38.487 0.070 0.000 1.075 678 N HN 0.005 nan 8.380 nan 0.000 0.478 679 G N 3.164 111.992 108.800 0.047 0.000 2.418 679 G HA2 -0.239 3.757 3.960 0.061 0.000 0.217 679 G HA3 -0.239 3.757 3.960 0.061 0.000 0.217 679 G C 0.940 175.886 174.900 0.076 0.000 1.158 679 G CA 0.507 45.640 45.100 0.054 0.000 0.771 679 G HN 0.602 nan 8.290 nan 0.000 0.545 680 D N 0.910 121.358 120.400 0.080 0.000 2.144 680 D HA 0.007 4.684 4.640 0.061 0.000 0.200 680 D C 2.788 179.079 176.300 -0.015 0.000 0.978 680 D CA 1.140 55.219 54.000 0.132 0.000 0.833 680 D CB -0.367 40.576 40.800 0.238 0.000 0.961 680 D HN 0.305 nan 8.370 nan 0.000 0.470 681 A N 1.031 123.661 122.820 -0.318 0.000 1.898 681 A HA -0.165 4.191 4.320 0.061 0.000 0.216 681 A C 2.027 179.412 177.584 -0.332 0.000 1.181 681 A CA 1.143 52.752 52.037 -0.713 0.000 0.620 681 A CB -0.427 18.055 19.000 -0.863 0.000 0.819 681 A HN 0.130 nan 8.150 nan 0.000 0.442 682 N N -1.450 117.202 118.700 -0.081 0.000 2.120 682 N HA -0.183 4.594 4.740 0.061 0.000 0.188 682 N C 1.683 177.193 175.510 -0.001 0.000 1.024 682 N CA 1.777 54.838 53.050 0.019 0.000 0.852 682 N CB -0.466 38.096 38.487 0.126 0.000 1.003 682 N HN 0.690 nan 8.380 nan 0.000 0.424 683 Y N 0.592 120.860 120.300 -0.053 0.000 2.242 683 Y HA -0.267 4.319 4.550 0.061 0.000 0.291 683 Y C 2.378 178.237 175.900 -0.068 0.000 1.137 683 Y CA 1.243 59.311 58.100 -0.054 0.000 1.181 683 Y CB -0.443 37.992 38.460 -0.041 0.000 0.989 683 Y HN 0.005 nan 8.280 nan 0.000 0.527 684 Y N 0.498 120.686 120.300 -0.186 0.000 2.096 684 Y HA -0.382 4.205 4.550 0.061 0.000 0.278 684 Y C 2.132 177.841 175.900 -0.318 0.000 1.192 684 Y CA 2.337 60.292 58.100 -0.241 0.000 1.143 684 Y CB -0.530 37.787 38.460 -0.240 0.000 0.963 684 Y HN 0.155 nan 8.280 nan 0.000 0.505 685 L N -1.226 119.928 121.223 -0.116 0.000 2.072 685 L HA -0.248 4.129 4.340 0.061 0.000 0.205 685 L C 2.431 179.180 176.870 -0.201 0.000 1.079 685 L CA 1.337 56.086 54.840 -0.152 0.000 0.752 685 L CB -0.503 41.427 42.059 -0.214 0.000 0.906 685 L HN 0.292 nan 8.230 nan 0.000 0.436 686 M N -0.572 118.853 119.600 -0.292 0.000 2.117 686 M HA -0.236 4.281 4.480 0.061 0.000 0.262 686 M C 2.225 178.252 176.300 -0.456 0.000 1.065 686 M CA 1.727 56.835 55.300 -0.319 0.000 1.114 686 M CB -0.413 31.999 32.600 -0.313 0.000 1.361 686 M HN 0.234 nan 8.290 nan 0.000 0.408 687 E N 0.593 120.334 120.200 -0.764 0.000 2.072 687 E HA -0.164 4.223 4.350 0.061 0.000 0.191 687 E C 2.021 178.243 176.600 -0.631 0.000 0.985 687 E CA 1.225 57.143 56.400 -0.803 0.000 0.801 687 E CB 0.041 29.244 29.700 -0.828 0.000 0.750 687 E HN 0.466 nan 8.360 nan 0.000 0.452 688 A N 0.299 122.877 122.820 -0.404 0.000 1.902 688 A HA -0.201 4.156 4.320 0.061 0.000 0.217 688 A C 2.029 179.503 177.584 -0.183 0.000 1.181 688 A CA 1.405 53.299 52.037 -0.239 0.000 0.623 688 A CB -0.916 18.005 19.000 -0.132 0.000 0.818 688 A HN 0.532 nan 8.150 nan 0.000 0.443 689 Y N 0.577 120.714 120.300 -0.272 0.000 2.097 689 Y HA -0.240 4.347 4.550 0.061 0.000 0.282 689 Y C 2.415 178.184 175.900 -0.218 0.000 1.152 689 Y CA 2.378 60.349 58.100 -0.216 0.000 1.136 689 Y CB -0.299 38.050 38.460 -0.185 0.000 0.975 689 Y HN 0.320 nan 8.280 nan 0.000 0.498 690 K N -0.744 119.529 120.400 -0.212 0.000 2.113 690 K HA -0.247 4.110 4.320 0.061 0.000 0.208 690 K C 1.236 177.718 176.600 -0.197 0.000 1.047 690 K CA 2.175 58.314 56.287 -0.247 0.000 0.928 690 K CB -0.424 31.862 32.500 -0.357 0.000 0.716 690 K HN 0.598 nan 8.250 nan 0.000 0.446 691 H N -0.183 118.758 119.070 -0.215 0.000 2.526 691 H HA 0.194 4.786 4.556 0.061 0.000 0.274 691 H C -0.059 175.099 175.328 -0.285 0.000 0.999 691 H CA 0.209 56.127 56.048 -0.216 0.000 1.157 691 H CB 0.243 29.878 29.762 -0.212 0.000 1.407 691 H HN 0.111 nan 8.280 nan 0.000 0.568 692 L N 0.039 121.104 121.223 -0.263 0.000 4.192 692 L HA -0.251 4.126 4.340 0.061 0.000 0.403 692 L C -0.495 176.111 176.870 -0.440 0.000 1.163 692 L CA 0.504 55.099 54.840 -0.410 0.000 0.937 692 L CB -1.770 40.023 42.059 -0.443 0.000 2.134 692 L HN 0.277 nan 8.230 nan 0.000 0.754 693 K N 0.792 121.001 120.400 -0.319 0.000 2.118 693 K HA 0.521 4.878 4.320 0.061 0.000 0.267 693 K C -2.195 174.269 176.600 -0.226 0.000 0.991 693 K CA -1.867 54.253 56.287 -0.277 0.000 0.916 693 K CB 0.651 33.040 32.500 -0.184 0.000 1.041 693 K HN -0.230 nan 8.250 nan 0.000 0.455 694 P HA 0.004 nan 4.420 nan 0.000 0.264 694 P C -0.755 176.482 177.300 -0.105 0.000 1.183 694 P CA 0.522 63.525 63.100 -0.162 0.000 0.763 694 P CB 0.392 31.996 31.700 -0.159 0.000 0.807 695 I N 1.767 122.289 120.570 -0.081 0.000 2.608 695 I HA 0.650 4.857 4.170 0.061 0.000 0.295 695 I C -0.328 175.741 176.117 -0.081 0.000 1.049 695 I CA -0.870 60.399 61.300 -0.052 0.000 1.063 695 I CB 2.277 40.273 38.000 -0.007 0.000 1.248 695 I HN 0.255 nan 8.210 nan 0.000 0.424 696 A N 7.256 130.036 122.820 -0.068 0.000 2.359 696 A HA 0.884 5.241 4.320 0.061 0.000 0.303 696 A C -1.220 176.459 177.584 0.160 0.000 1.066 696 A CA -0.426 51.545 52.037 -0.110 0.000 0.730 696 A CB 1.085 19.878 19.000 -0.345 0.000 1.211 696 A HN 0.645 nan 8.150 nan 0.000 0.439 697 L N 2.118 123.504 121.223 0.272 0.000 2.376 697 L HA 0.735 5.111 4.340 0.061 0.000 0.275 697 L C 0.196 177.274 176.870 0.347 0.000 0.987 697 L CA -0.583 54.421 54.840 0.274 0.000 0.828 697 L CB 2.010 44.173 42.059 0.174 0.000 1.249 697 L HN 0.792 nan 8.230 nan 0.000 0.409 698 A N 2.253 125.170 122.820 0.162 0.000 2.330 698 A HA 0.858 5.215 4.320 0.061 0.000 0.327 698 A C 0.641 178.204 177.584 -0.036 0.000 1.155 698 A CA 0.280 52.266 52.037 -0.087 0.000 0.803 698 A CB 1.222 19.978 19.000 -0.407 0.000 1.208 698 A HN 0.992 nan 8.150 nan 0.000 0.477 699 G N 2.003 110.774 108.800 -0.049 0.000 2.622 699 G HA2 -0.344 3.652 3.960 0.061 0.000 0.307 699 G HA3 -0.344 3.652 3.960 0.061 0.000 0.307 699 G C 0.463 175.363 174.900 0.001 0.000 1.226 699 G CA 0.877 45.960 45.100 -0.030 0.000 0.997 699 G HN 0.720 nan 8.290 nan 0.000 0.551 700 D N 1.406 121.804 120.400 -0.003 0.000 2.378 700 D HA 0.235 4.912 4.640 0.061 0.000 0.222 700 D C 2.500 178.809 176.300 0.016 0.000 0.980 700 D CA 1.483 55.480 54.000 -0.005 0.000 0.907 700 D CB -0.598 40.191 40.800 -0.018 0.000 0.899 700 D HN 0.782 nan 8.370 nan 0.000 0.527 701 A N 0.537 123.402 122.820 0.075 0.000 2.067 701 A HA -0.145 4.212 4.320 0.061 0.000 0.219 701 A C 2.049 179.753 177.584 0.201 0.000 1.158 701 A CA 0.632 52.785 52.037 0.194 0.000 0.661 701 A CB -0.336 18.789 19.000 0.208 0.000 0.801 701 A HN 0.118 nan 8.150 nan 0.000 0.452 702 R N 0.123 120.686 120.500 0.106 0.000 2.249 702 R HA -0.115 4.262 4.340 0.061 0.000 0.230 702 R C 1.546 177.861 176.300 0.025 0.000 1.121 702 R CA 1.166 57.312 56.100 0.078 0.000 0.997 702 R CB -0.161 30.169 30.300 0.051 0.000 0.867 702 R HN 0.450 nan 8.270 nan 0.000 0.465 703 K N -0.075 120.298 120.400 -0.045 0.000 2.281 703 K HA -0.160 4.197 4.320 0.061 0.000 0.203 703 K C 1.558 178.047 176.600 -0.185 0.000 1.046 703 K CA 1.216 57.414 56.287 -0.149 0.000 0.938 703 K CB -0.177 32.166 32.500 -0.261 0.000 0.737 703 K HN 0.269 nan 8.250 nan 0.000 0.458 704 F N 1.707 121.633 119.950 -0.040 0.000 2.502 704 F HA -0.047 4.516 4.527 0.061 0.000 0.298 704 F C 2.127 177.879 175.800 -0.081 0.000 1.111 704 F CA 0.714 58.678 58.000 -0.060 0.000 1.445 704 F CB -0.059 38.904 39.000 -0.061 0.000 1.081 704 F HN -0.041 nan 8.300 nan 0.000 0.558 705 K N 0.357 120.805 120.400 0.080 0.000 2.113 705 K HA -0.236 4.120 4.320 0.061 0.000 0.208 705 K C 2.298 178.871 176.600 -0.045 0.000 1.047 705 K CA 1.244 57.530 56.287 -0.002 0.000 0.928 705 K CB -0.421 32.074 32.500 -0.007 0.000 0.716 705 K HN 0.274 nan 8.250 nan 0.000 0.446 706 A N 0.874 123.671 122.820 -0.038 0.000 1.972 706 A HA -0.156 4.201 4.320 0.061 0.000 0.219 706 A C 2.111 179.663 177.584 -0.053 0.000 1.169 706 A CA 1.994 54.000 52.037 -0.051 0.000 0.635 706 A CB -0.822 18.145 19.000 -0.055 0.000 0.810 706 A HN 0.310 nan 8.150 nan 0.000 0.446 707 T N 0.614 115.155 114.554 -0.022 0.000 2.867 707 T HA -0.067 4.320 4.350 0.061 0.000 0.268 707 T C 1.410 176.045 174.700 -0.109 0.000 1.057 707 T CA 1.484 63.571 62.100 -0.022 0.000 1.136 707 T CB -0.474 68.434 68.868 0.067 0.000 0.874 707 T HN 0.748 nan 8.240 nan 0.000 0.466 708 I N -1.796 118.652 120.570 -0.203 0.000 3.889 708 I HA 0.476 4.683 4.170 0.061 0.000 0.332 708 I C -0.337 175.529 176.117 -0.419 0.000 1.493 708 I CA -0.758 60.282 61.300 -0.433 0.000 1.158 708 I CB -0.323 37.225 38.000 -0.753 0.000 1.117 708 I HN -0.083 nan 8.210 nan 0.000 0.411 709 K N 1.847 122.119 120.400 -0.213 0.000 3.148 709 K HA -0.121 4.236 4.320 0.061 0.000 0.267 709 K C -0.446 176.079 176.600 -0.125 0.000 0.996 709 K CA 0.447 56.652 56.287 -0.137 0.000 0.737 709 K CB -1.270 31.172 32.500 -0.097 0.000 1.308 709 K HN 0.392 nan 8.250 nan 0.000 0.470 710 I N 0.860 121.354 120.570 -0.126 0.000 2.371 710 I HA 0.256 4.463 4.170 0.061 0.000 0.290 710 I C 1.377 177.472 176.117 -0.037 0.000 1.028 710 I CA -0.733 60.524 61.300 -0.071 0.000 1.345 710 I CB 0.374 38.335 38.000 -0.065 0.000 1.407 710 I HN 0.301 nan 8.210 nan 0.000 0.501 711 A N 4.831 127.640 122.820 -0.017 0.000 2.406 711 A HA 0.093 4.449 4.320 0.061 0.000 0.243 711 A C 1.004 178.584 177.584 -0.008 0.000 1.082 711 A CA -0.124 51.907 52.037 -0.011 0.000 0.786 711 A CB -0.055 18.944 19.000 -0.003 0.000 1.029 711 A HN 0.798 nan 8.150 nan 0.000 0.495 712 D N -0.059 120.337 120.400 -0.007 0.000 2.149 712 D HA -0.159 4.517 4.640 0.061 0.000 0.198 712 D C 1.606 177.907 176.300 0.002 0.000 0.990 712 D CA 1.798 55.796 54.000 -0.003 0.000 0.839 712 D CB 0.002 40.799 40.800 -0.005 0.000 0.948 712 D HN 0.586 nan 8.370 nan 0.000 0.460 713 Q N -0.090 119.711 119.800 0.002 0.000 2.297 713 Q HA 0.078 4.454 4.340 0.061 0.000 0.208 713 Q C 0.982 176.986 176.000 0.007 0.000 0.981 713 Q CA 1.137 56.943 55.803 0.005 0.000 0.876 713 Q CB -0.350 28.391 28.738 0.005 0.000 0.921 713 Q HN 0.335 nan 8.270 nan 0.000 0.446 714 G N 0.047 108.851 108.800 0.006 0.000 2.698 714 G HA2 -0.161 3.836 3.960 0.061 0.000 0.225 714 G HA3 -0.161 3.836 3.960 0.061 0.000 0.225 714 G C -0.935 173.970 174.900 0.009 0.000 1.345 714 G CA -0.244 44.861 45.100 0.008 0.000 0.871 714 G HN 0.373 nan 8.290 nan 0.000 0.540 715 E N -1.208 118.999 120.200 0.011 0.000 2.407 715 E HA 0.562 4.949 4.350 0.061 0.000 0.279 715 E C -0.721 175.877 176.600 -0.003 0.000 1.012 715 E CA -0.882 55.525 56.400 0.012 0.000 0.800 715 E CB 1.239 30.959 29.700 0.034 0.000 1.276 715 E HN 0.625 nan 8.360 nan 0.000 0.452 716 E N 0.283 120.474 120.200 -0.016 0.000 2.480 716 E HA 0.278 4.665 4.350 0.061 0.000 0.258 716 E C 0.647 177.209 176.600 -0.063 0.000 0.984 716 E CA 1.429 57.805 56.400 -0.041 0.000 0.930 716 E CB 0.514 30.188 29.700 -0.042 0.000 0.936 716 E HN 0.853 nan 8.360 nan 0.000 0.466 717 G N 3.378 112.127 108.800 -0.084 0.000 2.213 717 G HA2 -0.200 3.797 3.960 0.061 0.000 0.226 717 G HA3 -0.200 3.797 3.960 0.061 0.000 0.226 717 G C 0.072 174.924 174.900 -0.080 0.000 0.992 717 G CA -0.516 44.516 45.100 -0.114 0.000 0.632 717 G HN 0.438 nan 8.290 nan 0.000 0.511 718 I N 2.142 122.688 120.570 -0.039 0.000 2.355 718 I HA 0.473 4.680 4.170 0.061 0.000 0.288 718 I C 0.474 176.551 176.117 -0.066 0.000 0.999 718 I CA -1.133 60.150 61.300 -0.028 0.000 1.163 718 I CB 1.296 39.309 38.000 0.021 0.000 1.316 718 I HN -0.102 nan 8.210 nan 0.000 0.454 719 V N 7.496 127.330 119.914 -0.134 0.000 2.465 719 V HA 0.351 4.507 4.120 0.061 0.000 0.279 719 V C 0.256 176.291 176.094 -0.098 0.000 1.045 719 V CA -0.459 61.712 62.300 -0.215 0.000 0.938 719 V CB 1.134 32.669 31.823 -0.481 0.000 0.986 719 V HN 0.833 nan 8.190 nan 0.000 0.467 720 E N 4.136 124.357 120.200 0.035 0.000 2.331 720 E HA 0.892 5.279 4.350 0.061 0.000 0.275 720 E C -0.895 175.863 176.600 0.263 0.000 0.895 720 E CA -1.000 55.520 56.400 0.200 0.000 0.753 720 E CB 2.681 32.448 29.700 0.111 0.000 1.216 720 E HN 0.771 nan 8.360 nan 0.000 0.434 721 A N 1.748 124.742 122.820 0.289 0.000 2.586 721 A HA 0.347 4.704 4.320 0.061 0.000 0.290 721 A C -0.497 177.109 177.584 0.037 0.000 1.086 721 A CA -0.651 51.480 52.037 0.157 0.000 0.665 721 A CB 1.123 20.249 19.000 0.210 0.000 1.279 721 A HN 0.587 nan 8.150 nan 0.000 0.423 722 D N 0.494 120.893 120.400 -0.001 0.000 2.182 722 D HA 0.013 4.690 4.640 0.061 0.000 0.201 722 D C 1.062 177.305 176.300 -0.096 0.000 0.986 722 D CA 2.375 56.353 54.000 -0.036 0.000 0.847 722 D CB 0.030 40.814 40.800 -0.025 0.000 0.942 722 D HN 0.818 nan 8.370 nan 0.000 0.467 723 S N -1.785 113.819 115.700 -0.160 0.000 2.625 723 S HA 0.667 5.174 4.470 0.061 0.000 0.271 723 S C -0.934 173.339 174.600 -0.545 0.000 1.161 723 S CA -0.838 57.195 58.200 -0.278 0.000 0.820 723 S CB 1.957 65.054 63.200 -0.172 0.000 1.137 723 S HN 0.013 nan 8.310 nan 0.000 0.470 724 A N 1.913 124.331 122.820 -0.670 0.000 2.671 724 A HA 0.547 4.903 4.320 0.061 0.000 0.306 724 A C 0.057 177.488 177.584 -0.254 0.000 1.473 724 A CA -0.286 51.241 52.037 -0.850 0.000 1.155 724 A CB -1.416 17.241 19.000 -0.572 0.000 1.123 724 A HN 0.811 nan 8.150 nan 0.000 0.545 725 D N 1.331 121.677 120.400 -0.090 0.000 2.607 725 D HA 0.498 5.174 4.640 0.061 0.000 0.253 725 D C 1.386 177.740 176.300 0.091 0.000 1.171 725 D CA 0.146 54.151 54.000 0.009 0.000 1.084 725 D CB -0.265 40.537 40.800 0.005 0.000 1.203 725 D HN 0.134 nan 8.370 nan 0.000 0.629 726 G N -0.577 108.261 108.800 0.064 0.000 2.433 726 G HA2 -0.266 3.730 3.960 0.061 0.000 0.216 726 G HA3 -0.266 3.730 3.960 0.061 0.000 0.216 726 G C 1.561 176.511 174.900 0.083 0.000 1.186 726 G CA 1.410 46.547 45.100 0.062 0.000 0.779 726 G HN 0.462 nan 8.290 nan 0.000 0.543 727 S N -0.147 115.603 115.700 0.085 0.000 2.359 727 S HA -0.172 4.334 4.470 0.061 0.000 0.224 727 S C 2.077 176.749 174.600 0.120 0.000 1.035 727 S CA 1.681 59.931 58.200 0.084 0.000 1.018 727 S CB -0.486 62.759 63.200 0.075 0.000 0.876 727 S HN 0.369 nan 8.310 nan 0.000 0.448 728 F N 1.860 121.809 119.950 -0.003 0.000 2.065 728 F HA -0.180 4.383 4.527 0.061 0.000 0.298 728 F C 2.196 177.993 175.800 -0.005 0.000 1.112 728 F CA 2.064 60.062 58.000 -0.003 0.000 1.212 728 F CB -0.315 38.684 39.000 -0.002 0.000 0.975 728 F HN 0.220 nan 8.300 nan 0.000 0.476 729 M N 0.141 119.873 119.600 0.220 0.000 2.132 729 M HA -0.179 4.337 4.480 0.061 0.000 0.263 729 M C 1.897 178.198 176.300 0.002 0.000 1.065 729 M CA 1.434 56.789 55.300 0.091 0.000 1.122 729 M CB -1.456 31.223 32.600 0.132 0.000 1.365 729 M HN 0.136 nan 8.290 nan 0.000 0.411 730 D N 0.623 121.033 120.400 0.017 0.000 2.104 730 D HA -0.168 4.509 4.640 0.061 0.000 0.194 730 D C 1.996 178.274 176.300 -0.036 0.000 0.994 730 D CA 1.267 55.265 54.000 -0.004 0.000 0.830 730 D CB -0.180 40.625 40.800 0.008 0.000 0.959 730 D HN 0.484 nan 8.370 nan 0.000 0.452 731 E N 0.295 120.460 120.200 -0.058 0.000 2.058 731 E HA -0.147 4.240 4.350 0.061 0.000 0.194 731 E C 2.173 178.694 176.600 -0.131 0.000 0.997 731 E CA 0.278 56.621 56.400 -0.095 0.000 0.801 731 E CB -0.111 29.516 29.700 -0.122 0.000 0.746 731 E HN 0.199 nan 8.360 nan 0.000 0.450 732 L N 1.106 122.218 121.223 -0.185 0.000 2.017 732 L HA -0.172 4.205 4.340 0.061 0.000 0.208 732 L C 2.219 179.022 176.870 -0.112 0.000 1.073 732 L CA 1.521 56.247 54.840 -0.190 0.000 0.745 732 L CB -0.444 41.466 42.059 -0.247 0.000 0.894 732 L HN 0.227 nan 8.230 nan 0.000 0.432 733 L N -0.464 120.714 121.223 -0.076 0.000 2.131 733 L HA -0.207 4.169 4.340 0.061 0.000 0.210 733 L C 2.475 179.321 176.870 -0.040 0.000 1.092 733 L CA 1.520 56.333 54.840 -0.046 0.000 0.759 733 L CB -0.701 41.341 42.059 -0.027 0.000 0.903 733 L HN 0.267 nan 8.230 nan 0.000 0.435 734 T N 0.181 114.708 114.554 -0.045 0.000 2.746 734 T HA -0.153 4.234 4.350 0.061 0.000 0.267 734 T C 1.941 176.613 174.700 -0.047 0.000 1.039 734 T CA 1.225 63.304 62.100 -0.035 0.000 1.142 734 T CB -0.227 68.622 68.868 -0.032 0.000 0.866 734 T HN 0.195 nan 8.240 nan 0.000 0.444 735 L N 0.262 121.438 121.223 -0.078 0.000 2.046 735 L HA -0.078 4.298 4.340 0.061 0.000 0.208 735 L C 2.710 179.519 176.870 -0.102 0.000 1.077 735 L CA 1.301 56.076 54.840 -0.108 0.000 0.747 735 L CB -0.583 41.390 42.059 -0.143 0.000 0.896 735 L HN 0.290 nan 8.230 nan 0.000 0.432 736 M N -0.673 118.882 119.600 -0.076 0.000 2.213 736 M HA -0.173 4.343 4.480 0.061 0.000 0.263 736 M C 2.468 178.772 176.300 0.007 0.000 1.062 736 M CA 1.692 56.966 55.300 -0.044 0.000 1.105 736 M CB -0.463 32.118 32.600 -0.031 0.000 1.385 736 M HN 0.334 nan 8.290 nan 0.000 0.417 737 A N 0.196 123.020 122.820 0.007 0.000 2.019 737 A HA 0.030 4.386 4.320 0.061 0.000 0.219 737 A C 2.165 179.794 177.584 0.074 0.000 1.164 737 A CA 1.681 53.742 52.037 0.041 0.000 0.644 737 A CB -0.640 18.378 19.000 0.029 0.000 0.805 737 A HN 0.502 nan 8.150 nan 0.000 0.449 738 A N -2.668 120.175 122.820 0.038 0.000 2.251 738 A HA 0.320 4.677 4.320 0.061 0.000 0.209 738 A C 0.972 178.597 177.584 0.069 0.000 1.187 738 A CA 1.396 53.471 52.037 0.064 0.000 0.823 738 A CB -0.467 18.528 19.000 -0.009 0.000 0.846 738 A HN 1.025 nan 8.150 nan 0.000 0.486 739 H N -1.732 117.290 119.070 -0.079 0.000 4.823 739 H HA -0.172 4.421 4.556 0.061 0.000 0.064 739 H C 0.053 175.177 175.328 -0.340 0.000 0.599 739 H CA 2.260 58.245 56.048 -0.105 0.000 0.956 739 H CB -0.622 29.192 29.762 0.086 0.000 0.432 739 H HN 0.447 nan 8.280 nan 0.000 0.798 740 R N -0.280 119.660 120.500 -0.933 0.000 2.836 740 R HA 0.638 5.015 4.340 0.061 0.000 0.269 740 R C -0.828 174.651 176.300 -1.369 0.000 1.010 740 R CA -0.301 55.017 56.100 -1.303 0.000 0.930 740 R CB 1.843 31.005 30.300 -1.897 0.000 1.218 740 R HN 0.069 nan 8.270 nan 0.000 0.473 741 V N 2.273 121.581 119.914 -1.010 0.000 2.247 741 V HA 0.149 4.306 4.120 0.061 0.000 0.262 741 V C 0.452 176.162 176.094 -0.640 0.000 1.096 741 V CA -0.423 61.451 62.300 -0.710 0.000 0.895 741 V CB 0.217 31.774 31.823 -0.444 0.000 1.141 741 V HN 0.723 nan 8.190 nan 0.000 0.478 742 W N 1.668 122.683 121.300 -0.474 0.000 2.467 742 W HA -0.112 4.585 4.660 0.061 0.000 0.275 742 W C 2.490 178.777 176.519 -0.386 0.000 1.239 742 W CA 0.759 57.716 57.345 -0.647 0.000 1.266 742 W CB -0.270 28.369 29.460 -1.369 0.000 1.112 742 W HN 0.654 nan 8.180 nan 0.000 0.576 743 S N 0.775 116.411 115.700 -0.107 0.000 2.474 743 S HA -0.161 4.345 4.470 0.061 0.000 0.235 743 S C 1.719 176.273 174.600 -0.076 0.000 0.997 743 S CA 0.909 59.074 58.200 -0.059 0.000 0.949 743 S CB -0.434 62.737 63.200 -0.049 0.000 0.766 743 S HN 0.401 nan 8.310 nan 0.000 0.517 744 R N 0.798 121.210 120.500 -0.146 0.000 2.236 744 R HA 0.213 4.590 4.340 0.061 0.000 0.208 744 R C 1.861 178.090 176.300 -0.117 0.000 1.036 744 R CA 0.523 56.521 56.100 -0.171 0.000 1.001 744 R CB -0.401 29.690 30.300 -0.348 0.000 0.896 744 R HN 0.469 nan 8.270 nan 0.000 0.464 745 I N 1.726 122.260 120.570 -0.060 0.000 2.185 745 I HA -0.240 3.966 4.170 0.061 0.000 0.246 745 I C -0.825 175.311 176.117 0.030 0.000 1.088 745 I CA 1.359 62.666 61.300 0.012 0.000 1.347 745 I CB -0.834 37.223 38.000 0.095 0.000 1.041 745 I HN 0.172 nan 8.210 nan 0.000 0.415 746 P HA -0.161 nan 4.420 nan 0.000 0.221 746 P C 1.210 178.536 177.300 0.043 0.000 1.145 746 P CA 1.418 64.544 63.100 0.043 0.000 0.795 746 P CB -0.034 31.689 31.700 0.038 0.000 0.775 747 K N -0.710 119.710 120.400 0.034 0.000 2.379 747 K HA 0.108 4.465 4.320 0.061 0.000 0.194 747 K C 1.874 178.532 176.600 0.097 0.000 1.031 747 K CA 0.269 56.600 56.287 0.073 0.000 1.037 747 K CB -0.181 32.384 32.500 0.109 0.000 0.824 747 K HN 0.254 nan 8.250 nan 0.000 0.516 748 I N -2.176 118.420 120.570 0.044 0.000 2.716 748 I HA -0.035 4.172 4.170 0.061 0.000 0.259 748 I C 0.948 177.102 176.117 0.061 0.000 1.172 748 I CA 1.042 62.370 61.300 0.047 0.000 1.478 748 I CB 0.039 38.023 38.000 -0.025 0.000 1.104 748 I HN -0.153 nan 8.210 nan 0.000 0.439 749 D N 2.473 122.911 120.400 0.063 0.000 2.263 749 D HA -0.144 4.532 4.640 0.061 0.000 0.208 749 D C 2.083 178.419 176.300 0.060 0.000 0.971 749 D CA 1.296 55.335 54.000 0.065 0.000 0.867 749 D CB -0.018 40.824 40.800 0.071 0.000 0.929 749 D HN 0.645 nan 8.370 nan 0.000 0.492 750 K N 0.584 121.019 120.400 0.059 0.000 2.116 750 K HA -0.018 4.338 4.320 0.061 0.000 0.203 750 K C 0.927 177.555 176.600 0.047 0.000 1.052 750 K CA 0.081 56.398 56.287 0.050 0.000 0.952 750 K CB -0.459 32.069 32.500 0.046 0.000 0.729 750 K HN 0.127 nan 8.250 nan 0.000 0.446 751 I N 1.593 122.198 120.570 0.057 0.000 2.668 751 I HA 0.098 4.304 4.170 0.061 0.000 0.285 751 I C -2.647 173.495 176.117 0.043 0.000 1.168 751 I CA -2.630 58.697 61.300 0.046 0.000 1.424 751 I CB -0.358 37.678 38.000 0.060 0.000 1.377 751 I HN -0.089 nan 8.210 nan 0.000 0.560 752 P HA 0.570 nan 4.420 nan 0.000 0.256 752 P C -0.622 176.730 177.300 0.086 0.000 1.689 752 P CA -0.023 63.110 63.100 0.056 0.000 1.124 752 P CB 0.409 32.138 31.700 0.048 0.000 1.766 753 A N 0.000 122.870 122.820 0.084 0.000 2.254 753 A HA 0.000 4.357 4.320 0.061 0.000 0.244 753 A CA 0.000 52.119 52.037 0.137 0.000 0.836 753 A CB 0.000 18.959 19.000 -0.069 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486