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 2fsf_1_B DATA FIRST_RESID 12 DATA SEQUENCE SRNDRTLRRM RKVVNIINAM EPEMEKLSDE ELKGKTAEFR ARLEKGEVLE DATA SEQUENCE NLIPEAFAVV REASKRVFGM RHFDVQLLGG MVLNERCIAE MRTGEGKTLT DATA SEQUENCE ATLPAYLNAL TGKGVHVVTV NDYLAQRDAE NNRPLFEFLG LTVGINLPGM DATA SEQUENCE PAPAKREAYA ADITYGTNNE YGFDYLRDNM AFSPEERVQR KLHYALVDEV DATA SEQUENCE DSILIDEART PLIISGPAED SXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXVL IEELLVKEGI MDEGESLYSP ANIMLMHHVT DATA SEQUENCE AAXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXIQNENQT LASITFQNYF RLYEKLAGMT GTADTEAFEF SSIYKLDTVV DATA SEQUENCE VPTNRPMIRK DLPDLVYMTE AEKIQAIIED IKERTAKGQP VLVGTISIEK DATA SEQUENCE SELVSNELTK AGIKHNVLNA KFHANEAAIV AQAGYPAAVT IATNMAGRGT DATA SEQUENCE DIVLGGSWQA EVAALENPTA EQIEKIKADW QVRHDAVLEA GGLHIIGTER DATA SEQUENCE HESRRIDNQL RGRSGRQGDA GSSRFYLSME DALMRIFASD RVSGMMRKLG DATA SEQUENCE MKPGEAIEHP WVTKAIANAQ RKVESRNFDI RKQLLEYDDV ANDQRRAIYS DATA SEQUENCE QRNELLDVSD VSETINSIRE DVFKATIDAY IPPQSLEEMW DIPGLQERLK DATA SEQUENCE NDFDLDLPIA EWLDKEPELH EETLRERILA QSIEVYQRKE EVVGAEMMRH DATA SEQUENCE FEKGVMLQTL DSLWKEHLAA MDYLRQGIHL RGYAQKDPKQ EYKRESFSMF DATA SEQUENCE AAMLESLKYE VISTLSKVQV R 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 12 S HA 0.000 nan 4.470 nan 0.000 0.327 12 S C 0.000 174.607 174.600 0.012 0.000 1.055 12 S CA 0.000 58.206 58.200 0.010 0.000 1.107 12 S CB 0.000 63.206 63.200 0.011 0.000 0.593 13 R N 0.911 121.419 120.500 0.014 0.000 1.776 13 R HA 0.481 4.823 4.340 0.003 0.000 0.146 13 R C 1.600 177.909 176.300 0.015 0.000 2.057 13 R CA 0.853 56.963 56.100 0.016 0.000 1.641 13 R CB -1.315 28.997 30.300 0.020 0.000 1.256 13 R HN 0.522 nan 8.270 nan 0.000 0.478 14 N N 1.321 120.031 118.700 0.016 0.000 2.244 14 N HA -0.128 4.614 4.740 0.003 0.000 0.183 14 N C 0.886 176.404 175.510 0.014 0.000 1.016 14 N CA 1.513 54.573 53.050 0.016 0.000 0.866 14 N CB -0.200 38.298 38.487 0.018 0.000 0.980 14 N HN 0.491 nan 8.380 nan 0.000 0.430 15 D N -0.431 119.977 120.400 0.013 0.000 2.144 15 D HA -0.147 4.495 4.640 0.003 0.000 0.199 15 D C 1.792 178.099 176.300 0.010 0.000 0.984 15 D CA 0.917 54.925 54.000 0.012 0.000 0.834 15 D CB -0.159 40.648 40.800 0.012 0.000 0.955 15 D HN 0.019 nan 8.370 nan 0.000 0.465 16 R N 0.473 120.979 120.500 0.010 0.000 2.100 16 R HA 0.085 4.427 4.340 0.003 0.000 0.220 16 R C 2.307 178.610 176.300 0.006 0.000 1.091 16 R CA 1.251 57.355 56.100 0.007 0.000 0.986 16 R CB -1.035 29.270 30.300 0.007 0.000 0.888 16 R HN 0.200 nan 8.270 nan 0.000 0.444 17 T N 1.208 115.767 114.554 0.007 0.000 2.708 17 T HA -0.071 4.281 4.350 0.003 0.000 0.266 17 T C 1.799 176.504 174.700 0.008 0.000 1.037 17 T CA 1.302 63.405 62.100 0.006 0.000 1.146 17 T CB -0.204 68.669 68.868 0.007 0.000 0.865 17 T HN 0.112 nan 8.240 nan 0.000 0.435 18 L N 0.303 121.533 121.223 0.012 0.000 2.046 18 L HA -0.084 4.258 4.340 0.003 0.000 0.208 18 L C 2.994 179.872 176.870 0.013 0.000 1.077 18 L CA 1.314 56.163 54.840 0.015 0.000 0.747 18 L CB -0.442 41.627 42.059 0.017 0.000 0.896 18 L HN 0.179 nan 8.230 nan 0.000 0.432 19 R N -0.173 120.333 120.500 0.010 0.000 2.083 19 R HA -0.214 4.128 4.340 0.003 0.000 0.237 19 R C 2.413 178.716 176.300 0.005 0.000 1.137 19 R CA 1.793 57.898 56.100 0.008 0.000 0.951 19 R CB -0.391 29.913 30.300 0.007 0.000 0.851 19 R HN 0.351 nan 8.270 nan 0.000 0.434 20 R N 0.675 121.175 120.500 0.001 0.000 2.092 20 R HA -0.054 4.288 4.340 0.003 0.000 0.231 20 R C 2.118 178.413 176.300 -0.009 0.000 1.119 20 R CA 1.324 57.420 56.100 -0.006 0.000 0.970 20 R CB -0.105 30.189 30.300 -0.010 0.000 0.864 20 R HN 0.167 nan 8.270 nan 0.000 0.440 21 M N 0.165 119.764 119.600 -0.003 0.000 2.175 21 M HA -0.063 4.419 4.480 0.003 0.000 0.264 21 M C 2.230 178.537 176.300 0.012 0.000 1.063 21 M CA 1.332 56.632 55.300 0.000 0.000 1.119 21 M CB -0.128 32.480 32.600 0.014 0.000 1.377 21 M HN 0.084 nan 8.290 nan 0.000 0.415 22 R N 0.755 121.265 120.500 0.017 0.000 2.105 22 R HA -0.116 4.226 4.340 0.003 0.000 0.239 22 R C 1.940 178.250 176.300 0.016 0.000 1.135 22 R CA 1.279 57.393 56.100 0.023 0.000 0.967 22 R CB -0.570 29.743 30.300 0.022 0.000 0.861 22 R HN 0.475 nan 8.270 nan 0.000 0.442 23 K N 0.206 120.610 120.400 0.006 0.000 2.097 23 K HA -0.065 4.257 4.320 0.003 0.000 0.206 23 K C 2.105 178.703 176.600 -0.004 0.000 1.049 23 K CA 1.172 57.460 56.287 0.002 0.000 0.933 23 K CB -0.037 32.461 32.500 -0.004 0.000 0.717 23 K HN -0.026 nan 8.250 nan 0.000 0.442 24 V N 0.792 120.698 119.914 -0.014 0.000 2.379 24 V HA -0.193 3.929 4.120 0.003 0.000 0.245 24 V C 2.234 178.323 176.094 -0.008 0.000 1.044 24 V CA 1.259 63.540 62.300 -0.032 0.000 1.036 24 V CB -0.308 31.473 31.823 -0.071 0.000 0.664 24 V HN 0.057 nan 8.190 nan 0.000 0.453 25 V N 0.941 120.867 119.914 0.020 0.000 2.282 25 V HA -0.311 3.811 4.120 0.003 0.000 0.249 25 V C 2.408 178.528 176.094 0.043 0.000 1.057 25 V CA 2.356 64.686 62.300 0.051 0.000 1.032 25 V CB -0.909 30.953 31.823 0.065 0.000 0.645 25 V HN 0.572 nan 8.190 nan 0.000 0.447 26 N N -0.006 118.713 118.700 0.030 0.000 2.149 26 N HA -0.109 4.633 4.740 0.003 0.000 0.188 26 N C 1.713 177.238 175.510 0.024 0.000 1.019 26 N CA 1.595 54.661 53.050 0.028 0.000 0.857 26 N CB -0.358 38.142 38.487 0.020 0.000 0.997 26 N HN 0.482 nan 8.380 nan 0.000 0.426 27 I N 0.706 121.285 120.570 0.015 0.000 2.179 27 I HA -0.226 3.946 4.170 0.003 0.000 0.242 27 I C 1.953 178.083 176.117 0.022 0.000 1.088 27 I CA 0.929 62.236 61.300 0.011 0.000 1.357 27 I CB -0.229 37.768 38.000 -0.006 0.000 1.051 27 I HN 0.027 nan 8.210 nan 0.000 0.409 28 I N 0.830 121.417 120.570 0.029 0.000 2.286 28 I HA -0.283 3.889 4.170 0.003 0.000 0.248 28 I C 2.183 178.334 176.117 0.056 0.000 1.115 28 I CA 1.254 62.584 61.300 0.051 0.000 1.392 28 I CB -0.504 37.545 38.000 0.082 0.000 1.065 28 I HN 0.286 nan 8.210 nan 0.000 0.418 29 N N 1.099 119.831 118.700 0.054 0.000 2.142 29 N HA -0.100 4.642 4.740 0.003 0.000 0.186 29 N C 1.929 177.465 175.510 0.043 0.000 1.023 29 N CA 1.542 54.624 53.050 0.053 0.000 0.852 29 N CB -0.438 38.081 38.487 0.053 0.000 0.998 29 N HN 0.335 nan 8.380 nan 0.000 0.424 30 A N 0.848 123.690 122.820 0.037 0.000 1.978 30 A HA -0.097 4.225 4.320 0.003 0.000 0.220 30 A C 2.103 179.708 177.584 0.034 0.000 1.170 30 A CA 1.219 53.275 52.037 0.032 0.000 0.636 30 A CB -0.498 18.518 19.000 0.026 0.000 0.810 30 A HN 0.252 nan 8.150 nan 0.000 0.448 31 M N -1.137 118.487 119.600 0.039 0.000 2.562 31 M HA -0.036 4.446 4.480 0.003 0.000 0.257 31 M C 1.851 178.178 176.300 0.045 0.000 1.099 31 M CA 1.085 56.412 55.300 0.045 0.000 1.099 31 M CB -0.134 32.499 32.600 0.055 0.000 1.427 31 M HN 0.637 nan 8.290 nan 0.000 0.489 32 E N 1.368 121.593 120.200 0.042 0.000 2.077 32 E HA -0.170 4.182 4.350 0.003 0.000 0.193 32 E C -0.912 175.709 176.600 0.034 0.000 0.989 32 E CA 1.235 57.658 56.400 0.039 0.000 0.800 32 E CB -0.531 29.192 29.700 0.039 0.000 0.746 32 E HN 0.285 nan 8.360 nan 0.000 0.452 33 P HA -0.132 nan 4.420 nan 0.000 0.218 33 P C 0.542 177.858 177.300 0.027 0.000 1.149 33 P CA 1.275 64.391 63.100 0.027 0.000 0.817 33 P CB 0.043 31.757 31.700 0.024 0.000 0.785 34 E N -1.039 119.179 120.200 0.030 0.000 2.058 34 E HA -0.170 4.182 4.350 0.003 0.000 0.194 34 E C 1.865 178.484 176.600 0.032 0.000 0.997 34 E CA 1.243 57.661 56.400 0.030 0.000 0.801 34 E CB -0.405 29.317 29.700 0.036 0.000 0.746 34 E HN 0.132 nan 8.360 nan 0.000 0.450 35 M N 0.540 120.163 119.600 0.039 0.000 2.175 35 M HA -0.112 4.370 4.480 0.003 0.000 0.264 35 M C 1.868 178.191 176.300 0.038 0.000 1.063 35 M CA 1.393 56.718 55.300 0.043 0.000 1.119 35 M CB -0.871 31.758 32.600 0.048 0.000 1.377 35 M HN 0.086 nan 8.290 nan 0.000 0.415 36 E N 0.236 120.455 120.200 0.031 0.000 2.171 36 E HA -0.233 4.119 4.350 0.003 0.000 0.197 36 E C 1.796 178.412 176.600 0.027 0.000 0.997 36 E CA 1.303 57.720 56.400 0.027 0.000 0.810 36 E CB -0.167 29.547 29.700 0.023 0.000 0.738 36 E HN 0.418 nan 8.360 nan 0.000 0.467 37 K N -0.108 120.306 120.400 0.024 0.000 2.418 37 K HA 0.023 4.345 4.320 0.003 0.000 0.195 37 K C -0.005 176.605 176.600 0.017 0.000 1.035 37 K CA -0.008 56.290 56.287 0.019 0.000 1.003 37 K CB 0.248 32.757 32.500 0.016 0.000 0.793 37 K HN -0.070 nan 8.250 nan 0.000 0.494 38 L N 1.542 122.778 121.223 0.021 0.000 2.426 38 L HA 0.059 4.401 4.340 0.003 0.000 0.271 38 L C 0.532 177.414 176.870 0.020 0.000 1.169 38 L CA 0.100 54.950 54.840 0.016 0.000 0.836 38 L CB 0.780 42.851 42.059 0.021 0.000 1.112 38 L HN 0.125 nan 8.230 nan 0.000 0.465 39 S N 1.326 117.026 115.700 -0.000 0.000 2.579 39 S HA 0.067 4.539 4.470 0.003 0.000 0.275 39 S C 0.863 175.446 174.600 -0.028 0.000 1.345 39 S CA -0.562 57.631 58.200 -0.010 0.000 1.031 39 S CB 0.527 63.709 63.200 -0.031 0.000 0.892 39 S HN 0.603 nan 8.310 nan 0.000 0.529 40 D N 1.334 121.710 120.400 -0.039 0.000 2.154 40 D HA -0.173 4.469 4.640 0.003 0.000 0.190 40 D C 1.729 177.818 176.300 -0.353 0.000 1.003 40 D CA 2.063 55.935 54.000 -0.213 0.000 0.849 40 D CB -0.411 40.269 40.800 -0.199 0.000 0.942 40 D HN 0.823 nan 8.370 nan 0.000 0.446 41 E N 0.600 120.667 120.200 -0.223 0.000 2.153 41 E HA -0.154 4.198 4.350 0.003 0.000 0.194 41 E C 1.827 178.345 176.600 -0.137 0.000 0.988 41 E CA 1.071 57.360 56.400 -0.185 0.000 0.811 41 E CB -0.056 29.573 29.700 -0.118 0.000 0.746 41 E HN 0.385 nan 8.360 nan 0.000 0.466 42 E N -0.374 119.766 120.200 -0.100 0.000 2.072 42 E HA -0.127 4.225 4.350 0.003 0.000 0.191 42 E C 2.179 178.736 176.600 -0.073 0.000 0.985 42 E CA 0.877 57.233 56.400 -0.072 0.000 0.801 42 E CB -0.114 29.559 29.700 -0.045 0.000 0.750 42 E HN 0.243 nan 8.360 nan 0.000 0.452 43 L N 1.192 122.378 121.223 -0.062 0.000 1.989 43 L HA -0.276 4.066 4.340 0.003 0.000 0.211 43 L C 2.662 179.508 176.870 -0.039 0.000 1.071 43 L CA 1.539 56.372 54.840 -0.013 0.000 0.749 43 L CB -0.430 41.696 42.059 0.111 0.000 0.890 43 L HN 0.088 nan 8.230 nan 0.000 0.431 44 K N 0.107 120.417 120.400 -0.150 0.000 2.059 44 K HA -0.225 4.097 4.320 0.003 0.000 0.212 44 K C 1.885 178.459 176.600 -0.044 0.000 1.050 44 K CA 1.770 57.995 56.287 -0.102 0.000 0.927 44 K CB -0.492 31.896 32.500 -0.186 0.000 0.714 44 K HN 0.400 nan 8.250 nan 0.000 0.447 45 G N 0.945 109.699 108.800 -0.077 0.000 2.535 45 G HA2 -0.205 3.757 3.960 0.003 0.000 0.218 45 G HA3 -0.205 3.757 3.960 0.003 0.000 0.218 45 G C 1.220 176.041 174.900 -0.132 0.000 1.122 45 G CA 0.334 45.384 45.100 -0.082 0.000 0.769 45 G HN 0.216 nan 8.290 nan 0.000 0.549 46 K N 0.438 120.743 120.400 -0.158 0.000 2.147 46 K HA -0.055 4.267 4.320 0.003 0.000 0.205 46 K C 2.596 178.898 176.600 -0.496 0.000 1.049 46 K CA 1.285 57.340 56.287 -0.387 0.000 0.936 46 K CB -0.797 31.521 32.500 -0.303 0.000 0.722 46 K HN 0.262 nan 8.250 nan 0.000 0.446 47 T N 1.359 115.890 114.554 -0.038 0.000 2.708 47 T HA -0.118 4.234 4.350 0.003 0.000 0.266 47 T C 1.985 176.712 174.700 0.044 0.000 1.037 47 T CA 1.559 63.755 62.100 0.161 0.000 1.146 47 T CB -0.208 68.812 68.868 0.253 0.000 0.865 47 T HN 0.326 nan 8.240 nan 0.000 0.435 48 A N 1.292 124.102 122.820 -0.016 0.000 1.930 48 A HA -0.119 4.203 4.320 0.003 0.000 0.217 48 A C 2.218 179.773 177.584 -0.048 0.000 1.175 48 A CA 1.848 53.874 52.037 -0.018 0.000 0.627 48 A CB -0.577 18.408 19.000 -0.025 0.000 0.815 48 A HN 0.632 nan 8.150 nan 0.000 0.443 49 E N -1.099 119.015 120.200 -0.143 0.000 2.106 49 E HA -0.176 4.176 4.350 0.003 0.000 0.192 49 E C 1.608 178.160 176.600 -0.080 0.000 0.984 49 E CA 1.163 57.468 56.400 -0.159 0.000 0.806 49 E CB -0.231 29.305 29.700 -0.273 0.000 0.750 49 E HN 0.525 nan 8.360 nan 0.000 0.458 50 F N 1.267 121.240 119.950 0.038 0.000 2.134 50 F HA -0.083 4.446 4.527 0.003 0.000 0.299 50 F C 2.498 178.296 175.800 -0.004 0.000 1.097 50 F CA 1.123 59.137 58.000 0.022 0.000 1.264 50 F CB -0.744 38.276 39.000 0.033 0.000 1.001 50 F HN -0.022 nan 8.300 nan 0.000 0.479 51 R N 0.042 120.648 120.500 0.177 0.000 2.105 51 R HA -0.127 4.215 4.340 0.003 0.000 0.239 51 R C 2.410 178.742 176.300 0.053 0.000 1.135 51 R CA 1.218 57.368 56.100 0.083 0.000 0.967 51 R CB -0.791 29.539 30.300 0.050 0.000 0.861 51 R HN 0.289 nan 8.270 nan 0.000 0.442 52 A N 1.319 124.165 122.820 0.044 0.000 1.902 52 A HA -0.178 4.144 4.320 0.003 0.000 0.217 52 A C 2.103 179.709 177.584 0.036 0.000 1.181 52 A CA 1.241 53.294 52.037 0.026 0.000 0.623 52 A CB -0.328 18.678 19.000 0.011 0.000 0.818 52 A HN 0.227 nan 8.150 nan 0.000 0.443 53 R N -0.527 120.010 120.500 0.062 0.000 2.073 53 R HA -0.013 4.329 4.340 0.003 0.000 0.234 53 R C 2.089 178.416 176.300 0.046 0.000 1.134 53 R CA 1.413 57.551 56.100 0.063 0.000 0.952 53 R CB -0.591 29.773 30.300 0.107 0.000 0.850 53 R HN 0.481 nan 8.270 nan 0.000 0.433 54 L N 0.928 122.182 121.223 0.051 0.000 2.043 54 L HA -0.209 4.133 4.340 0.003 0.000 0.212 54 L C 2.440 179.315 176.870 0.007 0.000 1.075 54 L CA 1.200 56.052 54.840 0.020 0.000 0.752 54 L CB -0.403 41.664 42.059 0.013 0.000 0.891 54 L HN 0.209 nan 8.230 nan 0.000 0.432 55 E N 0.419 120.625 120.200 0.010 0.000 2.153 55 E HA -0.193 4.159 4.350 0.003 0.000 0.194 55 E C 1.848 178.449 176.600 0.002 0.000 0.988 55 E CA 1.089 57.490 56.400 0.002 0.000 0.811 55 E CB -0.033 29.669 29.700 0.004 0.000 0.746 55 E HN 0.476 nan 8.360 nan 0.000 0.466 56 K N -0.677 119.727 120.400 0.007 0.000 2.505 56 K HA 0.076 4.398 4.320 0.003 0.000 0.192 56 K C 0.906 177.508 176.600 0.004 0.000 1.025 56 K CA 0.475 56.766 56.287 0.006 0.000 1.086 56 K CB 0.505 33.011 32.500 0.010 0.000 0.840 56 K HN 0.208 nan 8.250 nan 0.000 0.514 57 G N 1.570 110.371 108.800 0.002 0.000 2.184 57 G HA2 -0.247 3.715 3.960 0.003 0.000 0.206 57 G HA3 -0.247 3.715 3.960 0.003 0.000 0.206 57 G C -0.114 174.784 174.900 -0.004 0.000 0.995 57 G CA -0.201 44.898 45.100 -0.003 0.000 0.651 57 G HN 0.337 nan 8.290 nan 0.000 0.511 58 E N 0.538 120.739 120.200 0.003 0.000 2.437 58 E HA 0.403 4.755 4.350 0.003 0.000 0.263 58 E C 0.574 177.165 176.600 -0.015 0.000 1.030 58 E CA 0.059 56.459 56.400 -0.001 0.000 0.934 58 E CB 0.827 30.536 29.700 0.015 0.000 0.943 58 E HN 0.381 nan 8.360 nan 0.000 0.444 59 V N 6.271 126.169 119.914 -0.026 0.000 2.439 59 V HA 0.058 4.180 4.120 0.003 0.000 0.282 59 V C 1.265 177.324 176.094 -0.059 0.000 1.039 59 V CA -0.324 61.953 62.300 -0.038 0.000 0.913 59 V CB 1.332 33.132 31.823 -0.037 0.000 0.983 59 V HN 0.810 nan 8.190 nan 0.000 0.460 60 L N 4.552 125.733 121.223 -0.069 0.000 2.042 60 L HA -0.129 4.213 4.340 0.003 0.000 0.210 60 L C 2.160 178.954 176.870 -0.126 0.000 1.076 60 L CA 2.029 56.809 54.840 -0.099 0.000 0.749 60 L CB -0.353 41.648 42.059 -0.097 0.000 0.893 60 L HN 0.755 nan 8.230 nan 0.000 0.432 61 E N -0.125 120.007 120.200 -0.113 0.000 2.204 61 E HA -0.152 4.200 4.350 0.003 0.000 0.195 61 E C 1.900 178.415 176.600 -0.141 0.000 0.990 61 E CA 0.812 57.132 56.400 -0.133 0.000 0.821 61 E CB -0.525 29.111 29.700 -0.107 0.000 0.750 61 E HN 0.500 nan 8.360 nan 0.000 0.477 62 N N -0.040 118.594 118.700 -0.109 0.000 2.443 62 N HA -0.079 4.663 4.740 0.003 0.000 0.184 62 N C 1.164 176.602 175.510 -0.119 0.000 1.037 62 N CA 0.612 53.605 53.050 -0.094 0.000 0.896 62 N CB 0.036 38.489 38.487 -0.057 0.000 0.959 62 N HN 0.267 nan 8.380 nan 0.000 0.442 63 L N -0.241 120.877 121.223 -0.175 0.000 2.558 63 L HA 0.157 4.499 4.340 0.003 0.000 0.225 63 L C 1.797 178.476 176.870 -0.318 0.000 1.128 63 L CA 0.018 54.696 54.840 -0.271 0.000 0.868 63 L CB -0.045 41.769 42.059 -0.408 0.000 1.006 63 L HN 0.043 nan 8.230 nan 0.000 0.454 64 I N 0.824 121.202 120.570 -0.320 0.000 2.163 64 I HA -0.206 3.966 4.170 0.003 0.000 0.243 64 I C -0.269 175.566 176.117 -0.468 0.000 1.085 64 I CA 1.669 62.663 61.300 -0.510 0.000 1.347 64 I CB -0.981 36.652 38.000 -0.611 0.000 1.044 64 I HN 0.217 nan 8.210 nan 0.000 0.408 65 P HA -0.175 nan 4.420 nan 0.000 0.214 65 P C 1.426 178.712 177.300 -0.022 0.000 1.162 65 P CA 1.430 64.444 63.100 -0.144 0.000 0.879 65 P CB -0.026 31.621 31.700 -0.088 0.000 0.786 66 E N -0.641 119.563 120.200 0.006 0.000 2.077 66 E HA -0.173 4.179 4.350 0.003 0.000 0.193 66 E C 2.049 178.772 176.600 0.205 0.000 0.989 66 E CA 1.227 57.717 56.400 0.149 0.000 0.800 66 E CB -0.475 29.396 29.700 0.286 0.000 0.746 66 E HN 0.090 nan 8.360 nan 0.000 0.452 67 A N 0.933 123.750 122.820 -0.005 0.000 1.877 67 A HA -0.184 4.138 4.320 0.003 0.000 0.216 67 A C 1.890 179.657 177.584 0.305 0.000 1.186 67 A CA 1.217 53.324 52.037 0.117 0.000 0.620 67 A CB -0.732 18.246 19.000 -0.037 0.000 0.822 67 A HN 0.178 nan 8.150 nan 0.000 0.443 68 F N 0.240 120.165 119.950 -0.042 0.000 2.134 68 F HA -0.114 4.415 4.527 0.003 0.000 0.299 68 F C 2.867 178.603 175.800 -0.106 0.000 1.097 68 F CA 0.391 58.335 58.000 -0.092 0.000 1.264 68 F CB -1.209 37.742 39.000 -0.081 0.000 1.001 68 F HN 0.282 nan 8.300 nan 0.000 0.479 69 A N -0.238 122.678 122.820 0.160 0.000 1.908 69 A HA -0.132 4.190 4.320 0.003 0.000 0.218 69 A C 2.494 180.106 177.584 0.047 0.000 1.181 69 A CA 1.951 54.039 52.037 0.084 0.000 0.627 69 A CB -1.200 17.857 19.000 0.096 0.000 0.818 69 A HN 0.183 nan 8.150 nan 0.000 0.445 70 V N -0.557 119.405 119.914 0.081 0.000 2.307 70 V HA -0.201 3.921 4.120 0.003 0.000 0.245 70 V C 2.584 178.622 176.094 -0.093 0.000 1.045 70 V CA 1.940 64.269 62.300 0.049 0.000 1.024 70 V CB -0.564 31.356 31.823 0.162 0.000 0.651 70 V HN 0.375 nan 8.190 nan 0.000 0.449 71 V N 0.179 119.966 119.914 -0.213 0.000 2.358 71 V HA -0.243 3.879 4.120 0.003 0.000 0.246 71 V C 2.546 178.502 176.094 -0.229 0.000 1.047 71 V CA 2.320 64.435 62.300 -0.309 0.000 1.035 71 V CB -0.822 30.771 31.823 -0.383 0.000 0.658 71 V HN 0.519 nan 8.190 nan 0.000 0.452 72 R N 0.241 120.601 120.500 -0.233 0.000 2.096 72 R HA -0.228 4.114 4.340 0.003 0.000 0.235 72 R C 2.253 178.533 176.300 -0.033 0.000 1.127 72 R CA 1.984 58.031 56.100 -0.088 0.000 0.968 72 R CB -0.119 30.136 30.300 -0.076 0.000 0.861 72 R HN 0.550 nan 8.270 nan 0.000 0.440 73 E N 0.350 120.517 120.200 -0.056 0.000 2.107 73 E HA -0.057 4.295 4.350 0.003 0.000 0.191 73 E C 1.657 178.172 176.600 -0.142 0.000 0.982 73 E CA 1.484 57.852 56.400 -0.054 0.000 0.809 73 E CB -0.111 29.588 29.700 -0.002 0.000 0.756 73 E HN 0.423 nan 8.360 nan 0.000 0.459 74 A N -0.106 122.594 122.820 -0.199 0.000 1.930 74 A HA -0.129 4.193 4.320 0.003 0.000 0.217 74 A C 2.411 179.624 177.584 -0.618 0.000 1.175 74 A CA 1.736 53.481 52.037 -0.487 0.000 0.627 74 A CB -0.927 17.851 19.000 -0.370 0.000 0.815 74 A HN 0.313 nan 8.150 nan 0.000 0.443 75 S N -0.552 114.908 115.700 -0.399 0.000 2.382 75 S HA -0.174 4.298 4.470 0.003 0.000 0.228 75 S C 2.016 176.449 174.600 -0.279 0.000 1.027 75 S CA 1.747 59.708 58.200 -0.399 0.000 0.991 75 S CB -0.307 62.846 63.200 -0.077 0.000 0.823 75 S HN 0.594 nan 8.310 nan 0.000 0.469 76 K N 0.407 120.692 120.400 -0.193 0.000 2.020 76 K HA -0.120 4.202 4.320 0.003 0.000 0.212 76 K C 2.501 178.993 176.600 -0.180 0.000 1.050 76 K CA 1.752 57.952 56.287 -0.144 0.000 0.929 76 K CB -0.201 32.242 32.500 -0.094 0.000 0.714 76 K HN 0.335 nan 8.250 nan 0.000 0.443 77 R N 0.059 120.394 120.500 -0.275 0.000 2.090 77 R HA -0.035 4.307 4.340 0.003 0.000 0.228 77 R C 2.310 178.422 176.300 -0.312 0.000 1.110 77 R CA 0.924 56.868 56.100 -0.260 0.000 0.973 77 R CB -0.082 30.048 30.300 -0.284 0.000 0.869 77 R HN 0.021 nan 8.270 nan 0.000 0.440 78 V N -0.184 119.422 119.914 -0.514 0.000 2.426 78 V HA -0.085 4.037 4.120 0.003 0.000 0.242 78 V C 1.462 177.428 176.094 -0.214 0.000 1.036 78 V CA 1.443 63.451 62.300 -0.486 0.000 1.044 78 V CB -0.212 31.101 31.823 -0.851 0.000 0.688 78 V HN 0.128 nan 8.190 nan 0.000 0.462 79 F N 0.450 120.268 119.950 -0.219 0.000 2.717 79 F HA 0.466 4.995 4.527 0.004 0.000 0.295 79 F C 1.932 177.637 175.800 -0.158 0.000 1.117 79 F CA 0.096 57.986 58.000 -0.183 0.000 1.361 79 F CB -0.769 38.105 39.000 -0.210 0.000 1.112 79 F HN 0.285 nan 8.300 nan 0.000 0.594 80 G N 1.297 110.100 108.800 0.005 0.000 2.176 80 G HA2 -0.322 3.640 3.960 0.003 0.000 0.252 80 G HA3 -0.322 3.640 3.960 0.003 0.000 0.252 80 G C 0.013 174.886 174.900 -0.045 0.000 1.024 80 G CA 0.191 45.273 45.100 -0.030 0.000 0.755 80 G HN 0.280 nan 8.290 nan 0.000 0.507 81 M N -0.579 118.989 119.600 -0.052 0.000 2.259 81 M HA 0.420 4.902 4.480 0.003 0.000 0.304 81 M C 0.150 176.343 176.300 -0.178 0.000 1.019 81 M CA -0.675 54.543 55.300 -0.137 0.000 0.922 81 M CB 2.240 34.749 32.600 -0.151 0.000 1.600 81 M HN 0.166 nan 8.290 nan 0.000 0.433 82 R N 2.201 122.573 120.500 -0.213 0.000 2.229 82 R HA 0.367 4.709 4.340 0.003 0.000 0.332 82 R C -0.979 175.160 176.300 -0.267 0.000 0.989 82 R CA -0.657 55.351 56.100 -0.153 0.000 0.842 82 R CB 0.561 30.807 30.300 -0.090 0.000 1.119 82 R HN 0.657 nan 8.270 nan 0.000 0.456 83 H N 3.572 122.508 119.070 -0.224 0.000 3.094 83 H HA -0.039 4.519 4.556 0.003 0.000 0.320 83 H C -0.157 175.074 175.328 -0.161 0.000 1.000 83 H CA 0.771 56.684 56.048 -0.225 0.000 1.413 83 H CB 0.027 29.717 29.762 -0.120 0.000 1.405 83 H HN 0.305 nan 8.280 nan 0.000 0.586 84 F N 1.297 121.306 119.950 0.099 0.000 2.440 84 F HA -0.021 4.509 4.527 0.004 0.000 0.323 84 F C 1.732 177.584 175.800 0.087 0.000 1.192 84 F CA -0.313 57.732 58.000 0.074 0.000 1.252 84 F CB 0.397 39.425 39.000 0.046 0.000 1.214 84 F HN 0.551 nan 8.300 nan 0.000 0.578 85 D N 0.396 120.972 120.400 0.292 0.000 2.149 85 D HA -0.140 4.502 4.640 0.003 0.000 0.198 85 D C 2.318 178.718 176.300 0.166 0.000 0.990 85 D CA 1.582 55.693 54.000 0.185 0.000 0.839 85 D CB -0.392 40.485 40.800 0.129 0.000 0.948 85 D HN 0.335 nan 8.370 nan 0.000 0.460 86 V N -1.333 118.680 119.914 0.166 0.000 2.759 86 V HA -0.186 3.937 4.120 0.003 0.000 0.256 86 V C 1.887 178.068 176.094 0.145 0.000 1.080 86 V CA 1.295 63.672 62.300 0.127 0.000 1.101 86 V CB -0.674 31.198 31.823 0.082 0.000 0.698 86 V HN 0.099 nan 8.190 nan 0.000 0.477 87 Q N 0.125 120.040 119.800 0.191 0.000 2.137 87 Q HA 0.075 4.417 4.340 0.003 0.000 0.198 87 Q C 2.335 178.415 176.000 0.132 0.000 0.960 87 Q CA 1.627 57.529 55.803 0.167 0.000 0.847 87 Q CB -0.195 28.658 28.738 0.192 0.000 0.915 87 Q HN 0.625 nan 8.270 nan 0.000 0.448 88 L N 0.492 121.806 121.223 0.151 0.000 2.012 88 L HA -0.239 4.103 4.340 0.003 0.000 0.210 88 L C 2.364 179.385 176.870 0.252 0.000 1.073 88 L CA 1.173 56.131 54.840 0.198 0.000 0.748 88 L CB -0.661 41.538 42.059 0.234 0.000 0.891 88 L HN 0.264 nan 8.230 nan 0.000 0.431 89 L N -0.250 121.077 121.223 0.173 0.000 2.012 89 L HA -0.175 4.167 4.340 0.003 0.000 0.210 89 L C 2.737 179.684 176.870 0.129 0.000 1.073 89 L CA 1.608 56.530 54.840 0.137 0.000 0.748 89 L CB -1.353 40.762 42.059 0.092 0.000 0.891 89 L HN 0.341 nan 8.230 nan 0.000 0.431 90 G N -0.330 108.535 108.800 0.108 0.000 2.442 90 G HA2 -0.200 3.762 3.960 0.003 0.000 0.219 90 G HA3 -0.200 3.762 3.960 0.003 0.000 0.219 90 G C 1.597 176.559 174.900 0.102 0.000 1.141 90 G CA 0.766 45.916 45.100 0.083 0.000 0.763 90 G HN 0.502 nan 8.290 nan 0.000 0.554 91 G N 0.802 109.674 108.800 0.120 0.000 2.442 91 G HA2 -0.224 3.738 3.960 0.003 0.000 0.219 91 G HA3 -0.224 3.738 3.960 0.003 0.000 0.219 91 G C 1.883 177.000 174.900 0.362 0.000 1.141 91 G CA 1.070 46.250 45.100 0.133 0.000 0.763 91 G HN 0.453 nan 8.290 nan 0.000 0.554 92 M N -0.029 119.819 119.600 0.413 0.000 2.254 92 M HA 0.007 4.489 4.480 0.003 0.000 0.265 92 M C 2.629 178.990 176.300 0.102 0.000 1.066 92 M CA 0.568 55.998 55.300 0.216 0.000 1.123 92 M CB -0.170 32.483 32.600 0.088 0.000 1.388 92 M HN 0.087 nan 8.290 nan 0.000 0.425 93 V N 1.021 120.989 119.914 0.089 0.000 2.332 93 V HA -0.252 3.870 4.120 0.003 0.000 0.248 93 V C 2.191 178.309 176.094 0.040 0.000 1.055 93 V CA 1.633 63.958 62.300 0.042 0.000 1.038 93 V CB -0.664 31.175 31.823 0.027 0.000 0.651 93 V HN 0.486 nan 8.190 nan 0.000 0.450 94 L N 0.404 121.669 121.223 0.070 0.000 2.456 94 L HA -0.086 4.256 4.340 0.003 0.000 0.224 94 L C 2.145 179.085 176.870 0.116 0.000 1.148 94 L CA 1.051 55.942 54.840 0.085 0.000 0.825 94 L CB -0.639 41.478 42.059 0.097 0.000 0.937 94 L HN 0.403 nan 8.230 nan 0.000 0.450 95 N N -0.586 118.153 118.700 0.065 0.000 2.446 95 N HA -0.065 4.677 4.740 0.003 0.000 0.179 95 N C 0.660 176.142 175.510 -0.047 0.000 1.054 95 N CA 0.535 53.567 53.050 -0.030 0.000 0.905 95 N CB 0.422 38.889 38.487 -0.032 0.000 0.973 95 N HN 0.193 nan 8.380 nan 0.000 0.448 96 E N -0.037 120.159 120.200 -0.007 0.000 2.254 96 E HA 0.140 4.492 4.350 0.003 0.000 0.258 96 E C -0.420 176.184 176.600 0.006 0.000 1.033 96 E CA -0.645 55.748 56.400 -0.010 0.000 0.893 96 E CB 0.788 30.482 29.700 -0.010 0.000 1.204 96 E HN 0.057 nan 8.360 nan 0.000 0.425 97 R N 0.793 121.296 120.500 0.003 0.000 3.247 97 R HA 0.182 4.524 4.340 0.003 0.000 0.212 97 R C -1.114 175.176 176.300 -0.017 0.000 1.604 97 R CA 0.109 56.211 56.100 0.004 0.000 1.279 97 R CB -0.843 29.469 30.300 0.020 0.000 1.277 97 R HN 0.300 nan 8.270 nan 0.000 0.669 98 C N 2.955 122.228 119.300 -0.046 0.000 3.086 98 C HA 0.482 4.944 4.460 0.003 0.000 0.311 98 C C -0.703 174.200 174.990 -0.144 0.000 1.260 98 C CA -1.147 57.826 59.018 -0.075 0.000 1.426 98 C CB 1.760 29.474 27.740 -0.044 0.000 1.826 98 C HN 0.487 nan 8.230 nan 0.000 0.474 99 I N 2.531 122.977 120.570 -0.207 0.000 2.331 99 I HA 0.436 4.608 4.170 0.003 0.000 0.292 99 I C 0.615 176.627 176.117 -0.175 0.000 0.998 99 I CA -0.036 61.084 61.300 -0.299 0.000 1.267 99 I CB 0.866 38.541 38.000 -0.541 0.000 1.386 99 I HN 0.834 nan 8.210 nan 0.000 0.476 100 A N 6.198 128.936 122.820 -0.137 0.000 2.294 100 A HA 0.316 4.638 4.320 0.003 0.000 0.316 100 A C 0.281 177.821 177.584 -0.074 0.000 1.359 100 A CA -0.551 51.444 52.037 -0.071 0.000 0.956 100 A CB 0.003 18.983 19.000 -0.032 0.000 1.155 100 A HN 0.751 nan 8.150 nan 0.000 0.544 101 E N 3.373 123.539 120.200 -0.056 0.000 2.105 101 E HA 0.470 4.822 4.350 0.003 0.000 0.285 101 E C -0.858 175.736 176.600 -0.011 0.000 1.055 101 E CA -0.032 56.346 56.400 -0.038 0.000 0.843 101 E CB 0.370 30.057 29.700 -0.021 0.000 1.067 101 E HN 0.676 nan 8.360 nan 0.000 0.398 102 M N 4.308 123.904 119.600 -0.008 0.000 2.151 102 M HA 0.339 4.821 4.480 0.003 0.000 0.290 102 M C -0.283 176.024 176.300 0.010 0.000 0.965 102 M CA -0.951 54.354 55.300 0.008 0.000 0.930 102 M CB 1.845 34.453 32.600 0.014 0.000 1.560 102 M HN 0.293 nan 8.290 nan 0.000 0.438 103 R N 1.582 122.092 120.500 0.017 0.000 2.638 103 R HA 0.113 4.455 4.340 0.003 0.000 0.268 103 R C -0.505 175.808 176.300 0.021 0.000 1.006 103 R CA 0.622 56.733 56.100 0.019 0.000 1.088 103 R CB 0.405 30.718 30.300 0.021 0.000 0.950 103 R HN 0.677 nan 8.270 nan 0.000 0.419 104 T N 2.106 116.672 114.554 0.020 0.000 2.946 104 T HA 0.189 4.541 4.350 0.003 0.000 0.312 104 T C 1.178 175.895 174.700 0.027 0.000 1.066 104 T CA 1.300 63.413 62.100 0.021 0.000 1.138 104 T CB 0.408 69.288 68.868 0.020 0.000 1.014 104 T HN 0.700 nan 8.240 nan 0.000 0.544 105 G N 2.603 111.420 108.800 0.029 0.000 2.175 105 G HA2 -0.218 3.744 3.960 0.003 0.000 0.244 105 G HA3 -0.218 3.744 3.960 0.003 0.000 0.244 105 G C 0.692 175.623 174.900 0.053 0.000 0.982 105 G CA -0.019 45.105 45.100 0.039 0.000 0.641 105 G HN 0.663 nan 8.290 nan 0.000 0.527 106 E N 0.546 120.776 120.200 0.049 0.000 2.489 106 E HA 0.311 4.663 4.350 0.003 0.000 0.193 106 E C 1.693 178.348 176.600 0.092 0.000 1.057 106 E CA 0.852 57.296 56.400 0.074 0.000 0.866 106 E CB -0.302 29.433 29.700 0.057 0.000 0.916 106 E HN 1.638 nan 8.360 nan 0.000 0.500 107 G N 2.461 111.294 108.800 0.056 0.000 2.289 107 G HA2 -0.348 3.614 3.960 0.003 0.000 0.280 107 G HA3 -0.348 3.614 3.960 0.003 0.000 0.280 107 G C 0.839 175.743 174.900 0.008 0.000 1.089 107 G CA 0.607 45.719 45.100 0.020 0.000 0.939 107 G HN 0.265 nan 8.290 nan 0.000 0.499 108 K N -0.849 119.557 120.400 0.010 0.000 2.089 108 K HA -0.172 4.150 4.320 0.003 0.000 0.210 108 K C 2.646 179.250 176.600 0.007 0.000 1.048 108 K CA 2.119 58.411 56.287 0.008 0.000 0.926 108 K CB -0.250 32.250 32.500 0.000 0.000 0.714 108 K HN 0.463 nan 8.250 nan 0.000 0.448 109 T N 1.723 116.271 114.554 -0.010 0.000 2.777 109 T HA -0.122 4.230 4.350 0.003 0.000 0.266 109 T C 1.750 176.447 174.700 -0.006 0.000 1.040 109 T CA 0.926 63.021 62.100 -0.007 0.000 1.141 109 T CB -0.193 68.648 68.868 -0.045 0.000 0.868 109 T HN 0.073 nan 8.240 nan 0.000 0.444 110 L N 1.119 122.306 121.223 -0.060 0.000 2.083 110 L HA -0.070 4.272 4.340 0.003 0.000 0.209 110 L C 2.511 179.393 176.870 0.021 0.000 1.083 110 L CA 1.693 56.480 54.840 -0.088 0.000 0.752 110 L CB -1.073 40.826 42.059 -0.266 0.000 0.899 110 L HN 0.196 nan 8.230 nan 0.000 0.433 111 T N -0.414 114.166 114.554 0.043 0.000 2.788 111 T HA -0.162 4.190 4.350 0.003 0.000 0.268 111 T C 1.805 176.551 174.700 0.078 0.000 1.044 111 T CA 1.252 63.406 62.100 0.090 0.000 1.139 111 T CB -0.429 68.475 68.868 0.061 0.000 0.867 111 T HN 0.506 nan 8.240 nan 0.000 0.454 112 A N 1.604 124.477 122.820 0.088 0.000 2.172 112 A HA -0.056 4.266 4.320 0.003 0.000 0.216 112 A C 2.503 180.200 177.584 0.189 0.000 1.154 112 A CA 1.758 53.861 52.037 0.111 0.000 0.701 112 A CB -0.967 18.096 19.000 0.106 0.000 0.789 112 A HN 0.642 nan 8.150 nan 0.000 0.465 113 T N -1.673 113.021 114.554 0.234 0.000 2.915 113 T HA -0.027 4.325 4.350 0.003 0.000 0.269 113 T C 1.750 176.621 174.700 0.285 0.000 1.071 113 T CA 1.215 63.549 62.100 0.390 0.000 1.132 113 T CB -0.490 68.544 68.868 0.276 0.000 0.878 113 T HN 0.328 nan 8.240 nan 0.000 0.479 114 L N 1.558 122.791 121.223 0.016 0.000 1.988 114 L HA 0.051 4.393 4.340 0.003 0.000 0.207 114 L C 0.087 176.926 176.870 -0.052 0.000 1.071 114 L CA 1.209 55.877 54.840 -0.286 0.000 0.744 114 L CB -1.611 39.865 42.059 -0.973 0.000 0.893 114 L HN 0.207 nan 8.230 nan 0.000 0.433 115 P HA -0.145 nan 4.420 nan 0.000 0.221 115 P C 1.353 178.755 177.300 0.171 0.000 1.150 115 P CA 1.779 64.975 63.100 0.160 0.000 0.800 115 P CB 0.096 31.913 31.700 0.195 0.000 0.787 116 A N -0.120 122.829 122.820 0.215 0.000 1.858 116 A HA -0.235 4.087 4.320 0.003 0.000 0.216 116 A C 2.389 180.012 177.584 0.065 0.000 1.190 116 A CA 1.589 53.723 52.037 0.162 0.000 0.617 116 A CB -2.029 17.050 19.000 0.132 0.000 0.827 116 A HN 0.119 nan 8.150 nan 0.000 0.443 117 Y N 0.013 120.348 120.300 0.058 0.000 2.069 117 Y HA -0.252 4.300 4.550 0.004 0.000 0.278 117 Y C 2.126 178.054 175.900 0.047 0.000 1.175 117 Y CA 2.265 60.408 58.100 0.071 0.000 1.134 117 Y CB -0.490 38.111 38.460 0.234 0.000 0.965 117 Y HN 0.260 nan 8.280 nan 0.000 0.498 118 L N 0.934 122.221 121.223 0.108 0.000 2.046 118 L HA -0.219 4.123 4.340 0.003 0.000 0.208 118 L C 1.813 178.596 176.870 -0.144 0.000 1.077 118 L CA 2.063 56.886 54.840 -0.028 0.000 0.747 118 L CB -0.822 41.314 42.059 0.129 0.000 0.896 118 L HN 0.270 nan 8.230 nan 0.000 0.432 119 N N -0.448 118.168 118.700 -0.140 0.000 2.521 119 N HA 0.007 4.749 4.740 0.003 0.000 0.188 119 N C 1.465 176.968 175.510 -0.011 0.000 1.146 119 N CA 0.839 53.786 53.050 -0.171 0.000 0.893 119 N CB 0.168 38.302 38.487 -0.588 0.000 0.975 119 N HN 0.501 nan 8.380 nan 0.000 0.451 120 A N 0.440 123.207 122.820 -0.088 0.000 2.081 120 A HA 0.121 4.443 4.320 0.003 0.000 0.214 120 A C 2.206 179.711 177.584 -0.132 0.000 1.158 120 A CA 0.069 52.047 52.037 -0.098 0.000 0.724 120 A CB -0.165 18.739 19.000 -0.160 0.000 0.826 120 A HN 0.131 nan 8.150 nan 0.000 0.463 121 L N 0.237 121.348 121.223 -0.186 0.000 2.083 121 L HA -0.156 4.186 4.340 0.003 0.000 0.209 121 L C 2.743 179.560 176.870 -0.088 0.000 1.083 121 L CA 1.796 56.542 54.840 -0.156 0.000 0.752 121 L CB -0.881 41.078 42.059 -0.166 0.000 0.899 121 L HN 0.596 nan 8.230 nan 0.000 0.433 122 T N -3.039 111.458 114.554 -0.094 0.000 3.163 122 T HA 0.112 4.464 4.350 0.003 0.000 0.260 122 T C 1.397 176.031 174.700 -0.110 0.000 1.156 122 T CA 0.450 62.489 62.100 -0.103 0.000 1.072 122 T CB -0.103 68.684 68.868 -0.135 0.000 0.937 122 T HN 0.522 nan 8.240 nan 0.000 0.528 123 G N 1.613 110.356 108.800 -0.094 0.000 2.160 123 G HA2 -0.222 3.740 3.960 0.003 0.000 0.244 123 G HA3 -0.222 3.740 3.960 0.003 0.000 0.244 123 G C 0.669 175.514 174.900 -0.091 0.000 1.022 123 G CA 0.229 45.288 45.100 -0.067 0.000 0.741 123 G HN 0.491 nan 8.290 nan 0.000 0.508 124 K N -0.013 120.285 120.400 -0.170 0.000 2.374 124 K HA 0.451 4.773 4.320 0.003 0.000 0.202 124 K C 1.249 177.831 176.600 -0.031 0.000 1.040 124 K CA 0.678 56.832 56.287 -0.222 0.000 1.085 124 K CB 0.812 32.929 32.500 -0.637 0.000 0.873 124 K HN 1.772 nan 8.250 nan 0.000 0.539 125 G N 0.746 109.590 108.800 0.073 0.000 2.675 125 G HA2 -0.155 3.808 3.960 0.003 0.000 0.686 125 G HA3 -0.155 3.808 3.960 0.003 0.000 0.686 125 G C -1.096 173.934 174.900 0.216 0.000 1.215 125 G CA -0.829 44.361 45.100 0.151 0.000 0.777 125 G HN -0.070 nan 8.290 nan 0.000 0.638 126 V N 2.033 122.030 119.914 0.139 0.000 2.577 126 V HA 0.538 4.660 4.120 0.003 0.000 0.303 126 V C -0.167 175.985 176.094 0.098 0.000 1.042 126 V CA -0.823 61.533 62.300 0.093 0.000 0.872 126 V CB 2.027 33.902 31.823 0.087 0.000 0.998 126 V HN 0.852 nan 8.190 nan 0.000 0.423 127 H N 2.971 121.956 119.070 -0.142 0.000 2.661 127 H HA 0.471 5.029 4.556 0.003 0.000 0.290 127 H C -0.564 174.550 175.328 -0.357 0.000 1.082 127 H CA -0.821 55.056 56.048 -0.284 0.000 1.234 127 H CB 1.674 31.078 29.762 -0.596 0.000 1.387 127 H HN 0.445 nan 8.280 nan 0.000 0.476 128 V N 5.149 124.972 119.914 -0.151 0.000 2.455 128 V HA 0.038 4.160 4.120 0.003 0.000 0.273 128 V C 0.271 176.420 176.094 0.092 0.000 1.045 128 V CA -0.457 61.739 62.300 -0.172 0.000 0.976 128 V CB 1.003 32.580 31.823 -0.409 0.000 0.993 128 V HN 0.446 nan 8.190 nan 0.000 0.475 129 V N 5.168 125.116 119.914 0.055 0.000 2.370 129 V HA 0.532 4.654 4.120 0.003 0.000 0.283 129 V C 0.462 176.603 176.094 0.078 0.000 1.023 129 V CA -0.329 62.079 62.300 0.180 0.000 0.857 129 V CB 1.517 33.379 31.823 0.065 0.000 0.985 129 V HN 1.024 nan 8.190 nan 0.000 0.443 130 T N 0.804 115.428 114.554 0.117 0.000 2.950 130 T HA 0.507 4.859 4.350 0.003 0.000 0.288 130 T C 0.990 175.715 174.700 0.041 0.000 1.035 130 T CA -0.056 62.085 62.100 0.068 0.000 1.028 130 T CB 1.839 70.759 68.868 0.086 0.000 1.109 130 T HN 0.518 nan 8.240 nan 0.000 0.514 131 V N -0.838 119.090 119.914 0.023 0.000 2.951 131 V HA 0.224 4.346 4.120 0.003 0.000 0.255 131 V C 0.410 176.523 176.094 0.032 0.000 1.088 131 V CA 0.967 63.275 62.300 0.013 0.000 1.109 131 V CB -1.924 29.901 31.823 0.003 0.000 0.724 131 V HN 1.081 nan 8.190 nan 0.000 0.471 132 N N -2.163 116.566 118.700 0.049 0.000 3.277 132 N HA 0.280 5.022 4.740 0.003 0.000 0.278 132 N C -0.210 175.335 175.510 0.060 0.000 1.544 132 N CA -0.160 52.927 53.050 0.062 0.000 0.869 132 N CB 0.366 38.901 38.487 0.080 0.000 1.584 132 N HN -0.165 nan 8.380 nan 0.000 0.564 133 D N -1.372 119.069 120.400 0.068 0.000 2.213 133 D HA -0.042 4.600 4.640 0.003 0.000 0.205 133 D C 1.140 177.470 176.300 0.050 0.000 0.961 133 D CA 0.853 54.880 54.000 0.045 0.000 0.853 133 D CB -0.290 40.539 40.800 0.048 0.000 0.967 133 D HN 0.518 nan 8.370 nan 0.000 0.496 134 Y N 1.945 122.243 120.300 -0.004 0.000 2.097 134 Y HA -0.207 4.345 4.550 0.004 0.000 0.282 134 Y C 2.101 177.989 175.900 -0.019 0.000 1.152 134 Y CA 1.476 59.569 58.100 -0.012 0.000 1.136 134 Y CB -0.588 37.864 38.460 -0.012 0.000 0.975 134 Y HN -0.108 nan 8.280 nan 0.000 0.498 135 L N -0.256 120.872 121.223 -0.160 0.000 2.083 135 L HA -0.235 4.107 4.340 0.003 0.000 0.209 135 L C 2.811 179.581 176.870 -0.166 0.000 1.083 135 L CA 1.117 55.838 54.840 -0.198 0.000 0.752 135 L CB -1.120 40.927 42.059 -0.020 0.000 0.899 135 L HN 0.371 nan 8.230 nan 0.000 0.433 136 A N -0.267 122.510 122.820 -0.073 0.000 1.865 136 A HA -0.280 4.042 4.320 0.003 0.000 0.217 136 A C 2.242 179.754 177.584 -0.120 0.000 1.191 136 A CA 1.847 53.872 52.037 -0.021 0.000 0.623 136 A CB -0.572 18.438 19.000 0.015 0.000 0.826 136 A HN 0.474 nan 8.150 nan 0.000 0.444 137 Q N -1.362 118.344 119.800 -0.157 0.000 2.079 137 Q HA -0.152 4.190 4.340 0.003 0.000 0.200 137 Q C 2.453 178.304 176.000 -0.248 0.000 0.974 137 Q CA 1.384 57.088 55.803 -0.165 0.000 0.840 137 Q CB -0.182 28.479 28.738 -0.129 0.000 0.898 137 Q HN 0.666 nan 8.270 nan 0.000 0.430 138 R N 0.719 120.993 120.500 -0.377 0.000 2.066 138 R HA -0.162 4.180 4.340 0.003 0.000 0.232 138 R C 1.402 177.503 176.300 -0.331 0.000 1.131 138 R CA 1.792 57.648 56.100 -0.407 0.000 0.955 138 R CB 0.012 29.933 30.300 -0.633 0.000 0.851 138 R HN 0.213 nan 8.270 nan 0.000 0.432 139 D N 0.497 120.684 120.400 -0.355 0.000 2.104 139 D HA -0.162 4.480 4.640 0.003 0.000 0.194 139 D C 1.779 177.675 176.300 -0.674 0.000 0.994 139 D CA 1.630 55.372 54.000 -0.430 0.000 0.830 139 D CB -0.461 40.135 40.800 -0.341 0.000 0.959 139 D HN 0.369 nan 8.370 nan 0.000 0.452 140 A N 1.350 123.695 122.820 -0.792 0.000 1.859 140 A HA -0.240 4.082 4.320 0.003 0.000 0.217 140 A C 2.107 179.551 177.584 -0.233 0.000 1.198 140 A CA 1.754 53.442 52.037 -0.582 0.000 0.629 140 A CB -0.491 18.373 19.000 -0.227 0.000 0.830 140 A HN 0.051 nan 8.150 nan 0.000 0.446 141 E N 0.222 120.314 120.200 -0.181 0.000 2.072 141 E HA -0.136 4.216 4.350 0.003 0.000 0.191 141 E C 1.875 178.426 176.600 -0.081 0.000 0.985 141 E CA 1.172 57.515 56.400 -0.095 0.000 0.801 141 E CB -0.539 29.105 29.700 -0.095 0.000 0.750 141 E HN 0.602 nan 8.360 nan 0.000 0.452 142 N N 1.271 119.886 118.700 -0.141 0.000 2.166 142 N HA -0.106 4.636 4.740 0.003 0.000 0.186 142 N C 1.323 176.828 175.510 -0.009 0.000 1.019 142 N CA 0.819 53.789 53.050 -0.133 0.000 0.856 142 N CB -0.340 37.995 38.487 -0.253 0.000 0.993 142 N HN 0.149 nan 8.380 nan 0.000 0.426 143 N N 0.535 119.222 118.700 -0.021 0.000 2.446 143 N HA -0.027 4.715 4.740 0.003 0.000 0.179 143 N C 1.575 177.130 175.510 0.074 0.000 1.054 143 N CA 0.094 53.179 53.050 0.059 0.000 0.905 143 N CB -0.038 38.508 38.487 0.099 0.000 0.973 143 N HN 0.339 nan 8.380 nan 0.000 0.448 144 R N 1.336 121.906 120.500 0.117 0.000 2.091 144 R HA -0.080 4.262 4.340 0.003 0.000 0.238 144 R C -0.977 175.400 176.300 0.128 0.000 1.136 144 R CA 1.376 57.577 56.100 0.168 0.000 0.959 144 R CB -0.782 29.588 30.300 0.117 0.000 0.856 144 R HN 0.165 nan 8.270 nan 0.000 0.437 145 P HA -0.111 nan 4.420 nan 0.000 0.223 145 P C 1.270 178.542 177.300 -0.046 0.000 1.151 145 P CA 0.735 63.863 63.100 0.048 0.000 0.787 145 P CB -0.067 31.662 31.700 0.048 0.000 0.788 146 L N -1.074 120.014 121.223 -0.225 0.000 2.007 146 L HA 0.002 4.344 4.340 0.003 0.000 0.205 146 L C 2.181 178.941 176.870 -0.185 0.000 1.073 146 L CA 1.891 56.446 54.840 -0.476 0.000 0.744 146 L CB -1.419 40.133 42.059 -0.845 0.000 0.898 146 L HN -0.246 nan 8.230 nan 0.000 0.435 147 F N 0.563 120.575 119.950 0.102 0.000 2.269 147 F HA -0.132 4.397 4.527 0.004 0.000 0.301 147 F C 2.472 178.379 175.800 0.179 0.000 1.082 147 F CA 1.288 59.395 58.000 0.178 0.000 1.360 147 F CB -0.942 38.186 39.000 0.213 0.000 1.041 147 F HN 0.258 nan 8.300 nan 0.000 0.512 148 E N -0.665 119.712 120.200 0.295 0.000 2.107 148 E HA -0.208 4.144 4.350 0.003 0.000 0.191 148 E C 2.060 178.783 176.600 0.205 0.000 0.982 148 E CA 0.910 57.441 56.400 0.219 0.000 0.809 148 E CB -0.463 29.332 29.700 0.158 0.000 0.756 148 E HN 0.416 nan 8.360 nan 0.000 0.459 149 F N 0.997 120.969 119.950 0.037 0.000 2.202 149 F HA -0.154 4.376 4.527 0.004 0.000 0.301 149 F C 1.535 177.356 175.800 0.035 0.000 1.082 149 F CA 1.095 59.094 58.000 -0.001 0.000 1.313 149 F CB 0.218 39.171 39.000 -0.078 0.000 1.024 149 F HN -0.074 nan 8.300 nan 0.000 0.495 150 L N -0.075 121.348 121.223 0.334 0.000 2.685 150 L HA 0.291 4.633 4.340 0.003 0.000 0.233 150 L C 1.299 178.330 176.870 0.268 0.000 1.173 150 L CA 0.367 55.390 54.840 0.305 0.000 0.961 150 L CB -0.568 41.726 42.059 0.392 0.000 1.217 150 L HN 0.308 nan 8.230 nan 0.000 0.478 151 G N 0.923 109.831 108.800 0.181 0.000 2.221 151 G HA2 -0.269 3.693 3.960 0.003 0.000 0.265 151 G HA3 -0.269 3.693 3.960 0.003 0.000 0.265 151 G C -0.101 174.896 174.900 0.161 0.000 1.041 151 G CA 0.206 45.388 45.100 0.136 0.000 0.807 151 G HN 0.293 nan 8.290 nan 0.000 0.502 152 L N -0.205 121.148 121.223 0.216 0.000 2.323 152 L HA 0.815 5.157 4.340 0.003 0.000 0.265 152 L C 0.803 177.782 176.870 0.182 0.000 1.012 152 L CA -0.615 54.331 54.840 0.178 0.000 0.820 152 L CB 2.299 44.464 42.059 0.177 0.000 1.334 152 L HN 0.321 nan 8.230 nan 0.000 0.427 153 T N -1.279 113.355 114.554 0.133 0.000 2.940 153 T HA 0.742 5.094 4.350 0.003 0.000 0.288 153 T C -0.576 174.213 174.700 0.149 0.000 1.033 153 T CA -0.752 61.431 62.100 0.140 0.000 1.033 153 T CB 2.140 71.072 68.868 0.106 0.000 1.079 153 T HN 0.204 nan 8.240 nan 0.000 0.496 154 V N 1.130 121.154 119.914 0.183 0.000 2.588 154 V HA 0.791 4.913 4.120 0.003 0.000 0.304 154 V C 0.605 176.809 176.094 0.184 0.000 1.042 154 V CA -0.554 61.882 62.300 0.226 0.000 0.877 154 V CB 1.688 33.710 31.823 0.332 0.000 0.996 154 V HN 1.302 nan 8.190 nan 0.000 0.425 155 G N 2.970 111.876 108.800 0.177 0.000 2.511 155 G HA2 0.774 4.736 3.960 0.003 0.000 0.318 155 G HA3 0.774 4.736 3.960 0.003 0.000 0.318 155 G C -1.636 173.344 174.900 0.133 0.000 1.210 155 G CA -0.635 44.536 45.100 0.118 0.000 0.969 155 G HN 0.650 nan 8.290 nan 0.000 0.484 156 I N 0.160 120.764 120.570 0.056 0.000 2.499 156 I HA 0.545 4.717 4.170 0.003 0.000 0.288 156 I C -1.352 174.729 176.117 -0.061 0.000 1.048 156 I CA -1.058 60.256 61.300 0.025 0.000 1.062 156 I CB 2.181 40.199 38.000 0.030 0.000 1.238 156 I HN 0.369 nan 8.210 nan 0.000 0.426 157 N N 7.354 125.971 118.700 -0.138 0.000 2.392 157 N HA 0.709 5.451 4.740 0.003 0.000 0.283 157 N C -1.888 173.536 175.510 -0.142 0.000 1.003 157 N CA -0.298 52.636 53.050 -0.193 0.000 0.892 157 N CB 1.211 39.446 38.487 -0.419 0.000 1.193 157 N HN 0.648 nan 8.380 nan 0.000 0.487 158 L N 3.167 124.346 121.223 -0.074 0.000 2.409 158 L HA 0.628 4.970 4.340 0.003 0.000 0.262 158 L C -2.220 174.642 176.870 -0.012 0.000 0.992 158 L CA -2.197 52.619 54.840 -0.040 0.000 0.817 158 L CB 2.688 44.736 42.059 -0.019 0.000 1.350 158 L HN 0.440 nan 8.230 nan 0.000 0.411 159 P HA 0.050 nan 4.420 nan 0.000 0.265 159 P C 0.745 178.044 177.300 -0.001 0.000 1.193 159 P CA 0.820 63.924 63.100 0.007 0.000 0.765 159 P CB 0.803 32.510 31.700 0.011 0.000 0.823 160 G N 2.083 110.880 108.800 -0.005 0.000 2.199 160 G HA2 -0.306 3.656 3.960 0.003 0.000 0.254 160 G HA3 -0.306 3.656 3.960 0.003 0.000 0.254 160 G C 0.182 175.087 174.900 0.008 0.000 0.982 160 G CA 0.171 45.269 45.100 -0.003 0.000 0.632 160 G HN 0.602 nan 8.290 nan 0.000 0.529 161 M N 2.035 121.644 119.600 0.014 0.000 2.228 161 M HA 0.445 4.927 4.480 0.003 0.000 0.351 161 M C -1.812 174.507 176.300 0.031 0.000 1.233 161 M CA -1.342 53.971 55.300 0.021 0.000 1.129 161 M CB 0.589 33.202 32.600 0.022 0.000 1.604 161 M HN 0.002 nan 8.290 nan 0.000 0.457 162 P HA 0.095 nan 4.420 nan 0.000 0.269 162 P C -0.432 176.898 177.300 0.050 0.000 1.215 162 P CA -0.060 63.061 63.100 0.035 0.000 0.780 162 P CB 0.561 32.279 31.700 0.029 0.000 0.898 163 A N 4.477 127.327 122.820 0.050 0.000 1.883 163 A HA -0.133 4.189 4.320 0.003 0.000 0.217 163 A C -0.457 177.171 177.584 0.072 0.000 1.186 163 A CA 1.926 54.001 52.037 0.064 0.000 0.624 163 A CB -2.474 16.556 19.000 0.050 0.000 0.822 163 A HN 0.490 nan 8.150 nan 0.000 0.444 164 P HA -0.150 nan 4.420 nan 0.000 0.215 164 P C 1.781 179.124 177.300 0.072 0.000 1.153 164 P CA 1.987 65.123 63.100 0.060 0.000 0.853 164 P CB -0.148 31.579 31.700 0.046 0.000 0.788 165 A N 0.121 122.980 122.820 0.064 0.000 1.883 165 A HA -0.264 4.058 4.320 0.003 0.000 0.217 165 A C 2.099 179.734 177.584 0.084 0.000 1.186 165 A CA 2.095 54.171 52.037 0.064 0.000 0.624 165 A CB -1.207 17.821 19.000 0.046 0.000 0.822 165 A HN 0.133 nan 8.150 nan 0.000 0.444 166 K N -0.667 119.797 120.400 0.108 0.000 2.044 166 K HA -0.208 4.114 4.320 0.003 0.000 0.210 166 K C 2.317 179.087 176.600 0.283 0.000 1.049 166 K CA 1.817 58.214 56.287 0.182 0.000 0.927 166 K CB -0.267 32.373 32.500 0.235 0.000 0.713 166 K HN 0.394 nan 8.250 nan 0.000 0.443 167 R N 1.020 121.650 120.500 0.217 0.000 2.091 167 R HA -0.159 4.183 4.340 0.003 0.000 0.238 167 R C 2.266 178.683 176.300 0.195 0.000 1.136 167 R CA 1.567 57.794 56.100 0.210 0.000 0.959 167 R CB -0.166 30.207 30.300 0.122 0.000 0.856 167 R HN 0.352 nan 8.270 nan 0.000 0.437 168 E N 0.086 120.370 120.200 0.139 0.000 2.077 168 E HA -0.194 4.158 4.350 0.003 0.000 0.193 168 E C 2.028 178.698 176.600 0.116 0.000 0.989 168 E CA 1.200 57.667 56.400 0.112 0.000 0.800 168 E CB -0.095 29.654 29.700 0.083 0.000 0.746 168 E HN 0.367 nan 8.360 nan 0.000 0.452 169 A N 0.419 123.298 122.820 0.097 0.000 1.902 169 A HA -0.182 4.140 4.320 0.003 0.000 0.217 169 A C 1.795 179.395 177.584 0.026 0.000 1.181 169 A CA 1.246 53.297 52.037 0.023 0.000 0.623 169 A CB -0.744 18.209 19.000 -0.077 0.000 0.818 169 A HN 0.294 nan 8.150 nan 0.000 0.443 170 Y N -0.560 119.825 120.300 0.141 0.000 2.457 170 Y HA 0.101 4.653 4.550 0.003 0.000 0.292 170 Y C 2.616 178.619 175.900 0.171 0.000 1.125 170 Y CA 0.632 58.849 58.100 0.194 0.000 1.254 170 Y CB -0.035 38.543 38.460 0.197 0.000 1.012 170 Y HN 0.344 nan 8.280 nan 0.000 0.555 171 A N 0.174 123.150 122.820 0.260 0.000 2.123 171 A HA 0.330 4.652 4.320 0.003 0.000 0.214 171 A C 1.529 179.195 177.584 0.135 0.000 1.152 171 A CA 0.470 52.612 52.037 0.176 0.000 0.728 171 A CB -0.781 18.300 19.000 0.135 0.000 0.814 171 A HN 0.218 nan 8.150 nan 0.000 0.464 172 A N 0.161 123.060 122.820 0.131 0.000 2.448 172 A HA 0.245 4.567 4.320 0.003 0.000 0.239 172 A C 0.837 178.479 177.584 0.096 0.000 1.080 172 A CA 0.227 52.327 52.037 0.106 0.000 0.779 172 A CB 0.169 19.232 19.000 0.106 0.000 1.026 172 A HN 0.401 nan 8.150 nan 0.000 0.499 173 D N -0.201 120.237 120.400 0.063 0.000 2.149 173 D HA -0.080 4.562 4.640 0.003 0.000 0.198 173 D C 0.255 176.554 176.300 -0.001 0.000 0.990 173 D CA 1.706 55.719 54.000 0.022 0.000 0.839 173 D CB -0.021 40.774 40.800 -0.008 0.000 0.948 173 D HN 0.512 nan 8.370 nan 0.000 0.460 174 I N -0.147 120.416 120.570 -0.011 0.000 2.607 174 I HA 0.139 4.311 4.170 0.003 0.000 0.290 174 I C -0.617 175.509 176.117 0.016 0.000 1.129 174 I CA -0.407 60.856 61.300 -0.061 0.000 1.042 174 I CB 2.661 40.514 38.000 -0.246 0.000 1.242 174 I HN -0.351 nan 8.210 nan 0.000 0.421 175 T N 3.963 118.513 114.554 -0.006 0.000 2.885 175 T HA 0.621 4.973 4.350 0.003 0.000 0.285 175 T C -1.194 173.424 174.700 -0.138 0.000 1.019 175 T CA -0.598 61.519 62.100 0.028 0.000 1.010 175 T CB 1.233 70.160 68.868 0.099 0.000 1.022 175 T HN 0.208 nan 8.240 nan 0.000 0.466 176 Y N 0.302 120.668 120.300 0.110 0.000 2.409 176 Y HA 0.702 5.254 4.550 0.003 0.000 0.343 176 Y C 0.645 176.518 175.900 -0.046 0.000 0.973 176 Y CA -0.468 57.689 58.100 0.095 0.000 1.064 176 Y CB 2.582 41.069 38.460 0.045 0.000 1.207 176 Y HN 1.024 nan 8.280 nan 0.000 0.452 177 G N 0.224 109.046 108.800 0.037 0.000 2.466 177 G HA2 0.431 4.393 3.960 0.003 0.000 0.291 177 G HA3 0.431 4.393 3.960 0.003 0.000 0.291 177 G C -1.026 173.779 174.900 -0.157 0.000 1.460 177 G CA -0.876 44.054 45.100 -0.283 0.000 0.791 177 G HN 0.588 nan 8.290 nan 0.000 0.505 178 T N -1.023 113.442 114.554 -0.148 0.000 2.849 178 T HA 0.292 4.644 4.350 0.003 0.000 0.284 178 T C 1.773 176.555 174.700 0.137 0.000 1.004 178 T CA 0.332 62.444 62.100 0.020 0.000 1.021 178 T CB 1.153 70.044 68.868 0.037 0.000 1.013 178 T HN 0.771 nan 8.240 nan 0.000 0.527 179 N N 2.033 120.886 118.700 0.254 0.000 2.061 179 N HA -0.238 4.504 4.740 0.003 0.000 0.193 179 N C 1.339 177.084 175.510 0.392 0.000 1.030 179 N CA 1.751 55.052 53.050 0.418 0.000 0.856 179 N CB -1.129 37.412 38.487 0.090 0.000 1.023 179 N HN 0.708 nan 8.380 nan 0.000 0.424 180 N N 0.509 119.378 118.700 0.282 0.000 2.069 180 N HA -0.173 4.569 4.740 0.003 0.000 0.191 180 N C 1.443 177.088 175.510 0.226 0.000 1.031 180 N CA 1.420 54.665 53.050 0.325 0.000 0.852 180 N CB -0.097 38.600 38.487 0.351 0.000 1.018 180 N HN 0.369 nan 8.380 nan 0.000 0.423 181 E N 0.323 120.641 120.200 0.196 0.000 2.107 181 E HA -0.104 4.248 4.350 0.003 0.000 0.191 181 E C 1.527 178.201 176.600 0.123 0.000 0.982 181 E CA 0.976 57.472 56.400 0.159 0.000 0.809 181 E CB -0.172 29.538 29.700 0.017 0.000 0.756 181 E HN 0.329 nan 8.360 nan 0.000 0.459 182 Y N -0.013 120.370 120.300 0.138 0.000 2.053 182 Y HA -0.138 4.414 4.550 0.003 0.000 0.277 182 Y C 2.409 178.152 175.900 -0.260 0.000 1.159 182 Y CA 1.613 59.782 58.100 0.116 0.000 1.125 182 Y CB -1.205 37.423 38.460 0.280 0.000 0.969 182 Y HN 0.198 nan 8.280 nan 0.000 0.492 183 G N -0.762 107.750 108.800 -0.480 0.000 2.476 183 G HA2 -0.278 3.684 3.960 0.003 0.000 0.218 183 G HA3 -0.278 3.684 3.960 0.003 0.000 0.218 183 G C 1.507 176.218 174.900 -0.315 0.000 1.164 183 G CA 1.138 45.731 45.100 -0.845 0.000 0.768 183 G HN 0.306 nan 8.290 nan 0.000 0.560 184 F N 1.475 121.389 119.950 -0.061 0.000 2.171 184 F HA 0.000 4.529 4.527 0.003 0.000 0.300 184 F C 2.478 178.296 175.800 0.030 0.000 1.090 184 F CA 1.238 59.238 58.000 0.001 0.000 1.293 184 F CB -0.286 38.725 39.000 0.019 0.000 1.013 184 F HN 0.080 nan 8.300 nan 0.000 0.486 185 D N -1.208 119.336 120.400 0.239 0.000 2.144 185 D HA -0.236 4.406 4.640 0.003 0.000 0.199 185 D C 2.069 178.434 176.300 0.108 0.000 0.984 185 D CA 1.138 55.247 54.000 0.182 0.000 0.834 185 D CB -0.638 40.315 40.800 0.254 0.000 0.955 185 D HN 0.310 nan 8.370 nan 0.000 0.465 186 Y N 1.536 121.853 120.300 0.029 0.000 2.097 186 Y HA -0.189 4.363 4.550 0.003 0.000 0.282 186 Y C 2.267 178.184 175.900 0.029 0.000 1.152 186 Y CA 1.418 59.545 58.100 0.045 0.000 1.136 186 Y CB -0.459 38.087 38.460 0.144 0.000 0.975 186 Y HN -0.091 nan 8.280 nan 0.000 0.498 187 L N -0.247 121.017 121.223 0.068 0.000 2.042 187 L HA -0.263 4.079 4.340 0.003 0.000 0.210 187 L C 2.625 179.462 176.870 -0.056 0.000 1.076 187 L CA 1.769 56.634 54.840 0.042 0.000 0.749 187 L CB -0.589 41.581 42.059 0.184 0.000 0.893 187 L HN 0.172 nan 8.230 nan 0.000 0.432 188 R N -0.241 120.258 120.500 -0.002 0.000 2.090 188 R HA -0.126 4.216 4.340 0.003 0.000 0.228 188 R C 1.871 178.112 176.300 -0.099 0.000 1.110 188 R CA 1.191 57.283 56.100 -0.013 0.000 0.973 188 R CB -0.293 30.028 30.300 0.035 0.000 0.869 188 R HN 0.309 nan 8.270 nan 0.000 0.440 189 D N 0.474 120.776 120.400 -0.162 0.000 2.182 189 D HA -0.125 4.517 4.640 0.003 0.000 0.201 189 D C 0.992 177.087 176.300 -0.341 0.000 0.986 189 D CA 1.068 54.931 54.000 -0.228 0.000 0.847 189 D CB -0.205 40.441 40.800 -0.258 0.000 0.942 189 D HN 0.162 nan 8.370 nan 0.000 0.467 190 N N -0.367 118.039 118.700 -0.489 0.000 2.314 190 N HA 0.099 4.841 4.740 0.003 0.000 0.200 190 N C 0.760 175.980 175.510 -0.484 0.000 1.135 190 N CA 0.091 52.731 53.050 -0.684 0.000 0.835 190 N CB 0.396 38.091 38.487 -1.319 0.000 0.989 190 N HN 0.287 nan 8.380 nan 0.000 0.478 191 M N -0.331 119.118 119.600 -0.252 0.000 2.313 191 M HA 0.251 4.733 4.480 0.003 0.000 0.273 191 M C 0.411 176.692 176.300 -0.031 0.000 1.049 191 M CA -0.193 55.046 55.300 -0.101 0.000 1.004 191 M CB 0.941 33.553 32.600 0.018 0.000 1.461 191 M HN -0.084 nan 8.290 nan 0.000 0.514 192 A N -0.156 122.601 122.820 -0.105 0.000 2.351 192 A HA 0.397 4.719 4.320 0.003 0.000 0.257 192 A C -0.030 177.509 177.584 -0.076 0.000 1.087 192 A CA -0.039 51.997 52.037 -0.002 0.000 0.798 192 A CB 0.102 19.070 19.000 -0.053 0.000 1.033 192 A HN 0.404 nan 8.150 nan 0.000 0.488 193 F N 0.619 120.545 119.950 -0.041 0.000 2.695 193 F HA 0.181 4.710 4.527 0.002 0.000 0.303 193 F C 1.222 177.015 175.800 -0.012 0.000 1.091 193 F CA 0.922 58.905 58.000 -0.027 0.000 1.300 193 F CB 0.372 39.366 39.000 -0.010 0.000 1.071 193 F HN 0.561 nan 8.300 nan 0.000 0.578 194 S N -1.122 114.643 115.700 0.108 0.000 2.564 194 S HA 0.437 4.909 4.470 0.003 0.000 0.274 194 S C -2.336 172.270 174.600 0.010 0.000 1.124 194 S CA -1.341 56.895 58.200 0.060 0.000 0.869 194 S CB 2.188 65.442 63.200 0.091 0.000 1.105 194 S HN -0.221 nan 8.310 nan 0.000 0.472 195 P HA -0.061 nan 4.420 nan 0.000 0.223 195 P C 0.998 178.292 177.300 -0.010 0.000 1.151 195 P CA 1.019 64.104 63.100 -0.025 0.000 0.787 195 P CB -0.026 31.659 31.700 -0.025 0.000 0.788 196 E N 0.798 121.004 120.200 0.010 0.000 2.347 196 E HA -0.139 4.213 4.350 0.003 0.000 0.196 196 E C 1.371 177.981 176.600 0.016 0.000 1.008 196 E CA 0.755 57.165 56.400 0.016 0.000 0.852 196 E CB -0.753 28.961 29.700 0.025 0.000 0.783 196 E HN 0.409 nan 8.360 nan 0.000 0.505 197 E N 1.002 121.211 120.200 0.015 0.000 2.358 197 E HA 0.009 4.361 4.350 0.003 0.000 0.195 197 E C 0.420 177.018 176.600 -0.004 0.000 1.010 197 E CA -0.045 56.365 56.400 0.016 0.000 0.856 197 E CB 0.053 29.773 29.700 0.032 0.000 0.795 197 E HN 0.157 nan 8.360 nan 0.000 0.504 198 R N 0.715 121.199 120.500 -0.027 0.000 2.679 198 R HA -0.004 4.338 4.340 0.003 0.000 0.268 198 R C 1.297 177.570 176.300 -0.046 0.000 1.044 198 R CA 0.042 56.107 56.100 -0.059 0.000 1.105 198 R CB 0.827 31.081 30.300 -0.078 0.000 0.989 198 R HN 0.059 nan 8.270 nan 0.000 0.447 199 V N -0.839 119.025 119.914 -0.083 0.000 3.379 199 V HA 0.074 4.196 4.120 0.003 0.000 0.249 199 V C 0.546 176.473 176.094 -0.277 0.000 1.184 199 V CA 0.261 62.524 62.300 -0.062 0.000 1.106 199 V CB -0.043 31.802 31.823 0.038 0.000 0.826 199 V HN 0.575 nan 8.190 nan 0.000 0.465 200 Q N 0.910 120.440 119.800 -0.449 0.000 2.212 200 Q HA 0.543 4.885 4.340 0.003 0.000 0.238 200 Q C -0.510 175.398 176.000 -0.153 0.000 0.955 200 Q CA -0.642 54.820 55.803 -0.569 0.000 0.906 200 Q CB 1.573 30.030 28.738 -0.469 0.000 1.215 200 Q HN 0.411 nan 8.270 nan 0.000 0.478 201 R N 0.445 120.934 120.500 -0.019 0.000 2.705 201 R HA 0.278 4.620 4.340 0.003 0.000 0.246 201 R C -0.182 176.135 176.300 0.029 0.000 1.142 201 R CA -0.899 55.224 56.100 0.037 0.000 1.114 201 R CB 0.752 31.116 30.300 0.107 0.000 1.256 201 R HN 0.436 nan 8.270 nan 0.000 0.536 202 K N 1.465 121.872 120.400 0.012 0.000 2.527 202 K HA -0.023 4.299 4.320 0.003 0.000 0.278 202 K C -0.596 175.986 176.600 -0.030 0.000 0.981 202 K CA 0.198 56.479 56.287 -0.009 0.000 1.009 202 K CB 0.318 32.811 32.500 -0.011 0.000 0.895 202 K HN 0.375 nan 8.250 nan 0.000 0.493 203 L N 5.910 127.053 121.223 -0.133 0.000 2.342 203 L HA 0.097 4.439 4.340 0.003 0.000 0.285 203 L C 1.392 178.167 176.870 -0.159 0.000 1.095 203 L CA -0.257 54.356 54.840 -0.378 0.000 0.843 203 L CB 0.355 41.822 42.059 -0.987 0.000 1.201 203 L HN 0.814 nan 8.230 nan 0.000 0.445 204 H N 3.952 122.973 119.070 -0.082 0.000 2.355 204 H HA 0.053 4.611 4.556 0.005 0.000 0.312 204 H C -0.711 174.765 175.328 0.247 0.000 1.051 204 H CA 0.192 56.271 56.048 0.052 0.000 1.389 204 H CB 0.847 30.613 29.762 0.007 0.000 1.455 204 H HN 0.455 nan 8.280 nan 0.000 0.575 205 Y N 0.700 120.856 120.300 -0.239 0.000 2.396 205 Y HA 0.535 5.087 4.550 0.003 0.000 0.332 205 Y C -1.603 174.075 175.900 -0.369 0.000 1.034 205 Y CA -0.995 56.871 58.100 -0.390 0.000 1.057 205 Y CB 1.361 39.468 38.460 -0.589 0.000 1.220 205 Y HN 0.313 nan 8.280 nan 0.000 0.440 206 A N 6.191 128.441 122.820 -0.950 0.000 2.319 206 A HA 0.685 5.007 4.320 0.003 0.000 0.310 206 A C -2.242 174.708 177.584 -1.056 0.000 1.152 206 A CA -0.624 50.769 52.037 -1.074 0.000 0.783 206 A CB 0.937 19.079 19.000 -1.430 0.000 1.184 206 A HN 0.681 nan 8.150 nan 0.000 0.474 207 L N 4.179 124.853 121.223 -0.914 0.000 2.316 207 L HA 0.623 4.965 4.340 0.003 0.000 0.280 207 L C -1.068 175.547 176.870 -0.424 0.000 1.006 207 L CA -0.286 54.148 54.840 -0.678 0.000 0.836 207 L CB 1.395 43.103 42.059 -0.586 0.000 1.221 207 L HN 0.375 nan 8.230 nan 0.000 0.418 208 V N 5.558 125.223 119.914 -0.414 0.000 2.394 208 V HA 0.308 4.430 4.120 0.003 0.000 0.282 208 V C 0.494 176.441 176.094 -0.244 0.000 1.031 208 V CA -0.387 61.688 62.300 -0.375 0.000 0.881 208 V CB 1.361 32.869 31.823 -0.526 0.000 0.982 208 V HN 0.684 nan 8.190 nan 0.000 0.451 209 D N 2.530 122.836 120.400 -0.158 0.000 2.194 209 D HA 0.017 4.659 4.640 0.003 0.000 0.204 209 D C 0.548 176.793 176.300 -0.092 0.000 0.964 209 D CA 1.147 55.092 54.000 -0.092 0.000 0.846 209 D CB 0.455 41.235 40.800 -0.034 0.000 0.962 209 D HN 0.682 nan 8.370 nan 0.000 0.490 210 E N 0.079 120.215 120.200 -0.108 0.000 2.409 210 E HA 0.135 4.487 4.350 0.003 0.000 0.259 210 E C 0.639 177.178 176.600 -0.102 0.000 0.932 210 E CA -0.122 56.227 56.400 -0.084 0.000 0.809 210 E CB 2.402 32.072 29.700 -0.051 0.000 1.341 210 E HN -0.110 nan 8.360 nan 0.000 0.405 211 V N -0.695 119.153 119.914 -0.110 0.000 3.129 211 V HA -0.079 4.043 4.120 0.003 0.000 0.259 211 V C 1.157 177.319 176.094 0.113 0.000 1.116 211 V CA 1.036 63.285 62.300 -0.085 0.000 1.127 211 V CB -0.087 31.594 31.823 -0.237 0.000 0.742 211 V HN 0.338 nan 8.190 nan 0.000 0.474 212 D N 2.188 122.656 120.400 0.113 0.000 2.097 212 D HA -0.129 4.513 4.640 0.003 0.000 0.195 212 D C 2.552 178.872 176.300 0.034 0.000 0.989 212 D CA 2.248 56.313 54.000 0.108 0.000 0.827 212 D CB -0.232 40.606 40.800 0.063 0.000 0.966 212 D HN 0.710 nan 8.370 nan 0.000 0.456 213 S N 0.000 115.703 115.700 0.004 0.000 2.348 213 S HA -0.008 4.465 4.470 0.003 0.000 0.219 213 S C 2.302 176.883 174.600 -0.033 0.000 1.033 213 S CA 0.312 58.505 58.200 -0.013 0.000 0.974 213 S CB -0.581 62.605 63.200 -0.023 0.000 0.868 213 S HN 0.187 nan 8.310 nan 0.000 0.459 214 I N 1.162 121.688 120.570 -0.074 0.000 2.315 214 I HA -0.035 4.137 4.170 0.003 0.000 0.248 214 I C 2.189 178.259 176.117 -0.078 0.000 1.117 214 I CA 1.147 62.361 61.300 -0.142 0.000 1.404 214 I CB -0.163 37.707 38.000 -0.217 0.000 1.071 214 I HN 0.261 nan 8.210 nan 0.000 0.419 215 L N -0.658 120.545 121.223 -0.034 0.000 2.357 215 L HA 0.053 4.395 4.340 0.003 0.000 0.211 215 L C 2.088 179.083 176.870 0.207 0.000 1.075 215 L CA 0.263 55.139 54.840 0.061 0.000 0.830 215 L CB 0.168 42.147 42.059 -0.133 0.000 0.996 215 L HN 0.147 nan 8.230 nan 0.000 0.467 216 I N -0.355 120.265 120.570 0.084 0.000 3.098 216 I HA -0.043 4.129 4.170 0.003 0.000 0.241 216 I C 1.933 178.069 176.117 0.032 0.000 1.081 216 I CA 0.828 62.122 61.300 -0.009 0.000 1.487 216 I CB -0.942 36.934 38.000 -0.207 0.000 1.366 216 I HN 0.106 nan 8.210 nan 0.000 0.463 217 D N 1.312 121.724 120.400 0.021 0.000 2.123 217 D HA -0.179 4.463 4.640 0.003 0.000 0.196 217 D C 1.620 177.968 176.300 0.079 0.000 0.992 217 D CA 1.254 55.276 54.000 0.036 0.000 0.833 217 D CB -0.046 40.768 40.800 0.022 0.000 0.954 217 D HN 0.301 nan 8.370 nan 0.000 0.455 218 E N -0.171 120.089 120.200 0.100 0.000 2.444 218 E HA 0.224 4.576 4.350 0.003 0.000 0.191 218 E C 1.671 178.458 176.600 0.310 0.000 1.041 218 E CA -0.097 56.408 56.400 0.176 0.000 0.883 218 E CB 0.521 30.265 29.700 0.074 0.000 1.024 218 E HN 0.127 nan 8.360 nan 0.000 0.470 219 A N 1.308 124.283 122.820 0.258 0.000 1.927 219 A HA -0.207 4.115 4.320 0.003 0.000 0.220 219 A C 2.021 179.765 177.584 0.268 0.000 1.185 219 A CA 1.350 53.576 52.037 0.315 0.000 0.639 219 A CB -0.194 18.941 19.000 0.225 0.000 0.820 219 A HN 0.107 nan 8.150 nan 0.000 0.451 220 R N -0.743 119.870 120.500 0.188 0.000 2.362 220 R HA 0.087 4.429 4.340 0.003 0.000 0.227 220 R C -0.330 176.035 176.300 0.109 0.000 0.905 220 R CA 0.114 56.286 56.100 0.120 0.000 1.067 220 R CB 0.016 30.361 30.300 0.075 0.000 1.078 220 R HN 0.342 nan 8.270 nan 0.000 0.516 221 T N 4.820 119.486 114.554 0.187 0.000 2.817 221 T HA 0.088 4.440 4.350 0.003 0.000 0.295 221 T C -2.260 172.416 174.700 -0.041 0.000 0.958 221 T CA -0.770 61.418 62.100 0.146 0.000 1.157 221 T CB 0.949 70.020 68.868 0.339 0.000 0.898 221 T HN 0.072 nan 8.240 nan 0.000 0.536 222 P HA 0.324 nan 4.420 nan 0.000 0.285 222 P C -0.643 176.530 177.300 -0.211 0.000 1.259 222 P CA -0.590 62.420 63.100 -0.150 0.000 0.794 222 P CB 0.743 32.404 31.700 -0.066 0.000 0.940 223 L N 4.611 125.606 121.223 -0.380 0.000 2.290 223 L HA 0.464 4.806 4.340 0.003 0.000 0.284 223 L C 0.496 177.316 176.870 -0.084 0.000 1.078 223 L CA -0.371 54.231 54.840 -0.397 0.000 0.815 223 L CB 0.253 41.793 42.059 -0.864 0.000 1.162 223 L HN 0.252 nan 8.230 nan 0.000 0.435 224 I N 4.619 125.293 120.570 0.173 0.000 2.466 224 I HA 0.392 4.564 4.170 0.003 0.000 0.289 224 I C -0.430 175.852 176.117 0.275 0.000 1.026 224 I CA -0.394 61.012 61.300 0.177 0.000 1.078 224 I CB 2.451 40.507 38.000 0.094 0.000 1.249 224 I HN 0.465 nan 8.210 nan 0.000 0.429 225 I N 5.389 126.084 120.570 0.209 0.000 2.321 225 I HA 0.327 4.499 4.170 0.003 0.000 0.291 225 I C -0.143 176.026 176.117 0.086 0.000 0.998 225 I CA -0.009 61.375 61.300 0.140 0.000 1.227 225 I CB 1.376 39.464 38.000 0.147 0.000 1.368 225 I HN 0.512 nan 8.210 nan 0.000 0.466 226 S N 3.829 119.559 115.700 0.050 0.000 2.568 226 S HA 0.906 5.378 4.470 0.003 0.000 0.302 226 S C -0.073 174.542 174.600 0.026 0.000 1.082 226 S CA -0.822 57.397 58.200 0.032 0.000 1.009 226 S CB 2.183 65.395 63.200 0.022 0.000 1.069 226 S HN 0.843 nan 8.310 nan 0.000 0.500 227 G N 0.690 109.505 108.800 0.026 0.000 2.718 227 G HA2 0.568 4.530 3.960 0.003 0.000 0.295 227 G HA3 0.568 4.530 3.960 0.003 0.000 0.295 227 G C -3.030 171.884 174.900 0.023 0.000 1.421 227 G CA -1.423 43.691 45.100 0.024 0.000 0.902 227 G HN 0.386 nan 8.290 nan 0.000 0.501 228 P HA -0.018 nan 4.420 nan 0.000 0.217 228 P C 1.758 179.074 177.300 0.027 0.000 1.150 228 P CA 1.547 64.661 63.100 0.022 0.000 0.832 228 P CB 0.177 31.889 31.700 0.019 0.000 0.787 229 A N -0.375 122.462 122.820 0.028 0.000 2.159 229 A HA -0.238 4.084 4.320 0.003 0.000 0.291 229 A C 0.097 177.705 177.584 0.041 0.000 1.319 229 A CA 1.137 53.196 52.037 0.036 0.000 0.935 229 A CB -1.930 17.095 19.000 0.042 0.000 0.993 229 A HN 0.357 nan 8.150 nan 0.000 0.354 230 E N 0.399 120.621 120.200 0.038 0.000 2.243 230 E HA 0.574 4.926 4.350 0.003 0.000 0.260 230 E C 0.328 176.955 176.600 0.045 0.000 0.985 230 E CA -0.420 56.006 56.400 0.043 0.000 0.858 230 E CB 0.857 30.584 29.700 0.044 0.000 1.210 230 E HN 0.487 nan 8.360 nan 0.000 0.411 231 D N -0.107 120.322 120.400 0.049 0.000 2.384 231 D HA 0.152 4.794 4.640 0.003 0.000 0.257 231 D C 0.296 176.624 176.300 0.047 0.000 1.226 231 D CA -0.567 53.460 54.000 0.045 0.000 1.129 231 D CB -0.545 40.282 40.800 0.044 0.000 1.197 231 D HN 0.344 nan 8.370 nan 0.000 0.571 281 L N 0.507 121.752 121.223 0.038 0.000 1.978 281 L HA -0.231 4.111 4.340 0.003 0.000 0.218 281 L C 2.496 179.376 176.870 0.017 0.000 1.075 281 L CA 2.168 57.024 54.840 0.027 0.000 0.767 281 L CB -0.617 41.463 42.059 0.035 0.000 0.890 281 L HN 0.367 nan 8.230 nan 0.000 0.434 282 I N -0.057 120.535 120.570 0.038 0.000 2.248 282 I HA -0.274 3.898 4.170 0.003 0.000 0.248 282 I C 2.643 178.737 176.117 -0.038 0.000 1.107 282 I CA 1.532 62.817 61.300 -0.024 0.000 1.373 282 I CB -0.903 37.078 38.000 -0.030 0.000 1.055 282 I HN 0.406 nan 8.210 nan 0.000 0.418 283 E N 0.581 120.782 120.200 0.003 0.000 2.031 283 E HA -0.234 4.118 4.350 0.003 0.000 0.193 283 E C 2.009 178.601 176.600 -0.012 0.000 0.994 283 E CA 1.153 57.553 56.400 0.000 0.000 0.800 283 E CB -0.135 29.576 29.700 0.018 0.000 0.752 283 E HN 0.391 nan 8.360 nan 0.000 0.447 284 E N 0.239 120.434 120.200 -0.008 0.000 2.048 284 E HA -0.218 4.134 4.350 0.003 0.000 0.202 284 E C 2.226 178.813 176.600 -0.021 0.000 1.021 284 E CA 1.216 57.610 56.400 -0.011 0.000 0.825 284 E CB -0.256 29.439 29.700 -0.007 0.000 0.756 284 E HN 0.163 nan 8.360 nan 0.000 0.454 285 L N 0.330 121.535 121.223 -0.031 0.000 1.994 285 L HA -0.163 4.179 4.340 0.003 0.000 0.208 285 L C 2.687 179.528 176.870 -0.048 0.000 1.071 285 L CA 1.124 55.940 54.840 -0.040 0.000 0.745 285 L CB -1.366 40.661 42.059 -0.053 0.000 0.892 285 L HN 0.126 nan 8.230 nan 0.000 0.431 286 L N -0.808 120.376 121.223 -0.065 0.000 1.990 286 L HA -0.157 4.185 4.340 0.003 0.000 0.213 286 L C 1.175 178.021 176.870 -0.041 0.000 1.072 286 L CA 1.024 55.822 54.840 -0.070 0.000 0.755 286 L CB -0.159 41.848 42.059 -0.086 0.000 0.889 286 L HN 0.048 nan 8.230 nan 0.000 0.432 287 V N 2.000 121.896 119.914 -0.029 0.000 2.673 287 V HA 0.168 4.290 4.120 0.003 0.000 0.303 287 V C -0.094 175.989 176.094 -0.019 0.000 1.046 287 V CA 0.161 62.450 62.300 -0.018 0.000 1.126 287 V CB -0.202 31.614 31.823 -0.011 0.000 0.934 287 V HN 0.618 nan 8.190 nan 0.000 0.487 288 K N 4.967 125.357 120.400 -0.016 0.000 7.140 288 K HA -0.087 4.235 4.320 0.003 0.000 0.736 288 K C -0.319 176.271 176.600 -0.017 0.000 2.402 288 K CA 0.193 56.471 56.287 -0.015 0.000 1.819 288 K CB -0.837 31.654 32.500 -0.014 0.000 2.719 288 K HN 0.818 nan 8.250 nan 0.000 0.294 289 E N -0.439 119.752 120.200 -0.015 0.000 2.860 289 E HA -0.220 4.132 4.350 0.003 0.000 0.323 289 E C 0.696 177.288 176.600 -0.014 0.000 1.387 289 E CA 2.044 58.435 56.400 -0.015 0.000 1.378 289 E CB -2.025 27.663 29.700 -0.019 0.000 1.829 289 E HN 1.656 nan 8.360 nan 0.000 0.553 290 G N -0.104 108.687 108.800 -0.016 0.000 2.498 290 G HA2 0.425 4.387 3.960 0.003 0.000 0.181 290 G HA3 0.425 4.387 3.960 0.003 0.000 0.181 290 G C -0.372 174.521 174.900 -0.013 0.000 1.169 290 G CA 0.240 45.333 45.100 -0.013 0.000 0.992 290 G HN 1.354 nan 8.290 nan 0.000 0.490 291 I N 0.176 120.741 120.570 -0.009 0.000 6.945 291 I HA -0.218 3.954 4.170 0.003 0.000 0.126 291 I C 0.645 176.760 176.117 -0.003 0.000 1.748 291 I CA 2.370 63.667 61.300 -0.005 0.000 2.254 291 I CB -0.395 37.602 38.000 -0.006 0.000 3.408 291 I HN 1.586 nan 8.210 nan 0.000 0.230 292 M N 0.445 120.042 119.600 -0.005 0.000 3.163 292 M HA -0.226 4.256 4.480 0.003 0.000 0.250 292 M C 0.803 177.097 176.300 -0.010 0.000 0.476 292 M CA 1.529 56.825 55.300 -0.007 0.000 0.957 292 M CB -1.202 31.390 32.600 -0.013 0.000 3.385 292 M HN 0.551 nan 8.290 nan 0.000 0.318 293 D N 1.401 121.795 120.400 -0.010 0.000 6.363 293 D HA -0.318 4.324 4.640 0.003 0.000 0.195 293 D C 1.133 177.429 176.300 -0.007 0.000 1.789 293 D CA 2.626 56.621 54.000 -0.009 0.000 0.833 293 D CB -0.778 40.018 40.800 -0.006 0.000 0.798 293 D HN 0.854 nan 8.370 nan 0.000 0.763 294 E N -0.207 119.990 120.200 -0.005 0.000 2.045 294 E HA 0.183 4.535 4.350 0.003 0.000 0.195 294 E C 1.828 178.427 176.600 -0.001 0.000 0.953 294 E CA 0.821 57.219 56.400 -0.002 0.000 0.859 294 E CB 0.118 29.818 29.700 -0.000 0.000 0.854 294 E HN 0.333 nan 8.360 nan 0.000 0.471 295 G N 0.486 109.286 108.800 0.000 0.000 4.008 295 G HA2 0.098 4.060 3.960 0.003 0.000 0.278 295 G HA3 0.098 4.060 3.960 0.003 0.000 0.278 295 G C -0.098 174.807 174.900 0.008 0.000 1.021 295 G CA -0.351 44.751 45.100 0.005 0.000 0.833 295 G HN 0.104 nan 8.290 nan 0.000 0.454 296 E N 0.545 120.747 120.200 0.003 0.000 2.342 296 E HA 0.441 4.793 4.350 0.003 0.000 0.257 296 E C -0.491 176.108 176.600 -0.000 0.000 1.150 296 E CA -0.268 56.137 56.400 0.008 0.000 0.926 296 E CB 1.172 30.875 29.700 0.006 0.000 1.074 296 E HN 0.039 nan 8.360 nan 0.000 0.449 297 S N 2.476 118.185 115.700 0.014 0.000 2.448 297 S HA 0.088 4.560 4.470 0.003 0.000 0.320 297 S C 0.888 175.448 174.600 -0.067 0.000 1.071 297 S CA -0.612 57.586 58.200 -0.003 0.000 1.113 297 S CB 0.708 63.988 63.200 0.133 0.000 0.972 297 S HN 0.599 nan 8.310 nan 0.000 0.465 298 L N 6.021 127.124 121.223 -0.200 0.000 2.230 298 L HA -0.172 4.170 4.340 0.003 0.000 0.217 298 L C 1.051 177.825 176.870 -0.161 0.000 1.090 298 L CA 2.096 56.806 54.840 -0.216 0.000 0.771 298 L CB -0.515 41.367 42.059 -0.296 0.000 0.892 298 L HN 0.924 nan 8.230 nan 0.000 0.438 299 Y N -1.488 118.832 120.300 0.032 0.000 2.490 299 Y HA 0.324 4.876 4.550 0.003 0.000 0.281 299 Y C 1.505 177.431 175.900 0.043 0.000 1.174 299 Y CA -0.327 57.795 58.100 0.038 0.000 1.295 299 Y CB -1.697 36.786 38.460 0.038 0.000 1.062 299 Y HN 0.200 nan 8.280 nan 0.000 0.522 300 S N 1.054 116.869 115.700 0.192 0.000 2.562 300 S HA 0.208 4.680 4.470 0.003 0.000 0.281 300 S C -2.739 171.928 174.600 0.113 0.000 1.333 300 S CA -1.549 56.733 58.200 0.137 0.000 1.052 300 S CB 0.737 63.995 63.200 0.096 0.000 0.884 300 S HN -0.023 nan 8.310 nan 0.000 0.506 301 P HA 0.322 nan 4.420 nan 0.000 0.262 301 P C 0.605 177.950 177.300 0.076 0.000 1.199 301 P CA 0.998 64.150 63.100 0.087 0.000 0.763 301 P CB 0.594 32.340 31.700 0.077 0.000 0.790 302 A N 4.268 127.132 122.820 0.074 0.000 3.460 302 A HA -0.172 4.150 4.320 0.003 0.000 0.197 302 A C 1.086 178.710 177.584 0.066 0.000 1.294 302 A CA 0.059 52.135 52.037 0.065 0.000 1.175 302 A CB -1.838 17.194 19.000 0.054 0.000 0.869 302 A HN 0.429 nan 8.150 nan 0.000 0.422 303 N N 0.837 119.575 118.700 0.063 0.000 2.434 303 N HA 0.159 4.901 4.740 0.003 0.000 0.196 303 N C 1.119 176.674 175.510 0.076 0.000 1.183 303 N CA 0.813 53.898 53.050 0.058 0.000 0.849 303 N CB -0.191 38.314 38.487 0.030 0.000 0.992 303 N HN 0.725 nan 8.380 nan 0.000 0.460 304 I N 0.279 120.903 120.570 0.090 0.000 2.163 304 I HA -0.255 3.917 4.170 0.003 0.000 0.243 304 I C 1.737 177.929 176.117 0.126 0.000 1.085 304 I CA 1.541 62.906 61.300 0.108 0.000 1.347 304 I CB 0.022 38.091 38.000 0.115 0.000 1.044 304 I HN 0.021 nan 8.210 nan 0.000 0.408 305 M N -0.329 119.354 119.600 0.138 0.000 2.099 305 M HA -0.144 4.338 4.480 0.003 0.000 0.262 305 M C 2.434 178.857 176.300 0.206 0.000 1.067 305 M CA 1.653 57.051 55.300 0.163 0.000 1.124 305 M CB -1.554 31.144 32.600 0.162 0.000 1.353 305 M HN 0.370 nan 8.290 nan 0.000 0.410 306 L N -0.059 121.286 121.223 0.204 0.000 2.013 306 L HA -0.286 4.056 4.340 0.003 0.000 0.212 306 L C 2.650 179.603 176.870 0.137 0.000 1.073 306 L CA 1.652 56.611 54.840 0.199 0.000 0.753 306 L CB -0.295 41.821 42.059 0.095 0.000 0.890 306 L HN 0.289 nan 8.230 nan 0.000 0.432 307 M N -1.141 118.505 119.600 0.076 0.000 2.149 307 M HA -0.294 4.188 4.480 0.003 0.000 0.261 307 M C 2.035 178.329 176.300 -0.010 0.000 1.064 307 M CA 2.018 57.332 55.300 0.023 0.000 1.102 307 M CB -0.519 32.099 32.600 0.029 0.000 1.369 307 M HN 0.279 nan 8.290 nan 0.000 0.408 308 H N -0.825 118.166 119.070 -0.132 0.000 2.353 308 H HA -0.133 4.425 4.556 0.004 0.000 0.300 308 H C 1.937 177.121 175.328 -0.240 0.000 1.090 308 H CA 2.382 58.249 56.048 -0.302 0.000 1.327 308 H CB -0.157 29.290 29.762 -0.525 0.000 1.383 308 H HN 0.525 nan 8.280 nan 0.000 0.508 309 H N -0.919 118.147 119.070 -0.007 0.000 2.387 309 H HA -0.120 4.438 4.556 0.003 0.000 0.299 309 H C 2.485 177.763 175.328 -0.084 0.000 1.090 309 H CA 1.669 57.697 56.048 -0.034 0.000 1.332 309 H CB -0.446 29.324 29.762 0.013 0.000 1.386 309 H HN 0.446 nan 8.280 nan 0.000 0.516 310 V N 0.962 120.896 119.914 0.033 0.000 2.488 310 V HA -0.140 3.982 4.120 0.003 0.000 0.246 310 V C 2.567 178.611 176.094 -0.083 0.000 1.046 310 V CA 2.181 64.467 62.300 -0.022 0.000 1.053 310 V CB -0.649 31.163 31.823 -0.018 0.000 0.679 310 V HN 0.541 nan 8.190 nan 0.000 0.458 311 T N -1.263 113.204 114.554 -0.145 0.000 2.849 311 T HA -0.035 4.317 4.350 0.003 0.000 0.270 311 T C 1.894 176.446 174.700 -0.247 0.000 1.066 311 T CA 1.858 63.837 62.100 -0.201 0.000 1.130 311 T CB -0.630 68.080 68.868 -0.262 0.000 0.864 311 T HN 0.847 nan 8.240 nan 0.000 0.481 312 A N 2.375 125.020 122.820 -0.291 0.000 1.850 312 A HA 0.645 4.967 4.320 0.003 0.000 0.212 312 A C 1.971 179.496 177.584 -0.099 0.000 1.208 312 A CA 0.703 52.602 52.037 -0.229 0.000 0.609 312 A CB -1.392 17.466 19.000 -0.237 0.000 0.860 312 A HN 0.880 nan 8.150 nan 0.000 0.448 366 Q N 1.826 121.641 119.800 0.025 0.000 2.259 366 Q HA 0.232 4.574 4.340 0.003 0.000 0.201 366 Q C 1.441 177.458 176.000 0.028 0.000 0.938 366 Q CA 1.145 56.962 55.803 0.023 0.000 0.872 366 Q CB 0.665 29.414 28.738 0.018 0.000 0.971 366 Q HN 0.725 nan 8.270 nan 0.000 0.494 367 N N -1.406 117.314 118.700 0.033 0.000 2.450 367 N HA -0.073 4.669 4.740 0.003 0.000 0.317 367 N C -1.099 174.436 175.510 0.040 0.000 0.651 367 N CA 0.730 53.801 53.050 0.035 0.000 1.030 367 N CB 0.720 39.223 38.487 0.027 0.000 2.010 367 N HN 0.193 nan 8.380 nan 0.000 1.425 368 E N 1.276 121.498 120.200 0.037 0.000 9.212 368 E HA -0.288 4.064 4.350 0.003 0.000 0.380 368 E C -1.462 175.157 176.600 0.032 0.000 1.429 368 E CA 1.592 58.015 56.400 0.038 0.000 2.482 368 E CB -1.160 28.570 29.700 0.051 0.000 1.064 368 E HN 0.634 nan 8.360 nan 0.000 0.415 369 N N -0.010 118.707 118.700 0.028 0.000 2.732 369 N HA 0.488 5.230 4.740 0.003 0.000 0.259 369 N C -1.663 173.853 175.510 0.011 0.000 1.402 369 N CA -0.384 52.679 53.050 0.021 0.000 0.829 369 N CB 1.661 40.158 38.487 0.018 0.000 1.495 369 N HN 0.872 nan 8.380 nan 0.000 0.511 370 Q N -0.727 119.076 119.800 0.004 0.000 2.416 370 Q HA 0.473 4.815 4.340 0.003 0.000 0.281 370 Q C -1.358 174.633 176.000 -0.015 0.000 1.067 370 Q CA -0.970 54.821 55.803 -0.020 0.000 0.809 370 Q CB 1.521 30.242 28.738 -0.028 0.000 1.418 370 Q HN 0.550 nan 8.270 nan 0.000 0.411 371 T N 2.935 117.465 114.554 -0.040 0.000 2.822 371 T HA 0.064 4.416 4.350 0.003 0.000 0.288 371 T C 0.908 175.605 174.700 -0.006 0.000 0.991 371 T CA 0.354 62.440 62.100 -0.023 0.000 1.176 371 T CB 0.047 68.878 68.868 -0.062 0.000 0.951 371 T HN 0.528 nan 8.240 nan 0.000 0.526 372 L N 1.636 122.889 121.223 0.051 0.000 2.463 372 L HA 0.487 4.829 4.340 0.003 0.000 0.219 372 L C 1.117 178.098 176.870 0.186 0.000 1.088 372 L CA -0.041 54.861 54.840 0.102 0.000 0.849 372 L CB -0.073 42.048 42.059 0.104 0.000 1.012 372 L HN 0.723 nan 8.230 nan 0.000 0.468 373 A N -0.900 122.034 122.820 0.188 0.000 2.590 373 A HA 0.640 4.962 4.320 0.003 0.000 0.296 373 A C -1.074 176.632 177.584 0.203 0.000 1.050 373 A CA -0.315 51.897 52.037 0.292 0.000 0.697 373 A CB 1.612 20.788 19.000 0.293 0.000 1.277 373 A HN -0.155 nan 8.150 nan 0.000 0.411 374 S N 0.735 116.558 115.700 0.206 0.000 2.543 374 S HA 0.797 5.269 4.470 0.003 0.000 0.271 374 S C -1.529 173.123 174.600 0.087 0.000 1.148 374 S CA -0.321 57.938 58.200 0.099 0.000 0.914 374 S CB 0.899 64.124 63.200 0.042 0.000 1.096 374 S HN 1.407 nan 8.310 nan 0.000 0.471 375 I N 3.216 123.780 120.570 -0.010 0.000 2.841 375 I HA 0.500 4.672 4.170 0.003 0.000 0.298 375 I C -0.156 175.865 176.117 -0.161 0.000 1.304 375 I CA -0.430 60.849 61.300 -0.035 0.000 1.019 375 I CB 2.446 40.463 38.000 0.028 0.000 1.282 375 I HN 0.775 nan 8.210 nan 0.000 0.432 376 T N 1.835 116.323 114.554 -0.110 0.000 2.899 376 T HA 0.335 4.687 4.350 0.003 0.000 0.284 376 T C 0.892 175.524 174.700 -0.114 0.000 1.004 376 T CA -0.234 61.785 62.100 -0.135 0.000 1.043 376 T CB 0.827 69.691 68.868 -0.006 0.000 1.013 376 T HN 0.376 nan 8.240 nan 0.000 0.518 377 F N 0.380 120.400 119.950 0.117 0.000 2.161 377 F HA -0.054 4.475 4.527 0.003 0.000 0.300 377 F C 2.899 178.909 175.800 0.349 0.000 1.089 377 F CA 1.490 59.622 58.000 0.220 0.000 1.282 377 F CB -0.593 38.608 39.000 0.334 0.000 1.010 377 F HN 0.714 nan 8.300 nan 0.000 0.485 378 Q N 0.594 120.662 119.800 0.448 0.000 2.061 378 Q HA -0.232 4.110 4.340 0.003 0.000 0.204 378 Q C 1.813 177.980 176.000 0.278 0.000 0.984 378 Q CA 1.797 57.834 55.803 0.390 0.000 0.846 378 Q CB -0.257 28.564 28.738 0.138 0.000 0.902 378 Q HN 0.359 nan 8.270 nan 0.000 0.421 379 N N -0.303 118.484 118.700 0.145 0.000 2.331 379 N HA -0.128 4.614 4.740 0.003 0.000 0.180 379 N C 1.545 177.065 175.510 0.018 0.000 1.019 379 N CA 0.793 53.883 53.050 0.066 0.000 0.881 379 N CB -0.372 38.131 38.487 0.026 0.000 0.972 379 N HN 0.343 nan 8.380 nan 0.000 0.435 380 Y N 0.877 121.110 120.300 -0.112 0.000 2.133 380 Y HA -0.128 4.423 4.550 0.003 0.000 0.287 380 Y C 1.711 177.489 175.900 -0.204 0.000 1.134 380 Y CA 1.437 59.352 58.100 -0.309 0.000 1.133 380 Y CB -0.622 37.574 38.460 -0.440 0.000 0.987 380 Y HN -0.145 nan 8.280 nan 0.000 0.502 381 F N 0.397 120.395 119.950 0.079 0.000 2.451 381 F HA -0.023 4.506 4.527 0.003 0.000 0.299 381 F C 2.184 178.051 175.800 0.112 0.000 1.101 381 F CA 1.112 59.154 58.000 0.070 0.000 1.436 381 F CB -0.445 38.623 39.000 0.112 0.000 1.074 381 F HN -0.014 nan 8.300 nan 0.000 0.553 382 R N -0.107 120.535 120.500 0.237 0.000 2.307 382 R HA 0.023 4.365 4.340 0.003 0.000 0.199 382 R C 1.785 178.106 176.300 0.036 0.000 1.000 382 R CA 0.426 56.622 56.100 0.160 0.000 1.023 382 R CB -0.340 30.032 30.300 0.120 0.000 0.908 382 R HN 0.348 nan 8.270 nan 0.000 0.473 383 L N -0.299 120.862 121.223 -0.103 0.000 2.376 383 L HA -0.048 4.294 4.340 0.003 0.000 0.219 383 L C 0.436 177.191 176.870 -0.192 0.000 1.133 383 L CA 0.479 55.193 54.840 -0.211 0.000 0.816 383 L CB -0.232 41.545 42.059 -0.470 0.000 0.933 383 L HN 0.087 nan 8.230 nan 0.000 0.449 384 Y N 0.334 120.542 120.300 -0.153 0.000 2.397 384 Y HA -0.101 4.451 4.550 0.004 0.000 0.335 384 Y C 1.720 177.593 175.900 -0.045 0.000 1.213 384 Y CA 0.240 58.276 58.100 -0.107 0.000 1.391 384 Y CB 0.558 38.954 38.460 -0.106 0.000 1.293 384 Y HN -0.016 nan 8.280 nan 0.000 0.557 385 E N 1.900 122.165 120.200 0.108 0.000 2.110 385 E HA -0.150 4.202 4.350 0.003 0.000 0.193 385 E C -0.357 176.294 176.600 0.086 0.000 0.988 385 E CA 1.185 57.639 56.400 0.091 0.000 0.804 385 E CB 0.241 30.012 29.700 0.120 0.000 0.745 385 E HN 0.529 nan 8.360 nan 0.000 0.458 386 K N 0.213 120.672 120.400 0.097 0.000 2.422 386 K HA 0.424 4.746 4.320 0.003 0.000 0.251 386 K C -1.453 175.208 176.600 0.102 0.000 0.933 386 K CA -0.833 55.514 56.287 0.099 0.000 0.798 386 K CB 2.275 34.815 32.500 0.067 0.000 1.238 386 K HN -0.057 nan 8.250 nan 0.000 0.428 387 L N 1.533 122.777 121.223 0.035 0.000 2.422 387 L HA 0.816 5.158 4.340 0.003 0.000 0.264 387 L C -1.743 175.061 176.870 -0.110 0.000 0.984 387 L CA -0.185 54.578 54.840 -0.128 0.000 0.819 387 L CB 2.048 44.050 42.059 -0.094 0.000 1.330 387 L HN 0.860 nan 8.230 nan 0.000 0.410 388 A N 2.161 124.833 122.820 -0.246 0.000 2.599 388 A HA 1.002 5.324 4.320 0.003 0.000 0.290 388 A C -0.795 176.600 177.584 -0.315 0.000 1.101 388 A CA -0.014 51.909 52.037 -0.189 0.000 0.674 388 A CB 1.457 20.456 19.000 -0.001 0.000 1.277 388 A HN 1.335 nan 8.150 nan 0.000 0.419 389 G N -0.690 107.938 108.800 -0.285 0.000 2.559 389 G HA2 0.612 4.574 3.960 0.003 0.000 0.291 389 G HA3 0.612 4.574 3.960 0.003 0.000 0.291 389 G C -1.344 173.409 174.900 -0.244 0.000 1.424 389 G CA -0.656 44.266 45.100 -0.297 0.000 0.786 389 G HN 0.718 nan 8.290 nan 0.000 0.485 390 M N 0.258 119.735 119.600 -0.205 0.000 2.602 390 M HA 0.738 5.220 4.480 0.003 0.000 0.312 390 M C -0.476 175.739 176.300 -0.141 0.000 1.181 390 M CA -0.758 54.453 55.300 -0.148 0.000 0.910 390 M CB 2.712 35.259 32.600 -0.088 0.000 1.723 390 M HN 0.631 nan 8.290 nan 0.000 0.459 391 T N 0.231 114.721 114.554 -0.107 0.000 2.885 391 T HA 0.570 4.922 4.350 0.003 0.000 0.322 391 T C -0.446 174.234 174.700 -0.032 0.000 1.387 391 T CA -0.431 61.632 62.100 -0.063 0.000 1.041 391 T CB 1.558 70.396 68.868 -0.050 0.000 1.287 391 T HN 0.898 nan 8.240 nan 0.000 0.491 392 G N 1.197 109.991 108.800 -0.010 0.000 2.664 392 G HA2 0.317 4.279 3.960 0.003 0.000 0.242 392 G HA3 0.317 4.279 3.960 0.003 0.000 0.242 392 G C 1.176 176.084 174.900 0.014 0.000 1.225 392 G CA 0.244 45.347 45.100 0.004 0.000 0.849 392 G HN 0.890 nan 8.290 nan 0.000 0.581 393 T N 0.793 115.358 114.554 0.018 0.000 3.070 393 T HA -0.136 4.217 4.350 0.003 0.000 0.270 393 T C 2.080 176.800 174.700 0.033 0.000 1.175 393 T CA 1.015 63.130 62.100 0.025 0.000 1.073 393 T CB -0.361 68.522 68.868 0.025 0.000 0.840 393 T HN 0.899 nan 8.240 nan 0.000 0.576 394 A N 2.669 125.509 122.820 0.033 0.000 2.026 394 A HA -0.008 4.314 4.320 0.003 0.000 0.210 394 A C 1.267 178.897 177.584 0.077 0.000 1.626 394 A CA 0.591 52.654 52.037 0.043 0.000 1.800 394 A CB -1.289 17.730 19.000 0.032 0.000 0.668 394 A HN 0.785 nan 8.150 nan 0.000 0.674 395 D N 0.109 120.559 120.400 0.084 0.000 1.321 395 D HA -0.239 4.403 4.640 0.003 0.000 0.244 395 D C 1.309 177.676 176.300 0.111 0.000 1.305 395 D CA 2.703 56.779 54.000 0.126 0.000 1.078 395 D CB -0.923 39.941 40.800 0.107 0.000 2.110 395 D HN 1.121 nan 8.370 nan 0.000 0.619 396 T N -5.283 109.331 114.554 0.100 0.000 9.351 396 T HA -0.409 3.943 4.350 0.003 0.000 0.379 396 T C 0.724 175.547 174.700 0.205 0.000 1.718 396 T CA 2.034 64.199 62.100 0.109 0.000 2.622 396 T CB -2.367 66.538 68.868 0.062 0.000 2.809 396 T HN 0.709 nan 8.240 nan 0.000 1.195 397 E N 0.503 120.789 120.200 0.143 0.000 2.558 397 E HA 0.692 5.044 4.350 0.003 0.000 0.205 397 E C 2.161 178.731 176.600 -0.051 0.000 1.006 397 E CA 0.244 56.607 56.400 -0.062 0.000 0.961 397 E CB 0.252 29.745 29.700 -0.345 0.000 1.044 397 E HN 0.687 nan 8.360 nan 0.000 0.465 398 A N 1.415 124.388 122.820 0.255 0.000 1.917 398 A HA -0.245 4.077 4.320 0.003 0.000 0.219 398 A C 1.971 179.682 177.584 0.211 0.000 1.182 398 A CA 1.696 53.915 52.037 0.303 0.000 0.633 398 A CB -0.857 18.280 19.000 0.227 0.000 0.819 398 A HN 0.497 nan 8.150 nan 0.000 0.448 399 F N 0.601 120.534 119.950 -0.028 0.000 2.202 399 F HA -0.086 4.443 4.527 0.004 0.000 0.301 399 F C 1.722 177.424 175.800 -0.162 0.000 1.082 399 F CA 1.432 59.398 58.000 -0.058 0.000 1.313 399 F CB -1.045 37.921 39.000 -0.057 0.000 1.024 399 F HN 0.340 nan 8.300 nan 0.000 0.495 400 E N 0.006 119.430 120.200 -1.293 0.000 2.072 400 E HA -0.110 4.242 4.350 0.003 0.000 0.190 400 E C 2.044 178.327 176.600 -0.529 0.000 0.982 400 E CA 1.284 56.873 56.400 -1.352 0.000 0.803 400 E CB -0.454 28.225 29.700 -1.701 0.000 0.755 400 E HN 0.414 nan 8.360 nan 0.000 0.453 401 F N 0.967 120.779 119.950 -0.230 0.000 2.134 401 F HA -0.207 4.322 4.527 0.003 0.000 0.299 401 F C 2.801 178.640 175.800 0.064 0.000 1.097 401 F CA 1.232 59.238 58.000 0.011 0.000 1.264 401 F CB -0.697 38.286 39.000 -0.028 0.000 1.001 401 F HN -0.035 nan 8.300 nan 0.000 0.479 402 S N -1.133 114.691 115.700 0.206 0.000 2.368 402 S HA -0.183 4.289 4.470 0.003 0.000 0.224 402 S C 2.440 177.114 174.600 0.124 0.000 1.029 402 S CA 1.417 59.712 58.200 0.159 0.000 0.988 402 S CB -0.635 62.648 63.200 0.139 0.000 0.838 402 S HN 0.341 nan 8.310 nan 0.000 0.462 403 S N 0.699 116.452 115.700 0.087 0.000 2.348 403 S HA -0.007 4.465 4.470 0.003 0.000 0.221 403 S C 1.798 176.449 174.600 0.085 0.000 1.033 403 S CA 1.576 59.848 58.200 0.121 0.000 1.010 403 S CB -0.525 62.823 63.200 0.247 0.000 0.891 403 S HN 0.613 nan 8.310 nan 0.000 0.442 404 I N -1.148 119.436 120.570 0.024 0.000 2.333 404 I HA -0.024 4.148 4.170 0.003 0.000 0.246 404 I C 1.332 177.293 176.117 -0.259 0.000 1.106 404 I CA 1.091 62.291 61.300 -0.168 0.000 1.411 404 I CB -0.136 37.647 38.000 -0.362 0.000 1.082 404 I HN 0.340 nan 8.210 nan 0.000 0.420 405 Y N -0.092 120.270 120.300 0.103 0.000 2.453 405 Y HA 0.233 4.785 4.550 0.003 0.000 0.247 405 Y C 0.490 176.438 175.900 0.079 0.000 1.124 405 Y CA -0.721 57.439 58.100 0.100 0.000 1.243 405 Y CB 0.512 39.044 38.460 0.120 0.000 1.213 405 Y HN -0.119 nan 8.280 nan 0.000 0.523 406 K N 0.562 121.085 120.400 0.205 0.000 3.035 406 K HA -0.203 4.119 4.320 0.003 0.000 0.262 406 K C -0.790 175.887 176.600 0.128 0.000 1.024 406 K CA 0.536 56.908 56.287 0.141 0.000 0.748 406 K CB -2.107 30.454 32.500 0.101 0.000 1.247 406 K HN 0.389 nan 8.250 nan 0.000 0.482 407 L N 1.576 122.894 121.223 0.158 0.000 2.265 407 L HA 0.184 4.526 4.340 0.003 0.000 0.288 407 L C 0.697 177.600 176.870 0.056 0.000 1.058 407 L CA -0.538 54.339 54.840 0.062 0.000 0.809 407 L CB 0.734 42.785 42.059 -0.014 0.000 1.179 407 L HN -0.044 nan 8.230 nan 0.000 0.429 408 D N 1.048 121.461 120.400 0.022 0.000 2.313 408 D HA 0.181 4.823 4.640 0.003 0.000 0.247 408 D C 0.243 176.528 176.300 -0.024 0.000 1.094 408 D CA -0.001 54.012 54.000 0.021 0.000 0.925 408 D CB 1.603 42.415 40.800 0.019 0.000 1.188 408 D HN 0.376 nan 8.370 nan 0.000 0.430 409 T N -0.424 114.127 114.554 -0.004 0.000 2.771 409 T HA 0.492 4.844 4.350 0.003 0.000 0.281 409 T C -0.771 173.923 174.700 -0.010 0.000 0.982 409 T CA -0.683 61.397 62.100 -0.033 0.000 0.978 409 T CB 0.466 69.310 68.868 -0.041 0.000 0.930 409 T HN 0.017 nan 8.240 nan 0.000 0.447 410 V N 5.786 125.685 119.914 -0.025 0.000 2.417 410 V HA 0.419 4.541 4.120 0.003 0.000 0.291 410 V C 0.123 176.213 176.094 -0.006 0.000 1.024 410 V CA -0.901 61.395 62.300 -0.007 0.000 0.861 410 V CB 1.758 33.579 31.823 -0.003 0.000 0.985 410 V HN 0.839 nan 8.190 nan 0.000 0.436 411 V N 6.000 125.918 119.914 0.006 0.000 2.372 411 V HA 0.204 4.326 4.120 0.003 0.000 0.261 411 V C 0.256 176.358 176.094 0.013 0.000 1.055 411 V CA -0.327 61.979 62.300 0.010 0.000 0.930 411 V CB 1.134 32.967 31.823 0.017 0.000 1.031 411 V HN 0.623 nan 8.190 nan 0.000 0.479 412 V N 8.820 128.742 119.914 0.014 0.000 2.530 412 V HA 0.271 4.393 4.120 0.003 0.000 0.282 412 V C -1.496 174.611 176.094 0.023 0.000 1.048 412 V CA -1.317 60.997 62.300 0.023 0.000 0.997 412 V CB 1.295 33.135 31.823 0.029 0.000 0.987 412 V HN 0.753 nan 8.190 nan 0.000 0.477 413 P HA 0.192 nan 4.420 nan 0.000 0.272 413 P C -0.136 177.173 177.300 0.015 0.000 1.230 413 P CA -0.204 62.907 63.100 0.017 0.000 0.788 413 P CB 0.332 32.041 31.700 0.015 0.000 0.949 414 T N -1.624 112.933 114.554 0.005 0.000 2.899 414 T HA 0.078 4.430 4.350 0.003 0.000 0.295 414 T C 1.226 175.906 174.700 -0.034 0.000 1.033 414 T CA -0.384 61.712 62.100 -0.006 0.000 1.084 414 T CB 0.379 69.243 68.868 -0.007 0.000 0.979 414 T HN 0.346 nan 8.240 nan 0.000 0.532 415 N N 1.520 120.178 118.700 -0.071 0.000 2.058 415 N HA -0.121 4.621 4.740 0.003 0.000 0.191 415 N C 0.577 175.992 175.510 -0.158 0.000 1.037 415 N CA 1.257 54.203 53.050 -0.173 0.000 0.848 415 N CB -0.121 38.141 38.487 -0.376 0.000 1.021 415 N HN 0.562 nan 8.380 nan 0.000 0.422 416 R N -0.021 120.401 120.500 -0.130 0.000 2.596 416 R HA 0.373 4.715 4.340 0.003 0.000 0.267 416 R C -2.335 173.940 176.300 -0.041 0.000 1.026 416 R CA -1.838 54.213 56.100 -0.081 0.000 1.087 416 R CB 0.364 30.622 30.300 -0.069 0.000 1.132 416 R HN 0.180 nan 8.270 nan 0.000 0.531 417 P HA -0.013 nan 4.420 nan 0.000 0.268 417 P C -0.425 176.871 177.300 -0.006 0.000 1.204 417 P CA 0.130 63.222 63.100 -0.013 0.000 0.768 417 P CB 0.476 32.171 31.700 -0.009 0.000 0.842 418 M N 5.597 125.197 119.600 0.000 0.000 2.201 418 M HA 0.161 4.643 4.480 0.003 0.000 0.345 418 M C 0.393 176.700 176.300 0.010 0.000 1.352 418 M CA -0.421 54.883 55.300 0.008 0.000 1.218 418 M CB -0.713 31.894 32.600 0.012 0.000 1.512 418 M HN 0.325 nan 8.290 nan 0.000 0.447 419 I N 1.191 121.767 120.570 0.011 0.000 3.941 419 I HA 0.326 4.498 4.170 0.003 0.000 0.335 419 I C 0.709 176.836 176.117 0.016 0.000 1.402 419 I CA -0.522 60.784 61.300 0.011 0.000 1.112 419 I CB -0.139 37.863 38.000 0.005 0.000 1.043 419 I HN 0.519 nan 8.210 nan 0.000 0.395 420 R N 3.302 123.816 120.500 0.022 0.000 2.538 420 R HA 0.104 4.446 4.340 0.003 0.000 0.282 420 R C -0.479 175.842 176.300 0.035 0.000 1.009 420 R CA 0.190 56.308 56.100 0.031 0.000 1.063 420 R CB 0.566 30.887 30.300 0.035 0.000 0.945 420 R HN 0.315 nan 8.270 nan 0.000 0.414 421 K N 3.920 124.345 120.400 0.042 0.000 2.263 421 K HA 0.112 4.434 4.320 0.003 0.000 0.282 421 K C -1.068 175.568 176.600 0.059 0.000 1.089 421 K CA -0.441 55.872 56.287 0.044 0.000 0.907 421 K CB 0.965 33.488 32.500 0.038 0.000 1.148 421 K HN 0.464 nan 8.250 nan 0.000 0.470 422 D N 4.365 124.799 120.400 0.057 0.000 2.380 422 D HA 0.166 4.808 4.640 0.003 0.000 0.230 422 D C 0.161 176.498 176.300 0.063 0.000 1.154 422 D CA -0.151 53.892 54.000 0.073 0.000 0.859 422 D CB 0.888 41.736 40.800 0.080 0.000 1.045 422 D HN 0.229 nan 8.370 nan 0.000 0.495 423 L N 3.002 124.265 121.223 0.066 0.000 2.399 423 L HA 0.364 4.706 4.340 0.003 0.000 0.265 423 L C -1.958 174.927 176.870 0.024 0.000 1.089 423 L CA -1.917 52.947 54.840 0.041 0.000 0.802 423 L CB 0.409 42.498 42.059 0.051 0.000 1.180 423 L HN 0.032 nan 8.230 nan 0.000 0.454 424 P HA 0.028 nan 4.420 nan 0.000 0.265 424 P C -1.128 176.136 177.300 -0.059 0.000 1.193 424 P CA -0.246 62.833 63.100 -0.034 0.000 0.765 424 P CB 0.244 31.908 31.700 -0.060 0.000 0.823 425 D N 1.870 122.241 120.400 -0.049 0.000 2.478 425 D HA 0.046 4.688 4.640 0.003 0.000 0.234 425 D C 0.118 176.336 176.300 -0.138 0.000 1.154 425 D CA 0.818 54.776 54.000 -0.071 0.000 0.874 425 D CB 0.137 40.909 40.800 -0.047 0.000 1.198 425 D HN 0.201 nan 8.370 nan 0.000 0.455 426 L N 0.948 122.071 121.223 -0.168 0.000 2.362 426 L HA 0.608 4.950 4.340 0.003 0.000 0.271 426 L C -0.700 176.110 176.870 -0.099 0.000 1.002 426 L CA -1.032 53.697 54.840 -0.185 0.000 0.818 426 L CB 2.073 44.026 42.059 -0.178 0.000 1.298 426 L HN 0.012 nan 8.230 nan 0.000 0.420 427 V N 2.170 121.913 119.914 -0.285 0.000 2.577 427 V HA 0.497 4.619 4.120 0.003 0.000 0.303 427 V C -1.200 174.676 176.094 -0.364 0.000 1.042 427 V CA -0.654 61.549 62.300 -0.162 0.000 0.872 427 V CB 1.835 33.577 31.823 -0.135 0.000 0.998 427 V HN 0.469 nan 8.190 nan 0.000 0.423 428 Y N 2.432 122.762 120.300 0.051 0.000 2.562 428 Y HA 0.467 5.019 4.550 0.003 0.000 0.343 428 Y C 0.951 176.875 175.900 0.039 0.000 1.025 428 Y CA -0.960 57.171 58.100 0.052 0.000 1.082 428 Y CB 1.854 40.357 38.460 0.073 0.000 1.264 428 Y HN 0.577 nan 8.280 nan 0.000 0.478 429 M N 0.822 120.531 119.600 0.181 0.000 2.066 429 M HA -0.057 4.425 4.480 0.003 0.000 0.259 429 M C 0.684 177.047 176.300 0.105 0.000 1.074 429 M CA 1.904 57.267 55.300 0.106 0.000 1.114 429 M CB -0.463 32.192 32.600 0.091 0.000 1.306 429 M HN 0.762 nan 8.290 nan 0.000 0.411 430 T N -2.932 111.690 114.554 0.113 0.000 2.940 430 T HA 0.319 4.671 4.350 0.003 0.000 0.288 430 T C 0.909 175.650 174.700 0.069 0.000 1.033 430 T CA -0.856 61.289 62.100 0.075 0.000 1.033 430 T CB 1.489 70.387 68.868 0.051 0.000 1.079 430 T HN 0.231 nan 8.240 nan 0.000 0.496 431 E N 0.822 121.047 120.200 0.042 0.000 2.070 431 E HA -0.214 4.138 4.350 0.003 0.000 0.197 431 E C 2.311 178.898 176.600 -0.021 0.000 1.004 431 E CA 1.781 58.191 56.400 0.016 0.000 0.805 431 E CB -0.578 29.127 29.700 0.009 0.000 0.744 431 E HN 0.838 nan 8.360 nan 0.000 0.451 432 A N 0.947 123.756 122.820 -0.018 0.000 1.930 432 A HA -0.190 4.132 4.320 0.003 0.000 0.217 432 A C 1.967 179.512 177.584 -0.065 0.000 1.175 432 A CA 1.486 53.499 52.037 -0.039 0.000 0.627 432 A CB -0.359 18.629 19.000 -0.020 0.000 0.815 432 A HN 0.229 nan 8.150 nan 0.000 0.443 433 E N -0.346 119.831 120.200 -0.039 0.000 2.072 433 E HA -0.184 4.168 4.350 0.003 0.000 0.191 433 E C 2.037 178.455 176.600 -0.303 0.000 0.985 433 E CA 1.231 57.586 56.400 -0.075 0.000 0.801 433 E CB -0.142 29.598 29.700 0.067 0.000 0.750 433 E HN 0.658 nan 8.360 nan 0.000 0.452 434 K N 0.767 121.003 120.400 -0.274 0.000 2.074 434 K HA -0.202 4.120 4.320 0.003 0.000 0.209 434 K C 1.952 178.308 176.600 -0.407 0.000 1.048 434 K CA 1.274 57.303 56.287 -0.430 0.000 0.926 434 K CB 0.054 32.511 32.500 -0.071 0.000 0.713 434 K HN 0.039 nan 8.250 nan 0.000 0.444 435 I N 0.986 121.403 120.570 -0.256 0.000 2.235 435 I HA -0.172 4.000 4.170 0.003 0.000 0.241 435 I C 2.450 178.423 176.117 -0.240 0.000 1.085 435 I CA 1.202 62.364 61.300 -0.230 0.000 1.378 435 I CB -1.283 36.631 38.000 -0.143 0.000 1.076 435 I HN 0.287 nan 8.210 nan 0.000 0.415 436 Q N 1.116 120.798 119.800 -0.198 0.000 2.197 436 Q HA -0.164 4.178 4.340 0.003 0.000 0.207 436 Q C 2.172 178.056 176.000 -0.193 0.000 0.984 436 Q CA 2.246 57.950 55.803 -0.165 0.000 0.869 436 Q CB -0.217 28.451 28.738 -0.117 0.000 0.906 436 Q HN 0.508 nan 8.270 nan 0.000 0.426 437 A N -0.480 122.159 122.820 -0.301 0.000 1.930 437 A HA -0.056 4.266 4.320 0.003 0.000 0.215 437 A C 2.003 179.449 177.584 -0.229 0.000 1.176 437 A CA 0.966 52.876 52.037 -0.212 0.000 0.632 437 A CB -0.486 18.319 19.000 -0.325 0.000 0.819 437 A HN 0.433 nan 8.150 nan 0.000 0.445 438 I N 0.172 120.450 120.570 -0.487 0.000 2.264 438 I HA -0.261 3.911 4.170 0.003 0.000 0.248 438 I C 2.057 178.010 176.117 -0.272 0.000 1.111 438 I CA 0.965 61.916 61.300 -0.581 0.000 1.382 438 I CB -0.197 37.402 38.000 -0.669 0.000 1.060 438 I HN 0.260 nan 8.210 nan 0.000 0.418 439 I N 0.299 120.747 120.570 -0.204 0.000 2.277 439 I HA -0.205 3.967 4.170 0.003 0.000 0.243 439 I C 2.559 178.624 176.117 -0.087 0.000 1.094 439 I CA 1.333 62.553 61.300 -0.134 0.000 1.393 439 I CB -1.290 36.640 38.000 -0.117 0.000 1.078 439 I HN 0.244 nan 8.210 nan 0.000 0.417 440 E N 1.402 121.559 120.200 -0.073 0.000 2.153 440 E HA -0.256 4.096 4.350 0.003 0.000 0.194 440 E C 1.799 178.390 176.600 -0.016 0.000 0.988 440 E CA 1.461 57.840 56.400 -0.034 0.000 0.811 440 E CB -0.172 29.517 29.700 -0.018 0.000 0.746 440 E HN 0.344 nan 8.360 nan 0.000 0.466 441 D N 0.176 120.574 120.400 -0.005 0.000 2.087 441 D HA -0.163 4.479 4.640 0.003 0.000 0.192 441 D C 1.952 178.252 176.300 -0.001 0.000 0.993 441 D CA 1.653 55.672 54.000 0.032 0.000 0.828 441 D CB -0.315 40.564 40.800 0.131 0.000 0.968 441 D HN 0.348 nan 8.370 nan 0.000 0.448 442 I N 0.139 120.704 120.570 -0.008 0.000 2.248 442 I HA -0.265 3.907 4.170 0.003 0.000 0.248 442 I C 2.561 178.670 176.117 -0.014 0.000 1.107 442 I CA 1.094 62.390 61.300 -0.007 0.000 1.373 442 I CB -0.254 37.724 38.000 -0.037 0.000 1.055 442 I HN 0.068 nan 8.210 nan 0.000 0.418 443 K N 1.046 121.433 120.400 -0.022 0.000 2.062 443 K HA -0.160 4.162 4.320 0.003 0.000 0.205 443 K C 1.946 178.536 176.600 -0.016 0.000 1.051 443 K CA 1.322 57.599 56.287 -0.017 0.000 0.941 443 K CB 0.099 32.587 32.500 -0.019 0.000 0.719 443 K HN 0.317 nan 8.250 nan 0.000 0.440 444 E N -0.175 120.012 120.200 -0.022 0.000 2.107 444 E HA -0.098 4.254 4.350 0.003 0.000 0.191 444 E C 2.122 178.700 176.600 -0.037 0.000 0.982 444 E CA 0.708 57.092 56.400 -0.026 0.000 0.809 444 E CB 0.125 29.808 29.700 -0.027 0.000 0.756 444 E HN 0.204 nan 8.360 nan 0.000 0.459 445 R N 0.347 120.819 120.500 -0.048 0.000 2.092 445 R HA -0.079 4.263 4.340 0.003 0.000 0.231 445 R C 2.631 178.914 176.300 -0.029 0.000 1.119 445 R CA 1.806 57.870 56.100 -0.059 0.000 0.970 445 R CB -0.381 29.865 30.300 -0.089 0.000 0.864 445 R HN 0.288 nan 8.270 nan 0.000 0.440 446 T N -1.346 113.202 114.554 -0.010 0.000 2.857 446 T HA 0.031 4.383 4.350 0.003 0.000 0.266 446 T C 2.081 176.783 174.700 0.003 0.000 1.048 446 T CA 0.896 63.000 62.100 0.008 0.000 1.139 446 T CB -0.135 68.745 68.868 0.020 0.000 0.874 446 T HN 0.191 nan 8.240 nan 0.000 0.455 447 A N 1.873 124.690 122.820 -0.005 0.000 2.125 447 A HA 0.016 4.338 4.320 0.003 0.000 0.219 447 A C 2.155 179.730 177.584 -0.014 0.000 1.156 447 A CA 1.047 53.080 52.037 -0.007 0.000 0.671 447 A CB -0.495 18.499 19.000 -0.009 0.000 0.794 447 A HN 0.593 nan 8.150 nan 0.000 0.459 448 K N -1.723 118.664 120.400 -0.022 0.000 2.358 448 K HA 0.293 4.615 4.320 0.003 0.000 0.197 448 K C 0.888 177.468 176.600 -0.033 0.000 1.025 448 K CA 0.417 56.686 56.287 -0.030 0.000 1.104 448 K CB 0.292 32.769 32.500 -0.040 0.000 0.855 448 K HN 0.566 nan 8.250 nan 0.000 0.531 449 G N 2.150 110.937 108.800 -0.022 0.000 2.141 449 G HA2 -0.308 3.654 3.960 0.003 0.000 0.242 449 G HA3 -0.308 3.654 3.960 0.003 0.000 0.242 449 G C -0.170 174.715 174.900 -0.026 0.000 0.982 449 G CA -0.038 45.049 45.100 -0.021 0.000 0.662 449 G HN 0.394 nan 8.290 nan 0.000 0.527 450 Q N 1.139 120.926 119.800 -0.022 0.000 2.267 450 Q HA 0.526 4.868 4.340 0.003 0.000 0.255 450 Q C -2.187 173.823 176.000 0.017 0.000 0.923 450 Q CA -1.982 53.810 55.803 -0.018 0.000 0.925 450 Q CB 1.837 30.555 28.738 -0.034 0.000 1.195 450 Q HN 0.304 nan 8.270 nan 0.000 0.417 451 P HA 0.190 nan 4.420 nan 0.000 0.282 451 P C -1.189 176.156 177.300 0.076 0.000 1.259 451 P CA -0.385 62.751 63.100 0.061 0.000 0.826 451 P CB 1.397 33.139 31.700 0.070 0.000 1.064 452 V N 2.665 122.626 119.914 0.078 0.000 2.638 452 V HA 0.353 4.475 4.120 0.003 0.000 0.306 452 V C -0.101 176.019 176.094 0.043 0.000 1.052 452 V CA -0.753 61.597 62.300 0.082 0.000 0.885 452 V CB 1.757 33.639 31.823 0.097 0.000 0.999 452 V HN 0.431 nan 8.190 nan 0.000 0.424 453 L N 5.861 127.090 121.223 0.011 0.000 2.322 453 L HA 0.805 5.147 4.340 0.003 0.000 0.281 453 L C -0.742 176.094 176.870 -0.057 0.000 1.014 453 L CA -0.030 54.803 54.840 -0.012 0.000 0.815 453 L CB 1.820 43.874 42.059 -0.008 0.000 1.247 453 L HN 0.466 nan 8.230 nan 0.000 0.421 454 V N 4.572 124.460 119.914 -0.044 0.000 2.444 454 V HA 0.746 4.869 4.120 0.003 0.000 0.294 454 V C 0.464 176.534 176.094 -0.039 0.000 1.022 454 V CA -0.366 61.894 62.300 -0.066 0.000 0.850 454 V CB 1.287 33.067 31.823 -0.072 0.000 0.992 454 V HN 0.911 nan 8.190 nan 0.000 0.426 455 G N 2.631 111.408 108.800 -0.039 0.000 2.372 455 G HA2 0.695 4.657 3.960 0.003 0.000 0.323 455 G HA3 0.695 4.657 3.960 0.003 0.000 0.323 455 G C -0.181 174.746 174.900 0.044 0.000 1.152 455 G CA -0.205 44.906 45.100 0.017 0.000 0.906 455 G HN 0.781 nan 8.290 nan 0.000 0.460 456 T N -0.367 114.223 114.554 0.061 0.000 2.910 456 T HA 0.534 4.886 4.350 0.003 0.000 0.287 456 T C 1.297 176.047 174.700 0.083 0.000 1.050 456 T CA -0.668 61.463 62.100 0.052 0.000 1.011 456 T CB 1.678 70.558 68.868 0.020 0.000 1.195 456 T HN 0.688 nan 8.240 nan 0.000 0.540 457 I N -1.245 119.342 120.570 0.029 0.000 3.941 457 I HA 0.327 4.499 4.170 0.003 0.000 0.321 457 I C 0.438 176.576 176.117 0.034 0.000 1.284 457 I CA -0.292 61.013 61.300 0.009 0.000 1.226 457 I CB -0.088 37.810 38.000 -0.171 0.000 1.045 457 I HN 0.710 nan 8.210 nan 0.000 0.420 458 S N -0.365 115.351 115.700 0.026 0.000 2.638 458 S HA 0.487 4.959 4.470 0.003 0.000 0.274 458 S C 0.218 174.835 174.600 0.028 0.000 1.157 458 S CA -0.667 57.550 58.200 0.027 0.000 0.826 458 S CB 1.946 65.155 63.200 0.015 0.000 1.139 458 S HN -0.019 nan 8.310 nan 0.000 0.474 459 I N 1.608 122.196 120.570 0.030 0.000 2.202 459 I HA -0.030 4.142 4.170 0.003 0.000 0.242 459 I C 2.301 178.434 176.117 0.027 0.000 1.091 459 I CA 1.651 62.971 61.300 0.034 0.000 1.368 459 I CB -0.587 37.434 38.000 0.035 0.000 1.058 459 I HN 0.803 nan 8.210 nan 0.000 0.410 460 E N 0.146 120.358 120.200 0.020 0.000 2.077 460 E HA -0.218 4.134 4.350 0.003 0.000 0.193 460 E C 2.115 178.719 176.600 0.007 0.000 0.989 460 E CA 1.022 57.431 56.400 0.014 0.000 0.800 460 E CB -0.226 29.481 29.700 0.011 0.000 0.746 460 E HN 0.188 nan 8.360 nan 0.000 0.452 461 K N 0.291 120.693 120.400 0.004 0.000 2.057 461 K HA 0.004 4.326 4.320 0.003 0.000 0.207 461 K C 2.191 178.787 176.600 -0.007 0.000 1.049 461 K CA 1.274 57.558 56.287 -0.005 0.000 0.931 461 K CB -0.423 32.073 32.500 -0.006 0.000 0.714 461 K HN -0.025 nan 8.250 nan 0.000 0.440 462 S N 1.080 116.784 115.700 0.007 0.000 2.383 462 S HA -0.171 4.301 4.470 0.003 0.000 0.229 462 S C 1.549 176.156 174.600 0.011 0.000 1.030 462 S CA 1.511 59.717 58.200 0.010 0.000 1.002 462 S CB -0.300 62.919 63.200 0.031 0.000 0.829 462 S HN 0.411 nan 8.310 nan 0.000 0.467 463 E N 0.553 120.764 120.200 0.018 0.000 2.208 463 E HA -0.038 4.314 4.350 0.003 0.000 0.193 463 E C 1.989 178.591 176.600 0.003 0.000 0.988 463 E CA 0.451 56.864 56.400 0.022 0.000 0.828 463 E CB -0.212 29.505 29.700 0.027 0.000 0.763 463 E HN 0.285 nan 8.360 nan 0.000 0.478 464 L N 1.117 122.334 121.223 -0.011 0.000 2.005 464 L HA -0.102 4.240 4.340 0.003 0.000 0.207 464 L C 2.351 179.190 176.870 -0.052 0.000 1.072 464 L CA 1.267 56.092 54.840 -0.026 0.000 0.744 464 L CB -0.615 41.427 42.059 -0.028 0.000 0.895 464 L HN 0.013 nan 8.230 nan 0.000 0.433 465 V N -1.190 118.680 119.914 -0.072 0.000 2.287 465 V HA -0.319 3.803 4.120 0.003 0.000 0.248 465 V C 2.742 178.737 176.094 -0.166 0.000 1.053 465 V CA 2.356 64.584 62.300 -0.121 0.000 1.027 465 V CB -0.395 31.351 31.823 -0.128 0.000 0.646 465 V HN 0.770 nan 8.190 nan 0.000 0.447 466 S N 0.165 115.786 115.700 -0.132 0.000 2.359 466 S HA -0.254 4.218 4.470 0.003 0.000 0.224 466 S C 1.810 176.404 174.600 -0.010 0.000 1.035 466 S CA 2.361 60.486 58.200 -0.126 0.000 1.018 466 S CB -0.718 62.545 63.200 0.105 0.000 0.876 466 S HN 0.762 nan 8.310 nan 0.000 0.448 467 N N 1.276 119.983 118.700 0.012 0.000 2.120 467 N HA -0.018 4.724 4.740 0.003 0.000 0.188 467 N C 1.790 177.298 175.510 -0.005 0.000 1.024 467 N CA 1.401 54.465 53.050 0.024 0.000 0.852 467 N CB -0.324 38.171 38.487 0.013 0.000 1.003 467 N HN 0.438 nan 8.380 nan 0.000 0.424 468 E N 0.411 120.585 120.200 -0.045 0.000 2.150 468 E HA -0.050 4.302 4.350 0.003 0.000 0.193 468 E C 2.046 178.605 176.600 -0.068 0.000 0.985 468 E CA 0.292 56.659 56.400 -0.055 0.000 0.814 468 E CB -0.204 29.450 29.700 -0.077 0.000 0.752 468 E HN 0.421 nan 8.360 nan 0.000 0.466 469 L N 0.636 121.784 121.223 -0.125 0.000 2.079 469 L HA -0.182 4.160 4.340 0.003 0.000 0.210 469 L C 2.375 179.260 176.870 0.025 0.000 1.081 469 L CA 1.432 56.194 54.840 -0.131 0.000 0.752 469 L CB -0.511 41.290 42.059 -0.431 0.000 0.896 469 L HN 0.123 nan 8.230 nan 0.000 0.433 470 T N -1.090 113.523 114.554 0.099 0.000 2.896 470 T HA -0.180 4.172 4.350 0.003 0.000 0.263 470 T C 1.861 176.588 174.700 0.044 0.000 1.050 470 T CA 1.093 63.260 62.100 0.112 0.000 1.140 470 T CB -0.040 68.900 68.868 0.121 0.000 0.877 470 T HN 0.254 nan 8.240 nan 0.000 0.457 471 K N 1.573 121.986 120.400 0.021 0.000 2.103 471 K HA -0.010 4.312 4.320 0.003 0.000 0.207 471 K C 2.173 178.773 176.600 0.000 0.000 1.048 471 K CA 1.281 57.571 56.287 0.005 0.000 0.930 471 K CB -0.271 32.226 32.500 -0.006 0.000 0.716 471 K HN 0.280 nan 8.250 nan 0.000 0.444 472 A N 0.106 122.923 122.820 -0.005 0.000 2.235 472 A HA 0.170 4.492 4.320 0.003 0.000 0.208 472 A C 1.366 178.952 177.584 0.004 0.000 1.172 472 A CA 0.881 52.913 52.037 -0.008 0.000 0.786 472 A CB -0.496 18.490 19.000 -0.023 0.000 0.804 472 A HN 0.627 nan 8.150 nan 0.000 0.479 473 G N -1.118 107.692 108.800 0.018 0.000 2.141 473 G HA2 -0.209 3.753 3.960 0.003 0.000 0.242 473 G HA3 -0.209 3.753 3.960 0.003 0.000 0.242 473 G C 0.003 174.926 174.900 0.037 0.000 0.982 473 G CA 0.202 45.315 45.100 0.022 0.000 0.662 473 G HN 0.520 nan 8.290 nan 0.000 0.527 474 I N 1.898 122.504 120.570 0.060 0.000 2.307 474 I HA 0.283 4.455 4.170 0.003 0.000 0.289 474 I C 0.587 176.825 176.117 0.202 0.000 1.021 474 I CA -0.930 60.422 61.300 0.087 0.000 1.224 474 I CB 1.035 39.062 38.000 0.045 0.000 1.376 474 I HN -0.102 nan 8.210 nan 0.000 0.470 475 K N 7.000 127.469 120.400 0.116 0.000 2.448 475 K HA 0.218 4.540 4.320 0.003 0.000 0.278 475 K C -0.193 176.493 176.600 0.144 0.000 1.009 475 K CA 0.074 56.403 56.287 0.069 0.000 0.995 475 K CB 0.378 32.875 32.500 -0.006 0.000 0.917 475 K HN 0.731 nan 8.250 nan 0.000 0.481 476 H N -0.277 118.786 119.070 -0.013 0.000 2.902 476 H HA 0.367 4.925 4.556 0.003 0.000 0.297 476 H C -1.358 173.963 175.328 -0.012 0.000 1.406 476 H CA -1.059 54.984 56.048 -0.008 0.000 1.134 476 H CB 0.858 30.615 29.762 -0.008 0.000 1.833 476 H HN 0.528 nan 8.280 nan 0.000 0.527 477 N N -0.185 118.552 118.700 0.062 0.000 2.258 477 N HA 0.438 5.181 4.740 0.003 0.000 0.299 477 N C -1.093 174.497 175.510 0.133 0.000 1.047 477 N CA -0.740 52.320 53.050 0.016 0.000 0.814 477 N CB 3.183 41.670 38.487 0.001 0.000 1.413 477 N HN 0.306 nan 8.380 nan 0.000 0.478 478 V N 2.341 122.326 119.914 0.118 0.000 2.509 478 V HA 0.212 4.334 4.120 0.003 0.000 0.284 478 V C 0.301 176.447 176.094 0.086 0.000 1.047 478 V CA -0.653 61.717 62.300 0.117 0.000 0.952 478 V CB 1.008 32.902 31.823 0.118 0.000 0.988 478 V HN 0.552 nan 8.190 nan 0.000 0.469 479 L N 5.054 126.325 121.223 0.080 0.000 2.448 479 L HA 0.196 4.538 4.340 0.003 0.000 0.278 479 L C 0.777 177.710 176.870 0.106 0.000 1.201 479 L CA -0.009 54.880 54.840 0.080 0.000 1.036 479 L CB -0.358 41.734 42.059 0.055 0.000 1.325 479 L HN 0.633 nan 8.230 nan 0.000 0.441 480 N N 2.187 120.980 118.700 0.155 0.000 2.420 480 N HA 0.082 4.824 4.740 0.003 0.000 0.262 480 N C 0.878 176.516 175.510 0.213 0.000 1.144 480 N CA 0.108 53.282 53.050 0.206 0.000 0.952 480 N CB 1.795 40.478 38.487 0.327 0.000 1.081 480 N HN 0.580 nan 8.380 nan 0.000 0.480 481 A N 4.586 127.491 122.820 0.143 0.000 2.178 481 A HA -0.108 4.214 4.320 0.003 0.000 0.218 481 A C 1.831 179.534 177.584 0.199 0.000 1.157 481 A CA 1.145 53.283 52.037 0.168 0.000 0.689 481 A CB -0.106 18.956 19.000 0.103 0.000 0.787 481 A HN 0.741 nan 8.150 nan 0.000 0.465 482 K N -1.599 118.770 120.400 -0.052 0.000 2.418 482 K HA 0.084 4.406 4.320 0.003 0.000 0.195 482 K C -0.939 175.135 176.600 -0.877 0.000 1.035 482 K CA 0.413 56.390 56.287 -0.516 0.000 1.003 482 K CB 0.084 32.122 32.500 -0.770 0.000 0.793 482 K HN 0.517 nan 8.250 nan 0.000 0.494 483 F N -0.075 119.900 119.950 0.041 0.000 2.809 483 F HA 0.248 4.777 4.527 0.003 0.000 0.369 483 F C 0.574 176.459 175.800 0.141 0.000 1.225 483 F CA -0.719 57.294 58.000 0.022 0.000 1.201 483 F CB 0.402 39.413 39.000 0.018 0.000 1.527 483 F HN 0.006 nan 8.300 nan 0.000 0.565 484 H N 0.286 119.408 119.070 0.087 0.000 2.524 484 H HA -0.013 4.545 4.556 0.003 0.000 0.282 484 H C 1.959 177.319 175.328 0.053 0.000 1.016 484 H CA 0.710 56.788 56.048 0.050 0.000 1.270 484 H CB 0.588 30.354 29.762 0.006 0.000 1.394 484 H HN 0.639 nan 8.280 nan 0.000 0.568 485 A N 1.206 124.137 122.820 0.185 0.000 1.935 485 A HA -0.120 4.202 4.320 0.003 0.000 0.214 485 A C 1.975 179.613 177.584 0.090 0.000 1.178 485 A CA 0.774 52.876 52.037 0.109 0.000 0.640 485 A CB -0.013 19.035 19.000 0.080 0.000 0.825 485 A HN 0.305 nan 8.150 nan 0.000 0.447 486 N N 0.676 119.447 118.700 0.118 0.000 2.084 486 N HA -0.152 4.590 4.740 0.003 0.000 0.190 486 N C 1.561 177.116 175.510 0.074 0.000 1.030 486 N CA 1.649 54.743 53.050 0.074 0.000 0.849 486 N CB -0.512 38.015 38.487 0.067 0.000 1.012 486 N HN 0.642 nan 8.380 nan 0.000 0.423 487 E N 0.684 120.954 120.200 0.115 0.000 2.058 487 E HA -0.132 4.220 4.350 0.003 0.000 0.194 487 E C 1.808 178.436 176.600 0.047 0.000 0.997 487 E CA 1.355 57.804 56.400 0.082 0.000 0.801 487 E CB -0.161 29.588 29.700 0.082 0.000 0.746 487 E HN 0.395 nan 8.360 nan 0.000 0.450 488 A N 1.077 123.924 122.820 0.045 0.000 2.066 488 A HA 0.041 4.363 4.320 0.003 0.000 0.218 488 A C 2.279 179.876 177.584 0.021 0.000 1.157 488 A CA 1.266 53.318 52.037 0.024 0.000 0.670 488 A CB -0.302 18.709 19.000 0.019 0.000 0.804 488 A HN 0.276 nan 8.150 nan 0.000 0.453 489 A N 0.100 122.935 122.820 0.024 0.000 1.929 489 A HA 0.002 4.324 4.320 0.003 0.000 0.216 489 A C 2.030 179.623 177.584 0.014 0.000 1.176 489 A CA 1.313 53.358 52.037 0.013 0.000 0.628 489 A CB -0.492 18.511 19.000 0.005 0.000 0.816 489 A HN 0.479 nan 8.150 nan 0.000 0.444 490 I N -0.528 120.054 120.570 0.019 0.000 2.252 490 I HA -0.183 3.989 4.170 0.003 0.000 0.245 490 I C 2.200 178.337 176.117 0.033 0.000 1.102 490 I CA 0.969 62.282 61.300 0.021 0.000 1.385 490 I CB -0.240 37.776 38.000 0.026 0.000 1.064 490 I HN 0.121 nan 8.210 nan 0.000 0.414 491 V N 1.010 120.943 119.914 0.033 0.000 2.759 491 V HA -0.235 3.887 4.120 0.003 0.000 0.256 491 V C 2.589 178.713 176.094 0.050 0.000 1.080 491 V CA 1.569 63.892 62.300 0.038 0.000 1.101 491 V CB -0.898 30.940 31.823 0.025 0.000 0.698 491 V HN 0.459 nan 8.190 nan 0.000 0.477 492 A N -0.121 122.726 122.820 0.046 0.000 1.834 492 A HA -0.265 4.057 4.320 0.003 0.000 0.216 492 A C 1.968 179.612 177.584 0.100 0.000 1.203 492 A CA 1.643 53.715 52.037 0.058 0.000 0.621 492 A CB -0.512 18.512 19.000 0.039 0.000 0.841 492 A HN 0.585 nan 8.150 nan 0.000 0.446 493 Q N -0.285 119.571 119.800 0.093 0.000 2.387 493 Q HA 0.259 4.601 4.340 0.003 0.000 0.211 493 Q C 1.668 177.761 176.000 0.154 0.000 0.952 493 Q CA 0.277 56.162 55.803 0.137 0.000 0.957 493 Q CB -0.225 28.526 28.738 0.022 0.000 1.002 493 Q HN 0.672 nan 8.270 nan 0.000 0.502 494 A N 0.468 123.362 122.820 0.123 0.000 2.014 494 A HA 0.007 4.329 4.320 0.003 0.000 0.218 494 A C 1.982 179.640 177.584 0.124 0.000 1.163 494 A CA 1.207 53.307 52.037 0.106 0.000 0.652 494 A CB -0.187 18.859 19.000 0.077 0.000 0.808 494 A HN 0.444 nan 8.150 nan 0.000 0.449 495 G N -2.367 106.522 108.800 0.149 0.000 3.141 495 G HA2 0.244 4.206 3.960 0.003 0.000 0.218 495 G HA3 0.244 4.206 3.960 0.003 0.000 0.218 495 G C 0.247 175.239 174.900 0.153 0.000 1.170 495 G CA -0.317 44.865 45.100 0.136 0.000 0.769 495 G HN 0.457 nan 8.290 nan 0.000 0.546 496 Y N 1.627 121.971 120.300 0.073 0.000 2.480 496 Y HA 0.285 4.837 4.550 0.003 0.000 0.338 496 Y C -1.787 174.131 175.900 0.030 0.000 1.220 496 Y CA -2.008 56.129 58.100 0.062 0.000 1.430 496 Y CB 0.889 39.390 38.460 0.069 0.000 1.311 496 Y HN -0.031 nan 8.280 nan 0.000 0.575 497 P HA -0.021 nan 4.420 nan 0.000 0.260 497 P C -0.209 177.188 177.300 0.163 0.000 1.172 497 P CA 1.891 64.994 63.100 0.004 0.000 0.760 497 P CB 0.410 32.042 31.700 -0.113 0.000 0.773 498 A N 2.373 125.247 122.820 0.090 0.000 3.153 498 A HA -0.159 4.163 4.320 0.003 0.000 0.265 498 A C 0.902 178.545 177.584 0.099 0.000 1.212 498 A CA 0.838 52.923 52.037 0.080 0.000 1.018 498 A CB -2.364 16.678 19.000 0.070 0.000 1.130 498 A HN 0.781 nan 8.150 nan 0.000 0.873 499 A N -0.515 122.384 122.820 0.132 0.000 2.498 499 A HA 0.501 4.823 4.320 0.003 0.000 0.239 499 A C 0.301 177.939 177.584 0.090 0.000 1.068 499 A CA 0.941 53.047 52.037 0.115 0.000 0.766 499 A CB 0.275 19.359 19.000 0.140 0.000 1.003 499 A HN 1.507 nan 8.150 nan 0.000 0.497 500 V N 2.582 122.549 119.914 0.089 0.000 2.577 500 V HA 0.559 4.681 4.120 0.003 0.000 0.303 500 V C -0.129 176.027 176.094 0.105 0.000 1.042 500 V CA -0.410 61.943 62.300 0.088 0.000 0.872 500 V CB 1.916 33.792 31.823 0.088 0.000 0.998 500 V HN 0.959 nan 8.190 nan 0.000 0.423 501 T N 5.757 120.355 114.554 0.073 0.000 2.848 501 T HA 0.614 4.966 4.350 0.003 0.000 0.285 501 T C -0.638 174.089 174.700 0.044 0.000 0.995 501 T CA -0.404 61.739 62.100 0.071 0.000 0.970 501 T CB 1.492 70.393 68.868 0.055 0.000 0.976 501 T HN 0.332 nan 8.240 nan 0.000 0.441 502 I N 2.821 123.425 120.570 0.057 0.000 2.312 502 I HA 0.619 4.791 4.170 0.003 0.000 0.290 502 I C 0.368 176.508 176.117 0.038 0.000 1.008 502 I CA -1.288 60.029 61.300 0.029 0.000 1.226 502 I CB 0.273 38.287 38.000 0.024 0.000 1.371 502 I HN 0.719 nan 8.210 nan 0.000 0.468 503 A N 5.065 127.902 122.820 0.027 0.000 2.330 503 A HA 0.768 5.090 4.320 0.003 0.000 0.327 503 A C 0.058 177.666 177.584 0.040 0.000 1.155 503 A CA -0.430 51.627 52.037 0.033 0.000 0.803 503 A CB 0.789 19.804 19.000 0.026 0.000 1.208 503 A HN 0.645 nan 8.150 nan 0.000 0.477 504 T N 2.555 117.137 114.554 0.046 0.000 2.799 504 T HA 0.271 4.623 4.350 0.003 0.000 0.286 504 T C 0.277 175.018 174.700 0.067 0.000 0.973 504 T CA -0.290 61.844 62.100 0.057 0.000 1.035 504 T CB 0.297 69.197 68.868 0.052 0.000 0.932 504 T HN 0.693 nan 8.240 nan 0.000 0.469 505 N N 2.520 121.285 118.700 0.109 0.000 2.722 505 N HA -0.168 4.574 4.740 0.003 0.000 0.274 505 N C -0.204 175.339 175.510 0.056 0.000 0.987 505 N CA 0.466 53.593 53.050 0.128 0.000 0.817 505 N CB -0.597 37.968 38.487 0.129 0.000 0.921 505 N HN 0.694 nan 8.380 nan 0.000 0.565 506 M N 0.693 120.323 119.600 0.049 0.000 2.246 506 M HA 0.092 4.574 4.480 0.003 0.000 0.350 506 M C 1.139 177.432 176.300 -0.012 0.000 1.406 506 M CA 0.095 55.405 55.300 0.017 0.000 1.089 506 M CB 0.512 33.126 32.600 0.023 0.000 1.782 506 M HN 0.406 nan 8.290 nan 0.000 0.457 507 A N 4.380 127.189 122.820 -0.018 0.000 2.261 507 A HA 0.518 4.840 4.320 0.003 0.000 0.275 507 A C 0.657 178.223 177.584 -0.030 0.000 1.246 507 A CA 0.043 52.062 52.037 -0.030 0.000 0.810 507 A CB -0.492 18.493 19.000 -0.025 0.000 1.168 507 A HN 0.927 nan 8.150 nan 0.000 0.506 508 G N -2.806 105.977 108.800 -0.028 0.000 2.544 508 G HA2 0.417 4.379 3.960 0.003 0.000 0.242 508 G HA3 0.417 4.379 3.960 0.003 0.000 0.242 508 G C 0.699 175.593 174.900 -0.010 0.000 1.247 508 G CA 0.934 46.023 45.100 -0.019 0.000 0.840 508 G HN 1.619 nan 8.290 nan 0.000 0.578 509 R N 0.230 120.729 120.500 -0.002 0.000 1.186 509 R HA -0.174 4.168 4.340 0.003 0.000 0.013 509 R C 1.650 177.952 176.300 0.004 0.000 0.961 509 R CA 2.766 58.867 56.100 0.003 0.000 1.987 509 R CB -1.823 28.477 30.300 -0.000 0.000 0.120 509 R HN 2.798 nan 8.270 nan 0.000 0.732 510 G N -0.750 108.048 108.800 -0.002 0.000 2.649 510 G HA2 -0.324 3.638 3.960 0.003 0.000 0.413 510 G HA3 -0.324 3.638 3.960 0.003 0.000 0.413 510 G C -0.198 174.703 174.900 0.002 0.000 1.335 510 G CA 0.872 45.970 45.100 -0.004 0.000 0.917 510 G HN 1.112 nan 8.290 nan 0.000 0.552 511 T N 0.994 115.550 114.554 0.002 0.000 2.901 511 T HA 0.297 4.649 4.350 0.003 0.000 0.301 511 T C 0.579 175.290 174.700 0.019 0.000 1.012 511 T CA 0.099 62.203 62.100 0.007 0.000 1.135 511 T CB 0.968 69.839 68.868 0.005 0.000 0.936 511 T HN 0.578 nan 8.240 nan 0.000 0.539 512 D N 1.992 122.406 120.400 0.022 0.000 2.487 512 D HA 0.020 4.662 4.640 0.003 0.000 0.243 512 D C -0.061 176.269 176.300 0.051 0.000 1.154 512 D CA 0.277 54.300 54.000 0.039 0.000 0.876 512 D CB 0.500 41.325 40.800 0.042 0.000 1.161 512 D HN 0.408 nan 8.370 nan 0.000 0.478 513 I N 3.943 124.551 120.570 0.064 0.000 2.325 513 I HA 0.072 4.244 4.170 0.003 0.000 0.291 513 I C 0.175 176.363 176.117 0.117 0.000 1.019 513 I CA -0.757 60.593 61.300 0.083 0.000 1.302 513 I CB 1.536 39.580 38.000 0.072 0.000 1.401 513 I HN -0.000 nan 8.210 nan 0.000 0.485 514 V N 7.578 127.586 119.914 0.156 0.000 2.432 514 V HA 0.234 4.356 4.120 0.003 0.000 0.275 514 V C 0.467 176.733 176.094 0.287 0.000 1.043 514 V CA -0.654 61.791 62.300 0.240 0.000 0.925 514 V CB 1.313 33.295 31.823 0.265 0.000 0.985 514 V HN 0.483 nan 8.190 nan 0.000 0.466 515 L N 5.054 126.449 121.223 0.286 0.000 2.462 515 L HA 0.375 4.717 4.340 0.003 0.000 0.272 515 L C 1.478 178.487 176.870 0.233 0.000 1.166 515 L CA 1.062 56.002 54.840 0.167 0.000 0.880 515 L CB -0.050 41.988 42.059 -0.036 0.000 1.142 515 L HN 1.013 nan 8.230 nan 0.000 0.473 516 G N 1.977 110.809 108.800 0.053 0.000 2.217 516 G HA2 -0.063 3.899 3.960 0.003 0.000 0.246 516 G HA3 -0.063 3.899 3.960 0.003 0.000 0.246 516 G C 0.553 175.591 174.900 0.230 0.000 0.990 516 G CA -0.071 44.996 45.100 -0.055 0.000 0.627 516 G HN 1.506 nan 8.290 nan 0.000 0.522 517 G N -1.401 107.643 108.800 0.406 0.000 2.663 517 G HA2 0.423 4.385 3.960 0.003 0.000 0.686 517 G HA3 0.423 4.385 3.960 0.003 0.000 0.686 517 G C 0.014 175.198 174.900 0.475 0.000 1.288 517 G CA 0.603 45.964 45.100 0.434 0.000 0.836 517 G HN 2.176 nan 8.290 nan 0.000 0.584 518 S N 0.935 116.769 115.700 0.223 0.000 2.475 518 S HA 0.520 4.992 4.470 0.003 0.000 0.281 518 S C 1.459 176.010 174.600 -0.081 0.000 1.198 518 S CA 0.379 58.571 58.200 -0.012 0.000 1.063 518 S CB 0.720 63.835 63.200 -0.141 0.000 0.972 518 S HN 1.716 nan 8.310 nan 0.000 0.486 519 W N 3.408 124.405 121.300 -0.505 0.000 2.379 519 W HA -0.156 4.506 4.660 0.003 0.000 0.307 519 W C 1.043 177.426 176.519 -0.227 0.000 1.200 519 W CA 1.182 58.303 57.345 -0.373 0.000 1.297 519 W CB -1.502 27.570 29.460 -0.647 0.000 1.140 519 W HN 0.674 nan 8.180 nan 0.000 0.507 520 Q N 1.707 120.910 119.800 -0.994 0.000 2.133 520 Q HA -0.190 4.152 4.340 0.003 0.000 0.208 520 Q C 2.713 178.487 176.000 -0.378 0.000 0.991 520 Q CA 3.312 58.589 55.803 -0.877 0.000 0.867 520 Q CB -1.123 26.989 28.738 -1.043 0.000 0.911 520 Q HN 0.411 nan 8.270 nan 0.000 0.417 521 A N 0.752 123.420 122.820 -0.254 0.000 1.902 521 A HA -0.260 4.062 4.320 0.003 0.000 0.217 521 A C 1.932 179.484 177.584 -0.053 0.000 1.181 521 A CA 1.641 53.607 52.037 -0.119 0.000 0.623 521 A CB -0.489 18.473 19.000 -0.064 0.000 0.818 521 A HN 0.409 nan 8.150 nan 0.000 0.443 522 E N -0.618 119.581 120.200 -0.002 0.000 2.038 522 E HA -0.178 4.174 4.350 0.003 0.000 0.195 522 E C 2.062 178.678 176.600 0.027 0.000 1.000 522 E CA 1.601 58.032 56.400 0.051 0.000 0.803 522 E CB -0.409 29.366 29.700 0.125 0.000 0.750 522 E HN 0.515 nan 8.360 nan 0.000 0.448 523 V N 0.698 120.621 119.914 0.016 0.000 2.469 523 V HA -0.164 3.958 4.120 0.003 0.000 0.251 523 V C 1.826 177.903 176.094 -0.028 0.000 1.064 523 V CA 1.984 64.288 62.300 0.008 0.000 1.066 523 V CB -0.450 31.387 31.823 0.024 0.000 0.667 523 V HN 0.265 nan 8.190 nan 0.000 0.461 524 A N -0.819 121.963 122.820 -0.063 0.000 2.250 524 A HA 0.560 4.882 4.320 0.003 0.000 0.208 524 A C 2.031 179.596 177.584 -0.033 0.000 1.254 524 A CA 1.123 53.125 52.037 -0.058 0.000 0.858 524 A CB -0.758 18.191 19.000 -0.084 0.000 0.820 524 A HN 1.001 nan 8.150 nan 0.000 0.484 525 A N -0.729 122.082 122.820 -0.016 0.000 1.993 525 A HA 0.415 4.737 4.320 0.003 0.000 0.207 525 A C 0.778 178.361 177.584 -0.002 0.000 1.224 525 A CA -0.120 51.913 52.037 -0.006 0.000 0.749 525 A CB -0.177 18.826 19.000 0.004 0.000 0.884 525 A HN 0.394 nan 8.150 nan 0.000 0.467 526 L N 1.843 123.068 121.223 0.003 0.000 2.584 526 L HA -0.002 4.340 4.340 0.003 0.000 0.272 526 L C 1.136 178.007 176.870 0.001 0.000 1.195 526 L CA -0.423 54.421 54.840 0.007 0.000 0.920 526 L CB 0.634 42.702 42.059 0.016 0.000 1.173 526 L HN 0.392 nan 8.230 nan 0.000 0.489 527 E N 2.148 122.349 120.200 0.002 0.000 2.208 527 E HA -0.077 4.275 4.350 0.003 0.000 0.193 527 E C -0.034 176.567 176.600 0.001 0.000 0.988 527 E CA 0.818 57.217 56.400 -0.001 0.000 0.828 527 E CB -0.162 29.538 29.700 -0.001 0.000 0.763 527 E HN 0.598 nan 8.360 nan 0.000 0.478 528 N N 1.644 120.348 118.700 0.005 0.000 2.690 528 N HA 0.175 4.917 4.740 0.003 0.000 0.255 528 N C -2.786 172.732 175.510 0.013 0.000 1.195 528 N CA -1.051 52.003 53.050 0.008 0.000 0.790 528 N CB 2.053 40.544 38.487 0.007 0.000 1.216 528 N HN -0.080 nan 8.380 nan 0.000 0.528 529 P HA 0.109 nan 4.420 nan 0.000 0.275 529 P C -0.274 177.040 177.300 0.024 0.000 1.227 529 P CA 0.017 63.132 63.100 0.024 0.000 0.781 529 P CB 1.851 33.566 31.700 0.026 0.000 0.906 530 T N 0.461 115.032 114.554 0.028 0.000 2.718 530 T HA 0.565 4.917 4.350 0.003 0.000 0.267 530 T C 1.319 176.039 174.700 0.033 0.000 0.957 530 T CA 0.189 62.305 62.100 0.026 0.000 1.025 530 T CB 0.840 69.720 68.868 0.020 0.000 1.355 530 T HN 0.230 nan 8.240 nan 0.000 0.572 531 A N 0.462 123.299 122.820 0.027 0.000 1.854 531 A HA 0.042 4.364 4.320 0.003 0.000 0.214 531 A C 1.752 179.352 177.584 0.026 0.000 1.192 531 A CA 1.928 53.982 52.037 0.028 0.000 0.611 531 A CB -0.878 18.134 19.000 0.020 0.000 0.832 531 A HN 0.859 nan 8.150 nan 0.000 0.442 532 E N 0.521 120.733 120.200 0.020 0.000 2.482 532 E HA -0.067 4.285 4.350 0.003 0.000 0.196 532 E C 1.656 178.270 176.600 0.023 0.000 1.047 532 E CA 0.999 57.408 56.400 0.016 0.000 0.869 532 E CB -0.458 29.248 29.700 0.011 0.000 0.836 532 E HN 0.734 nan 8.360 nan 0.000 0.520 533 Q N 0.423 120.243 119.800 0.034 0.000 1.937 533 Q HA -0.006 4.336 4.340 0.003 0.000 0.198 533 Q C 2.059 178.097 176.000 0.064 0.000 0.977 533 Q CA 1.163 56.993 55.803 0.044 0.000 0.836 533 Q CB -0.159 28.605 28.738 0.044 0.000 0.899 533 Q HN 0.273 nan 8.270 nan 0.000 0.437 534 I N 1.578 122.199 120.570 0.085 0.000 2.141 534 I HA -0.344 3.828 4.170 0.003 0.000 0.243 534 I C 2.120 178.285 176.117 0.079 0.000 1.035 534 I CA 1.726 63.108 61.300 0.136 0.000 1.302 534 I CB -1.227 36.871 38.000 0.163 0.000 1.006 534 I HN 0.280 nan 8.210 nan 0.000 0.413 535 E N 0.719 120.936 120.200 0.029 0.000 2.051 535 E HA -0.176 4.176 4.350 0.003 0.000 0.192 535 E C 2.105 178.693 176.600 -0.021 0.000 0.991 535 E CA 0.922 57.306 56.400 -0.026 0.000 0.799 535 E CB -0.375 29.314 29.700 -0.018 0.000 0.748 535 E HN 0.269 nan 8.360 nan 0.000 0.449 536 K N 0.664 121.073 120.400 0.014 0.000 2.001 536 K HA -0.129 4.193 4.320 0.003 0.000 0.214 536 K C 2.215 178.844 176.600 0.048 0.000 1.050 536 K CA 1.148 57.450 56.287 0.026 0.000 0.934 536 K CB -0.685 31.837 32.500 0.036 0.000 0.718 536 K HN 0.181 nan 8.250 nan 0.000 0.443 537 I N 1.057 121.676 120.570 0.082 0.000 2.118 537 I HA -0.350 3.822 4.170 0.003 0.000 0.241 537 I C 2.715 178.921 176.117 0.148 0.000 1.070 537 I CA 1.567 62.953 61.300 0.144 0.000 1.327 537 I CB -0.325 37.793 38.000 0.197 0.000 1.034 537 I HN 0.280 nan 8.210 nan 0.000 0.405 538 K N 0.979 121.382 120.400 0.004 0.000 2.097 538 K HA -0.182 4.140 4.320 0.003 0.000 0.206 538 K C 2.079 178.589 176.600 -0.149 0.000 1.049 538 K CA 1.583 57.658 56.287 -0.353 0.000 0.933 538 K CB -0.018 31.941 32.500 -0.902 0.000 0.717 538 K HN 0.338 nan 8.250 nan 0.000 0.442 539 A N 1.176 123.947 122.820 -0.082 0.000 1.930 539 A HA -0.099 4.223 4.320 0.003 0.000 0.215 539 A C 1.606 179.191 177.584 0.003 0.000 1.176 539 A CA 1.327 53.337 52.037 -0.045 0.000 0.632 539 A CB -0.254 18.717 19.000 -0.047 0.000 0.819 539 A HN 0.302 nan 8.150 nan 0.000 0.445 540 D N -0.984 119.442 120.400 0.042 0.000 2.123 540 D HA -0.193 4.449 4.640 0.003 0.000 0.196 540 D C 1.564 177.908 176.300 0.074 0.000 0.992 540 D CA 1.395 55.428 54.000 0.056 0.000 0.833 540 D CB -0.424 40.434 40.800 0.097 0.000 0.954 540 D HN 0.749 nan 8.370 nan 0.000 0.455 541 W N 1.751 123.032 121.300 -0.033 0.000 2.355 541 W HA -0.237 4.425 4.660 0.004 0.000 0.309 541 W C 2.469 178.970 176.519 -0.031 0.000 1.206 541 W CA 1.714 59.054 57.345 -0.008 0.000 1.284 541 W CB -0.417 29.067 29.460 0.040 0.000 1.145 541 W HN -0.112 nan 8.180 nan 0.000 0.502 542 Q N 0.547 120.292 119.800 -0.090 0.000 2.135 542 Q HA -0.192 4.150 4.340 0.003 0.000 0.204 542 Q C 1.923 177.727 176.000 -0.326 0.000 0.981 542 Q CA 2.790 58.371 55.803 -0.370 0.000 0.856 542 Q CB -0.740 27.948 28.738 -0.084 0.000 0.902 542 Q HN 0.288 nan 8.270 nan 0.000 0.425 543 V N 0.460 120.252 119.914 -0.202 0.000 2.343 543 V HA -0.248 3.874 4.120 0.003 0.000 0.247 543 V C 2.312 178.268 176.094 -0.230 0.000 1.051 543 V CA 2.233 64.431 62.300 -0.170 0.000 1.036 543 V CB -0.537 31.223 31.823 -0.105 0.000 0.654 543 V HN 0.354 nan 8.190 nan 0.000 0.451 544 R N -0.977 119.345 120.500 -0.297 0.000 2.073 544 R HA -0.121 4.221 4.340 0.003 0.000 0.229 544 R C 2.427 178.483 176.300 -0.406 0.000 1.120 544 R CA 1.362 57.251 56.100 -0.352 0.000 0.967 544 R CB -0.643 29.404 30.300 -0.422 0.000 0.862 544 R HN 0.618 nan 8.270 nan 0.000 0.436 545 H N 1.342 119.973 119.070 -0.733 0.000 2.353 545 H HA -0.148 4.410 4.556 0.003 0.000 0.298 545 H C 0.949 176.019 175.328 -0.430 0.000 1.103 545 H CA 1.866 57.472 56.048 -0.738 0.000 1.293 545 H CB 0.204 29.115 29.762 -1.418 0.000 1.372 545 H HN 0.144 nan 8.280 nan 0.000 0.501 546 D N 0.267 120.489 120.400 -0.298 0.000 2.149 546 D HA -0.021 4.621 4.640 0.003 0.000 0.201 546 D C 2.287 178.462 176.300 -0.209 0.000 0.972 546 D CA 1.036 54.909 54.000 -0.212 0.000 0.835 546 D CB -0.394 40.333 40.800 -0.121 0.000 0.966 546 D HN 0.471 nan 8.370 nan 0.000 0.476 547 A N 0.707 123.404 122.820 -0.206 0.000 1.902 547 A HA -0.133 4.189 4.320 0.003 0.000 0.217 547 A C 2.498 179.976 177.584 -0.176 0.000 1.181 547 A CA 1.162 53.098 52.037 -0.168 0.000 0.623 547 A CB -0.755 18.149 19.000 -0.160 0.000 0.818 547 A HN 0.133 nan 8.150 nan 0.000 0.443 548 V N 0.182 119.960 119.914 -0.227 0.000 2.343 548 V HA -0.263 3.859 4.120 0.003 0.000 0.247 548 V C 2.567 178.538 176.094 -0.205 0.000 1.051 548 V CA 1.916 64.094 62.300 -0.205 0.000 1.036 548 V CB -0.791 30.900 31.823 -0.221 0.000 0.654 548 V HN 0.565 nan 8.190 nan 0.000 0.451 549 L N -0.111 120.941 121.223 -0.285 0.000 2.012 549 L HA -0.232 4.110 4.340 0.003 0.000 0.210 549 L C 2.604 179.392 176.870 -0.137 0.000 1.073 549 L CA 2.172 56.879 54.840 -0.222 0.000 0.748 549 L CB -0.498 41.410 42.059 -0.252 0.000 0.891 549 L HN 0.400 nan 8.230 nan 0.000 0.431 550 E N 0.291 120.414 120.200 -0.129 0.000 2.274 550 E HA -0.125 4.227 4.350 0.003 0.000 0.194 550 E C 1.865 178.418 176.600 -0.079 0.000 0.996 550 E CA 0.916 57.261 56.400 -0.091 0.000 0.840 550 E CB 0.066 29.715 29.700 -0.084 0.000 0.772 550 E HN 0.379 nan 8.360 nan 0.000 0.491 551 A N -0.340 122.427 122.820 -0.088 0.000 2.235 551 A HA 0.344 4.667 4.320 0.003 0.000 0.208 551 A C 1.611 179.156 177.584 -0.065 0.000 1.172 551 A CA 0.738 52.732 52.037 -0.072 0.000 0.786 551 A CB -0.502 18.456 19.000 -0.071 0.000 0.804 551 A HN 0.480 nan 8.150 nan 0.000 0.479 552 G N -2.840 105.921 108.800 -0.065 0.000 2.154 552 G HA2 0.294 4.256 3.960 0.003 0.000 0.186 552 G HA3 0.294 4.256 3.960 0.003 0.000 0.186 552 G C 1.320 176.201 174.900 -0.032 0.000 1.000 552 G CA 0.334 45.407 45.100 -0.046 0.000 0.664 552 G HN 2.213 nan 8.290 nan 0.000 0.513 553 G N -0.815 107.952 108.800 -0.055 0.000 2.601 553 G HA2 0.097 4.059 3.960 0.003 0.000 0.252 553 G HA3 0.097 4.059 3.960 0.003 0.000 0.252 553 G C 0.075 174.976 174.900 0.001 0.000 1.294 553 G CA 0.151 45.225 45.100 -0.044 0.000 0.912 553 G HN 1.722 nan 8.290 nan 0.000 0.574 554 L N 1.016 122.252 121.223 0.022 0.000 2.418 554 L HA 0.571 4.913 4.340 0.003 0.000 0.274 554 L C 0.624 177.553 176.870 0.098 0.000 1.135 554 L CA -0.145 54.727 54.840 0.052 0.000 0.870 554 L CB 0.205 42.288 42.059 0.041 0.000 1.154 554 L HN 0.819 nan 8.230 nan 0.000 0.462 555 H N 5.347 124.411 119.070 -0.010 0.000 2.527 555 H HA 0.446 5.004 4.556 0.003 0.000 0.321 555 H C -0.673 174.642 175.328 -0.023 0.000 1.087 555 H CA -0.604 55.436 56.048 -0.013 0.000 1.337 555 H CB 0.618 30.374 29.762 -0.009 0.000 1.440 555 H HN 0.470 nan 8.280 nan 0.000 0.490 556 I N 7.389 127.708 120.570 -0.419 0.000 2.321 556 I HA 0.169 4.341 4.170 0.003 0.000 0.291 556 I C 0.108 175.824 176.117 -0.669 0.000 0.998 556 I CA -0.479 60.575 61.300 -0.411 0.000 1.227 556 I CB 0.578 38.419 38.000 -0.266 0.000 1.368 556 I HN 0.595 nan 8.210 nan 0.000 0.466 557 I N 5.350 125.662 120.570 -0.431 0.000 2.312 557 I HA 0.330 4.502 4.170 0.003 0.000 0.290 557 I C 0.859 176.793 176.117 -0.305 0.000 1.008 557 I CA -0.346 60.780 61.300 -0.290 0.000 1.226 557 I CB 1.537 39.467 38.000 -0.116 0.000 1.371 557 I HN 0.639 nan 8.210 nan 0.000 0.468 558 G N 3.058 111.544 108.800 -0.523 0.000 2.327 558 G HA2 0.281 4.243 3.960 0.003 0.000 0.302 558 G HA3 0.281 4.243 3.960 0.003 0.000 0.302 558 G C 0.996 175.935 174.900 0.066 0.000 1.113 558 G CA -0.314 44.624 45.100 -0.271 0.000 0.921 558 G HN 0.752 nan 8.290 nan 0.000 0.425 559 T N -0.253 114.340 114.554 0.065 0.000 3.055 559 T HA 0.140 4.492 4.350 0.003 0.000 0.265 559 T C 0.536 175.317 174.700 0.134 0.000 1.111 559 T CA 0.671 62.808 62.100 0.062 0.000 1.118 559 T CB 0.138 68.987 68.868 -0.031 0.000 0.909 559 T HN 0.445 nan 8.240 nan 0.000 0.501 560 E N -0.455 119.845 120.200 0.166 0.000 2.392 560 E HA 0.544 4.896 4.350 0.003 0.000 0.279 560 E C -1.037 175.688 176.600 0.208 0.000 0.964 560 E CA -0.767 55.717 56.400 0.140 0.000 0.777 560 E CB 1.804 31.518 29.700 0.023 0.000 1.249 560 E HN 0.132 nan 8.360 nan 0.000 0.449 561 R N 0.953 121.541 120.500 0.147 0.000 2.457 561 R HA 0.446 4.788 4.340 0.003 0.000 0.284 561 R C -0.522 175.778 176.300 -0.000 0.000 1.024 561 R CA -0.762 55.393 56.100 0.092 0.000 1.025 561 R CB 0.654 30.929 30.300 -0.043 0.000 1.063 561 R HN 0.518 nan 8.270 nan 0.000 0.493 562 H N 0.482 119.556 119.070 0.008 0.000 2.607 562 H HA -0.003 4.555 4.556 0.004 0.000 0.367 562 H C 0.931 176.237 175.328 -0.037 0.000 1.181 562 H CA 0.083 56.130 56.048 -0.001 0.000 1.402 562 H CB 1.008 30.775 29.762 0.009 0.000 1.474 562 H HN 0.643 nan 8.280 nan 0.000 0.596 563 E N 0.715 120.964 120.200 0.083 0.000 2.077 563 E HA -0.126 4.226 4.350 0.003 0.000 0.193 563 E C 0.341 176.958 176.600 0.027 0.000 0.989 563 E CA 0.690 57.101 56.400 0.018 0.000 0.800 563 E CB 0.159 29.868 29.700 0.015 0.000 0.746 563 E HN 0.376 nan 8.360 nan 0.000 0.452 564 S N 0.195 115.937 115.700 0.070 0.000 2.430 564 S HA 0.067 4.539 4.470 0.003 0.000 0.282 564 S C 0.738 175.343 174.600 0.009 0.000 1.186 564 S CA -0.257 57.962 58.200 0.032 0.000 1.060 564 S CB 0.710 63.922 63.200 0.020 0.000 0.966 564 S HN 0.212 nan 8.310 nan 0.000 0.501 565 R N 4.113 124.602 120.500 -0.019 0.000 2.152 565 R HA -0.038 4.304 4.340 0.003 0.000 0.232 565 R C 2.457 178.732 176.300 -0.041 0.000 1.117 565 R CA 1.305 57.374 56.100 -0.052 0.000 0.981 565 R CB -0.149 30.114 30.300 -0.061 0.000 0.870 565 R HN 0.725 nan 8.270 nan 0.000 0.451 566 R N 0.675 121.163 120.500 -0.020 0.000 2.103 566 R HA -0.182 4.160 4.340 0.003 0.000 0.242 566 R C 1.946 178.229 176.300 -0.028 0.000 1.142 566 R CA 1.966 58.059 56.100 -0.012 0.000 0.960 566 R CB -0.338 29.957 30.300 -0.008 0.000 0.858 566 R HN 0.332 nan 8.270 nan 0.000 0.439 567 I N 0.803 121.336 120.570 -0.063 0.000 2.315 567 I HA -0.238 3.934 4.170 0.003 0.000 0.248 567 I C 1.577 177.659 176.117 -0.059 0.000 1.117 567 I CA 1.156 62.382 61.300 -0.125 0.000 1.404 567 I CB -0.355 37.450 38.000 -0.324 0.000 1.071 567 I HN 0.157 nan 8.210 nan 0.000 0.419 568 D N 0.905 121.297 120.400 -0.014 0.000 2.144 568 D HA -0.137 4.505 4.640 0.003 0.000 0.200 568 D C 1.842 178.213 176.300 0.118 0.000 0.978 568 D CA 1.029 55.069 54.000 0.067 0.000 0.833 568 D CB -0.421 40.223 40.800 -0.259 0.000 0.961 568 D HN 0.283 nan 8.370 nan 0.000 0.470 569 N N 0.746 119.465 118.700 0.031 0.000 2.244 569 N HA -0.094 4.648 4.740 0.003 0.000 0.183 569 N C 1.782 177.331 175.510 0.065 0.000 1.016 569 N CA 0.527 53.609 53.050 0.053 0.000 0.866 569 N CB -0.173 38.327 38.487 0.022 0.000 0.980 569 N HN 0.389 nan 8.380 nan 0.000 0.430 570 Q N 0.247 120.072 119.800 0.041 0.000 2.050 570 Q HA -0.086 4.256 4.340 0.003 0.000 0.202 570 Q C 2.000 178.028 176.000 0.048 0.000 0.980 570 Q CA 0.879 56.700 55.803 0.030 0.000 0.840 570 Q CB -0.198 28.540 28.738 -0.000 0.000 0.898 570 Q HN 0.194 nan 8.270 nan 0.000 0.424 571 L N 1.482 122.751 121.223 0.076 0.000 2.012 571 L HA -0.240 4.102 4.340 0.003 0.000 0.210 571 L C 2.450 179.365 176.870 0.075 0.000 1.073 571 L CA 2.040 56.931 54.840 0.085 0.000 0.748 571 L CB -0.440 41.704 42.059 0.141 0.000 0.891 571 L HN 0.152 nan 8.230 nan 0.000 0.431 572 R N -0.951 119.633 120.500 0.140 0.000 2.148 572 R HA -0.040 4.302 4.340 0.003 0.000 0.227 572 R C 2.018 178.354 176.300 0.061 0.000 1.103 572 R CA 1.260 57.422 56.100 0.105 0.000 0.983 572 R CB -1.184 29.248 30.300 0.219 0.000 0.874 572 R HN 0.409 nan 8.270 nan 0.000 0.451 573 G N 1.029 109.865 108.800 0.061 0.000 2.509 573 G HA2 -0.182 3.780 3.960 0.003 0.000 0.218 573 G HA3 -0.182 3.780 3.960 0.003 0.000 0.218 573 G C 1.257 176.177 174.900 0.033 0.000 1.124 573 G CA 0.104 45.230 45.100 0.044 0.000 0.776 573 G HN 0.322 nan 8.290 nan 0.000 0.547 574 R N 0.100 120.618 120.500 0.029 0.000 2.237 574 R HA 0.054 4.396 4.340 0.003 0.000 0.219 574 R C 1.230 177.546 176.300 0.027 0.000 1.080 574 R CA 0.573 56.688 56.100 0.025 0.000 0.995 574 R CB -0.083 30.227 30.300 0.018 0.000 0.875 574 R HN 0.321 nan 8.270 nan 0.000 0.462 575 S N -1.114 114.600 115.700 0.023 0.000 2.608 575 S HA 0.453 4.925 4.470 0.003 0.000 0.291 575 S C 0.758 175.377 174.600 0.031 0.000 1.146 575 S CA 0.112 58.327 58.200 0.026 0.000 1.043 575 S CB 1.629 64.838 63.200 0.016 0.000 1.037 575 S HN 0.451 nan 8.310 nan 0.000 0.520 576 G N 2.840 111.659 108.800 0.032 0.000 2.143 576 G HA2 -0.226 3.736 3.960 0.003 0.000 0.248 576 G HA3 -0.226 3.736 3.960 0.003 0.000 0.248 576 G C 0.020 174.939 174.900 0.032 0.000 0.991 576 G CA 0.219 45.337 45.100 0.030 0.000 0.689 576 G HN 0.806 nan 8.290 nan 0.000 0.522 577 R N 0.040 120.564 120.500 0.040 0.000 2.590 577 R HA 0.370 4.712 4.340 0.003 0.000 0.274 577 R C 1.028 177.356 176.300 0.046 0.000 1.061 577 R CA 0.212 56.338 56.100 0.042 0.000 1.081 577 R CB 0.169 30.499 30.300 0.049 0.000 0.984 577 R HN 0.514 nan 8.270 nan 0.000 0.448 578 Q N 0.850 120.671 119.800 0.034 0.000 2.416 578 Q HA -0.272 4.070 4.340 0.003 0.000 0.319 578 Q C 0.744 176.758 176.000 0.023 0.000 1.318 578 Q CA 0.649 56.466 55.803 0.024 0.000 0.915 578 Q CB -1.509 27.257 28.738 0.047 0.000 1.184 578 Q HN 1.189 nan 8.270 nan 0.000 0.444 579 G N -0.553 108.255 108.800 0.014 0.000 2.189 579 G HA2 -0.312 3.650 3.960 0.003 0.000 0.267 579 G HA3 -0.312 3.650 3.960 0.003 0.000 0.267 579 G C -0.073 174.840 174.900 0.021 0.000 0.975 579 G CA 0.260 45.367 45.100 0.011 0.000 0.644 579 G HN 0.533 nan 8.290 nan 0.000 0.537 580 D N 1.102 121.524 120.400 0.035 0.000 2.478 580 D HA 0.457 5.099 4.640 0.003 0.000 0.234 580 D C 1.115 177.418 176.300 0.005 0.000 1.154 580 D CA 0.900 54.913 54.000 0.023 0.000 0.874 580 D CB 0.662 41.484 40.800 0.036 0.000 1.198 580 D HN 0.792 nan 8.370 nan 0.000 0.455 581 A N 1.171 123.982 122.820 -0.015 0.000 2.466 581 A HA 0.564 4.886 4.320 0.003 0.000 0.238 581 A C 0.753 178.336 177.584 -0.002 0.000 1.074 581 A CA 0.621 52.650 52.037 -0.014 0.000 0.774 581 A CB 0.343 19.322 19.000 -0.035 0.000 1.015 581 A HN 0.629 nan 8.150 nan 0.000 0.498 582 G N -0.991 107.817 108.800 0.015 0.000 2.451 582 G HA2 0.665 4.627 3.960 0.003 0.000 0.292 582 G HA3 0.665 4.627 3.960 0.003 0.000 0.292 582 G C -0.809 174.129 174.900 0.062 0.000 1.427 582 G CA 0.257 45.379 45.100 0.037 0.000 0.792 582 G HN 1.996 nan 8.290 nan 0.000 0.498 583 S N -1.540 114.224 115.700 0.107 0.000 2.625 583 S HA 0.909 5.381 4.470 0.003 0.000 0.271 583 S C -0.632 174.023 174.600 0.091 0.000 1.161 583 S CA 0.096 58.387 58.200 0.153 0.000 0.820 583 S CB 1.603 64.940 63.200 0.228 0.000 1.137 583 S HN 2.354 nan 8.310 nan 0.000 0.470 584 S N 0.175 115.899 115.700 0.040 0.000 2.536 584 S HA 0.823 5.295 4.470 0.003 0.000 0.271 584 S C -1.139 173.415 174.600 -0.078 0.000 1.134 584 S CA -0.842 57.268 58.200 -0.150 0.000 0.897 584 S CB 1.978 65.138 63.200 -0.066 0.000 1.094 584 S HN 1.109 nan 8.310 nan 0.000 0.473 585 R N 1.730 122.086 120.500 -0.240 0.000 2.515 585 R HA 0.654 4.996 4.340 0.003 0.000 0.291 585 R C -2.127 174.015 176.300 -0.264 0.000 1.046 585 R CA -0.508 55.519 56.100 -0.121 0.000 0.914 585 R CB 0.715 31.021 30.300 0.011 0.000 1.191 585 R HN 0.655 nan 8.270 nan 0.000 0.435 586 F N 3.933 123.832 119.950 -0.085 0.000 2.399 586 F HA 0.450 4.979 4.527 0.003 0.000 0.334 586 F C -0.297 175.427 175.800 -0.127 0.000 1.097 586 F CA -0.363 57.630 58.000 -0.012 0.000 1.076 586 F CB 1.152 40.161 39.000 0.016 0.000 1.162 586 F HN 0.388 nan 8.300 nan 0.000 0.495 587 Y N 2.756 123.186 120.300 0.217 0.000 2.377 587 Y HA 0.681 5.233 4.550 0.003 0.000 0.339 587 Y C -0.608 175.402 175.900 0.183 0.000 1.011 587 Y CA -0.817 57.397 58.100 0.189 0.000 1.093 587 Y CB 1.539 40.067 38.460 0.115 0.000 1.201 587 Y HN 0.332 nan 8.280 nan 0.000 0.455 588 L N 1.204 122.611 121.223 0.307 0.000 2.359 588 L HA 0.667 5.009 4.340 0.003 0.000 0.256 588 L C -0.489 176.526 176.870 0.241 0.000 1.026 588 L CA -0.559 54.413 54.840 0.220 0.000 0.828 588 L CB 2.425 44.570 42.059 0.143 0.000 1.406 588 L HN 0.463 nan 8.230 nan 0.000 0.413 589 S N -0.118 115.687 115.700 0.174 0.000 2.568 589 S HA 0.502 4.974 4.470 0.003 0.000 0.293 589 S C 0.849 175.515 174.600 0.111 0.000 1.089 589 S CA -0.588 57.705 58.200 0.155 0.000 0.945 589 S CB 1.351 64.620 63.200 0.115 0.000 1.077 589 S HN 0.555 nan 8.310 nan 0.000 0.485 590 M N 1.984 121.637 119.600 0.090 0.000 2.202 590 M HA -0.080 4.402 4.480 0.003 0.000 0.262 590 M C 1.319 177.660 176.300 0.069 0.000 1.063 590 M CA 1.611 56.950 55.300 0.065 0.000 1.097 590 M CB -1.456 31.171 32.600 0.045 0.000 1.382 590 M HN 0.701 nan 8.290 nan 0.000 0.413 591 E N 0.042 120.282 120.200 0.067 0.000 2.478 591 E HA -0.070 4.282 4.350 0.003 0.000 0.198 591 E C -0.204 176.431 176.600 0.058 0.000 1.046 591 E CA 0.063 56.497 56.400 0.056 0.000 0.870 591 E CB -0.087 29.641 29.700 0.047 0.000 0.818 591 E HN 0.435 nan 8.360 nan 0.000 0.527 592 D N 0.441 120.884 120.400 0.072 0.000 2.351 592 D HA 0.101 4.743 4.640 0.003 0.000 0.251 592 D C 0.947 177.282 176.300 0.058 0.000 1.137 592 D CA 0.050 54.088 54.000 0.063 0.000 0.879 592 D CB 1.264 42.111 40.800 0.077 0.000 1.181 592 D HN 0.008 nan 8.370 nan 0.000 0.448 593 A N 3.088 125.928 122.820 0.033 0.000 2.023 593 A HA -0.262 4.060 4.320 0.003 0.000 0.223 593 A C 2.028 179.625 177.584 0.022 0.000 1.180 593 A CA 1.434 53.484 52.037 0.021 0.000 0.659 593 A CB -0.588 18.413 19.000 0.001 0.000 0.817 593 A HN 0.606 nan 8.150 nan 0.000 0.466 594 L N -2.118 119.118 121.223 0.022 0.000 2.093 594 L HA -0.002 4.340 4.340 0.003 0.000 0.208 594 L C 2.245 179.155 176.870 0.067 0.000 1.085 594 L CA 1.778 56.622 54.840 0.006 0.000 0.755 594 L CB -0.213 41.849 42.059 0.005 0.000 0.904 594 L HN 0.413 nan 8.230 nan 0.000 0.435 595 M N -1.173 118.536 119.600 0.182 0.000 2.696 595 M HA -0.025 4.457 4.480 0.003 0.000 0.220 595 M C 1.596 178.120 176.300 0.373 0.000 1.133 595 M CA 0.608 56.147 55.300 0.398 0.000 1.016 595 M CB -0.296 32.453 32.600 0.248 0.000 1.740 595 M HN 0.056 nan 8.290 nan 0.000 0.502 596 R N 0.296 120.911 120.500 0.192 0.000 2.119 596 R HA 0.197 4.539 4.340 0.003 0.000 0.202 596 R C 1.503 177.853 176.300 0.083 0.000 1.114 596 R CA 0.867 57.042 56.100 0.125 0.000 1.089 596 R CB -0.285 30.053 30.300 0.064 0.000 1.000 596 R HN 0.547 nan 8.270 nan 0.000 0.487 597 I N -0.242 120.312 120.570 -0.025 0.000 3.493 597 I HA 0.025 4.197 4.170 0.003 0.000 0.311 597 I C -0.127 175.839 176.117 -0.250 0.000 1.210 597 I CA 0.481 61.714 61.300 -0.111 0.000 1.210 597 I CB -0.620 37.292 38.000 -0.146 0.000 0.993 597 I HN -0.100 nan 8.210 nan 0.000 0.539 598 F N 1.948 121.910 119.950 0.021 0.000 2.676 598 F HA 0.488 5.017 4.527 0.004 0.000 0.300 598 F C 1.972 177.785 175.800 0.023 0.000 1.160 598 F CA 0.151 58.166 58.000 0.024 0.000 1.401 598 F CB -0.509 38.510 39.000 0.031 0.000 1.037 598 F HN 0.317 nan 8.300 nan 0.000 0.522 599 A N -0.168 122.733 122.820 0.135 0.000 2.539 599 A HA -0.295 4.027 4.320 0.003 0.000 0.333 599 A C 1.029 178.670 177.584 0.095 0.000 1.513 599 A CA 1.476 53.569 52.037 0.092 0.000 1.175 599 A CB -1.523 17.512 19.000 0.059 0.000 0.823 599 A HN 0.373 nan 8.150 nan 0.000 0.443 600 S N -2.365 113.409 115.700 0.123 0.000 2.541 600 S HA 0.535 5.007 4.470 0.003 0.000 0.280 600 S C 0.287 174.934 174.600 0.078 0.000 1.112 600 S CA -0.183 58.066 58.200 0.082 0.000 0.925 600 S CB 1.479 64.716 63.200 0.061 0.000 1.067 600 S HN 0.246 nan 8.310 nan 0.000 0.479 601 D N 2.116 122.548 120.400 0.053 0.000 2.149 601 D HA 0.117 4.759 4.640 0.003 0.000 0.206 601 D C 1.975 178.290 176.300 0.025 0.000 0.967 601 D CA 0.866 54.892 54.000 0.044 0.000 0.848 601 D CB 0.058 40.880 40.800 0.036 0.000 0.998 601 D HN 0.440 nan 8.370 nan 0.000 0.474 602 R N 0.300 120.811 120.500 0.018 0.000 2.091 602 R HA -0.069 4.273 4.340 0.003 0.000 0.238 602 R C 1.814 178.109 176.300 -0.008 0.000 1.136 602 R CA 0.819 56.922 56.100 0.005 0.000 0.959 602 R CB -0.251 30.051 30.300 0.005 0.000 0.856 602 R HN 0.124 nan 8.270 nan 0.000 0.437 603 V N -0.002 119.910 119.914 -0.004 0.000 3.510 603 V HA -0.053 4.069 4.120 0.003 0.000 0.270 603 V C 1.770 177.811 176.094 -0.088 0.000 1.201 603 V CA 1.011 63.296 62.300 -0.026 0.000 1.166 603 V CB 0.439 32.265 31.823 0.005 0.000 0.825 603 V HN 0.218 nan 8.190 nan 0.000 0.484 604 S N 1.005 116.659 115.700 -0.078 0.000 2.412 604 S HA 0.084 4.556 4.470 0.003 0.000 0.223 604 S C 2.106 176.651 174.600 -0.091 0.000 1.048 604 S CA 0.899 59.008 58.200 -0.151 0.000 0.954 604 S CB -0.087 63.081 63.200 -0.053 0.000 0.840 604 S HN 0.609 nan 8.310 nan 0.000 0.503 605 G N 0.919 109.695 108.800 -0.039 0.000 2.615 605 G HA2 -0.171 3.791 3.960 0.003 0.000 0.213 605 G HA3 -0.171 3.791 3.960 0.003 0.000 0.213 605 G C 0.986 175.874 174.900 -0.019 0.000 1.135 605 G CA 0.469 45.557 45.100 -0.019 0.000 0.772 605 G HN 0.348 nan 8.290 nan 0.000 0.542 606 M N 0.348 119.932 119.600 -0.028 0.000 2.747 606 M HA 0.362 4.844 4.480 0.003 0.000 0.221 606 M C 1.505 177.806 176.300 0.002 0.000 1.107 606 M CA 0.214 55.505 55.300 -0.014 0.000 1.031 606 M CB -0.351 32.238 32.600 -0.018 0.000 1.727 606 M HN 0.093 nan 8.290 nan 0.000 0.517 607 M N -1.510 118.084 119.600 -0.010 0.000 2.692 607 M HA 0.193 4.675 4.480 0.003 0.000 0.372 607 M C 0.893 177.192 176.300 -0.002 0.000 1.192 607 M CA -0.095 55.201 55.300 -0.007 0.000 0.928 607 M CB 0.286 32.868 32.600 -0.031 0.000 1.366 607 M HN 0.107 nan 8.290 nan 0.000 0.517 608 R N 0.571 121.072 120.500 0.002 0.000 2.066 608 R HA -0.065 4.277 4.340 0.003 0.000 0.232 608 R C 1.564 177.869 176.300 0.010 0.000 1.131 608 R CA 1.190 57.295 56.100 0.009 0.000 0.955 608 R CB -0.214 30.091 30.300 0.008 0.000 0.851 608 R HN 0.180 nan 8.270 nan 0.000 0.432 609 K N 0.326 120.730 120.400 0.006 0.000 2.361 609 K HA 0.149 4.471 4.320 0.003 0.000 0.194 609 K C 0.736 177.342 176.600 0.011 0.000 1.032 609 K CA 0.038 56.329 56.287 0.007 0.000 1.048 609 K CB 0.381 32.881 32.500 0.000 0.000 0.842 609 K HN -0.073 nan 8.250 nan 0.000 0.526 610 L N 0.763 121.994 121.223 0.014 0.000 2.939 610 L HA 0.199 4.541 4.340 0.003 0.000 0.239 610 L C 0.837 177.722 176.870 0.025 0.000 1.325 610 L CA -0.116 54.739 54.840 0.025 0.000 1.170 610 L CB 0.159 42.233 42.059 0.025 0.000 1.538 610 L HN 0.070 nan 8.230 nan 0.000 0.452 611 G N 0.532 109.345 108.800 0.022 0.000 3.392 611 G HA2 0.194 4.156 3.960 0.003 0.000 0.247 611 G HA3 0.194 4.156 3.960 0.003 0.000 0.247 611 G C 0.627 175.541 174.900 0.023 0.000 1.161 611 G CA -0.597 44.515 45.100 0.020 0.000 1.739 611 G HN 0.427 nan 8.290 nan 0.000 0.619 612 M N -0.280 119.327 119.600 0.012 0.000 4.007 612 M HA -0.196 4.286 4.480 0.003 0.000 0.157 612 M C 0.397 176.723 176.300 0.044 0.000 1.527 612 M CA 0.996 56.299 55.300 0.005 0.000 1.085 612 M CB -0.979 31.606 32.600 -0.025 0.000 1.344 612 M HN 0.243 nan 8.290 nan 0.000 0.235 613 K N 3.127 123.552 120.400 0.042 0.000 2.098 613 K HA 0.438 4.760 4.320 0.003 0.000 0.261 613 K C -1.248 175.391 176.600 0.065 0.000 0.987 613 K CA -1.681 54.635 56.287 0.048 0.000 0.916 613 K CB 0.903 33.425 32.500 0.035 0.000 1.039 613 K HN 0.176 nan 8.250 nan 0.000 0.455 614 P HA -0.273 nan 4.420 nan 0.000 0.211 614 P C 1.093 178.431 177.300 0.063 0.000 0.906 614 P CA 1.583 64.718 63.100 0.058 0.000 1.017 614 P CB -0.132 31.590 31.700 0.038 0.000 0.717 615 G N -0.735 108.093 108.800 0.047 0.000 2.414 615 G HA2 -0.145 3.817 3.960 0.003 0.000 0.215 615 G HA3 -0.145 3.817 3.960 0.003 0.000 0.215 615 G C 0.562 175.497 174.900 0.057 0.000 1.188 615 G CA 0.636 45.763 45.100 0.045 0.000 0.783 615 G HN 0.414 nan 8.290 nan 0.000 0.537 616 E N -0.250 119.980 120.200 0.049 0.000 2.435 616 E HA 0.522 4.874 4.350 0.003 0.000 0.254 616 E C 0.010 176.638 176.600 0.046 0.000 1.289 616 E CA 0.174 56.597 56.400 0.039 0.000 0.983 616 E CB 0.632 30.347 29.700 0.026 0.000 1.010 616 E HN 0.415 nan 8.360 nan 0.000 0.509 617 A N -0.308 122.525 122.820 0.021 0.000 2.612 617 A HA 0.563 4.885 4.320 0.003 0.000 0.293 617 A C -0.507 177.055 177.584 -0.037 0.000 1.075 617 A CA -0.623 51.413 52.037 -0.001 0.000 0.680 617 A CB 0.841 19.853 19.000 0.020 0.000 1.279 617 A HN 0.589 nan 8.150 nan 0.000 0.411 618 I N -0.683 119.837 120.570 -0.082 0.000 3.738 618 I HA 0.353 4.525 4.170 0.003 0.000 0.250 618 I C -0.598 175.393 176.117 -0.211 0.000 1.117 618 I CA 0.165 61.382 61.300 -0.138 0.000 1.624 618 I CB 0.382 38.289 38.000 -0.155 0.000 1.637 618 I HN 0.823 nan 8.210 nan 0.000 0.431 619 E N 1.726 121.743 120.200 -0.305 0.000 7.552 619 E HA -0.062 4.290 4.350 0.003 0.000 0.418 619 E C -1.310 174.967 176.600 -0.539 0.000 0.537 619 E CA -0.050 56.159 56.400 -0.318 0.000 1.114 619 E CB -0.545 29.046 29.700 -0.182 0.000 0.948 619 E HN 0.393 nan 8.360 nan 0.000 0.262 620 H N 2.303 121.294 119.070 -0.132 0.000 2.991 620 H HA 0.173 4.731 4.556 0.003 0.000 0.304 620 H C -1.867 173.348 175.328 -0.189 0.000 1.040 620 H CA -1.881 54.081 56.048 -0.143 0.000 1.410 620 H CB 1.356 30.952 29.762 -0.275 0.000 1.529 620 H HN 0.217 nan 8.280 nan 0.000 0.509 621 P HA -0.200 nan 4.420 nan 0.000 0.217 621 P C 1.944 179.282 177.300 0.063 0.000 1.151 621 P CA 1.364 64.495 63.100 0.052 0.000 0.849 621 P CB -0.015 31.746 31.700 0.102 0.000 0.787 622 W N -0.206 121.129 121.300 0.058 0.000 2.402 622 W HA -0.043 4.619 4.660 0.003 0.000 0.286 622 W C 1.239 177.773 176.519 0.024 0.000 1.221 622 W CA 0.309 57.671 57.345 0.028 0.000 1.257 622 W CB -1.591 27.871 29.460 0.004 0.000 1.120 622 W HN -0.250 nan 8.180 nan 0.000 0.551 623 V N 2.467 121.746 119.914 -1.058 0.000 2.343 623 V HA -0.315 3.807 4.120 0.003 0.000 0.247 623 V C 2.579 178.467 176.094 -0.343 0.000 1.051 623 V CA 2.883 64.596 62.300 -0.979 0.000 1.036 623 V CB -1.416 29.863 31.823 -0.908 0.000 0.654 623 V HN 0.198 nan 8.190 nan 0.000 0.451 624 T N -0.632 113.795 114.554 -0.212 0.000 2.788 624 T HA -0.197 4.155 4.350 0.003 0.000 0.268 624 T C 1.958 176.637 174.700 -0.035 0.000 1.044 624 T CA 1.491 63.534 62.100 -0.094 0.000 1.139 624 T CB -0.156 68.676 68.868 -0.061 0.000 0.867 624 T HN 0.457 nan 8.240 nan 0.000 0.454 625 K N 0.755 121.159 120.400 0.007 0.000 2.076 625 K HA 0.179 4.501 4.320 0.003 0.000 0.204 625 K C 2.704 179.364 176.600 0.101 0.000 1.051 625 K CA 0.853 57.177 56.287 0.062 0.000 0.949 625 K CB -0.215 32.348 32.500 0.106 0.000 0.726 625 K HN 0.235 nan 8.250 nan 0.000 0.443 626 A N 1.507 124.420 122.820 0.155 0.000 1.908 626 A HA -0.185 4.137 4.320 0.003 0.000 0.218 626 A C 2.091 179.815 177.584 0.233 0.000 1.181 626 A CA 1.458 53.639 52.037 0.238 0.000 0.627 626 A CB -0.619 18.574 19.000 0.322 0.000 0.818 626 A HN 0.180 nan 8.150 nan 0.000 0.445 627 I N -0.418 120.241 120.570 0.149 0.000 2.202 627 I HA -0.235 3.937 4.170 0.003 0.000 0.242 627 I C 2.978 179.105 176.117 0.017 0.000 1.091 627 I CA 0.989 62.368 61.300 0.132 0.000 1.368 627 I CB -0.360 37.677 38.000 0.061 0.000 1.058 627 I HN 0.337 nan 8.210 nan 0.000 0.410 628 A N 0.541 123.360 122.820 -0.003 0.000 1.917 628 A HA -0.301 4.021 4.320 0.003 0.000 0.219 628 A C 2.164 179.734 177.584 -0.024 0.000 1.182 628 A CA 2.352 54.370 52.037 -0.031 0.000 0.633 628 A CB -1.074 17.910 19.000 -0.025 0.000 0.819 628 A HN 0.586 nan 8.150 nan 0.000 0.448 629 N N -0.380 118.329 118.700 0.014 0.000 2.270 629 N HA -0.036 4.706 4.740 0.003 0.000 0.181 629 N C 1.882 177.385 175.510 -0.012 0.000 1.016 629 N CA 0.918 53.976 53.050 0.012 0.000 0.870 629 N CB -0.149 38.372 38.487 0.056 0.000 0.979 629 N HN 0.405 nan 8.380 nan 0.000 0.431 630 A N 0.990 123.795 122.820 -0.025 0.000 1.898 630 A HA -0.132 4.190 4.320 0.003 0.000 0.216 630 A C 2.078 179.556 177.584 -0.176 0.000 1.181 630 A CA 0.991 52.934 52.037 -0.156 0.000 0.620 630 A CB -0.528 18.197 19.000 -0.457 0.000 0.819 630 A HN 0.403 nan 8.150 nan 0.000 0.442 631 Q N -0.858 118.854 119.800 -0.146 0.000 2.135 631 Q HA -0.220 4.122 4.340 0.003 0.000 0.204 631 Q C 2.311 178.268 176.000 -0.071 0.000 0.981 631 Q CA 1.785 57.522 55.803 -0.109 0.000 0.856 631 Q CB -0.220 28.463 28.738 -0.091 0.000 0.902 631 Q HN 0.755 nan 8.270 nan 0.000 0.425 632 R N 1.244 121.701 120.500 -0.071 0.000 2.092 632 R HA -0.130 4.212 4.340 0.003 0.000 0.231 632 R C 1.756 178.006 176.300 -0.084 0.000 1.119 632 R CA 1.481 57.531 56.100 -0.083 0.000 0.970 632 R CB 0.045 30.285 30.300 -0.101 0.000 0.864 632 R HN 0.047 nan 8.270 nan 0.000 0.440 633 K N 0.129 120.489 120.400 -0.066 0.000 2.147 633 K HA -0.070 4.252 4.320 0.003 0.000 0.205 633 K C 1.999 178.585 176.600 -0.023 0.000 1.049 633 K CA 1.440 57.701 56.287 -0.044 0.000 0.936 633 K CB 0.016 32.497 32.500 -0.031 0.000 0.722 633 K HN 0.043 nan 8.250 nan 0.000 0.446 634 V N 1.420 121.311 119.914 -0.038 0.000 2.358 634 V HA -0.217 3.905 4.120 0.003 0.000 0.246 634 V C 2.304 178.421 176.094 0.038 0.000 1.047 634 V CA 1.879 64.170 62.300 -0.015 0.000 1.035 634 V CB -0.361 31.435 31.823 -0.045 0.000 0.658 634 V HN 0.303 nan 8.190 nan 0.000 0.452 635 E N 1.167 121.397 120.200 0.049 0.000 2.077 635 E HA -0.182 4.170 4.350 0.003 0.000 0.193 635 E C 2.377 179.125 176.600 0.246 0.000 0.989 635 E CA 1.811 58.291 56.400 0.133 0.000 0.800 635 E CB -0.378 29.407 29.700 0.142 0.000 0.746 635 E HN 0.715 nan 8.360 nan 0.000 0.452 636 S N -0.246 115.551 115.700 0.162 0.000 2.406 636 S HA -0.047 4.425 4.470 0.003 0.000 0.228 636 S C 2.119 176.847 174.600 0.214 0.000 1.020 636 S CA 0.516 58.855 58.200 0.230 0.000 0.965 636 S CB -0.221 62.981 63.200 0.005 0.000 0.798 636 S HN 0.123 nan 8.310 nan 0.000 0.488 637 R N 1.802 122.374 120.500 0.120 0.000 2.073 637 R HA 0.000 4.342 4.340 0.003 0.000 0.234 637 R C 1.916 178.280 176.300 0.108 0.000 1.134 637 R CA 1.805 57.959 56.100 0.089 0.000 0.952 637 R CB -0.876 29.454 30.300 0.049 0.000 0.850 637 R HN 0.638 nan 8.270 nan 0.000 0.433 638 N N -0.573 118.205 118.700 0.129 0.000 2.188 638 N HA -0.168 4.574 4.740 0.003 0.000 0.184 638 N C 1.620 177.242 175.510 0.187 0.000 1.018 638 N CA 0.872 53.997 53.050 0.126 0.000 0.858 638 N CB -0.191 38.361 38.487 0.108 0.000 0.989 638 N HN 0.069 nan 8.380 nan 0.000 0.426 639 F N 2.553 122.547 119.950 0.074 0.000 2.216 639 F HA -0.143 4.386 4.527 0.003 0.000 0.300 639 F C 1.655 177.490 175.800 0.060 0.000 1.085 639 F CA 1.179 59.212 58.000 0.055 0.000 1.326 639 F CB -0.308 38.756 39.000 0.106 0.000 1.027 639 F HN -0.038 nan 8.300 nan 0.000 0.497 640 D N 0.535 120.951 120.400 0.026 0.000 2.116 640 D HA -0.240 4.402 4.640 0.003 0.000 0.193 640 D C 2.532 178.759 176.300 -0.122 0.000 0.998 640 D CA 1.840 55.785 54.000 -0.092 0.000 0.836 640 D CB -0.427 40.379 40.800 0.011 0.000 0.951 640 D HN 0.322 nan 8.370 nan 0.000 0.449 641 I N 0.168 120.709 120.570 -0.049 0.000 2.202 641 I HA -0.211 3.961 4.170 0.003 0.000 0.242 641 I C 2.609 178.687 176.117 -0.065 0.000 1.091 641 I CA 0.764 62.045 61.300 -0.031 0.000 1.368 641 I CB -0.271 37.733 38.000 0.006 0.000 1.058 641 I HN -0.043 nan 8.210 nan 0.000 0.410 642 R N 1.423 121.871 120.500 -0.086 0.000 2.081 642 R HA -0.172 4.170 4.340 0.003 0.000 0.235 642 R C 2.343 178.520 176.300 -0.205 0.000 1.131 642 R CA 1.401 57.443 56.100 -0.097 0.000 0.960 642 R CB -0.026 30.272 30.300 -0.004 0.000 0.856 642 R HN 0.217 nan 8.270 nan 0.000 0.436 643 K N -0.063 120.066 120.400 -0.452 0.000 2.103 643 K HA -0.179 4.143 4.320 0.003 0.000 0.207 643 K C 2.163 178.656 176.600 -0.178 0.000 1.048 643 K CA 1.315 57.347 56.287 -0.424 0.000 0.930 643 K CB 0.007 32.170 32.500 -0.562 0.000 0.716 643 K HN 0.246 nan 8.250 nan 0.000 0.444 644 Q N 0.578 120.310 119.800 -0.113 0.000 2.096 644 Q HA -0.138 4.204 4.340 0.003 0.000 0.204 644 Q C 2.211 178.270 176.000 0.100 0.000 0.982 644 Q CA 1.317 57.120 55.803 0.000 0.000 0.850 644 Q CB -0.243 28.513 28.738 0.031 0.000 0.901 644 Q HN 0.370 nan 8.270 nan 0.000 0.422 645 L N -0.149 121.105 121.223 0.052 0.000 2.109 645 L HA -0.121 4.221 4.340 0.003 0.000 0.207 645 L C 2.330 179.251 176.870 0.086 0.000 1.086 645 L CA 0.501 55.389 54.840 0.080 0.000 0.760 645 L CB -0.408 41.647 42.059 -0.006 0.000 0.910 645 L HN 0.144 nan 8.230 nan 0.000 0.437 646 L N -0.519 120.714 121.223 0.017 0.000 2.191 646 L HA -0.180 4.162 4.340 0.003 0.000 0.212 646 L C 2.451 179.335 176.870 0.024 0.000 1.103 646 L CA 1.000 55.844 54.840 0.007 0.000 0.769 646 L CB -0.445 41.590 42.059 -0.041 0.000 0.908 646 L HN 0.301 nan 8.230 nan 0.000 0.438 647 E N -0.562 119.653 120.200 0.024 0.000 2.072 647 E HA -0.216 4.136 4.350 0.003 0.000 0.191 647 E C 2.162 178.770 176.600 0.014 0.000 0.985 647 E CA 1.319 57.717 56.400 -0.003 0.000 0.801 647 E CB -0.096 29.576 29.700 -0.047 0.000 0.750 647 E HN 0.442 nan 8.360 nan 0.000 0.452 648 Y N 1.487 121.792 120.300 0.008 0.000 2.128 648 Y HA -0.244 4.308 4.550 0.003 0.000 0.284 648 Y C 2.165 178.082 175.900 0.028 0.000 1.154 648 Y CA 1.465 59.584 58.100 0.031 0.000 1.149 648 Y CB -0.218 38.183 38.460 -0.098 0.000 0.976 648 Y HN 0.050 nan 8.280 nan 0.000 0.505 649 D N -0.217 120.274 120.400 0.152 0.000 2.149 649 D HA -0.161 4.481 4.640 0.003 0.000 0.198 649 D C 1.570 177.896 176.300 0.043 0.000 0.990 649 D CA 1.483 55.527 54.000 0.074 0.000 0.839 649 D CB -0.451 40.374 40.800 0.042 0.000 0.948 649 D HN 0.345 nan 8.370 nan 0.000 0.460 650 D N -0.198 120.224 120.400 0.036 0.000 2.218 650 D HA -0.085 4.557 4.640 0.003 0.000 0.204 650 D C 2.177 178.491 176.300 0.023 0.000 0.976 650 D CA 0.198 54.213 54.000 0.025 0.000 0.853 650 D CB -0.052 40.764 40.800 0.026 0.000 0.939 650 D HN 0.083 nan 8.370 nan 0.000 0.481 651 V N 1.194 121.103 119.914 -0.008 0.000 2.261 651 V HA -0.250 3.872 4.120 0.003 0.000 0.246 651 V C 2.521 178.472 176.094 -0.238 0.000 1.047 651 V CA 1.913 64.096 62.300 -0.195 0.000 1.015 651 V CB -0.832 30.837 31.823 -0.256 0.000 0.642 651 V HN 0.206 nan 8.190 nan 0.000 0.446 652 A N 0.347 123.115 122.820 -0.086 0.000 1.877 652 A HA -0.285 4.037 4.320 0.003 0.000 0.216 652 A C 2.076 179.650 177.584 -0.017 0.000 1.186 652 A CA 2.328 54.347 52.037 -0.029 0.000 0.620 652 A CB -0.892 18.120 19.000 0.019 0.000 0.822 652 A HN 0.607 nan 8.150 nan 0.000 0.443 653 N N 0.210 118.899 118.700 -0.018 0.000 2.104 653 N HA -0.160 4.582 4.740 0.003 0.000 0.190 653 N C 1.181 176.659 175.510 -0.053 0.000 1.024 653 N CA 1.924 54.959 53.050 -0.025 0.000 0.853 653 N CB -0.303 38.178 38.487 -0.009 0.000 1.008 653 N HN 0.410 nan 8.380 nan 0.000 0.424 654 D N 0.141 120.516 120.400 -0.043 0.000 2.084 654 D HA -0.135 4.508 4.640 0.003 0.000 0.194 654 D C 1.973 178.177 176.300 -0.160 0.000 0.990 654 D CA 1.029 55.008 54.000 -0.035 0.000 0.826 654 D CB -0.407 40.459 40.800 0.111 0.000 0.971 654 D HN 0.485 nan 8.370 nan 0.000 0.453 655 Q N 0.066 119.682 119.800 -0.306 0.000 2.096 655 Q HA -0.147 4.195 4.340 0.003 0.000 0.204 655 Q C 2.294 178.091 176.000 -0.339 0.000 0.982 655 Q CA 1.048 56.487 55.803 -0.607 0.000 0.850 655 Q CB -0.071 28.314 28.738 -0.590 0.000 0.901 655 Q HN 0.195 nan 8.270 nan 0.000 0.422 656 R N 0.918 121.296 120.500 -0.203 0.000 2.073 656 R HA -0.062 4.280 4.340 0.003 0.000 0.229 656 R C 2.186 178.188 176.300 -0.496 0.000 1.120 656 R CA 0.828 56.632 56.100 -0.493 0.000 0.967 656 R CB 0.024 30.177 30.300 -0.245 0.000 0.862 656 R HN 0.135 nan 8.270 nan 0.000 0.436 657 R N -0.076 120.280 120.500 -0.240 0.000 2.105 657 R HA -0.114 4.228 4.340 0.003 0.000 0.239 657 R C 2.124 178.375 176.300 -0.081 0.000 1.135 657 R CA 1.503 57.533 56.100 -0.118 0.000 0.967 657 R CB -0.192 30.074 30.300 -0.056 0.000 0.861 657 R HN 0.281 nan 8.270 nan 0.000 0.442 658 A N 0.440 123.208 122.820 -0.087 0.000 1.898 658 A HA -0.108 4.214 4.320 0.003 0.000 0.214 658 A C 1.975 179.564 177.584 0.008 0.000 1.183 658 A CA 0.817 52.866 52.037 0.019 0.000 0.622 658 A CB -0.212 18.872 19.000 0.139 0.000 0.824 658 A HN 0.221 nan 8.150 nan 0.000 0.444 659 I N -1.879 118.625 120.570 -0.111 0.000 2.500 659 I HA -0.092 4.080 4.170 0.003 0.000 0.252 659 I C 1.954 178.011 176.117 -0.101 0.000 1.142 659 I CA 1.021 62.205 61.300 -0.194 0.000 1.451 659 I CB -0.179 37.518 38.000 -0.504 0.000 1.093 659 I HN 0.374 nan 8.210 nan 0.000 0.430 660 Y N -0.430 119.693 120.300 -0.296 0.000 2.314 660 Y HA -0.078 4.475 4.550 0.004 0.000 0.293 660 Y C 2.915 178.733 175.900 -0.138 0.000 1.129 660 Y CA 0.863 58.831 58.100 -0.220 0.000 1.201 660 Y CB -1.340 37.025 38.460 -0.158 0.000 0.999 660 Y HN 0.218 nan 8.280 nan 0.000 0.541 661 S N -0.160 115.580 115.700 0.066 0.000 2.359 661 S HA -0.297 4.176 4.470 0.003 0.000 0.224 661 S C 2.146 176.736 174.600 -0.016 0.000 1.035 661 S CA 1.862 60.073 58.200 0.018 0.000 1.018 661 S CB -0.273 62.937 63.200 0.017 0.000 0.876 661 S HN 0.623 nan 8.310 nan 0.000 0.448 662 Q N 0.316 120.101 119.800 -0.025 0.000 2.084 662 Q HA -0.135 4.207 4.340 0.003 0.000 0.202 662 Q C 2.464 178.420 176.000 -0.074 0.000 0.978 662 Q CA 1.422 57.198 55.803 -0.046 0.000 0.844 662 Q CB -0.202 28.507 28.738 -0.049 0.000 0.898 662 Q HN 0.548 nan 8.270 nan 0.000 0.426 663 R N -0.077 120.367 120.500 -0.092 0.000 2.081 663 R HA -0.127 4.215 4.340 0.003 0.000 0.235 663 R C 1.772 177.977 176.300 -0.159 0.000 1.131 663 R CA 1.960 57.971 56.100 -0.149 0.000 0.960 663 R CB -0.118 30.059 30.300 -0.205 0.000 0.856 663 R HN 0.418 nan 8.270 nan 0.000 0.436 664 N N -0.058 118.561 118.700 -0.134 0.000 2.223 664 N HA -0.149 4.593 4.740 0.003 0.000 0.185 664 N C 1.447 176.902 175.510 -0.092 0.000 1.016 664 N CA 1.163 54.139 53.050 -0.123 0.000 0.863 664 N CB 0.054 38.481 38.487 -0.100 0.000 0.983 664 N HN 0.323 nan 8.380 nan 0.000 0.429 665 E N 0.763 120.919 120.200 -0.073 0.000 2.077 665 E HA -0.159 4.193 4.350 0.003 0.000 0.193 665 E C 1.915 178.472 176.600 -0.072 0.000 0.989 665 E CA 0.748 57.111 56.400 -0.062 0.000 0.800 665 E CB -0.062 29.607 29.700 -0.051 0.000 0.746 665 E HN 0.363 nan 8.360 nan 0.000 0.452 666 L N 0.377 121.547 121.223 -0.088 0.000 1.989 666 L HA -0.233 4.109 4.340 0.003 0.000 0.211 666 L C 2.561 179.368 176.870 -0.105 0.000 1.071 666 L CA 0.665 55.446 54.840 -0.099 0.000 0.749 666 L CB -0.454 41.534 42.059 -0.118 0.000 0.890 666 L HN 0.199 nan 8.230 nan 0.000 0.431 667 L N -0.044 121.103 121.223 -0.125 0.000 2.079 667 L HA -0.246 4.096 4.340 0.003 0.000 0.210 667 L C 1.900 178.723 176.870 -0.080 0.000 1.081 667 L CA 1.859 56.628 54.840 -0.120 0.000 0.752 667 L CB -0.747 41.221 42.059 -0.151 0.000 0.896 667 L HN 0.257 nan 8.230 nan 0.000 0.433 668 D N -1.610 118.747 120.400 -0.073 0.000 2.355 668 D HA 0.047 4.689 4.640 0.003 0.000 0.218 668 D C 0.410 176.683 176.300 -0.045 0.000 1.004 668 D CA 0.237 54.206 54.000 -0.052 0.000 0.880 668 D CB 0.329 41.100 40.800 -0.048 0.000 0.911 668 D HN 0.093 nan 8.370 nan 0.000 0.528 669 V N 0.265 120.145 119.914 -0.056 0.000 2.483 669 V HA 0.127 4.249 4.120 0.003 0.000 0.295 669 V C 1.187 177.236 176.094 -0.075 0.000 1.035 669 V CA -0.121 62.146 62.300 -0.055 0.000 0.896 669 V CB 1.995 33.785 31.823 -0.056 0.000 0.986 669 V HN -0.112 nan 8.190 nan 0.000 0.447 670 S N 3.204 118.864 115.700 -0.065 0.000 2.436 670 S HA 0.042 4.514 4.470 0.003 0.000 0.228 670 S C 0.356 174.849 174.600 -0.179 0.000 1.014 670 S CA 0.648 58.785 58.200 -0.106 0.000 0.950 670 S CB -0.056 63.135 63.200 -0.015 0.000 0.784 670 S HN 0.868 nan 8.310 nan 0.000 0.504 671 D N 0.154 120.492 120.400 -0.103 0.000 2.686 671 D HA 0.275 4.917 4.640 0.003 0.000 0.249 671 D C -0.266 175.996 176.300 -0.064 0.000 1.260 671 D CA -0.315 53.636 54.000 -0.081 0.000 0.910 671 D CB 1.752 42.531 40.800 -0.035 0.000 1.323 671 D HN -0.118 nan 8.370 nan 0.000 0.561 672 V N 3.047 122.922 119.914 -0.065 0.000 3.542 672 V HA -0.013 4.109 4.120 0.003 0.000 0.296 672 V C 1.892 177.963 176.094 -0.039 0.000 1.364 672 V CA 0.439 62.706 62.300 -0.055 0.000 1.118 672 V CB 0.160 31.942 31.823 -0.067 0.000 0.972 672 V HN 0.524 nan 8.190 nan 0.000 0.430 673 S N 0.585 116.271 115.700 -0.024 0.000 2.365 673 S HA -0.307 4.165 4.470 0.003 0.000 0.225 673 S C 1.915 176.491 174.600 -0.040 0.000 1.039 673 S CA 2.226 60.417 58.200 -0.015 0.000 1.033 673 S CB -0.157 63.044 63.200 0.002 0.000 0.887 673 S HN 0.816 nan 8.310 nan 0.000 0.447 674 E N 0.416 120.593 120.200 -0.038 0.000 2.216 674 E HA -0.103 4.249 4.350 0.003 0.000 0.192 674 E C 1.688 178.258 176.600 -0.050 0.000 0.988 674 E CA 1.140 57.514 56.400 -0.044 0.000 0.834 674 E CB -0.107 29.572 29.700 -0.034 0.000 0.772 674 E HN 0.420 nan 8.360 nan 0.000 0.479 675 T N 1.947 116.473 114.554 -0.048 0.000 2.674 675 T HA -0.123 4.229 4.350 0.003 0.000 0.265 675 T C 1.876 176.540 174.700 -0.059 0.000 1.039 675 T CA 1.216 63.286 62.100 -0.050 0.000 1.150 675 T CB -0.084 68.755 68.868 -0.048 0.000 0.864 675 T HN 0.168 nan 8.240 nan 0.000 0.427 676 I N 2.357 122.887 120.570 -0.067 0.000 2.194 676 I HA -0.182 3.990 4.170 0.003 0.000 0.246 676 I C 2.203 178.241 176.117 -0.131 0.000 1.093 676 I CA 1.393 62.636 61.300 -0.095 0.000 1.355 676 I CB -1.295 36.642 38.000 -0.106 0.000 1.046 676 I HN 0.272 nan 8.210 nan 0.000 0.413 677 N N 0.480 119.107 118.700 -0.123 0.000 2.106 677 N HA -0.154 4.588 4.740 0.003 0.000 0.188 677 N C 2.083 177.521 175.510 -0.120 0.000 1.029 677 N CA 1.651 54.616 53.050 -0.141 0.000 0.848 677 N CB -0.427 37.995 38.487 -0.108 0.000 1.007 677 N HN 0.327 nan 8.380 nan 0.000 0.423 678 S N 1.837 117.486 115.700 -0.084 0.000 2.359 678 S HA -0.124 4.348 4.470 0.003 0.000 0.222 678 S C 2.068 176.633 174.600 -0.059 0.000 1.038 678 S CA 1.506 59.668 58.200 -0.064 0.000 1.051 678 S CB -0.475 62.697 63.200 -0.047 0.000 0.944 678 S HN 0.438 nan 8.310 nan 0.000 0.433 679 I N -0.434 120.104 120.570 -0.054 0.000 2.493 679 I HA -0.059 4.113 4.170 0.003 0.000 0.254 679 I C 2.562 178.661 176.117 -0.031 0.000 1.160 679 I CA 1.565 62.849 61.300 -0.028 0.000 1.445 679 I CB -0.551 37.441 38.000 -0.013 0.000 1.086 679 I HN 0.292 nan 8.210 nan 0.000 0.433 680 R N 1.426 121.864 120.500 -0.102 0.000 2.092 680 R HA -0.156 4.186 4.340 0.003 0.000 0.231 680 R C 2.083 178.288 176.300 -0.159 0.000 1.119 680 R CA 1.942 57.939 56.100 -0.173 0.000 0.970 680 R CB -0.089 29.997 30.300 -0.358 0.000 0.864 680 R HN 0.576 nan 8.270 nan 0.000 0.440 681 E N 0.330 120.449 120.200 -0.135 0.000 2.028 681 E HA -0.162 4.190 4.350 0.003 0.000 0.191 681 E C 1.661 178.271 176.600 0.017 0.000 0.988 681 E CA 1.231 57.585 56.400 -0.076 0.000 0.799 681 E CB -0.136 29.521 29.700 -0.072 0.000 0.755 681 E HN 0.313 nan 8.360 nan 0.000 0.447 682 D N 0.783 121.189 120.400 0.011 0.000 2.160 682 D HA -0.198 4.444 4.640 0.003 0.000 0.189 682 D C 2.116 178.469 176.300 0.088 0.000 1.003 682 D CA 1.335 55.357 54.000 0.038 0.000 0.846 682 D CB -0.526 40.291 40.800 0.028 0.000 0.949 682 D HN 0.026 nan 8.370 nan 0.000 0.446 683 V N 0.131 120.123 119.914 0.131 0.000 2.307 683 V HA -0.205 3.917 4.120 0.003 0.000 0.245 683 V C 2.301 178.539 176.094 0.241 0.000 1.045 683 V CA 1.321 63.755 62.300 0.224 0.000 1.024 683 V CB -0.604 31.385 31.823 0.276 0.000 0.651 683 V HN 0.149 nan 8.190 nan 0.000 0.449 684 F N 0.196 120.100 119.950 -0.077 0.000 2.234 684 F HA -0.149 4.380 4.527 0.004 0.000 0.299 684 F C 2.530 178.307 175.800 -0.038 0.000 1.087 684 F CA 1.693 59.624 58.000 -0.115 0.000 1.340 684 F CB -0.083 38.811 39.000 -0.178 0.000 1.031 684 F HN 0.029 nan 8.300 nan 0.000 0.500 685 K N 0.570 121.055 120.400 0.143 0.000 2.057 685 K HA -0.170 4.152 4.320 0.003 0.000 0.207 685 K C 2.120 178.747 176.600 0.045 0.000 1.049 685 K CA 1.322 57.651 56.287 0.069 0.000 0.931 685 K CB -0.195 32.333 32.500 0.048 0.000 0.714 685 K HN 0.233 nan 8.250 nan 0.000 0.440 686 A N 0.254 123.109 122.820 0.058 0.000 1.903 686 A HA -0.037 4.285 4.320 0.003 0.000 0.213 686 A C 2.101 179.709 177.584 0.040 0.000 1.185 686 A CA 1.558 53.616 52.037 0.036 0.000 0.628 686 A CB -0.715 18.308 19.000 0.040 0.000 0.830 686 A HN 0.368 nan 8.150 nan 0.000 0.446 687 T N 0.667 115.276 114.554 0.090 0.000 2.737 687 T HA -0.143 4.209 4.350 0.003 0.000 0.269 687 T C 1.718 176.512 174.700 0.157 0.000 1.040 687 T CA 1.783 63.967 62.100 0.139 0.000 1.142 687 T CB -0.407 68.563 68.868 0.170 0.000 0.861 687 T HN 0.434 nan 8.240 nan 0.000 0.456 688 I N 0.683 121.297 120.570 0.073 0.000 2.480 688 I HA -0.072 4.100 4.170 0.003 0.000 0.251 688 I C 2.251 178.380 176.117 0.019 0.000 1.124 688 I CA 0.676 62.014 61.300 0.063 0.000 1.444 688 I CB -0.326 37.660 38.000 -0.022 0.000 1.098 688 I HN 0.051 nan 8.210 nan 0.000 0.428 689 D N 1.712 122.102 120.400 -0.016 0.000 2.154 689 D HA -0.278 4.364 4.640 0.003 0.000 0.190 689 D C 2.281 178.526 176.300 -0.092 0.000 1.003 689 D CA 1.946 55.916 54.000 -0.050 0.000 0.849 689 D CB -0.397 40.381 40.800 -0.037 0.000 0.942 689 D HN 0.345 nan 8.370 nan 0.000 0.446 690 A N -0.468 122.262 122.820 -0.149 0.000 1.971 690 A HA -0.267 4.055 4.320 0.003 0.000 0.222 690 A C 1.904 179.188 177.584 -0.499 0.000 1.182 690 A CA 1.915 53.724 52.037 -0.380 0.000 0.649 690 A CB -0.860 17.790 19.000 -0.584 0.000 0.818 690 A HN 0.408 nan 8.150 nan 0.000 0.458 691 Y N -1.842 118.420 120.300 -0.064 0.000 2.539 691 Y HA 0.408 4.960 4.550 0.003 0.000 0.284 691 Y C 0.768 176.602 175.900 -0.110 0.000 1.134 691 Y CA -0.237 57.826 58.100 -0.062 0.000 1.251 691 Y CB 0.354 38.775 38.460 -0.064 0.000 1.260 691 Y HN 0.037 nan 8.280 nan 0.000 0.528 692 I N 3.353 123.870 120.570 -0.088 0.000 2.307 692 I HA 0.258 4.430 4.170 0.003 0.000 0.287 692 I C -2.595 173.413 176.117 -0.182 0.000 1.054 692 I CA -2.151 58.920 61.300 -0.381 0.000 1.218 692 I CB 1.036 38.573 38.000 -0.771 0.000 1.398 692 I HN -0.223 nan 8.210 nan 0.000 0.475 693 P HA 0.098 nan 4.420 nan 0.000 0.266 693 P C -2.371 174.953 177.300 0.041 0.000 1.215 693 P CA -1.001 62.112 63.100 0.022 0.000 0.763 693 P CB -0.175 31.576 31.700 0.085 0.000 0.806 694 P HA -0.142 nan 4.420 nan 0.000 0.257 694 P C 0.192 177.536 177.300 0.073 0.000 1.153 694 P CA 1.176 64.290 63.100 0.024 0.000 0.762 694 P CB -0.027 31.680 31.700 0.012 0.000 0.743 695 Q N -1.126 118.739 119.800 0.109 0.000 2.424 695 Q HA -0.168 4.174 4.340 0.003 0.000 0.234 695 Q C 0.251 176.362 176.000 0.184 0.000 0.748 695 Q CA 0.958 56.840 55.803 0.131 0.000 1.286 695 Q CB -2.373 26.408 28.738 0.071 0.000 1.494 695 Q HN 0.474 nan 8.270 nan 0.000 0.683 696 S N -0.242 115.646 115.700 0.312 0.000 2.614 696 S HA 0.484 4.956 4.470 0.003 0.000 0.265 696 S C 0.563 175.320 174.600 0.262 0.000 1.303 696 S CA -0.633 57.760 58.200 0.321 0.000 1.000 696 S CB 0.545 63.998 63.200 0.421 0.000 0.935 696 S HN 0.238 nan 8.310 nan 0.000 0.551 697 L N 2.437 123.672 121.223 0.020 0.000 2.506 697 L HA 0.076 4.418 4.340 0.003 0.000 0.281 697 L C 1.898 178.318 176.870 -0.749 0.000 1.228 697 L CA 0.645 55.351 54.840 -0.224 0.000 0.850 697 L CB 0.081 42.041 42.059 -0.164 0.000 1.110 697 L HN 0.835 nan 8.230 nan 0.000 0.496 698 E N 0.845 120.420 120.200 -1.041 0.000 2.187 698 E HA -0.277 4.075 4.350 0.003 0.000 0.199 698 E C 1.192 177.245 176.600 -0.912 0.000 1.004 698 E CA 1.902 57.351 56.400 -1.585 0.000 0.813 698 E CB 0.228 29.435 29.700 -0.822 0.000 0.736 698 E HN 0.732 nan 8.360 nan 0.000 0.468 699 E N -0.507 119.408 120.200 -0.474 0.000 2.482 699 E HA -0.021 4.331 4.350 0.003 0.000 0.196 699 E C 1.081 177.636 176.600 -0.076 0.000 1.047 699 E CA 0.386 56.666 56.400 -0.200 0.000 0.869 699 E CB 0.152 29.775 29.700 -0.128 0.000 0.836 699 E HN 0.305 nan 8.360 nan 0.000 0.520 700 M N 0.126 119.683 119.600 -0.073 0.000 2.639 700 M HA 0.052 4.534 4.480 0.003 0.000 0.220 700 M C -0.749 175.825 176.300 0.456 0.000 1.155 700 M CA 0.384 55.791 55.300 0.178 0.000 1.003 700 M CB -0.220 32.512 32.600 0.220 0.000 1.725 700 M HN 0.081 nan 8.290 nan 0.000 0.489 701 W N 0.692 122.016 121.300 0.041 0.000 2.475 701 W HA 0.349 5.011 4.660 0.004 0.000 0.317 701 W C -0.337 176.221 176.519 0.065 0.000 1.046 701 W CA -1.645 55.735 57.345 0.059 0.000 1.215 701 W CB 0.530 30.022 29.460 0.054 0.000 1.335 701 W HN -0.017 nan 8.180 nan 0.000 0.471 702 D N 2.710 123.281 120.400 0.285 0.000 2.392 702 D HA 0.361 5.003 4.640 0.003 0.000 0.228 702 D C 0.316 176.713 176.300 0.161 0.000 1.074 702 D CA -0.230 53.904 54.000 0.223 0.000 0.838 702 D CB 0.982 41.936 40.800 0.257 0.000 1.067 702 D HN 0.165 nan 8.370 nan 0.000 0.511 703 I N 3.663 124.278 120.570 0.076 0.000 2.899 703 I HA 0.225 4.397 4.170 0.003 0.000 0.257 703 I C -1.516 174.550 176.117 -0.084 0.000 1.115 703 I CA -0.464 60.815 61.300 -0.037 0.000 1.451 703 I CB -1.335 36.655 38.000 -0.016 0.000 1.251 703 I HN 0.287 nan 8.210 nan 0.000 0.456 704 P HA 0.039 nan 4.420 nan 0.000 0.196 704 P C 0.731 178.023 177.300 -0.014 0.000 1.360 704 P CA 1.403 64.488 63.100 -0.026 0.000 1.128 704 P CB -0.570 31.132 31.700 0.003 0.000 1.750 705 G N 0.077 108.824 108.800 -0.089 0.000 3.819 705 G HA2 -0.169 3.793 3.960 0.003 0.000 0.210 705 G HA3 -0.169 3.793 3.960 0.003 0.000 0.210 705 G C 0.423 175.000 174.900 -0.539 0.000 1.018 705 G CA 0.057 45.108 45.100 -0.081 0.000 0.882 705 G HN 0.390 nan 8.290 nan 0.000 0.377 706 L N 2.011 122.756 121.223 -0.796 0.000 2.004 706 L HA 0.229 4.571 4.340 0.003 0.000 0.205 706 L C 2.923 179.536 176.870 -0.428 0.000 1.089 706 L CA 3.140 57.404 54.840 -0.959 0.000 0.756 706 L CB -1.619 40.048 42.059 -0.653 0.000 0.900 706 L HN 0.545 nan 8.230 nan 0.000 0.440 707 Q N -0.181 119.460 119.800 -0.266 0.000 2.103 707 Q HA -0.277 4.065 4.340 0.003 0.000 0.213 707 Q C 1.660 177.585 176.000 -0.125 0.000 1.008 707 Q CA 2.251 57.958 55.803 -0.161 0.000 0.879 707 Q CB -1.010 27.641 28.738 -0.144 0.000 0.946 707 Q HN 0.595 nan 8.270 nan 0.000 0.413 708 E N 1.077 121.198 120.200 -0.132 0.000 2.033 708 E HA -0.232 4.121 4.350 0.003 0.000 0.199 708 E C 2.049 178.607 176.600 -0.070 0.000 1.011 708 E CA 1.600 57.949 56.400 -0.085 0.000 0.815 708 E CB -0.494 29.166 29.700 -0.067 0.000 0.755 708 E HN 0.478 nan 8.360 nan 0.000 0.451 709 R N 0.655 121.095 120.500 -0.100 0.000 2.096 709 R HA -0.118 4.225 4.340 0.003 0.000 0.240 709 R C 2.733 179.040 176.300 0.012 0.000 1.139 709 R CA 1.182 57.267 56.100 -0.025 0.000 0.952 709 R CB -0.419 29.898 30.300 0.029 0.000 0.854 709 R HN 0.141 nan 8.270 nan 0.000 0.436 710 L N 0.548 121.772 121.223 0.003 0.000 2.013 710 L HA -0.279 4.063 4.340 0.003 0.000 0.212 710 L C 2.434 179.366 176.870 0.104 0.000 1.073 710 L CA 1.882 56.775 54.840 0.089 0.000 0.753 710 L CB -0.291 41.761 42.059 -0.012 0.000 0.890 710 L HN 0.260 nan 8.230 nan 0.000 0.432 711 K N -0.635 119.785 120.400 0.033 0.000 2.025 711 K HA -0.128 4.194 4.320 0.003 0.000 0.207 711 K C 1.861 178.467 176.600 0.009 0.000 1.049 711 K CA 1.450 57.756 56.287 0.032 0.000 0.933 711 K CB -0.187 32.317 32.500 0.007 0.000 0.714 711 K HN 0.228 nan 8.250 nan 0.000 0.438 712 N N 0.975 119.663 118.700 -0.020 0.000 2.188 712 N HA -0.119 4.623 4.740 0.003 0.000 0.184 712 N C 0.897 176.338 175.510 -0.114 0.000 1.018 712 N CA 1.283 54.306 53.050 -0.046 0.000 0.858 712 N CB -0.037 38.429 38.487 -0.034 0.000 0.989 712 N HN 0.170 nan 8.380 nan 0.000 0.426 713 D N -1.687 118.581 120.400 -0.221 0.000 2.423 713 D HA 0.142 4.784 4.640 0.003 0.000 0.208 713 D C 0.138 175.891 176.300 -0.911 0.000 1.068 713 D CA 0.279 53.922 54.000 -0.596 0.000 0.860 713 D CB 0.300 40.619 40.800 -0.802 0.000 0.992 713 D HN 0.204 nan 8.370 nan 0.000 0.504 714 F N 0.292 120.225 119.950 -0.028 0.000 2.825 714 F HA 0.160 4.689 4.527 0.003 0.000 0.322 714 F C -0.083 175.746 175.800 0.049 0.000 1.127 714 F CA -0.682 57.324 58.000 0.010 0.000 1.164 714 F CB 0.415 39.426 39.000 0.017 0.000 1.101 714 F HN -0.347 nan 8.300 nan 0.000 0.529 715 D N 1.678 122.158 120.400 0.135 0.000 2.702 715 D HA -0.199 4.443 4.640 0.003 0.000 0.233 715 D C -0.625 175.760 176.300 0.143 0.000 1.164 715 D CA 0.758 54.825 54.000 0.112 0.000 0.638 715 D CB -0.844 40.016 40.800 0.100 0.000 1.041 715 D HN 0.142 nan 8.370 nan 0.000 0.422 716 L N 1.052 122.372 121.223 0.161 0.000 2.343 716 L HA 0.400 4.742 4.340 0.003 0.000 0.278 716 L C -0.679 176.260 176.870 0.116 0.000 0.996 716 L CA -0.449 54.489 54.840 0.162 0.000 0.831 716 L CB 1.850 44.035 42.059 0.210 0.000 1.232 716 L HN -0.137 nan 8.230 nan 0.000 0.413 717 D N 5.091 125.558 120.400 0.111 0.000 2.408 717 D HA 0.346 4.988 4.640 0.003 0.000 0.261 717 D C -1.463 174.913 176.300 0.126 0.000 1.190 717 D CA -0.247 53.801 54.000 0.080 0.000 0.910 717 D CB 0.777 41.613 40.800 0.060 0.000 1.097 717 D HN 0.169 nan 8.370 nan 0.000 0.522 718 L N 5.392 126.693 121.223 0.129 0.000 2.408 718 L HA 0.378 4.720 4.340 0.003 0.000 0.257 718 L C -2.092 174.659 176.870 -0.199 0.000 1.053 718 L CA -2.313 52.720 54.840 0.322 0.000 0.922 718 L CB 1.037 43.396 42.059 0.500 0.000 1.261 718 L HN 0.156 nan 8.230 nan 0.000 0.458 719 P HA -0.069 nan 4.420 nan 0.000 0.191 719 P C 1.321 177.665 177.300 -1.593 0.000 0.942 719 P CA 0.761 63.361 63.100 -0.834 0.000 1.312 719 P CB 0.026 31.360 31.700 -0.611 0.000 1.452 720 I N 2.318 122.285 120.570 -1.005 0.000 2.110 720 I HA -0.242 3.930 4.170 0.003 0.000 0.236 720 I C 2.368 178.126 176.117 -0.598 0.000 1.068 720 I CA 1.726 62.460 61.300 -0.944 0.000 1.333 720 I CB -0.761 37.058 38.000 -0.303 0.000 1.054 720 I HN 0.154 nan 8.210 nan 0.000 0.402 721 A N 0.520 123.159 122.820 -0.303 0.000 2.186 721 A HA -0.249 4.073 4.320 0.003 0.000 0.219 721 A C 2.203 179.716 177.584 -0.118 0.000 1.159 721 A CA 1.938 53.900 52.037 -0.123 0.000 0.680 721 A CB -0.883 18.075 19.000 -0.070 0.000 0.787 721 A HN 0.691 nan 8.150 nan 0.000 0.467 722 E N -1.123 118.923 120.200 -0.257 0.000 2.230 722 E HA -0.151 4.201 4.350 0.003 0.000 0.192 722 E C 1.682 178.349 176.600 0.111 0.000 0.987 722 E CA 0.412 56.743 56.400 -0.116 0.000 0.841 722 E CB -0.395 29.201 29.700 -0.174 0.000 0.783 722 E HN 0.833 nan 8.360 nan 0.000 0.481 723 W N 1.480 122.800 121.300 0.033 0.000 2.352 723 W HA -0.074 4.588 4.660 0.004 0.000 0.322 723 W C 2.077 178.620 176.519 0.039 0.000 1.208 723 W CA -0.102 57.263 57.345 0.034 0.000 1.286 723 W CB -0.376 29.108 29.460 0.039 0.000 1.167 723 W HN -0.023 nan 8.180 nan 0.000 0.469 724 L N 0.936 122.319 121.223 0.268 0.000 2.651 724 L HA -0.161 4.181 4.340 0.003 0.000 0.236 724 L C 0.787 177.724 176.870 0.110 0.000 1.173 724 L CA 1.092 56.041 54.840 0.181 0.000 0.843 724 L CB -0.875 41.290 42.059 0.176 0.000 0.964 724 L HN 0.112 nan 8.230 nan 0.000 0.454 725 D N -0.823 119.636 120.400 0.099 0.000 2.394 725 D HA -0.044 4.598 4.640 0.003 0.000 0.226 725 D C 2.227 178.569 176.300 0.070 0.000 0.990 725 D CA 0.384 54.423 54.000 0.065 0.000 0.902 725 D CB 0.388 41.214 40.800 0.042 0.000 1.038 725 D HN -0.052 nan 8.370 nan 0.000 0.499 726 K N 0.730 121.190 120.400 0.100 0.000 2.137 726 K HA 0.010 4.332 4.320 0.003 0.000 0.202 726 K C 0.206 176.848 176.600 0.070 0.000 1.052 726 K CA 0.707 57.046 56.287 0.086 0.000 0.961 726 K CB 0.269 32.834 32.500 0.110 0.000 0.741 726 K HN 0.342 nan 8.250 nan 0.000 0.452 727 E N 1.834 122.088 120.200 0.089 0.000 2.173 727 E HA 0.228 4.580 4.350 0.003 0.000 0.249 727 E C -2.705 173.927 176.600 0.053 0.000 0.923 727 E CA -2.215 54.219 56.400 0.057 0.000 0.754 727 E CB 1.281 31.011 29.700 0.051 0.000 1.177 727 E HN -0.096 nan 8.360 nan 0.000 0.430 728 P HA 0.197 nan 4.420 nan 0.000 0.234 728 P C -0.505 176.787 177.300 -0.014 0.000 1.799 728 P CA -0.166 62.947 63.100 0.022 0.000 1.118 728 P CB 0.479 32.191 31.700 0.021 0.000 1.827 729 E N 1.357 121.516 120.200 -0.069 0.000 1.337 729 E HA -0.098 4.254 4.350 0.003 0.000 0.210 729 E C 1.293 177.563 176.600 -0.551 0.000 1.024 729 E CA -0.248 56.014 56.400 -0.231 0.000 1.046 729 E CB -1.625 27.993 29.700 -0.136 0.000 4.653 729 E HN 0.146 nan 8.360 nan 0.000 0.704 730 L N 0.264 121.332 121.223 -0.259 0.000 2.127 730 L HA 0.210 4.552 4.340 0.003 0.000 0.211 730 L C 0.145 176.954 176.870 -0.102 0.000 1.089 730 L CA 1.564 56.301 54.840 -0.172 0.000 0.757 730 L CB -1.292 40.759 42.059 -0.014 0.000 0.899 730 L HN 0.326 nan 8.230 nan 0.000 0.434 731 H N -1.240 117.909 119.070 0.132 0.000 4.747 731 H HA -0.180 4.378 4.556 0.003 0.000 0.260 731 H C 0.767 176.207 175.328 0.187 0.000 0.537 731 H CA 0.435 56.585 56.048 0.170 0.000 0.689 731 H CB -0.480 29.352 29.762 0.117 0.000 0.913 731 H HN 0.332 nan 8.280 nan 0.000 0.306 732 E N 0.668 121.095 120.200 0.379 0.000 2.110 732 E HA -0.238 4.114 4.350 0.003 0.000 0.193 732 E C 1.902 178.568 176.600 0.110 0.000 0.988 732 E CA 1.522 58.060 56.400 0.231 0.000 0.804 732 E CB 0.089 29.922 29.700 0.222 0.000 0.745 732 E HN 0.454 nan 8.360 nan 0.000 0.458 733 E N 0.211 120.480 120.200 0.115 0.000 2.072 733 E HA -0.138 4.214 4.350 0.003 0.000 0.190 733 E C 2.042 178.679 176.600 0.062 0.000 0.982 733 E CA 2.044 58.486 56.400 0.070 0.000 0.803 733 E CB -0.628 29.110 29.700 0.063 0.000 0.755 733 E HN 0.315 nan 8.360 nan 0.000 0.453 734 T N -0.885 113.717 114.554 0.081 0.000 2.915 734 T HA -0.154 4.198 4.350 0.003 0.000 0.269 734 T C 1.937 176.667 174.700 0.051 0.000 1.071 734 T CA 1.457 63.590 62.100 0.055 0.000 1.132 734 T CB -0.481 68.417 68.868 0.050 0.000 0.878 734 T HN 0.278 nan 8.240 nan 0.000 0.479 735 L N -0.756 120.515 121.223 0.080 0.000 2.209 735 L HA 0.411 4.753 4.340 0.003 0.000 0.207 735 L C 2.698 179.606 176.870 0.063 0.000 1.094 735 L CA 0.737 55.629 54.840 0.086 0.000 0.790 735 L CB -0.643 41.500 42.059 0.140 0.000 0.932 735 L HN -0.022 nan 8.230 nan 0.000 0.447 736 R N 0.550 121.073 120.500 0.038 0.000 2.070 736 R HA -0.156 4.186 4.340 0.003 0.000 0.233 736 R C 2.292 178.617 176.300 0.041 0.000 1.137 736 R CA 1.962 58.082 56.100 0.033 0.000 0.945 736 R CB -0.549 29.759 30.300 0.013 0.000 0.845 736 R HN 0.502 nan 8.270 nan 0.000 0.430 737 E N 0.137 120.352 120.200 0.024 0.000 2.113 737 E HA -0.300 4.052 4.350 0.003 0.000 0.210 737 E C 2.094 178.694 176.600 0.000 0.000 1.040 737 E CA 1.923 58.327 56.400 0.006 0.000 0.847 737 E CB -0.013 29.690 29.700 0.005 0.000 0.755 737 E HN 0.262 nan 8.360 nan 0.000 0.459 738 R N -0.221 120.284 120.500 0.008 0.000 2.119 738 R HA 0.038 4.380 4.340 0.003 0.000 0.222 738 R C 2.412 178.726 176.300 0.023 0.000 1.088 738 R CA 0.643 56.735 56.100 -0.013 0.000 0.984 738 R CB -0.082 30.186 30.300 -0.054 0.000 0.884 738 R HN 0.209 nan 8.270 nan 0.000 0.447 739 I N 0.695 121.315 120.570 0.083 0.000 2.163 739 I HA -0.304 3.868 4.170 0.003 0.000 0.243 739 I C 2.205 178.422 176.117 0.166 0.000 1.085 739 I CA 1.000 62.395 61.300 0.158 0.000 1.347 739 I CB -0.253 37.858 38.000 0.186 0.000 1.044 739 I HN 0.155 nan 8.210 nan 0.000 0.408 740 L N 1.329 122.603 121.223 0.086 0.000 1.990 740 L HA -0.246 4.096 4.340 0.003 0.000 0.213 740 L C 2.624 179.404 176.870 -0.149 0.000 1.072 740 L CA 2.346 57.102 54.840 -0.139 0.000 0.755 740 L CB -0.826 41.151 42.059 -0.137 0.000 0.889 740 L HN 0.222 nan 8.230 nan 0.000 0.432 741 A N -1.324 121.453 122.820 -0.071 0.000 1.917 741 A HA -0.280 4.042 4.320 0.003 0.000 0.219 741 A C 2.225 179.784 177.584 -0.042 0.000 1.182 741 A CA 1.955 53.955 52.037 -0.062 0.000 0.633 741 A CB -0.688 18.283 19.000 -0.048 0.000 0.819 741 A HN 0.654 nan 8.150 nan 0.000 0.448 742 Q N -0.104 119.691 119.800 -0.008 0.000 2.124 742 Q HA -0.145 4.197 4.340 0.003 0.000 0.202 742 Q C 2.613 178.637 176.000 0.039 0.000 0.977 742 Q CA 1.895 57.712 55.803 0.024 0.000 0.850 742 Q CB -0.428 28.350 28.738 0.066 0.000 0.901 742 Q HN 0.859 nan 8.270 nan 0.000 0.429 743 S N 0.148 115.857 115.700 0.015 0.000 2.371 743 S HA -0.066 4.406 4.470 0.003 0.000 0.224 743 S C 2.068 176.648 174.600 -0.034 0.000 1.029 743 S CA 0.605 58.807 58.200 0.004 0.000 0.978 743 S CB -0.471 62.646 63.200 -0.137 0.000 0.833 743 S HN 0.305 nan 8.310 nan 0.000 0.466 744 I N 3.045 123.551 120.570 -0.106 0.000 2.208 744 I HA -0.246 3.926 4.170 0.003 0.000 0.245 744 I C 2.935 179.084 176.117 0.052 0.000 1.097 744 I CA 2.040 63.306 61.300 -0.057 0.000 1.363 744 I CB -0.585 37.355 38.000 -0.099 0.000 1.051 744 I HN 0.650 nan 8.210 nan 0.000 0.413 745 E N 1.336 121.553 120.200 0.029 0.000 2.028 745 E HA -0.168 4.184 4.350 0.003 0.000 0.191 745 E C 2.124 178.761 176.600 0.061 0.000 0.988 745 E CA 1.623 58.045 56.400 0.036 0.000 0.799 745 E CB -0.548 29.159 29.700 0.010 0.000 0.755 745 E HN 0.266 nan 8.360 nan 0.000 0.447 746 V N 0.411 120.371 119.914 0.077 0.000 2.688 746 V HA -0.254 3.868 4.120 0.003 0.000 0.256 746 V C 2.112 178.273 176.094 0.113 0.000 1.084 746 V CA 1.969 64.320 62.300 0.086 0.000 1.103 746 V CB -0.958 30.928 31.823 0.104 0.000 0.688 746 V HN 0.360 nan 8.190 nan 0.000 0.480 747 Y N 0.719 121.022 120.300 0.005 0.000 2.243 747 Y HA -0.148 4.404 4.550 0.003 0.000 0.293 747 Y C 2.661 178.562 175.900 0.002 0.000 1.124 747 Y CA 1.551 59.655 58.100 0.008 0.000 1.159 747 Y CB 0.074 38.532 38.460 -0.004 0.000 1.008 747 Y HN 0.237 nan 8.280 nan 0.000 0.527 748 Q N -0.368 119.479 119.800 0.077 0.000 2.224 748 Q HA -0.148 4.194 4.340 0.003 0.000 0.203 748 Q C 2.069 178.036 176.000 -0.055 0.000 0.970 748 Q CA 1.145 56.949 55.803 0.003 0.000 0.865 748 Q CB -0.006 28.759 28.738 0.045 0.000 0.922 748 Q HN 0.377 nan 8.270 nan 0.000 0.445 749 R N 0.706 121.180 120.500 -0.043 0.000 2.073 749 R HA -0.049 4.293 4.340 0.003 0.000 0.229 749 R C 2.010 178.259 176.300 -0.085 0.000 1.120 749 R CA 1.133 57.204 56.100 -0.048 0.000 0.967 749 R CB 0.033 30.319 30.300 -0.023 0.000 0.862 749 R HN 0.079 nan 8.270 nan 0.000 0.436 750 K N 0.305 120.629 120.400 -0.127 0.000 2.063 750 K HA -0.234 4.088 4.320 0.003 0.000 0.208 750 K C 2.033 178.511 176.600 -0.203 0.000 1.048 750 K CA 1.705 57.887 56.287 -0.176 0.000 0.928 750 K CB -0.071 32.289 32.500 -0.232 0.000 0.713 750 K HN 0.266 nan 8.250 nan 0.000 0.442 751 E N 1.287 121.341 120.200 -0.243 0.000 2.150 751 E HA -0.205 4.147 4.350 0.003 0.000 0.193 751 E C 1.871 178.411 176.600 -0.100 0.000 0.985 751 E CA 1.194 57.483 56.400 -0.186 0.000 0.814 751 E CB 0.162 29.753 29.700 -0.182 0.000 0.752 751 E HN 0.409 nan 8.360 nan 0.000 0.466 752 E N -0.036 120.116 120.200 -0.080 0.000 2.299 752 E HA -0.078 4.274 4.350 0.003 0.000 0.193 752 E C 1.970 178.538 176.600 -0.054 0.000 0.998 752 E CA 0.684 57.053 56.400 -0.052 0.000 0.851 752 E CB 0.147 29.825 29.700 -0.037 0.000 0.795 752 E HN 0.143 nan 8.360 nan 0.000 0.492 753 V N 1.305 121.178 119.914 -0.069 0.000 2.295 753 V HA -0.202 3.920 4.120 0.003 0.000 0.246 753 V C 2.333 178.384 176.094 -0.071 0.000 1.049 753 V CA 1.467 63.727 62.300 -0.067 0.000 1.024 753 V CB -0.111 31.666 31.823 -0.076 0.000 0.648 753 V HN 0.196 nan 8.190 nan 0.000 0.447 754 V N -1.092 118.768 119.914 -0.090 0.000 2.685 754 V HA 0.476 4.598 4.120 0.003 0.000 0.244 754 V C 0.964 177.022 176.094 -0.059 0.000 1.054 754 V CA 1.170 63.416 62.300 -0.091 0.000 1.076 754 V CB 0.012 31.752 31.823 -0.137 0.000 0.725 754 V HN 0.799 nan 8.190 nan 0.000 0.467 755 G N -1.077 107.693 108.800 -0.050 0.000 2.770 755 G HA2 0.191 4.154 3.960 0.003 0.000 0.686 755 G HA3 0.191 4.154 3.960 0.003 0.000 0.686 755 G C 0.386 175.283 174.900 -0.006 0.000 1.180 755 G CA -0.242 44.843 45.100 -0.024 0.000 0.767 755 G HN 0.582 nan 8.290 nan 0.000 0.646 756 A N 1.044 123.870 122.820 0.010 0.000 1.873 756 A HA -0.046 4.276 4.320 0.003 0.000 0.218 756 A C 2.232 179.863 177.584 0.078 0.000 1.193 756 A CA 2.437 54.496 52.037 0.037 0.000 0.629 756 A CB -0.407 18.615 19.000 0.037 0.000 0.826 756 A HN 0.842 nan 8.150 nan 0.000 0.447 757 E N -1.087 119.160 120.200 0.078 0.000 2.049 757 E HA -0.240 4.112 4.350 0.003 0.000 0.198 757 E C 1.961 178.674 176.600 0.187 0.000 1.007 757 E CA 1.674 58.154 56.400 0.133 0.000 0.809 757 E CB -0.484 29.244 29.700 0.047 0.000 0.749 757 E HN 0.533 nan 8.360 nan 0.000 0.450 758 M N -0.054 119.602 119.600 0.092 0.000 2.117 758 M HA -0.127 4.355 4.480 0.003 0.000 0.262 758 M C 2.173 178.575 176.300 0.169 0.000 1.065 758 M CA 1.302 56.659 55.300 0.095 0.000 1.114 758 M CB -0.380 32.230 32.600 0.015 0.000 1.361 758 M HN 0.098 nan 8.290 nan 0.000 0.408 759 M N -0.506 119.167 119.600 0.122 0.000 2.123 759 M HA -0.092 4.390 4.480 0.003 0.000 0.263 759 M C 1.901 178.336 176.300 0.225 0.000 1.069 759 M CA 1.616 57.001 55.300 0.142 0.000 1.133 759 M CB -0.340 32.280 32.600 0.033 0.000 1.356 759 M HN 0.063 nan 8.290 nan 0.000 0.415 760 R N -0.485 120.121 120.500 0.177 0.000 2.091 760 R HA -0.154 4.188 4.340 0.003 0.000 0.238 760 R C 2.259 178.592 176.300 0.054 0.000 1.136 760 R CA 1.726 57.890 56.100 0.107 0.000 0.959 760 R CB -1.545 28.794 30.300 0.065 0.000 0.856 760 R HN 0.623 nan 8.270 nan 0.000 0.437 761 H N -1.268 117.874 119.070 0.119 0.000 2.470 761 H HA -0.046 4.511 4.556 0.002 0.000 0.289 761 H C 1.842 177.262 175.328 0.154 0.000 1.033 761 H CA 0.813 56.930 56.048 0.114 0.000 1.331 761 H CB -0.127 29.694 29.762 0.097 0.000 1.414 761 H HN 0.105 nan 8.280 nan 0.000 0.545 762 F N 2.380 122.420 119.950 0.149 0.000 2.113 762 F HA -0.133 4.396 4.527 0.002 0.000 0.297 762 F C 2.220 178.080 175.800 0.100 0.000 1.103 762 F CA 1.281 59.346 58.000 0.108 0.000 1.248 762 F CB -0.089 38.959 39.000 0.079 0.000 0.999 762 F HN 0.007 nan 8.300 nan 0.000 0.475 763 E N 0.193 120.440 120.200 0.078 0.000 2.097 763 E HA -0.309 4.043 4.350 0.003 0.000 0.196 763 E C 2.171 178.719 176.600 -0.088 0.000 1.000 763 E CA 1.705 58.096 56.400 -0.015 0.000 0.804 763 E CB -0.255 29.499 29.700 0.090 0.000 0.740 763 E HN 0.411 nan 8.360 nan 0.000 0.454 764 K N 0.301 120.665 120.400 -0.060 0.000 2.057 764 K HA -0.105 4.217 4.320 0.003 0.000 0.206 764 K C 2.184 178.761 176.600 -0.038 0.000 1.050 764 K CA 1.419 57.666 56.287 -0.067 0.000 0.935 764 K CB -0.232 32.211 32.500 -0.095 0.000 0.715 764 K HN 0.146 nan 8.250 nan 0.000 0.439 765 G N 0.501 109.301 108.800 -0.001 0.000 2.418 765 G HA2 -0.195 3.767 3.960 0.003 0.000 0.217 765 G HA3 -0.195 3.767 3.960 0.003 0.000 0.217 765 G C 1.476 176.383 174.900 0.011 0.000 1.158 765 G CA 0.868 46.029 45.100 0.102 0.000 0.771 765 G HN 0.197 nan 8.290 nan 0.000 0.545 766 V N 1.123 120.901 119.914 -0.227 0.000 2.287 766 V HA -0.233 3.889 4.120 0.003 0.000 0.248 766 V C 2.932 178.981 176.094 -0.075 0.000 1.053 766 V CA 2.085 64.255 62.300 -0.216 0.000 1.027 766 V CB -0.389 31.212 31.823 -0.370 0.000 0.646 766 V HN 0.377 nan 8.190 nan 0.000 0.447 767 M N -0.996 118.559 119.600 -0.075 0.000 2.086 767 M HA -0.161 4.321 4.480 0.003 0.000 0.261 767 M C 2.257 178.526 176.300 -0.051 0.000 1.067 767 M CA 1.937 57.205 55.300 -0.054 0.000 1.116 767 M CB -0.532 32.028 32.600 -0.067 0.000 1.348 767 M HN 0.275 nan 8.290 nan 0.000 0.407 768 L N -0.218 120.959 121.223 -0.077 0.000 2.017 768 L HA -0.254 4.088 4.340 0.003 0.000 0.208 768 L C 2.678 179.526 176.870 -0.038 0.000 1.073 768 L CA 1.575 56.304 54.840 -0.186 0.000 0.745 768 L CB -0.680 41.078 42.059 -0.500 0.000 0.894 768 L HN 0.423 nan 8.230 nan 0.000 0.432 769 Q N -0.566 119.335 119.800 0.167 0.000 2.123 769 Q HA -0.162 4.180 4.340 0.003 0.000 0.199 769 Q C 2.005 178.087 176.000 0.137 0.000 0.966 769 Q CA 1.915 57.876 55.803 0.264 0.000 0.845 769 Q CB 0.101 28.980 28.738 0.235 0.000 0.907 769 Q HN 0.451 nan 8.270 nan 0.000 0.439 770 T N 1.663 116.264 114.554 0.079 0.000 2.821 770 T HA -0.138 4.214 4.350 0.003 0.000 0.267 770 T C 1.752 176.501 174.700 0.083 0.000 1.046 770 T CA 1.106 63.247 62.100 0.070 0.000 1.139 770 T CB -0.252 68.642 68.868 0.044 0.000 0.871 770 T HN 0.334 nan 8.240 nan 0.000 0.454 771 L N 0.923 122.181 121.223 0.059 0.000 2.046 771 L HA -0.141 4.201 4.340 0.003 0.000 0.208 771 L C 1.984 178.952 176.870 0.162 0.000 1.077 771 L CA 1.729 56.611 54.840 0.070 0.000 0.747 771 L CB -0.318 41.737 42.059 -0.005 0.000 0.896 771 L HN 0.087 nan 8.230 nan 0.000 0.432 772 D N -0.596 119.893 120.400 0.149 0.000 2.117 772 D HA -0.131 4.511 4.640 0.003 0.000 0.198 772 D C 2.388 178.836 176.300 0.246 0.000 0.982 772 D CA 1.368 55.507 54.000 0.231 0.000 0.828 772 D CB 0.044 40.961 40.800 0.195 0.000 0.967 772 D HN 0.293 nan 8.370 nan 0.000 0.464 773 S N 0.321 116.131 115.700 0.183 0.000 2.356 773 S HA -0.063 4.409 4.470 0.003 0.000 0.223 773 S C 2.154 176.843 174.600 0.148 0.000 1.032 773 S CA 0.603 58.890 58.200 0.145 0.000 1.005 773 S CB -0.171 63.098 63.200 0.115 0.000 0.867 773 S HN 0.224 nan 8.310 nan 0.000 0.449 774 L N 0.067 121.392 121.223 0.170 0.000 2.156 774 L HA -0.031 4.311 4.340 0.003 0.000 0.208 774 L C 2.276 179.296 176.870 0.250 0.000 1.095 774 L CA 0.815 55.756 54.840 0.169 0.000 0.770 774 L CB -0.315 41.830 42.059 0.143 0.000 0.914 774 L HN 0.538 nan 8.230 nan 0.000 0.439 775 W N 1.648 123.004 121.300 0.093 0.000 2.379 775 W HA -0.215 4.448 4.660 0.004 0.000 0.307 775 W C 2.217 178.824 176.519 0.145 0.000 1.200 775 W CA 1.301 58.725 57.345 0.131 0.000 1.297 775 W CB 0.068 29.608 29.460 0.133 0.000 1.140 775 W HN 0.060 nan 8.180 nan 0.000 0.507 776 K N 0.375 120.774 120.400 -0.001 0.000 2.057 776 K HA -0.262 4.060 4.320 0.003 0.000 0.207 776 K C 1.967 178.484 176.600 -0.138 0.000 1.049 776 K CA 1.901 58.116 56.287 -0.120 0.000 0.931 776 K CB -0.577 31.932 32.500 0.015 0.000 0.714 776 K HN 0.191 nan 8.250 nan 0.000 0.440 777 E N 0.259 120.437 120.200 -0.036 0.000 2.070 777 E HA -0.299 4.053 4.350 0.003 0.000 0.197 777 E C 2.067 178.616 176.600 -0.085 0.000 1.004 777 E CA 1.618 58.001 56.400 -0.028 0.000 0.805 777 E CB -0.066 29.662 29.700 0.046 0.000 0.744 777 E HN 0.331 nan 8.360 nan 0.000 0.451 778 H N -0.326 118.643 119.070 -0.169 0.000 2.321 778 H HA -0.123 4.435 4.556 0.003 0.000 0.300 778 H C 1.864 176.972 175.328 -0.367 0.000 1.087 778 H CA 1.607 57.528 56.048 -0.212 0.000 1.319 778 H CB -0.184 29.474 29.762 -0.174 0.000 1.379 778 H HN 0.137 nan 8.280 nan 0.000 0.501 779 L N 0.355 121.225 121.223 -0.589 0.000 2.079 779 L HA -0.115 4.227 4.340 0.003 0.000 0.210 779 L C 2.619 179.208 176.870 -0.470 0.000 1.081 779 L CA 1.872 56.357 54.840 -0.592 0.000 0.752 779 L CB -1.610 40.099 42.059 -0.584 0.000 0.896 779 L HN 0.504 nan 8.230 nan 0.000 0.433 780 A N -1.148 121.417 122.820 -0.424 0.000 1.898 780 A HA 0.021 4.343 4.320 0.003 0.000 0.214 780 A C 2.464 179.678 177.584 -0.618 0.000 1.183 780 A CA 1.312 53.033 52.037 -0.527 0.000 0.622 780 A CB -0.661 18.108 19.000 -0.384 0.000 0.824 780 A HN 0.358 nan 8.150 nan 0.000 0.444 781 A N -0.839 121.761 122.820 -0.366 0.000 1.933 781 A HA -0.090 4.232 4.320 0.003 0.000 0.218 781 A C 2.116 179.576 177.584 -0.208 0.000 1.175 781 A CA 1.916 53.834 52.037 -0.198 0.000 0.628 781 A CB -0.445 18.489 19.000 -0.111 0.000 0.814 781 A HN 0.402 nan 8.150 nan 0.000 0.444 782 M N -0.242 119.150 119.600 -0.347 0.000 2.175 782 M HA -0.091 4.392 4.480 0.003 0.000 0.264 782 M C 1.691 177.912 176.300 -0.132 0.000 1.063 782 M CA 1.061 56.233 55.300 -0.213 0.000 1.119 782 M CB -1.541 30.874 32.600 -0.309 0.000 1.377 782 M HN 0.439 nan 8.290 nan 0.000 0.415 783 D N -0.325 119.910 120.400 -0.276 0.000 2.126 783 D HA -0.224 4.418 4.640 0.003 0.000 0.190 783 D C 1.932 178.150 176.300 -0.138 0.000 1.001 783 D CA 1.632 55.465 54.000 -0.278 0.000 0.841 783 D CB 0.017 40.516 40.800 -0.501 0.000 0.949 783 D HN 0.285 nan 8.370 nan 0.000 0.446 784 Y N 0.959 121.176 120.300 -0.138 0.000 2.145 784 Y HA -0.092 4.460 4.550 0.004 0.000 0.286 784 Y C 2.590 178.465 175.900 -0.041 0.000 1.145 784 Y CA 0.271 58.310 58.100 -0.101 0.000 1.148 784 Y CB -0.995 37.373 38.460 -0.154 0.000 0.981 784 Y HN 0.017 nan 8.280 nan 0.000 0.507 785 L N -0.503 120.806 121.223 0.144 0.000 2.042 785 L HA -0.280 4.062 4.340 0.003 0.000 0.210 785 L C 2.616 179.510 176.870 0.041 0.000 1.076 785 L CA 1.451 56.375 54.840 0.139 0.000 0.749 785 L CB -0.398 41.792 42.059 0.219 0.000 0.893 785 L HN 0.184 nan 8.230 nan 0.000 0.432 786 R N -0.369 120.078 120.500 -0.088 0.000 2.096 786 R HA -0.199 4.143 4.340 0.003 0.000 0.235 786 R C 2.258 178.327 176.300 -0.384 0.000 1.127 786 R CA 1.745 57.621 56.100 -0.374 0.000 0.968 786 R CB -0.098 29.943 30.300 -0.433 0.000 0.861 786 R HN 0.611 nan 8.270 nan 0.000 0.440 787 Q N -1.318 118.385 119.800 -0.161 0.000 2.373 787 Q HA 0.063 4.405 4.340 0.003 0.000 0.210 787 Q C 1.927 177.963 176.000 0.060 0.000 0.913 787 Q CA 0.884 56.671 55.803 -0.025 0.000 0.911 787 Q CB 0.003 28.828 28.738 0.144 0.000 1.040 787 Q HN 0.197 nan 8.270 nan 0.000 0.521 788 G N 2.168 111.005 108.800 0.062 0.000 2.476 788 G HA2 -0.216 3.746 3.960 0.003 0.000 0.218 788 G HA3 -0.216 3.746 3.960 0.003 0.000 0.218 788 G C 0.897 175.822 174.900 0.043 0.000 1.164 788 G CA 0.671 45.813 45.100 0.070 0.000 0.768 788 G HN 0.315 nan 8.290 nan 0.000 0.560 789 I N 0.880 121.439 120.570 -0.017 0.000 2.967 789 I HA 0.237 4.409 4.170 0.003 0.000 0.284 789 I C 1.038 177.040 176.117 -0.193 0.000 1.145 789 I CA 0.009 61.278 61.300 -0.052 0.000 1.704 789 I CB -0.428 37.565 38.000 -0.011 0.000 1.385 789 I HN 0.203 nan 8.210 nan 0.000 0.673 790 H N 0.267 119.317 119.070 -0.033 0.000 2.521 790 H HA 0.380 4.938 4.556 0.003 0.000 0.267 790 H C 0.579 175.898 175.328 -0.015 0.000 0.963 790 H CA 0.161 56.183 56.048 -0.043 0.000 1.175 790 H CB 0.902 30.633 29.762 -0.053 0.000 1.450 790 H HN 0.167 nan 8.280 nan 0.000 0.472 791 L N 0.976 122.273 121.223 0.123 0.000 3.165 791 L HA 0.239 4.581 4.340 0.003 0.000 0.327 791 L C 0.869 177.766 176.870 0.046 0.000 1.294 791 L CA 0.073 54.949 54.840 0.061 0.000 0.838 791 L CB 0.331 42.408 42.059 0.030 0.000 1.274 791 L HN 0.018 nan 8.230 nan 0.000 0.590 792 R N 0.294 120.831 120.500 0.061 0.000 2.241 792 R HA 0.215 4.557 4.340 0.003 0.000 0.224 792 R C 0.525 176.865 176.300 0.067 0.000 1.101 792 R CA 0.834 56.972 56.100 0.064 0.000 0.995 792 R CB 0.163 30.511 30.300 0.080 0.000 0.870 792 R HN 0.478 nan 8.270 nan 0.000 0.463 793 G N -1.538 107.308 108.800 0.078 0.000 2.376 793 G HA2 0.276 4.238 3.960 0.003 0.000 0.302 793 G HA3 0.276 4.238 3.960 0.003 0.000 0.302 793 G C -1.651 173.346 174.900 0.162 0.000 1.586 793 G CA -0.946 44.206 45.100 0.086 0.000 0.907 793 G HN 0.142 nan 8.290 nan 0.000 0.655 794 Y N -2.036 118.271 120.300 0.012 0.000 2.561 794 Y HA 0.039 4.591 4.550 0.003 0.000 0.022 794 Y C 0.704 176.614 175.900 0.017 0.000 1.761 794 Y CA 0.526 58.633 58.100 0.011 0.000 1.381 794 Y CB -0.557 37.907 38.460 0.007 0.000 2.030 794 Y HN 1.931 nan 8.280 nan 0.000 0.262 795 A N 4.803 127.737 122.820 0.190 0.000 2.923 795 A HA 0.601 4.923 4.320 0.003 0.000 0.306 795 A C 0.184 177.862 177.584 0.156 0.000 1.542 795 A CA 0.351 52.469 52.037 0.136 0.000 1.225 795 A CB 0.403 19.452 19.000 0.082 0.000 1.147 795 A HN 0.555 nan 8.150 nan 0.000 0.542 796 Q N 0.088 119.967 119.800 0.130 0.000 2.958 796 Q HA 0.096 4.438 4.340 0.003 0.000 0.332 796 Q C -1.105 174.902 176.000 0.013 0.000 0.782 796 Q CA -0.917 54.923 55.803 0.062 0.000 0.958 796 Q CB 0.503 29.266 28.738 0.043 0.000 1.372 796 Q HN 0.660 nan 8.270 nan 0.000 0.485 797 K N 2.152 122.508 120.400 -0.073 0.000 2.378 797 K HA -0.184 4.138 4.320 0.003 0.000 0.250 797 K C -0.434 176.158 176.600 -0.013 0.000 1.125 797 K CA 0.633 56.880 56.287 -0.068 0.000 1.192 797 K CB -0.059 32.360 32.500 -0.135 0.000 0.751 797 K HN 0.312 nan 8.250 nan 0.000 0.502 798 D N 5.530 125.929 120.400 -0.001 0.000 2.518 798 D HA -0.074 4.568 4.640 0.003 0.000 0.270 798 D C -1.296 175.030 176.300 0.043 0.000 1.338 798 D CA -1.554 52.459 54.000 0.021 0.000 0.983 798 D CB 0.730 41.536 40.800 0.009 0.000 1.126 798 D HN 0.290 nan 8.370 nan 0.000 0.543 799 P HA -0.210 nan 4.420 nan 0.000 0.215 799 P C 0.434 177.819 177.300 0.141 0.000 1.163 799 P CA 1.292 64.460 63.100 0.115 0.000 0.894 799 P CB -0.022 31.756 31.700 0.130 0.000 0.791 800 K N -0.832 119.635 120.400 0.113 0.000 2.258 800 K HA 0.039 4.361 4.320 0.003 0.000 0.264 800 K C 0.638 177.214 176.600 -0.040 0.000 1.007 800 K CA -0.059 56.197 56.287 -0.052 0.000 0.941 800 K CB 0.620 32.961 32.500 -0.265 0.000 0.966 800 K HN -0.145 nan 8.250 nan 0.000 0.480 801 Q N 0.217 119.981 119.800 -0.060 0.000 6.606 801 Q HA -0.258 4.084 4.340 0.003 0.000 0.318 801 Q C 1.326 177.334 176.000 0.013 0.000 1.854 801 Q CA 2.165 57.957 55.803 -0.017 0.000 0.454 801 Q CB -1.804 26.927 28.738 -0.012 0.000 0.175 801 Q HN 0.880 nan 8.270 nan 0.000 0.765 802 E N 0.366 120.590 120.200 0.040 0.000 2.153 802 E HA -0.120 4.232 4.350 0.003 0.000 0.194 802 E C 1.841 178.486 176.600 0.076 0.000 0.988 802 E CA 1.978 58.410 56.400 0.053 0.000 0.811 802 E CB -0.358 29.379 29.700 0.061 0.000 0.746 802 E HN 0.573 nan 8.360 nan 0.000 0.466 803 Y N 0.639 120.939 120.300 0.000 0.000 2.184 803 Y HA -0.044 4.508 4.550 0.003 0.000 0.290 803 Y C 1.825 177.712 175.900 -0.023 0.000 1.129 803 Y CA 1.675 59.781 58.100 0.009 0.000 1.144 803 Y CB -0.045 38.452 38.460 0.061 0.000 0.995 803 Y HN -0.112 nan 8.280 nan 0.000 0.513 804 K N 0.364 120.605 120.400 -0.266 0.000 2.059 804 K HA -0.244 4.078 4.320 0.003 0.000 0.212 804 K C 2.193 178.759 176.600 -0.057 0.000 1.050 804 K CA 2.198 58.338 56.287 -0.245 0.000 0.927 804 K CB -0.237 32.251 32.500 -0.020 0.000 0.714 804 K HN 0.360 nan 8.250 nan 0.000 0.447 805 R N 0.793 121.291 120.500 -0.002 0.000 2.075 805 R HA -0.125 4.217 4.340 0.003 0.000 0.232 805 R C 2.163 178.483 176.300 0.033 0.000 1.126 805 R CA 1.513 57.646 56.100 0.054 0.000 0.963 805 R CB -0.120 30.200 30.300 0.033 0.000 0.858 805 R HN 0.354 nan 8.270 nan 0.000 0.435 806 E N -0.072 120.105 120.200 -0.039 0.000 2.158 806 E HA -0.094 4.258 4.350 0.003 0.000 0.191 806 E C 1.955 178.527 176.600 -0.047 0.000 0.982 806 E CA 0.912 57.304 56.400 -0.013 0.000 0.823 806 E CB 0.021 29.725 29.700 0.007 0.000 0.766 806 E HN 0.113 nan 8.360 nan 0.000 0.468 807 S N 0.030 115.592 115.700 -0.230 0.000 2.355 807 S HA -0.129 4.343 4.470 0.003 0.000 0.222 807 S C 1.657 176.222 174.600 -0.059 0.000 1.031 807 S CA 0.909 58.941 58.200 -0.280 0.000 0.993 807 S CB -0.187 62.563 63.200 -0.751 0.000 0.859 807 S HN 0.164 nan 8.310 nan 0.000 0.453 808 F N 1.646 121.577 119.950 -0.032 0.000 2.293 808 F HA 0.082 4.611 4.527 0.003 0.000 0.300 808 F C 2.936 178.811 175.800 0.125 0.000 1.086 808 F CA 1.039 59.077 58.000 0.062 0.000 1.375 808 F CB -0.818 38.178 39.000 -0.006 0.000 1.045 808 F HN 0.298 nan 8.300 nan 0.000 0.516 809 S N -0.118 115.729 115.700 0.246 0.000 2.368 809 S HA -0.185 4.287 4.470 0.003 0.000 0.224 809 S C 2.088 176.779 174.600 0.153 0.000 1.029 809 S CA 1.153 59.451 58.200 0.164 0.000 0.988 809 S CB -0.193 63.068 63.200 0.102 0.000 0.838 809 S HN 0.334 nan 8.310 nan 0.000 0.462 810 M N -0.170 119.533 119.600 0.172 0.000 2.175 810 M HA 0.027 4.509 4.480 0.003 0.000 0.264 810 M C 1.942 178.364 176.300 0.204 0.000 1.063 810 M CA 1.404 56.817 55.300 0.188 0.000 1.119 810 M CB -0.519 32.211 32.600 0.217 0.000 1.377 810 M HN 0.460 nan 8.290 nan 0.000 0.415 811 F N 1.396 121.390 119.950 0.073 0.000 2.091 811 F HA -0.243 4.285 4.527 0.003 0.000 0.299 811 F C 2.357 178.158 175.800 0.001 0.000 1.103 811 F CA 1.744 59.698 58.000 -0.078 0.000 1.228 811 F CB -0.443 38.559 39.000 0.004 0.000 0.984 811 F HN 0.066 nan 8.300 nan 0.000 0.477 812 A N 0.330 123.190 122.820 0.067 0.000 1.873 812 A HA -0.026 4.296 4.320 0.003 0.000 0.215 812 A C 2.442 179.971 177.584 -0.091 0.000 1.186 812 A CA 1.767 53.773 52.037 -0.050 0.000 0.616 812 A CB -1.618 17.422 19.000 0.066 0.000 0.823 812 A HN 0.518 nan 8.150 nan 0.000 0.442 813 A N -0.501 122.305 122.820 -0.023 0.000 1.917 813 A HA -0.231 4.091 4.320 0.003 0.000 0.219 813 A C 2.297 179.848 177.584 -0.055 0.000 1.182 813 A CA 2.104 54.126 52.037 -0.025 0.000 0.633 813 A CB -0.573 18.435 19.000 0.015 0.000 0.819 813 A HN 0.641 nan 8.150 nan 0.000 0.448 814 M N -0.497 119.049 119.600 -0.090 0.000 2.175 814 M HA -0.081 4.401 4.480 0.003 0.000 0.264 814 M C 1.847 178.061 176.300 -0.143 0.000 1.063 814 M CA 1.550 56.796 55.300 -0.090 0.000 1.119 814 M CB -0.323 32.205 32.600 -0.121 0.000 1.377 814 M HN 0.423 nan 8.290 nan 0.000 0.415 815 L N 0.119 121.173 121.223 -0.283 0.000 2.127 815 L HA -0.222 4.120 4.340 0.003 0.000 0.211 815 L C 2.347 179.155 176.870 -0.104 0.000 1.089 815 L CA 1.069 55.767 54.840 -0.236 0.000 0.757 815 L CB -0.817 41.045 42.059 -0.328 0.000 0.899 815 L HN 0.294 nan 8.230 nan 0.000 0.434 816 E N -0.424 119.733 120.200 -0.072 0.000 2.122 816 E HA -0.055 4.297 4.350 0.003 0.000 0.190 816 E C 2.433 179.053 176.600 0.033 0.000 0.977 816 E CA 0.895 57.285 56.400 -0.017 0.000 0.820 816 E CB -0.099 29.586 29.700 -0.024 0.000 0.770 816 E HN 0.326 nan 8.360 nan 0.000 0.462 817 S N 1.467 117.180 115.700 0.022 0.000 2.402 817 S HA -0.111 4.362 4.470 0.003 0.000 0.229 817 S C 1.892 176.559 174.600 0.111 0.000 1.021 817 S CA 0.555 58.802 58.200 0.080 0.000 0.974 817 S CB -0.190 63.043 63.200 0.055 0.000 0.800 817 S HN 0.141 nan 8.310 nan 0.000 0.484 818 L N 2.358 123.612 121.223 0.053 0.000 2.012 818 L HA -0.138 4.204 4.340 0.003 0.000 0.210 818 L C 1.917 178.827 176.870 0.066 0.000 1.073 818 L CA 1.846 56.713 54.840 0.046 0.000 0.748 818 L CB -0.686 41.374 42.059 0.001 0.000 0.891 818 L HN 0.120 nan 8.230 nan 0.000 0.431 819 K N -1.440 119.003 120.400 0.071 0.000 2.001 819 K HA -0.279 4.043 4.320 0.003 0.000 0.214 819 K C 2.194 178.894 176.600 0.167 0.000 1.050 819 K CA 2.275 58.621 56.287 0.098 0.000 0.934 819 K CB -0.784 31.772 32.500 0.094 0.000 0.718 819 K HN 0.403 nan 8.250 nan 0.000 0.443 820 Y N 2.232 122.585 120.300 0.088 0.000 2.128 820 Y HA -0.255 4.298 4.550 0.004 0.000 0.284 820 Y C 2.221 178.199 175.900 0.131 0.000 1.154 820 Y CA 1.596 59.783 58.100 0.145 0.000 1.149 820 Y CB 0.167 38.688 38.460 0.103 0.000 0.976 820 Y HN 0.126 nan 8.280 nan 0.000 0.505 821 E N -0.843 119.459 120.200 0.171 0.000 2.150 821 E HA -0.159 4.193 4.350 0.003 0.000 0.193 821 E C 2.315 178.931 176.600 0.027 0.000 0.985 821 E CA 1.241 57.682 56.400 0.068 0.000 0.814 821 E CB -0.249 29.516 29.700 0.107 0.000 0.752 821 E HN 0.381 nan 8.360 nan 0.000 0.466 822 V N 1.904 121.844 119.914 0.043 0.000 2.261 822 V HA -0.238 3.884 4.120 0.003 0.000 0.246 822 V C 2.320 178.438 176.094 0.040 0.000 1.047 822 V CA 1.272 63.587 62.300 0.025 0.000 1.015 822 V CB -0.303 31.527 31.823 0.013 0.000 0.642 822 V HN 0.218 nan 8.190 nan 0.000 0.446 823 I N -0.036 120.570 120.570 0.059 0.000 2.315 823 I HA -0.166 4.006 4.170 0.003 0.000 0.248 823 I C 2.719 178.964 176.117 0.213 0.000 1.117 823 I CA 1.829 63.197 61.300 0.113 0.000 1.404 823 I CB -1.454 36.636 38.000 0.149 0.000 1.071 823 I HN 0.362 nan 8.210 nan 0.000 0.419 824 S N 0.311 116.064 115.700 0.088 0.000 2.359 824 S HA -0.199 4.273 4.470 0.003 0.000 0.224 824 S C 2.139 176.754 174.600 0.025 0.000 1.035 824 S CA 2.366 60.512 58.200 -0.090 0.000 1.018 824 S CB -0.267 62.668 63.200 -0.441 0.000 0.876 824 S HN 0.474 nan 8.310 nan 0.000 0.448 825 T N 2.744 117.320 114.554 0.037 0.000 2.684 825 T HA -0.011 4.341 4.350 0.003 0.000 0.267 825 T C 1.690 176.496 174.700 0.176 0.000 1.036 825 T CA 1.572 63.726 62.100 0.089 0.000 1.148 825 T CB -0.414 68.495 68.868 0.067 0.000 0.863 825 T HN 0.352 nan 8.240 nan 0.000 0.436 826 L N 0.752 122.091 121.223 0.193 0.000 2.275 826 L HA -0.020 4.322 4.340 0.003 0.000 0.215 826 L C 2.649 179.727 176.870 0.346 0.000 1.119 826 L CA 0.645 55.673 54.840 0.314 0.000 0.790 826 L CB -0.393 41.817 42.059 0.251 0.000 0.919 826 L HN 0.231 nan 8.230 nan 0.000 0.443 827 S N -0.291 115.571 115.700 0.271 0.000 2.395 827 S HA -0.070 4.402 4.470 0.003 0.000 0.225 827 S C 1.840 176.571 174.600 0.219 0.000 1.027 827 S CA 0.928 59.299 58.200 0.284 0.000 0.965 827 S CB 0.083 63.527 63.200 0.407 0.000 0.812 827 S HN 0.352 nan 8.310 nan 0.000 0.482 828 K N 0.901 121.402 120.400 0.169 0.000 2.379 828 K HA 0.222 4.544 4.320 0.003 0.000 0.194 828 K C 0.377 177.042 176.600 0.108 0.000 1.031 828 K CA -0.084 56.271 56.287 0.114 0.000 1.037 828 K CB 0.249 32.787 32.500 0.064 0.000 0.824 828 K HN 0.122 nan 8.250 nan 0.000 0.516 829 V N 2.104 122.105 119.914 0.145 0.000 2.694 829 V HA -0.093 4.029 4.120 0.003 0.000 0.306 829 V C -0.298 175.815 176.094 0.031 0.000 1.054 829 V CA 0.187 62.551 62.300 0.108 0.000 1.161 829 V CB 0.980 32.895 31.823 0.152 0.000 0.916 829 V HN 0.206 nan 8.190 nan 0.000 0.490 830 Q N 5.159 124.958 119.800 -0.002 0.000 2.303 830 Q HA 0.548 4.890 4.340 0.003 0.000 0.257 830 Q C -0.834 175.127 176.000 -0.066 0.000 0.941 830 Q CA -0.182 55.608 55.803 -0.021 0.000 0.931 830 Q CB 1.644 30.376 28.738 -0.009 0.000 1.215 830 Q HN 0.893 nan 8.270 nan 0.000 0.437 831 V N 3.874 123.745 119.914 -0.072 0.000 2.540 831 V HA 0.731 4.853 4.120 0.003 0.000 0.302 831 V C -0.247 175.814 176.094 -0.055 0.000 1.035 831 V CA -0.962 61.287 62.300 -0.086 0.000 0.873 831 V CB 1.523 33.270 31.823 -0.126 0.000 0.992 831 V HN 0.942 nan 8.190 nan 0.000 0.428 832 R N 0.000 120.471 120.500 -0.048 0.000 2.786 832 R HA 0.000 4.342 4.340 0.003 0.000 0.208 832 R CA 0.000 56.080 56.100 -0.033 0.000 0.921 832 R CB 0.000 30.284 30.300 -0.027 0.000 0.687 832 R HN 0.000 nan 8.270 nan 0.000 0.535