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 1tzl_1_E DATA FIRST_RESID 44 DATA SEQUENCE DIKYDVVIVG SGPIGCTYAR ELVGAGYKVA XFDIGEIDSG LKIGAHKKNT DATA SEQUENCE VEYQKNIDKF VNVIQGQLXS VSVPVNTLVV DTLSPTSWQA STFFVRNGSN DATA SEQUENCE PEQDPLRNLS GQAVTRVVGG XSTHWTCATP RFDREQRPLL VKDDADADDA DATA SEQUENCE EWDRLYTKAE SYFQTGTDQF KESIRHNLVL NKLAEEYKGQ RDFQQIPLAA DATA SEQUENCE TRRSPTFVEW SSANTVFDLQ NRPNTDAPEE RFNLFPAVAC ERVVRNALNS DATA SEQUENCE EIESLHIHDL ISGDRFEIKA DVYVLTAGAV HNTQLLVNSG FGQLGRPNPT DATA SEQUENCE NPPELLPSLG SYITEQSLVF CQTVXSTELI DSVKSDXTIR GTPGELTYSV DATA SEQUENCE TYTPGASTNK HPDWWNEKVK NHXXQHQEDP LPIPFEDPEP QVTTLFQPSH DATA SEQUENCE PWHTQIHRDA FSYGAVQQSI DSRLIVDWRF FGRTEPKEEN KLWFSDKITD DATA SEQUENCE AYNXPQPTFD FRFPAGRTSK EAEDXXTDXC VXSAKIGGFL PGSLPQFXEP DATA SEQUENCE GLVLHLGGTH RXGFDEKEDN CCVNTDSRVF GFKNLFLGGC GNIPTAYGAN DATA SEQUENCE PTLTAXSLAI KSCEYIKQNF TPSPFT 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 44 D HA 0.000 nan 4.640 nan 0.000 0.175 44 D C 0.000 176.143 176.300 -0.261 0.000 2.045 44 D CA 0.000 53.871 54.000 -0.215 0.000 0.868 44 D CB 0.000 40.587 40.800 -0.354 0.000 0.688 45 I N 0.090 120.509 120.570 -0.252 0.000 2.364 45 I HA 0.147 4.317 4.170 0.000 0.000 0.241 45 I C 0.232 176.218 176.117 -0.218 0.000 1.082 45 I CA 0.873 62.070 61.300 -0.171 0.000 1.401 45 I CB 0.160 38.098 38.000 -0.103 0.000 1.126 45 I HN 0.100 nan 8.210 nan 0.000 0.429 46 K N 0.460 120.667 120.400 -0.323 0.000 2.221 46 K HA 0.404 4.724 4.320 0.000 0.000 0.258 46 K C -1.923 174.380 176.600 -0.495 0.000 0.944 46 K CA -0.350 55.778 56.287 -0.266 0.000 0.823 46 K CB 0.951 33.370 32.500 -0.135 0.000 1.113 46 K HN 0.156 nan 8.250 nan 0.000 0.431 47 Y N 1.316 121.609 120.300 -0.012 0.000 2.545 47 Y HA 0.243 4.793 4.550 0.000 0.000 0.348 47 Y C 0.638 176.499 175.900 -0.065 0.000 1.002 47 Y CA -0.842 57.242 58.100 -0.027 0.000 1.039 47 Y CB 2.095 40.542 38.460 -0.021 0.000 1.271 47 Y HN 0.662 nan 8.280 nan 0.000 0.467 48 D N 0.403 120.898 120.400 0.159 0.000 2.123 48 D HA 0.034 4.674 4.640 0.000 0.000 0.200 48 D C -0.387 175.877 176.300 -0.059 0.000 0.976 48 D CA 1.484 55.533 54.000 0.082 0.000 0.831 48 D CB 0.386 41.315 40.800 0.215 0.000 0.974 48 D HN 0.146 nan 8.370 nan 0.000 0.469 49 V N 0.569 120.448 119.914 -0.057 0.000 2.686 49 V HA 0.357 4.477 4.120 0.000 0.000 0.306 49 V C -0.513 175.488 176.094 -0.155 0.000 1.065 49 V CA -0.836 61.350 62.300 -0.190 0.000 0.894 49 V CB 2.839 34.524 31.823 -0.230 0.000 1.004 49 V HN -0.310 nan 8.190 nan 0.000 0.424 50 V N 6.157 125.951 119.914 -0.201 0.000 2.378 50 V HA 0.544 4.664 4.120 0.000 0.000 0.288 50 V C -0.391 175.663 176.094 -0.066 0.000 1.016 50 V CA -0.255 61.993 62.300 -0.087 0.000 0.840 50 V CB 1.654 33.491 31.823 0.024 0.000 0.994 50 V HN 0.708 nan 8.190 nan 0.000 0.431 51 I N 5.787 126.320 120.570 -0.061 0.000 2.404 51 I HA 0.473 4.643 4.170 0.000 0.000 0.293 51 I C -0.462 175.685 176.117 0.051 0.000 0.992 51 I CA -0.912 60.348 61.300 -0.067 0.000 1.149 51 I CB 2.081 40.023 38.000 -0.097 0.000 1.315 51 I HN 0.204 nan 8.210 nan 0.000 0.446 52 V N 5.162 125.098 119.914 0.038 0.000 2.350 52 V HA 0.772 4.892 4.120 0.000 0.000 0.276 52 V C 0.429 176.540 176.094 0.028 0.000 1.028 52 V CA -0.312 62.032 62.300 0.073 0.000 0.860 52 V CB 0.654 32.495 31.823 0.031 0.000 0.990 52 V HN 1.081 nan 8.190 nan 0.000 0.453 53 G N 3.992 112.821 108.800 0.049 0.000 3.067 53 G HA2 -0.026 3.934 3.960 0.000 0.000 0.686 53 G HA3 -0.026 3.934 3.960 0.000 0.000 0.686 53 G C -0.071 174.849 174.900 0.034 0.000 1.119 53 G CA -0.238 44.881 45.100 0.032 0.000 0.790 53 G HN 1.396 nan 8.290 nan 0.000 0.605 54 S N 1.211 116.934 115.700 0.038 0.000 2.624 54 S HA 0.626 5.096 4.470 0.000 0.000 0.246 54 S C 1.214 175.831 174.600 0.029 0.000 1.072 54 S CA 0.679 58.908 58.200 0.049 0.000 1.045 54 S CB 0.630 63.872 63.200 0.070 0.000 0.851 54 S HN 1.921 nan 8.310 nan 0.000 0.480 55 G N 2.485 111.291 108.800 0.009 0.000 2.553 55 G HA2 0.446 4.407 3.960 0.000 0.000 0.278 55 G HA3 0.446 4.407 3.960 0.000 0.000 0.278 55 G C -1.309 173.569 174.900 -0.037 0.000 1.349 55 G CA -1.486 43.600 45.100 -0.023 0.000 1.037 55 G HN 0.237 nan 8.290 nan 0.000 0.508 56 P HA -0.064 nan 4.420 nan 0.000 0.220 56 P C 1.764 178.980 177.300 -0.139 0.000 1.148 56 P CA 0.729 63.767 63.100 -0.105 0.000 0.803 56 P CB 0.167 31.823 31.700 -0.072 0.000 0.782 57 I N 0.059 120.585 120.570 -0.074 0.000 2.286 57 I HA -0.047 4.123 4.170 0.000 0.000 0.245 57 I C 2.685 178.841 176.117 0.064 0.000 1.104 57 I CA 1.515 62.800 61.300 -0.025 0.000 1.397 57 I CB -2.333 35.687 38.000 0.035 0.000 1.072 57 I HN -0.002 nan 8.210 nan 0.000 0.417 58 G N 0.541 109.376 108.800 0.058 0.000 2.476 58 G HA2 -0.272 3.688 3.960 0.000 0.000 0.218 58 G HA3 -0.272 3.688 3.960 0.000 0.000 0.218 58 G C 1.764 176.664 174.900 -0.002 0.000 1.164 58 G CA 1.191 46.324 45.100 0.055 0.000 0.768 58 G HN 0.425 nan 8.290 nan 0.000 0.560 59 C N 0.511 119.778 119.300 -0.055 0.000 2.432 59 C HA 0.060 4.520 4.460 0.000 0.000 0.282 59 C C 3.177 178.029 174.990 -0.229 0.000 1.388 59 C CA 1.310 60.250 59.018 -0.130 0.000 1.777 59 C CB -0.979 26.738 27.740 -0.038 0.000 1.882 59 C HN 0.457 nan 8.230 nan 0.000 0.520 60 T N -0.106 114.329 114.554 -0.197 0.000 2.737 60 T HA -0.143 4.207 4.350 0.000 0.000 0.265 60 T C 1.468 175.991 174.700 -0.294 0.000 1.038 60 T CA 1.533 63.471 62.100 -0.269 0.000 1.144 60 T CB -0.385 68.334 68.868 -0.248 0.000 0.866 60 T HN 0.547 nan 8.240 nan 0.000 0.434 61 Y N 1.430 121.584 120.300 -0.243 0.000 2.224 61 Y HA -0.019 4.531 4.550 0.000 0.000 0.289 61 Y C 2.668 178.357 175.900 -0.351 0.000 1.146 61 Y CA 0.817 58.761 58.100 -0.261 0.000 1.182 61 Y CB -0.591 37.736 38.460 -0.223 0.000 0.983 61 Y HN 0.202 nan 8.280 nan 0.000 0.524 62 A N 0.007 122.637 122.820 -0.317 0.000 1.873 62 A HA -0.183 4.137 4.320 0.000 0.000 0.215 62 A C 2.323 179.344 177.584 -0.939 0.000 1.186 62 A CA 1.582 53.181 52.037 -0.731 0.000 0.616 62 A CB -0.628 17.683 19.000 -1.149 0.000 0.823 62 A HN 0.379 nan 8.150 nan 0.000 0.442 63 R N -0.392 119.660 120.500 -0.747 0.000 2.073 63 R HA -0.142 4.198 4.340 0.000 0.000 0.234 63 R C 2.000 178.115 176.300 -0.310 0.000 1.134 63 R CA 1.624 57.455 56.100 -0.448 0.000 0.952 63 R CB -0.254 29.784 30.300 -0.438 0.000 0.850 63 R HN 0.541 nan 8.270 nan 0.000 0.433 64 E N 0.598 120.627 120.200 -0.286 0.000 2.031 64 E HA -0.196 4.154 4.350 0.000 0.000 0.193 64 E C 2.146 178.692 176.600 -0.091 0.000 0.994 64 E CA 1.338 57.644 56.400 -0.156 0.000 0.800 64 E CB -0.180 29.423 29.700 -0.162 0.000 0.752 64 E HN 0.397 nan 8.360 nan 0.000 0.447 65 L N 0.341 121.492 121.223 -0.120 0.000 2.127 65 L HA -0.079 4.261 4.340 0.000 0.000 0.203 65 L C 2.614 179.550 176.870 0.109 0.000 1.080 65 L CA 0.338 55.165 54.840 -0.022 0.000 0.768 65 L CB -0.402 41.541 42.059 -0.193 0.000 0.924 65 L HN -0.038 nan 8.230 nan 0.000 0.444 66 V N 0.728 120.618 119.914 -0.040 0.000 2.287 66 V HA -0.256 3.864 4.120 0.000 0.000 0.248 66 V C 2.659 178.789 176.094 0.060 0.000 1.053 66 V CA 2.180 64.496 62.300 0.026 0.000 1.027 66 V CB -1.371 30.409 31.823 -0.072 0.000 0.646 66 V HN 0.586 nan 8.190 nan 0.000 0.447 67 G N -0.616 108.194 108.800 0.018 0.000 2.462 67 G HA2 -0.158 3.802 3.960 0.000 0.000 0.220 67 G HA3 -0.158 3.802 3.960 0.000 0.000 0.220 67 G C 1.403 176.321 174.900 0.030 0.000 1.121 67 G CA 0.899 46.012 45.100 0.021 0.000 0.758 67 G HN 0.674 nan 8.290 nan 0.000 0.559 68 A N -0.655 122.212 122.820 0.079 0.000 2.307 68 A HA 0.514 4.834 4.320 0.000 0.000 0.218 68 A C 1.842 179.400 177.584 -0.044 0.000 1.228 68 A CA 1.111 53.191 52.037 0.072 0.000 0.857 68 A CB -0.288 18.836 19.000 0.207 0.000 0.897 68 A HN 1.534 nan 8.150 nan 0.000 0.495 69 G N -2.090 106.699 108.800 -0.018 0.000 2.159 69 G HA2 -0.261 3.699 3.960 0.000 0.000 0.227 69 G HA3 -0.261 3.699 3.960 0.000 0.000 0.227 69 G C -0.049 174.774 174.900 -0.128 0.000 0.986 69 G CA -0.007 45.039 45.100 -0.090 0.000 0.651 69 G HN 0.393 nan 8.290 nan 0.000 0.523 70 Y N 0.983 121.305 120.300 0.037 0.000 2.425 70 Y HA 0.364 4.914 4.550 0.000 0.000 0.331 70 Y C 1.177 177.120 175.900 0.073 0.000 1.157 70 Y CA 0.273 58.397 58.100 0.039 0.000 1.372 70 Y CB 0.773 39.231 38.460 -0.003 0.000 1.253 70 Y HN 0.071 nan 8.280 nan 0.000 0.536 71 K N 3.822 124.352 120.400 0.218 0.000 2.315 71 K HA 0.315 4.635 4.320 0.000 0.000 0.291 71 K C -1.392 175.336 176.600 0.214 0.000 1.074 71 K CA -0.082 56.330 56.287 0.208 0.000 0.936 71 K CB -0.001 32.599 32.500 0.167 0.000 1.049 71 K HN 0.495 nan 8.250 nan 0.000 0.471 72 V N 3.383 123.392 119.914 0.158 0.000 2.581 72 V HA 0.601 4.721 4.120 0.000 0.000 0.303 72 V C 0.049 175.946 176.094 -0.328 0.000 1.041 72 V CA -0.728 61.575 62.300 0.005 0.000 0.907 72 V CB 1.415 33.300 31.823 0.104 0.000 0.994 72 V HN 0.948 nan 8.190 nan 0.000 0.442 76 D N 2.705 123.200 120.400 0.158 0.000 2.481 76 D HA 0.391 5.031 4.640 0.000 0.000 0.244 76 D C 0.591 176.923 176.300 0.053 0.000 1.057 76 D CA -0.380 53.668 54.000 0.080 0.000 0.848 76 D CB 2.608 43.437 40.800 0.049 0.000 1.388 76 D HN 0.692 nan 8.370 nan 0.000 0.475 77 I N 2.011 122.564 120.570 -0.028 0.000 2.394 77 I HA -0.006 4.164 4.170 0.000 0.000 0.251 77 I C 1.247 177.328 176.117 -0.059 0.000 1.136 77 I CA 0.899 62.132 61.300 -0.111 0.000 1.425 77 I CB 0.127 37.944 38.000 -0.304 0.000 1.079 77 I HN 0.356 nan 8.210 nan 0.000 0.425 78 G N -0.267 108.519 108.800 -0.023 0.000 2.537 78 G HA2 0.393 4.353 3.960 0.000 0.000 0.297 78 G HA3 0.393 4.353 3.960 0.000 0.000 0.297 78 G C -0.831 174.093 174.900 0.040 0.000 1.310 78 G CA -0.424 44.688 45.100 0.020 0.000 1.027 78 G HN 0.299 nan 8.290 nan 0.000 0.505 79 E N -1.398 118.831 120.200 0.050 0.000 2.299 79 E HA 0.373 4.723 4.350 0.000 0.000 0.260 79 E C -0.462 176.169 176.600 0.051 0.000 0.944 79 E CA -0.766 55.665 56.400 0.051 0.000 0.815 79 E CB 2.474 32.206 29.700 0.054 0.000 1.252 79 E HN 0.269 nan 8.360 nan 0.000 0.418 80 I N 1.734 122.332 120.570 0.048 0.000 2.587 80 I HA -0.042 4.128 4.170 0.000 0.000 0.284 80 I C 0.201 176.352 176.117 0.056 0.000 1.134 80 I CA 0.836 62.166 61.300 0.049 0.000 1.410 80 I CB 0.223 38.246 38.000 0.038 0.000 1.392 80 I HN 0.570 nan 8.210 nan 0.000 0.545 81 D N 2.109 122.549 120.400 0.067 0.000 2.480 81 D HA 0.048 4.688 4.640 0.000 0.000 0.243 81 D C 0.158 176.516 176.300 0.097 0.000 1.120 81 D CA 0.318 54.365 54.000 0.078 0.000 0.835 81 D CB 0.631 41.480 40.800 0.081 0.000 1.204 81 D HN 0.460 nan 8.370 nan 0.000 0.513 82 S N 0.113 115.874 115.700 0.101 0.000 2.139 82 S HA 0.646 5.116 4.470 0.000 0.000 0.183 82 S C 0.625 175.295 174.600 0.118 0.000 1.473 82 S CA -0.351 57.927 58.200 0.129 0.000 1.263 82 S CB 0.739 64.029 63.200 0.151 0.000 1.170 82 S HN 0.330 nan 8.310 nan 0.000 0.430 83 G N 1.667 110.526 108.800 0.099 0.000 2.796 83 G HA2 -0.230 3.730 3.960 0.000 0.000 0.226 83 G HA3 -0.230 3.730 3.960 0.000 0.000 0.226 83 G C 0.362 175.300 174.900 0.062 0.000 1.381 83 G CA -0.288 44.862 45.100 0.083 0.000 0.867 83 G HN 0.555 nan 8.290 nan 0.000 0.552 84 L N -0.142 121.111 121.223 0.049 0.000 2.127 84 L HA -0.039 4.301 4.340 0.000 0.000 0.211 84 L C 1.753 178.639 176.870 0.027 0.000 1.089 84 L CA 1.600 56.459 54.840 0.031 0.000 0.757 84 L CB -0.414 41.657 42.059 0.021 0.000 0.899 84 L HN 0.425 nan 8.230 nan 0.000 0.434 85 K N 1.746 122.171 120.400 0.041 0.000 2.278 85 K HA 0.255 4.575 4.320 0.000 0.000 0.289 85 K C -0.212 176.415 176.600 0.045 0.000 1.080 85 K CA -0.143 56.166 56.287 0.037 0.000 0.934 85 K CB 0.377 32.911 32.500 0.057 0.000 1.093 85 K HN 0.140 nan 8.250 nan 0.000 0.459 86 I N 2.181 122.763 120.570 0.021 0.000 2.662 86 I HA -0.079 4.091 4.170 0.000 0.000 0.285 86 I C 1.335 177.480 176.117 0.046 0.000 1.161 86 I CA 0.670 61.989 61.300 0.031 0.000 1.415 86 I CB 0.077 38.086 38.000 0.015 0.000 1.385 86 I HN 0.958 nan 8.210 nan 0.000 0.552 87 G N 4.292 113.131 108.800 0.066 0.000 2.147 87 G HA2 -0.179 3.781 3.960 0.000 0.000 0.244 87 G HA3 -0.179 3.781 3.960 0.000 0.000 0.244 87 G C 0.296 175.259 174.900 0.105 0.000 1.005 87 G CA 0.031 45.176 45.100 0.075 0.000 0.713 87 G HN 0.982 nan 8.290 nan 0.000 0.515 88 A N -0.367 122.529 122.820 0.127 0.000 2.272 88 A HA 0.637 4.957 4.320 0.000 0.000 0.275 88 A C 0.551 178.276 177.584 0.236 0.000 1.096 88 A CA -0.327 51.822 52.037 0.187 0.000 0.822 88 A CB 0.323 19.430 19.000 0.178 0.000 1.088 88 A HN 0.611 nan 8.150 nan 0.000 0.495 89 H N 0.313 119.518 119.070 0.226 0.000 2.803 89 H HA 0.127 4.683 4.556 0.000 0.000 0.330 89 H C 0.626 176.095 175.328 0.236 0.000 1.057 89 H CA 0.621 56.820 56.048 0.253 0.000 1.458 89 H CB 0.902 30.830 29.762 0.278 0.000 1.470 89 H HN 0.685 nan 8.280 nan 0.000 0.560 90 K N 3.269 123.857 120.400 0.314 0.000 2.362 90 K HA -0.072 4.248 4.320 0.000 0.000 0.200 90 K C 1.781 178.633 176.600 0.419 0.000 1.046 90 K CA 0.532 57.067 56.287 0.412 0.000 0.952 90 K CB 0.369 33.129 32.500 0.433 0.000 0.753 90 K HN 0.435 nan 8.250 nan 0.000 0.466 91 K N 0.956 121.482 120.400 0.210 0.000 2.439 91 K HA -0.016 4.304 4.320 0.000 0.000 0.197 91 K C 0.093 176.743 176.600 0.084 0.000 1.041 91 K CA 0.453 56.552 56.287 -0.313 0.000 0.970 91 K CB 0.167 32.157 32.500 -0.849 0.000 0.773 91 K HN 0.066 nan 8.250 nan 0.000 0.479 92 N N 2.074 120.924 118.700 0.248 0.000 3.111 92 N HA -0.025 4.715 4.740 0.000 0.000 0.302 92 N C -0.646 175.119 175.510 0.425 0.000 1.317 92 N CA 0.297 53.523 53.050 0.292 0.000 1.151 92 N CB 0.493 39.179 38.487 0.332 0.000 1.456 92 N HN 0.199 nan 8.380 nan 0.000 0.547 93 T N -4.481 110.313 114.554 0.400 0.000 2.885 93 T HA 0.341 4.691 4.350 0.000 0.000 0.285 93 T C 1.427 176.344 174.700 0.362 0.000 1.019 93 T CA -0.814 61.488 62.100 0.337 0.000 1.010 93 T CB 1.564 70.567 68.868 0.224 0.000 1.022 93 T HN -0.164 nan 8.240 nan 0.000 0.466 94 V N 1.388 121.457 119.914 0.257 0.000 2.324 94 V HA -0.150 3.970 4.120 0.000 0.000 0.250 94 V C 2.794 178.964 176.094 0.126 0.000 1.060 94 V CA 2.461 64.882 62.300 0.202 0.000 1.042 94 V CB -1.032 30.828 31.823 0.062 0.000 0.650 94 V HN 1.049 nan 8.190 nan 0.000 0.450 95 E N -0.476 119.741 120.200 0.029 0.000 2.110 95 E HA -0.208 4.142 4.350 0.000 0.000 0.193 95 E C 2.004 178.552 176.600 -0.087 0.000 0.988 95 E CA 1.546 57.896 56.400 -0.083 0.000 0.804 95 E CB -0.313 29.265 29.700 -0.202 0.000 0.745 95 E HN 0.672 nan 8.360 nan 0.000 0.458 96 Y N 0.604 120.968 120.300 0.106 0.000 2.314 96 Y HA -0.002 4.548 4.550 0.000 0.000 0.293 96 Y C 2.000 177.918 175.900 0.030 0.000 1.129 96 Y CA 1.207 59.353 58.100 0.077 0.000 1.201 96 Y CB -0.125 38.384 38.460 0.083 0.000 0.999 96 Y HN 0.167 nan 8.280 nan 0.000 0.541 97 Q N -0.424 119.489 119.800 0.188 0.000 2.451 97 Q HA -0.046 4.294 4.340 0.000 0.000 0.206 97 Q C 1.409 177.473 176.000 0.107 0.000 0.947 97 Q CA 0.521 56.397 55.803 0.122 0.000 0.937 97 Q CB 0.112 28.894 28.738 0.074 0.000 1.025 97 Q HN 0.420 nan 8.270 nan 0.000 0.511 98 K N 0.115 120.572 120.400 0.095 0.000 2.361 98 K HA 0.115 4.435 4.320 0.000 0.000 0.194 98 K C 0.156 176.781 176.600 0.041 0.000 1.032 98 K CA 0.260 56.583 56.287 0.060 0.000 1.048 98 K CB 0.619 33.145 32.500 0.043 0.000 0.842 98 K HN 0.069 nan 8.250 nan 0.000 0.526 99 N N 1.110 119.844 118.700 0.057 0.000 2.711 99 N HA 0.053 4.793 4.740 0.000 0.000 0.263 99 N C -0.020 175.522 175.510 0.054 0.000 1.667 99 N CA 0.047 53.120 53.050 0.038 0.000 0.785 99 N CB 1.091 39.601 38.487 0.037 0.000 1.231 99 N HN -0.023 nan 8.380 nan 0.000 0.503 100 I N 2.017 122.580 120.570 -0.011 0.000 2.454 100 I HA -0.218 3.952 4.170 0.000 0.000 0.254 100 I C 1.849 177.743 176.117 -0.371 0.000 1.156 100 I CA 1.595 62.848 61.300 -0.079 0.000 1.433 100 I CB 0.015 37.989 38.000 -0.043 0.000 1.082 100 I HN 0.286 nan 8.210 nan 0.000 0.432 101 D N 0.060 120.094 120.400 -0.611 0.000 2.311 101 D HA -0.234 4.406 4.640 0.000 0.000 0.212 101 D C 1.536 177.591 176.300 -0.408 0.000 0.972 101 D CA 0.938 54.300 54.000 -1.062 0.000 0.887 101 D CB -0.482 39.978 40.800 -0.566 0.000 0.915 101 D HN 0.365 nan 8.370 nan 0.000 0.497 102 K N -0.573 119.762 120.400 -0.108 0.000 2.361 102 K HA 0.021 4.341 4.320 0.000 0.000 0.196 102 K C 1.505 178.146 176.600 0.069 0.000 1.039 102 K CA -0.232 56.096 56.287 0.067 0.000 1.001 102 K CB -0.208 32.428 32.500 0.226 0.000 0.795 102 K HN 0.143 nan 8.250 nan 0.000 0.495 103 F N 1.560 121.402 119.950 -0.179 0.000 2.451 103 F HA -0.119 4.408 4.527 0.000 0.000 0.299 103 F C 1.978 177.663 175.800 -0.192 0.000 1.101 103 F CA 0.314 58.105 58.000 -0.348 0.000 1.436 103 F CB -0.132 38.654 39.000 -0.356 0.000 1.074 103 F HN -0.260 nan 8.300 nan 0.000 0.553 104 V N 0.737 120.575 119.914 -0.126 0.000 2.469 104 V HA -0.308 3.812 4.120 0.000 0.000 0.251 104 V C 2.072 178.022 176.094 -0.240 0.000 1.064 104 V CA 2.495 64.701 62.300 -0.156 0.000 1.066 104 V CB -0.489 31.265 31.823 -0.115 0.000 0.667 104 V HN 0.394 nan 8.190 nan 0.000 0.461 105 N N -0.226 118.343 118.700 -0.219 0.000 2.270 105 N HA -0.076 4.664 4.740 0.000 0.000 0.181 105 N C 1.739 177.101 175.510 -0.246 0.000 1.016 105 N CA 1.572 54.516 53.050 -0.175 0.000 0.870 105 N CB -0.103 38.334 38.487 -0.083 0.000 0.979 105 N HN 0.457 nan 8.380 nan 0.000 0.431 106 V N 2.202 121.854 119.914 -0.437 0.000 2.261 106 V HA -0.185 3.935 4.120 0.000 0.000 0.246 106 V C 2.384 178.180 176.094 -0.496 0.000 1.047 106 V CA 1.244 63.226 62.300 -0.530 0.000 1.015 106 V CB -0.438 30.814 31.823 -0.951 0.000 0.642 106 V HN 0.163 nan 8.190 nan 0.000 0.446 107 I N -0.420 119.771 120.570 -0.630 0.000 2.118 107 I HA -0.301 3.869 4.170 0.000 0.000 0.241 107 I C 2.762 178.705 176.117 -0.290 0.000 1.070 107 I CA 1.540 62.546 61.300 -0.489 0.000 1.327 107 I CB -0.471 37.360 38.000 -0.281 0.000 1.034 107 I HN 0.312 nan 8.210 nan 0.000 0.405 108 Q N 0.481 120.173 119.800 -0.180 0.000 2.170 108 Q HA -0.134 4.206 4.340 0.000 0.000 0.203 108 Q C 2.279 178.227 176.000 -0.086 0.000 0.976 108 Q CA 1.692 57.437 55.803 -0.096 0.000 0.858 108 Q CB -0.679 28.003 28.738 -0.093 0.000 0.907 108 Q HN 0.628 nan 8.270 nan 0.000 0.433 109 G N 0.990 109.725 108.800 -0.109 0.000 2.509 109 G HA2 -0.213 3.747 3.960 0.000 0.000 0.218 109 G HA3 -0.213 3.747 3.960 0.000 0.000 0.218 109 G C 0.972 175.848 174.900 -0.041 0.000 1.124 109 G CA 0.757 45.818 45.100 -0.065 0.000 0.776 109 G HN 0.510 nan 8.290 nan 0.000 0.547 110 Q N -0.745 119.017 119.800 -0.062 0.000 2.135 110 Q HA 0.503 4.843 4.340 0.000 0.000 0.231 110 Q C 0.077 176.085 176.000 0.013 0.000 0.817 110 Q CA -0.325 55.476 55.803 -0.003 0.000 1.073 110 Q CB 0.163 28.920 28.738 0.033 0.000 1.176 110 Q HN 0.264 nan 8.270 nan 0.000 0.478 114 V N 1.754 121.736 119.914 0.113 0.000 2.261 114 V HA 0.032 4.152 4.120 0.000 0.000 0.246 114 V C 1.189 177.320 176.094 0.062 0.000 1.047 114 V CA 1.814 64.182 62.300 0.113 0.000 1.015 114 V CB 0.017 31.947 31.823 0.179 0.000 0.642 114 V HN 0.794 nan 8.190 nan 0.000 0.446 115 S N -0.546 115.202 115.700 0.081 0.000 2.776 115 S HA 0.516 4.986 4.470 0.000 0.000 0.284 115 S C -1.099 173.518 174.600 0.028 0.000 1.160 115 S CA -0.513 57.698 58.200 0.018 0.000 1.051 115 S CB 1.408 64.585 63.200 -0.038 0.000 1.037 115 S HN 0.036 nan 8.310 nan 0.000 0.485 116 V N 7.528 127.445 119.914 0.006 0.000 2.370 116 V HA 0.513 4.633 4.120 0.000 0.000 0.283 116 V C -2.071 174.015 176.094 -0.012 0.000 1.023 116 V CA -1.887 60.414 62.300 0.001 0.000 0.857 116 V CB 1.267 33.091 31.823 0.001 0.000 0.985 116 V HN 0.680 nan 8.190 nan 0.000 0.443 117 P HA 0.140 nan 4.420 nan 0.000 0.272 117 P C -0.130 177.152 177.300 -0.031 0.000 1.240 117 P CA -0.160 62.928 63.100 -0.021 0.000 0.791 117 P CB 0.544 32.230 31.700 -0.023 0.000 0.978 118 V N 1.984 121.882 119.914 -0.028 0.000 2.740 118 V HA 0.010 4.130 4.120 0.000 0.000 0.303 118 V C 1.067 177.111 176.094 -0.082 0.000 1.054 118 V CA 0.119 62.398 62.300 -0.036 0.000 1.106 118 V CB -0.212 31.611 31.823 0.001 0.000 0.957 118 V HN 0.592 nan 8.190 nan 0.000 0.486 119 N N 2.834 121.476 118.700 -0.097 0.000 2.444 119 N HA 0.156 4.896 4.740 0.000 0.000 0.271 119 N C 0.485 175.809 175.510 -0.311 0.000 1.069 119 N CA 0.218 53.183 53.050 -0.143 0.000 0.965 119 N CB 1.682 40.117 38.487 -0.087 0.000 1.092 119 N HN 0.856 nan 8.380 nan 0.000 0.476 120 T N 0.762 115.026 114.554 -0.483 0.000 3.200 120 T HA 0.194 4.544 4.350 0.000 0.000 0.284 120 T C 0.568 174.841 174.700 -0.710 0.000 1.009 120 T CA -0.502 60.922 62.100 -1.126 0.000 0.907 120 T CB 0.032 68.328 68.868 -0.954 0.000 1.120 120 T HN 0.159 nan 8.240 nan 0.000 0.534 121 L N 2.756 123.807 121.223 -0.286 0.000 2.490 121 L HA 0.263 4.603 4.340 0.000 0.000 0.274 121 L C 0.245 177.153 176.870 0.064 0.000 1.201 121 L CA -0.269 54.518 54.840 -0.089 0.000 0.869 121 L CB 0.440 42.478 42.059 -0.035 0.000 1.123 121 L HN 0.178 nan 8.230 nan 0.000 0.484 122 V N 4.972 124.945 119.914 0.098 0.000 2.383 122 V HA 0.292 4.412 4.120 0.000 0.000 0.275 122 V C 0.134 176.291 176.094 0.104 0.000 1.036 122 V CA -0.672 61.733 62.300 0.175 0.000 0.889 122 V CB 1.635 33.550 31.823 0.153 0.000 0.985 122 V HN 0.438 nan 8.190 nan 0.000 0.459 123 V N 5.090 125.066 119.914 0.104 0.000 2.293 123 V HA 0.336 4.456 4.120 0.000 0.000 0.275 123 V C 0.200 176.322 176.094 0.048 0.000 1.021 123 V CA -0.448 61.891 62.300 0.066 0.000 0.815 123 V CB 1.193 33.055 31.823 0.066 0.000 1.025 123 V HN 1.053 nan 8.190 nan 0.000 0.448 124 D N 1.838 122.260 120.400 0.036 0.000 2.440 124 D HA -0.017 4.623 4.640 0.000 0.000 0.216 124 D C 1.298 177.606 176.300 0.014 0.000 1.150 124 D CA 0.316 54.328 54.000 0.020 0.000 0.832 124 D CB 0.323 41.133 40.800 0.017 0.000 0.992 124 D HN 0.547 nan 8.370 nan 0.000 0.502 125 T N -1.600 112.965 114.554 0.019 0.000 3.223 125 T HA 0.298 4.648 4.350 0.000 0.000 0.259 125 T C 0.752 175.463 174.700 0.018 0.000 1.015 125 T CA -0.544 61.566 62.100 0.016 0.000 0.908 125 T CB -0.331 68.547 68.868 0.017 0.000 1.054 125 T HN 0.037 nan 8.240 nan 0.000 0.567 126 L N 2.039 123.273 121.223 0.019 0.000 2.439 126 L HA 0.301 4.641 4.340 0.000 0.000 0.269 126 L C 1.088 177.968 176.870 0.017 0.000 1.179 126 L CA -0.586 54.269 54.840 0.024 0.000 0.828 126 L CB 0.654 42.730 42.059 0.028 0.000 1.106 126 L HN 0.247 nan 8.230 nan 0.000 0.467 127 S N 2.547 118.260 115.700 0.022 0.000 2.552 127 S HA 0.070 4.540 4.470 0.000 0.000 0.289 127 S C -1.442 173.165 174.600 0.011 0.000 1.304 127 S CA -0.984 57.227 58.200 0.018 0.000 1.063 127 S CB 0.745 63.960 63.200 0.024 0.000 0.848 127 S HN 0.401 nan 8.310 nan 0.000 0.499 128 P HA -0.057 nan 4.420 nan 0.000 0.222 128 P C 1.169 178.468 177.300 -0.001 0.000 1.142 128 P CA 1.037 64.133 63.100 -0.007 0.000 0.788 128 P CB 0.085 31.781 31.700 -0.006 0.000 0.767 129 T N -2.022 112.541 114.554 0.015 0.000 3.054 129 T HA 0.101 4.451 4.350 0.000 0.000 0.259 129 T C 0.862 175.594 174.700 0.052 0.000 1.092 129 T CA 0.306 62.423 62.100 0.028 0.000 1.121 129 T CB -0.239 68.647 68.868 0.029 0.000 0.912 129 T HN 0.030 nan 8.240 nan 0.000 0.489 130 S N 0.978 116.712 115.700 0.056 0.000 2.564 130 S HA 0.209 4.679 4.470 0.000 0.000 0.278 130 S C -0.699 173.973 174.600 0.121 0.000 1.333 130 S CA -0.736 57.524 58.200 0.100 0.000 1.048 130 S CB 0.326 63.579 63.200 0.088 0.000 0.900 130 S HN 0.512 nan 8.310 nan 0.000 0.505 131 W N 3.551 124.861 121.300 0.016 0.000 2.308 131 W HA 0.210 4.870 4.660 0.000 0.000 0.324 131 W C 0.275 176.811 176.519 0.029 0.000 1.387 131 W CA 0.265 57.620 57.345 0.016 0.000 1.250 131 W CB 0.163 29.634 29.460 0.017 0.000 1.257 131 W HN 0.548 nan 8.180 nan 0.000 0.554 132 Q N 4.786 124.261 119.800 -0.541 0.000 2.375 132 Q HA 0.659 4.999 4.340 0.000 0.000 0.271 132 Q C -0.809 174.720 176.000 -0.785 0.000 1.074 132 Q CA -0.921 54.649 55.803 -0.388 0.000 0.808 132 Q CB 1.866 30.453 28.738 -0.252 0.000 1.327 132 Q HN 0.581 nan 8.270 nan 0.000 0.441 133 A N 1.289 123.878 122.820 -0.384 0.000 2.340 133 A HA 0.338 4.658 4.320 0.000 0.000 0.268 133 A C 0.612 178.020 177.584 -0.293 0.000 1.100 133 A CA 0.205 52.071 52.037 -0.284 0.000 0.803 133 A CB 0.685 19.815 19.000 0.216 0.000 1.043 133 A HN 0.874 nan 8.150 nan 0.000 0.488 134 S N 0.319 115.867 115.700 -0.253 0.000 2.524 134 S HA 0.207 4.677 4.470 0.000 0.000 0.215 134 S C 0.675 175.163 174.600 -0.188 0.000 0.986 134 S CA 0.809 58.879 58.200 -0.216 0.000 0.911 134 S CB -0.428 62.659 63.200 -0.189 0.000 0.805 134 S HN 1.419 nan 8.310 nan 0.000 0.501 135 T N -1.830 112.651 114.554 -0.121 0.000 2.838 135 T HA 0.654 5.004 4.350 0.000 0.000 0.292 135 T C -0.855 173.788 174.700 -0.095 0.000 1.113 135 T CA -0.904 61.125 62.100 -0.118 0.000 1.008 135 T CB 0.560 69.459 68.868 0.051 0.000 1.259 135 T HN 0.075 nan 8.240 nan 0.000 0.520 136 F N 2.568 122.605 119.950 0.145 0.000 2.573 136 F HA 0.377 4.904 4.527 0.000 0.000 0.349 136 F C 0.394 176.258 175.800 0.106 0.000 1.213 136 F CA -1.380 56.669 58.000 0.082 0.000 1.300 136 F CB -0.408 38.609 39.000 0.028 0.000 1.661 136 F HN 0.530 nan 8.300 nan 0.000 0.616 137 F N -0.644 119.414 119.950 0.180 0.000 2.399 137 F HA 0.556 5.083 4.527 0.000 0.000 0.313 137 F C -0.098 175.780 175.800 0.130 0.000 1.202 137 F CA -1.432 56.651 58.000 0.137 0.000 1.192 137 F CB 0.055 39.125 39.000 0.116 0.000 1.256 137 F HN -0.192 nan 8.300 nan 0.000 0.558 138 V N 3.839 123.880 119.914 0.211 0.000 2.409 138 V HA 0.196 4.316 4.120 0.000 0.000 0.270 138 V C 0.250 176.351 176.094 0.011 0.000 1.019 138 V CA -0.187 62.160 62.300 0.078 0.000 1.066 138 V CB -1.173 30.727 31.823 0.128 0.000 1.021 138 V HN 0.868 nan 8.190 nan 0.000 0.476 139 R N 3.467 123.878 120.500 -0.147 0.000 2.808 139 R HA 0.516 4.856 4.340 0.000 0.000 0.272 139 R C -0.203 176.057 176.300 -0.067 0.000 0.995 139 R CA -0.959 55.060 56.100 -0.135 0.000 0.917 139 R CB 0.882 30.961 30.300 -0.369 0.000 1.217 139 R HN 0.436 nan 8.270 nan 0.000 0.471 140 N N -0.378 118.307 118.700 -0.025 0.000 2.725 140 N HA -0.206 4.534 4.740 0.000 0.000 0.249 140 N C 0.743 176.247 175.510 -0.009 0.000 1.103 140 N CA 1.866 54.907 53.050 -0.015 0.000 0.707 140 N CB -1.234 37.238 38.487 -0.025 0.000 1.043 140 N HN 1.147 nan 8.380 nan 0.000 0.553 141 G N -2.641 106.158 108.800 -0.002 0.000 2.176 141 G HA2 -0.292 3.668 3.960 0.000 0.000 0.232 141 G HA3 -0.292 3.668 3.960 0.000 0.000 0.232 141 G C 0.161 175.062 174.900 0.003 0.000 0.986 141 G CA 0.255 45.357 45.100 0.004 0.000 0.643 141 G HN 0.528 nan 8.290 nan 0.000 0.522 142 S N 0.426 116.122 115.700 -0.006 0.000 2.558 142 S HA 0.299 4.769 4.470 0.000 0.000 0.288 142 S C 0.465 175.064 174.600 -0.001 0.000 1.318 142 S CA 0.067 58.261 58.200 -0.010 0.000 1.056 142 S CB 0.818 64.005 63.200 -0.021 0.000 0.853 142 S HN 0.502 nan 8.310 nan 0.000 0.505 143 N N 3.170 121.863 118.700 -0.012 0.000 2.500 143 N HA 0.274 5.014 4.740 0.000 0.000 0.236 143 N C -1.744 173.760 175.510 -0.009 0.000 1.022 143 N CA -2.298 50.739 53.050 -0.023 0.000 0.935 143 N CB 1.121 39.570 38.487 -0.064 0.000 1.147 143 N HN 0.208 nan 8.380 nan 0.000 0.512 144 P HA -0.074 nan 4.420 nan 0.000 0.225 144 P C 0.429 177.758 177.300 0.049 0.000 1.148 144 P CA 0.980 64.105 63.100 0.042 0.000 0.779 144 P CB 0.556 32.295 31.700 0.066 0.000 0.780 145 E N -0.353 119.864 120.200 0.029 0.000 2.285 145 E HA -0.083 4.267 4.350 0.000 0.000 0.194 145 E C 0.909 177.528 176.600 0.032 0.000 0.997 145 E CA 0.463 56.903 56.400 0.067 0.000 0.845 145 E CB -0.172 29.529 29.700 0.001 0.000 0.782 145 E HN 0.286 nan 8.360 nan 0.000 0.491 146 Q N 2.336 122.115 119.800 -0.036 0.000 2.296 146 Q HA 0.008 4.348 4.340 0.000 0.000 0.263 146 Q C -0.826 175.185 176.000 0.019 0.000 1.026 146 Q CA -0.049 55.732 55.803 -0.036 0.000 0.912 146 Q CB 0.619 29.325 28.738 -0.055 0.000 1.198 146 Q HN -0.186 nan 8.270 nan 0.000 0.407 147 D N 6.169 126.598 120.400 0.048 0.000 2.358 147 D HA 0.072 4.712 4.640 0.000 0.000 0.258 147 D C -1.706 174.612 176.300 0.030 0.000 1.223 147 D CA -1.973 52.056 54.000 0.047 0.000 0.886 147 D CB 1.246 42.085 40.800 0.065 0.000 1.120 147 D HN 0.413 nan 8.370 nan 0.000 0.482 148 P HA -0.111 nan 4.420 nan 0.000 0.220 148 P C 1.337 178.642 177.300 0.008 0.000 1.148 148 P CA 0.818 63.920 63.100 0.003 0.000 0.803 148 P CB 0.285 31.975 31.700 -0.017 0.000 0.782 149 L N -1.278 119.951 121.223 0.010 0.000 2.591 149 L HA 0.126 4.466 4.340 0.000 0.000 0.228 149 L C 1.523 178.401 176.870 0.014 0.000 1.133 149 L CA 0.363 55.208 54.840 0.009 0.000 0.880 149 L CB -0.322 41.738 42.059 0.002 0.000 1.033 149 L HN -0.141 nan 8.230 nan 0.000 0.450 150 R N -0.185 120.334 120.500 0.030 0.000 2.776 150 R HA 0.222 4.562 4.340 0.000 0.000 0.391 150 R C -0.438 175.913 176.300 0.085 0.000 1.116 150 R CA -0.261 55.865 56.100 0.044 0.000 1.056 150 R CB 0.240 30.569 30.300 0.048 0.000 1.369 150 R HN 0.055 nan 8.270 nan 0.000 0.590 151 N N 0.554 119.286 118.700 0.054 0.000 2.432 151 N HA 0.393 5.133 4.740 0.000 0.000 0.292 151 N C -0.846 174.596 175.510 -0.113 0.000 1.193 151 N CA -0.698 52.375 53.050 0.038 0.000 0.878 151 N CB 1.330 39.838 38.487 0.035 0.000 1.252 151 N HN 0.069 nan 8.380 nan 0.000 0.520 152 L N 2.058 123.076 121.223 -0.341 0.000 2.504 152 L HA 0.237 4.577 4.340 0.000 0.000 0.249 152 L C 1.332 178.041 176.870 -0.268 0.000 1.120 152 L CA -0.285 54.242 54.840 -0.522 0.000 0.997 152 L CB 0.532 41.900 42.059 -1.152 0.000 1.349 152 L HN 0.649 nan 8.230 nan 0.000 0.439 153 S N -0.393 115.238 115.700 -0.114 0.000 2.423 153 S HA -0.102 4.368 4.470 0.000 0.000 0.231 153 S C 1.795 176.376 174.600 -0.032 0.000 1.014 153 S CA 0.923 59.100 58.200 -0.038 0.000 0.965 153 S CB -0.143 63.048 63.200 -0.014 0.000 0.785 153 S HN 0.626 nan 8.310 nan 0.000 0.495 154 G N 0.444 109.210 108.800 -0.056 0.000 2.744 154 G HA2 0.061 4.021 3.960 0.000 0.000 0.211 154 G HA3 0.061 4.021 3.960 0.000 0.000 0.211 154 G C 0.516 175.386 174.900 -0.050 0.000 1.143 154 G CA -0.140 44.938 45.100 -0.038 0.000 0.788 154 G HN 0.571 nan 8.290 nan 0.000 0.534 155 Q N 0.871 120.619 119.800 -0.087 0.000 2.313 155 Q HA 0.552 4.892 4.340 0.000 0.000 0.266 155 Q C -0.271 175.753 176.000 0.040 0.000 0.989 155 Q CA 0.194 55.963 55.803 -0.058 0.000 0.890 155 Q CB 0.937 29.577 28.738 -0.164 0.000 1.200 155 Q HN 0.242 nan 8.270 nan 0.000 0.396 156 A N 3.202 126.055 122.820 0.056 0.000 2.556 156 A HA 0.755 5.075 4.320 0.000 0.000 0.294 156 A C -1.260 176.393 177.584 0.116 0.000 1.091 156 A CA -0.230 51.858 52.037 0.084 0.000 0.704 156 A CB 1.307 20.344 19.000 0.061 0.000 1.300 156 A HN 0.924 nan 8.150 nan 0.000 0.406 157 V N -1.744 118.261 119.914 0.151 0.000 3.019 157 V HA 0.945 5.065 4.120 0.000 0.000 0.317 157 V C -0.312 175.885 176.094 0.172 0.000 1.094 157 V CA -0.532 61.882 62.300 0.190 0.000 1.000 157 V CB 1.628 33.637 31.823 0.309 0.000 1.060 157 V HN 0.849 nan 8.190 nan 0.000 0.443 158 T N 2.454 117.109 114.554 0.169 0.000 2.824 158 T HA 0.568 4.918 4.350 0.000 0.000 0.282 158 T C -0.281 174.482 174.700 0.104 0.000 0.993 158 T CA -0.482 61.706 62.100 0.145 0.000 0.967 158 T CB 1.140 70.120 68.868 0.187 0.000 0.960 158 T HN 0.753 nan 8.240 nan 0.000 0.441 159 R N 2.631 123.181 120.500 0.083 0.000 2.505 159 R HA 0.556 4.896 4.340 0.000 0.000 0.284 159 R C -0.647 175.683 176.300 0.050 0.000 1.324 159 R CA -0.512 55.612 56.100 0.040 0.000 1.432 159 R CB 0.633 30.947 30.300 0.022 0.000 1.107 159 R HN 0.509 nan 8.270 nan 0.000 0.587 160 V N -2.128 117.815 119.914 0.049 0.000 3.147 160 V HA 0.474 4.594 4.120 0.000 0.000 0.306 160 V C 0.042 176.162 176.094 0.044 0.000 1.209 160 V CA -1.138 61.194 62.300 0.053 0.000 1.023 160 V CB 2.039 33.902 31.823 0.067 0.000 1.059 160 V HN 0.066 nan 8.190 nan 0.000 0.435 161 V N 3.225 123.167 119.914 0.047 0.000 2.540 161 V HA 0.505 4.625 4.120 0.000 0.000 0.297 161 V C 1.716 177.837 176.094 0.046 0.000 1.024 161 V CA 1.900 64.228 62.300 0.048 0.000 1.105 161 V CB -0.046 31.808 31.823 0.052 0.000 0.938 161 V HN 2.012 nan 8.190 nan 0.000 0.482 162 G N 3.312 112.134 108.800 0.038 0.000 2.258 162 G HA2 0.043 4.003 3.960 0.000 0.000 0.233 162 G HA3 0.043 4.003 3.960 0.000 0.000 0.233 162 G C 0.952 175.840 174.900 -0.021 0.000 1.006 162 G CA 0.105 45.217 45.100 0.020 0.000 0.620 162 G HN 2.309 nan 8.290 nan 0.000 0.511 166 T N 0.191 114.634 114.554 -0.186 0.000 3.088 166 T HA 0.127 4.477 4.350 0.000 0.000 0.259 166 T C 1.332 175.861 174.700 -0.285 0.000 1.122 166 T CA 1.144 63.154 62.100 -0.150 0.000 1.095 166 T CB -0.780 68.093 68.868 0.008 0.000 0.930 166 T HN 0.864 nan 8.240 nan 0.000 0.508 167 H N -1.936 117.052 119.070 -0.137 0.000 3.535 167 H HA 0.199 4.755 4.556 0.000 0.000 0.260 167 H C 0.558 176.078 175.328 0.320 0.000 1.173 167 H CA -0.971 55.122 56.048 0.075 0.000 1.168 167 H CB -0.427 29.380 29.762 0.075 0.000 1.568 167 H HN 0.486 nan 8.280 nan 0.000 0.602 168 W N 2.778 123.980 121.300 -0.162 0.000 2.079 168 W HA 0.295 4.955 4.660 0.000 0.000 0.354 168 W C 0.086 176.711 176.519 0.176 0.000 1.302 168 W CA -0.190 57.186 57.345 0.052 0.000 1.281 168 W CB -0.067 29.357 29.460 -0.060 0.000 1.165 168 W HN -0.192 nan 8.180 nan 0.000 0.603 169 T N 1.229 115.736 114.554 -0.078 0.000 3.055 169 T HA -0.032 4.318 4.350 0.000 0.000 0.265 169 T C 1.097 175.359 174.700 -0.730 0.000 1.111 169 T CA 1.439 63.336 62.100 -0.339 0.000 1.118 169 T CB -0.456 68.386 68.868 -0.044 0.000 0.909 169 T HN 0.681 nan 8.240 nan 0.000 0.501 170 C N 0.682 119.144 119.300 -1.395 0.000 4.617 170 C HA -0.108 4.352 4.460 0.000 0.000 0.260 170 C C 1.073 175.587 174.990 -0.792 0.000 1.288 170 C CA -0.802 57.156 59.018 -1.766 0.000 1.668 170 C CB -2.591 24.584 27.740 -0.942 0.000 1.518 170 C HN 0.758 nan 8.230 nan 0.000 0.708 171 A N 1.148 123.714 122.820 -0.422 0.000 2.404 171 A HA 0.551 4.871 4.320 0.000 0.000 0.273 171 A C 0.773 178.297 177.584 -0.100 0.000 1.144 171 A CA 1.185 53.124 52.037 -0.163 0.000 0.806 171 A CB 0.156 19.124 19.000 -0.053 0.000 1.080 171 A HN 1.384 nan 8.150 nan 0.000 0.509 172 T N 1.536 116.049 114.554 -0.069 0.000 3.542 172 T HA 0.500 4.850 4.350 0.000 0.000 0.276 172 T C -2.723 171.944 174.700 -0.054 0.000 1.412 172 T CA -1.333 60.765 62.100 -0.003 0.000 1.664 172 T CB 0.633 69.547 68.868 0.077 0.000 0.863 172 T HN 0.472 nan 8.240 nan 0.000 0.661 173 P HA 0.396 nan 4.420 nan 0.000 0.281 173 P C -0.230 176.920 177.300 -0.250 0.000 1.249 173 P CA -0.656 62.348 63.100 -0.159 0.000 0.810 173 P CB 1.231 32.822 31.700 -0.181 0.000 1.008 174 R N 1.038 121.298 120.500 -0.400 0.000 2.594 174 R HA 0.337 4.677 4.340 0.000 0.000 0.272 174 R C 0.066 176.206 176.300 -0.266 0.000 1.074 174 R CA -0.309 55.323 56.100 -0.780 0.000 1.105 174 R CB 0.136 29.872 30.300 -0.940 0.000 1.008 174 R HN 0.395 nan 8.270 nan 0.000 0.472 175 F N 2.301 122.008 119.950 -0.405 0.000 2.396 175 F HA 0.045 4.572 4.527 0.000 0.000 0.343 175 F C 1.082 176.690 175.800 -0.320 0.000 1.104 175 F CA -1.513 56.279 58.000 -0.346 0.000 1.161 175 F CB 0.305 39.086 39.000 -0.365 0.000 1.146 175 F HN 0.562 nan 8.300 nan 0.000 0.522 176 D N 2.781 123.113 120.400 -0.112 0.000 2.414 176 D HA 0.104 4.744 4.640 0.000 0.000 0.259 176 D C 1.093 177.317 176.300 -0.127 0.000 1.269 176 D CA -0.343 53.595 54.000 -0.103 0.000 1.028 176 D CB 0.567 41.331 40.800 -0.061 0.000 1.093 176 D HN 0.465 nan 8.370 nan 0.000 0.545 177 R N -0.588 119.868 120.500 -0.073 0.000 2.083 177 R HA -0.123 4.217 4.340 0.000 0.000 0.237 177 R C 2.124 178.387 176.300 -0.061 0.000 1.137 177 R CA 1.276 57.346 56.100 -0.050 0.000 0.951 177 R CB -0.217 30.086 30.300 0.006 0.000 0.851 177 R HN 0.576 nan 8.270 nan 0.000 0.434 178 E N 0.671 120.839 120.200 -0.053 0.000 2.187 178 E HA -0.254 4.096 4.350 0.000 0.000 0.199 178 E C 1.846 178.345 176.600 -0.169 0.000 1.004 178 E CA 1.455 57.828 56.400 -0.045 0.000 0.813 178 E CB 0.055 29.807 29.700 0.087 0.000 0.736 178 E HN 0.483 nan 8.360 nan 0.000 0.468 179 Q N -0.259 119.340 119.800 -0.336 0.000 2.402 179 Q HA 0.008 4.349 4.340 0.000 0.000 0.206 179 Q C 0.605 176.486 176.000 -0.198 0.000 0.919 179 Q CA 0.150 55.674 55.803 -0.464 0.000 0.923 179 Q CB 0.382 28.565 28.738 -0.925 0.000 1.048 179 Q HN 0.146 nan 8.270 nan 0.000 0.515 180 R N 1.060 121.494 120.500 -0.110 0.000 2.778 180 R HA 0.518 4.858 4.340 0.000 0.000 0.277 180 R C -2.824 173.490 176.300 0.023 0.000 0.977 180 R CA -2.143 53.914 56.100 -0.071 0.000 0.950 180 R CB 0.577 30.618 30.300 -0.430 0.000 1.165 180 R HN -0.270 nan 8.270 nan 0.000 0.474 181 P HA 0.009 nan 4.420 nan 0.000 0.271 181 P C -0.577 176.913 177.300 0.316 0.000 1.216 181 P CA -0.538 62.674 63.100 0.187 0.000 0.776 181 P CB 0.511 32.310 31.700 0.165 0.000 0.881 182 L N 3.050 124.432 121.223 0.266 0.000 2.455 182 L HA 0.042 4.382 4.340 0.000 0.000 0.272 182 L C 1.481 178.524 176.870 0.289 0.000 1.174 182 L CA 0.500 55.555 54.840 0.358 0.000 0.869 182 L CB -0.405 41.923 42.059 0.448 0.000 1.130 182 L HN 0.397 nan 8.230 nan 0.000 0.474 183 L N 4.037 125.424 121.223 0.273 0.000 2.470 183 L HA 0.203 4.543 4.340 0.000 0.000 0.219 183 L C -0.131 176.886 176.870 0.245 0.000 1.071 183 L CA 0.147 55.027 54.840 0.066 0.000 0.850 183 L CB 0.265 42.144 42.059 -0.299 0.000 1.040 183 L HN 0.303 nan 8.230 nan 0.000 0.475 184 V N 0.129 120.202 119.914 0.265 0.000 2.531 184 V HA 0.264 4.384 4.120 0.000 0.000 0.301 184 V C -0.237 175.942 176.094 0.140 0.000 1.034 184 V CA -1.092 61.320 62.300 0.187 0.000 0.865 184 V CB 1.793 33.666 31.823 0.083 0.000 0.995 184 V HN 0.047 nan 8.190 nan 0.000 0.424 185 K N 2.706 123.077 120.400 -0.047 0.000 2.322 185 K HA 0.223 4.543 4.320 0.000 0.000 0.283 185 K C -0.003 176.553 176.600 -0.072 0.000 1.042 185 K CA -0.016 56.165 56.287 -0.176 0.000 0.958 185 K CB 0.247 32.476 32.500 -0.452 0.000 0.984 185 K HN 0.795 nan 8.250 nan 0.000 0.473 186 D N 1.878 122.258 120.400 -0.033 0.000 2.751 186 D HA -0.208 4.432 4.640 0.000 0.000 0.233 186 D C -0.741 175.560 176.300 0.002 0.000 1.149 186 D CA 1.291 55.283 54.000 -0.014 0.000 0.682 186 D CB -0.722 40.056 40.800 -0.036 0.000 1.068 186 D HN 0.534 nan 8.370 nan 0.000 0.429 187 D N -1.309 119.104 120.400 0.021 0.000 2.381 187 D HA 0.466 5.106 4.640 0.000 0.000 0.245 187 D C 0.988 177.319 176.300 0.052 0.000 1.297 187 D CA 0.100 54.118 54.000 0.030 0.000 0.931 187 D CB 0.613 41.426 40.800 0.022 0.000 1.334 187 D HN 0.003 nan 8.370 nan 0.000 0.535 188 A N 2.722 125.573 122.820 0.053 0.000 1.908 188 A HA -0.188 4.132 4.320 0.000 0.000 0.218 188 A C 1.590 179.219 177.584 0.076 0.000 1.181 188 A CA 1.465 53.543 52.037 0.069 0.000 0.627 188 A CB -0.003 19.031 19.000 0.057 0.000 0.818 188 A HN 0.447 nan 8.150 nan 0.000 0.445 189 D N 0.010 120.445 120.400 0.058 0.000 2.149 189 D HA 0.009 4.649 4.640 0.000 0.000 0.201 189 D C 2.171 178.508 176.300 0.062 0.000 0.972 189 D CA 1.419 55.453 54.000 0.057 0.000 0.835 189 D CB -0.473 40.352 40.800 0.041 0.000 0.966 189 D HN 0.439 nan 8.370 nan 0.000 0.476 190 A N 0.799 123.652 122.820 0.054 0.000 1.969 190 A HA -0.184 4.136 4.320 0.000 0.000 0.218 190 A C 1.926 179.547 177.584 0.061 0.000 1.169 190 A CA 1.841 53.905 52.037 0.046 0.000 0.635 190 A CB -0.486 18.533 19.000 0.032 0.000 0.810 190 A HN 0.184 nan 8.150 nan 0.000 0.445 191 D N -0.394 120.066 120.400 0.100 0.000 2.123 191 D HA -0.129 4.511 4.640 0.000 0.000 0.200 191 D C 1.231 177.676 176.300 0.240 0.000 0.976 191 D CA 1.371 55.465 54.000 0.158 0.000 0.831 191 D CB -0.100 40.829 40.800 0.214 0.000 0.974 191 D HN 0.321 nan 8.370 nan 0.000 0.469 192 D N -0.141 120.382 120.400 0.205 0.000 2.104 192 D HA -0.124 4.516 4.640 0.000 0.000 0.194 192 D C 1.977 178.384 176.300 0.179 0.000 0.994 192 D CA 1.595 55.722 54.000 0.211 0.000 0.830 192 D CB -0.519 40.362 40.800 0.135 0.000 0.959 192 D HN 0.326 nan 8.370 nan 0.000 0.452 193 A N 0.440 123.323 122.820 0.106 0.000 1.898 193 A HA -0.157 4.163 4.320 0.000 0.000 0.216 193 A C 2.122 179.727 177.584 0.034 0.000 1.181 193 A CA 1.782 53.858 52.037 0.066 0.000 0.620 193 A CB -0.570 18.453 19.000 0.040 0.000 0.819 193 A HN 0.191 nan 8.150 nan 0.000 0.442 194 E N -0.826 119.371 120.200 -0.005 0.000 2.085 194 E HA -0.227 4.123 4.350 0.000 0.000 0.194 194 E C 1.664 178.171 176.600 -0.156 0.000 0.994 194 E CA 1.704 58.035 56.400 -0.115 0.000 0.801 194 E CB -0.415 29.170 29.700 -0.191 0.000 0.743 194 E HN 0.742 nan 8.360 nan 0.000 0.453 195 W N 0.428 121.707 121.300 -0.035 0.000 2.388 195 W HA -0.064 4.596 4.660 0.000 0.000 0.294 195 W C 2.091 178.630 176.519 0.033 0.000 1.212 195 W CA 1.057 58.358 57.345 -0.075 0.000 1.271 195 W CB -0.214 29.252 29.460 0.009 0.000 1.126 195 W HN 0.235 nan 8.180 nan 0.000 0.535 196 D N -0.114 120.468 120.400 0.303 0.000 2.117 196 D HA -0.198 4.442 4.640 0.000 0.000 0.197 196 D C 2.159 178.534 176.300 0.125 0.000 0.987 196 D CA 1.369 55.504 54.000 0.225 0.000 0.829 196 D CB -0.109 40.779 40.800 0.145 0.000 0.961 196 D HN -0.076 nan 8.370 nan 0.000 0.460 197 R N -0.386 120.140 120.500 0.043 0.000 2.080 197 R HA -0.108 4.232 4.340 0.000 0.000 0.236 197 R C 2.422 178.688 176.300 -0.058 0.000 1.137 197 R CA 1.325 57.412 56.100 -0.022 0.000 0.943 197 R CB -0.295 29.969 30.300 -0.059 0.000 0.846 197 R HN 0.260 nan 8.270 nan 0.000 0.431 198 L N -0.883 120.276 121.223 -0.107 0.000 2.027 198 L HA -0.176 4.164 4.340 0.000 0.000 0.206 198 L C 2.396 179.206 176.870 -0.100 0.000 1.074 198 L CA 1.156 55.884 54.840 -0.186 0.000 0.745 198 L CB -0.723 41.128 42.059 -0.347 0.000 0.898 198 L HN 0.196 nan 8.230 nan 0.000 0.433 199 Y N 0.558 120.872 120.300 0.023 0.000 2.151 199 Y HA -0.278 4.272 4.550 0.000 0.000 0.284 199 Y C 2.909 178.786 175.900 -0.040 0.000 1.166 199 Y CA 1.708 59.818 58.100 0.016 0.000 1.163 199 Y CB -1.207 37.288 38.460 0.057 0.000 0.974 199 Y HN 0.140 nan 8.280 nan 0.000 0.511 200 T N -0.493 114.131 114.554 0.117 0.000 2.746 200 T HA -0.205 4.145 4.350 0.000 0.000 0.267 200 T C 1.988 176.646 174.700 -0.070 0.000 1.039 200 T CA 1.682 63.798 62.100 0.027 0.000 1.142 200 T CB -0.186 68.692 68.868 0.017 0.000 0.866 200 T HN 0.203 nan 8.240 nan 0.000 0.444 201 K N 0.802 121.108 120.400 -0.157 0.000 2.026 201 K HA -0.021 4.299 4.320 0.000 0.000 0.208 201 K C 2.468 178.740 176.600 -0.546 0.000 1.048 201 K CA 1.242 57.304 56.287 -0.376 0.000 0.929 201 K CB -0.318 31.933 32.500 -0.414 0.000 0.713 201 K HN 0.265 nan 8.250 nan 0.000 0.439 202 A N 1.036 123.661 122.820 -0.326 0.000 1.933 202 A HA -0.206 4.114 4.320 0.000 0.000 0.218 202 A C 1.797 179.377 177.584 -0.006 0.000 1.175 202 A CA 1.767 53.683 52.037 -0.202 0.000 0.628 202 A CB -0.457 18.517 19.000 -0.043 0.000 0.814 202 A HN 0.442 nan 8.150 nan 0.000 0.444 203 E N 0.004 120.232 120.200 0.046 0.000 2.150 203 E HA -0.137 4.214 4.350 0.000 0.000 0.193 203 E C 2.305 178.976 176.600 0.119 0.000 0.985 203 E CA 1.309 57.784 56.400 0.125 0.000 0.814 203 E CB -0.137 29.614 29.700 0.085 0.000 0.752 203 E HN 0.797 nan 8.360 nan 0.000 0.466 204 S N -0.112 115.607 115.700 0.033 0.000 2.414 204 S HA -0.113 4.357 4.470 0.000 0.000 0.227 204 S C 1.857 176.576 174.600 0.200 0.000 1.022 204 S CA 0.329 58.575 58.200 0.076 0.000 0.958 204 S CB -0.293 62.921 63.200 0.024 0.000 0.797 204 S HN 0.176 nan 8.310 nan 0.000 0.493 205 Y N 0.900 121.225 120.300 0.041 0.000 2.181 205 Y HA 0.118 4.669 4.550 0.000 0.000 0.288 205 Y C 2.097 178.061 175.900 0.108 0.000 1.146 205 Y CA 0.131 58.234 58.100 0.005 0.000 1.164 205 Y CB -1.179 37.209 38.460 -0.121 0.000 0.982 205 Y HN 0.384 nan 8.280 nan 0.000 0.515 206 F N 0.080 120.175 119.950 0.242 0.000 2.615 206 F HA -0.090 4.437 4.527 0.000 0.000 0.297 206 F C 0.619 176.524 175.800 0.176 0.000 1.124 206 F CA 0.186 58.317 58.000 0.219 0.000 1.451 206 F CB 0.251 39.397 39.000 0.243 0.000 1.103 206 F HN -0.013 nan 8.300 nan 0.000 0.569 207 Q N 0.694 120.684 119.800 0.317 0.000 2.478 207 Q HA -0.172 4.168 4.340 0.000 0.000 0.286 207 Q C -0.052 176.024 176.000 0.126 0.000 1.299 207 Q CA 0.755 56.664 55.803 0.177 0.000 0.826 207 Q CB -2.702 26.117 28.738 0.135 0.000 1.199 207 Q HN 0.196 nan 8.270 nan 0.000 0.451 208 T N 0.199 114.842 114.554 0.149 0.000 2.908 208 T HA 0.369 4.719 4.350 0.000 0.000 0.301 208 T C 0.824 175.551 174.700 0.044 0.000 1.019 208 T CA 0.734 62.887 62.100 0.088 0.000 1.152 208 T CB 1.080 70.014 68.868 0.111 0.000 0.966 208 T HN 0.491 nan 8.240 nan 0.000 0.540 209 G N 0.939 109.750 108.800 0.019 0.000 2.708 209 G HA2 0.565 4.526 3.960 0.000 0.000 0.289 209 G HA3 0.565 4.526 3.960 0.000 0.000 0.289 209 G C 0.051 174.960 174.900 0.014 0.000 1.416 209 G CA -0.624 44.481 45.100 0.007 0.000 0.829 209 G HN 0.600 nan 8.290 nan 0.000 0.480 210 T N -2.333 112.230 114.554 0.015 0.000 3.339 210 T HA 0.284 4.634 4.350 0.000 0.000 0.292 210 T C 0.080 174.795 174.700 0.026 0.000 1.012 210 T CA 0.420 62.541 62.100 0.035 0.000 0.937 210 T CB 0.378 69.272 68.868 0.043 0.000 1.164 210 T HN 0.506 nan 8.240 nan 0.000 0.509 211 D N 0.117 120.510 120.400 -0.011 0.000 2.520 211 D HA 0.061 4.701 4.640 0.000 0.000 0.223 211 D C 1.354 177.582 176.300 -0.120 0.000 1.186 211 D CA -0.101 53.870 54.000 -0.048 0.000 0.821 211 D CB -0.141 40.627 40.800 -0.053 0.000 1.072 211 D HN 0.245 nan 8.370 nan 0.000 0.518 212 Q N -0.414 119.309 119.800 -0.128 0.000 2.291 212 Q HA 0.136 4.476 4.340 0.000 0.000 0.205 212 Q C 0.384 176.014 176.000 -0.615 0.000 0.970 212 Q CA 1.033 56.636 55.803 -0.334 0.000 0.876 212 Q CB -0.244 28.291 28.738 -0.339 0.000 0.935 212 Q HN 0.302 nan 8.270 nan 0.000 0.455 213 F N -0.147 119.636 119.950 -0.279 0.000 2.683 213 F HA 0.221 4.748 4.527 0.000 0.000 0.306 213 F C 1.396 176.977 175.800 -0.365 0.000 1.102 213 F CA -0.544 57.245 58.000 -0.353 0.000 1.244 213 F CB 0.393 39.112 39.000 -0.467 0.000 1.029 213 F HN -0.021 nan 8.300 nan 0.000 0.545 214 K N 0.568 120.870 120.400 -0.164 0.000 2.103 214 K HA -0.165 4.155 4.320 0.000 0.000 0.207 214 K C 1.005 177.536 176.600 -0.116 0.000 1.048 214 K CA 1.831 58.074 56.287 -0.074 0.000 0.930 214 K CB -0.261 32.186 32.500 -0.089 0.000 0.716 214 K HN 0.314 nan 8.250 nan 0.000 0.444 215 E N 1.463 121.481 120.200 -0.304 0.000 2.444 215 E HA 0.034 4.384 4.350 0.000 0.000 0.191 215 E C -0.481 176.003 176.600 -0.193 0.000 1.041 215 E CA -0.275 55.760 56.400 -0.609 0.000 0.883 215 E CB 0.633 29.902 29.700 -0.719 0.000 1.024 215 E HN 0.243 nan 8.360 nan 0.000 0.470 216 S N 0.724 116.443 115.700 0.031 0.000 2.505 216 S HA 0.134 4.604 4.470 0.000 0.000 0.276 216 S C 1.266 175.994 174.600 0.213 0.000 1.274 216 S CA -0.424 57.858 58.200 0.137 0.000 1.053 216 S CB 0.412 63.746 63.200 0.223 0.000 0.919 216 S HN 0.187 nan 8.310 nan 0.000 0.490 217 I N 5.019 125.601 120.570 0.020 0.000 2.163 217 I HA -0.195 3.975 4.170 0.000 0.000 0.243 217 I C 2.727 178.728 176.117 -0.194 0.000 1.085 217 I CA 1.331 62.408 61.300 -0.371 0.000 1.347 217 I CB -0.189 37.340 38.000 -0.784 0.000 1.044 217 I HN 0.707 nan 8.210 nan 0.000 0.408 218 R N -0.635 119.823 120.500 -0.070 0.000 2.075 218 R HA -0.220 4.120 4.340 0.000 0.000 0.232 218 R C 2.362 178.713 176.300 0.085 0.000 1.126 218 R CA 1.648 57.748 56.100 -0.000 0.000 0.963 218 R CB -0.586 29.721 30.300 0.012 0.000 0.858 218 R HN 0.435 nan 8.270 nan 0.000 0.435 219 H N 1.009 120.119 119.070 0.067 0.000 2.319 219 H HA -0.047 4.509 4.556 0.000 0.000 0.299 219 H C 1.735 177.144 175.328 0.135 0.000 1.092 219 H CA 1.882 57.986 56.048 0.093 0.000 1.302 219 H CB -0.006 29.842 29.762 0.144 0.000 1.373 219 H HN 0.137 nan 8.280 nan 0.000 0.497 220 N N -0.059 118.779 118.700 0.230 0.000 2.270 220 N HA -0.111 4.629 4.740 0.000 0.000 0.181 220 N C 1.967 177.623 175.510 0.244 0.000 1.016 220 N CA 0.878 54.090 53.050 0.270 0.000 0.870 220 N CB -0.108 38.715 38.487 0.559 0.000 0.979 220 N HN 0.294 nan 8.380 nan 0.000 0.431 221 L N 1.529 122.920 121.223 0.280 0.000 1.970 221 L HA -0.137 4.203 4.340 0.000 0.000 0.212 221 L C 2.198 179.122 176.870 0.090 0.000 1.071 221 L CA 1.447 56.441 54.840 0.256 0.000 0.751 221 L CB -0.715 41.464 42.059 0.201 0.000 0.889 221 L HN -0.134 nan 8.230 nan 0.000 0.432 222 V N -0.567 119.353 119.914 0.009 0.000 2.261 222 V HA -0.289 3.831 4.120 0.000 0.000 0.246 222 V C 2.481 178.492 176.094 -0.139 0.000 1.047 222 V CA 1.818 64.080 62.300 -0.063 0.000 1.015 222 V CB -0.821 30.935 31.823 -0.111 0.000 0.642 222 V HN 0.534 nan 8.190 nan 0.000 0.446 223 L N 1.008 122.118 121.223 -0.188 0.000 1.990 223 L HA -0.207 4.133 4.340 0.000 0.000 0.213 223 L C 2.218 179.013 176.870 -0.125 0.000 1.072 223 L CA 2.209 56.930 54.840 -0.198 0.000 0.755 223 L CB -0.945 40.973 42.059 -0.235 0.000 0.889 223 L HN 0.316 nan 8.230 nan 0.000 0.432 224 N N -0.293 118.385 118.700 -0.037 0.000 2.223 224 N HA -0.200 4.540 4.740 0.000 0.000 0.185 224 N C 1.808 177.293 175.510 -0.042 0.000 1.016 224 N CA 1.323 54.366 53.050 -0.011 0.000 0.863 224 N CB -0.267 38.238 38.487 0.029 0.000 0.983 224 N HN 0.342 nan 8.380 nan 0.000 0.429 225 K N 1.142 121.511 120.400 -0.050 0.000 2.031 225 K HA 0.109 4.429 4.320 0.000 0.000 0.205 225 K C 1.907 178.451 176.600 -0.093 0.000 1.049 225 K CA 0.760 57.019 56.287 -0.046 0.000 0.939 225 K CB -0.370 32.124 32.500 -0.010 0.000 0.717 225 K HN 0.070 nan 8.250 nan 0.000 0.438 226 L N 0.308 121.395 121.223 -0.226 0.000 2.046 226 L HA -0.122 4.218 4.340 0.000 0.000 0.208 226 L C 2.524 179.184 176.870 -0.350 0.000 1.077 226 L CA 1.331 55.907 54.840 -0.441 0.000 0.747 226 L CB -0.755 40.602 42.059 -1.170 0.000 0.896 226 L HN 0.296 nan 8.230 nan 0.000 0.432 227 A N -0.586 122.070 122.820 -0.274 0.000 1.940 227 A HA -0.247 4.073 4.320 0.000 0.000 0.219 227 A C 2.321 179.963 177.584 0.096 0.000 1.176 227 A CA 1.788 53.864 52.037 0.064 0.000 0.631 227 A CB -0.457 18.596 19.000 0.088 0.000 0.814 227 A HN 0.422 nan 8.150 nan 0.000 0.446 228 E N -0.351 119.862 120.200 0.022 0.000 2.028 228 E HA -0.164 4.186 4.350 0.000 0.000 0.191 228 E C 1.877 178.482 176.600 0.009 0.000 0.988 228 E CA 1.089 57.497 56.400 0.014 0.000 0.799 228 E CB -0.180 29.509 29.700 -0.018 0.000 0.755 228 E HN 0.592 nan 8.360 nan 0.000 0.447 229 E N -0.433 119.757 120.200 -0.016 0.000 2.204 229 E HA -0.175 4.175 4.350 0.000 0.000 0.195 229 E C 0.994 177.471 176.600 -0.205 0.000 0.990 229 E CA 0.894 57.225 56.400 -0.116 0.000 0.821 229 E CB -0.059 29.551 29.700 -0.149 0.000 0.750 229 E HN 0.410 nan 8.360 nan 0.000 0.477 230 Y N 0.216 120.562 120.300 0.075 0.000 2.636 230 Y HA 0.172 4.722 4.550 0.000 0.000 0.260 230 Y C 0.614 176.581 175.900 0.112 0.000 1.177 230 Y CA -0.389 57.792 58.100 0.136 0.000 1.209 230 Y CB 0.501 39.150 38.460 0.314 0.000 1.166 230 Y HN -0.288 nan 8.280 nan 0.000 0.531 231 K N 0.911 121.409 120.400 0.163 0.000 2.453 231 K HA 0.085 4.405 4.320 0.000 0.000 0.280 231 K C 1.105 177.764 176.600 0.098 0.000 1.045 231 K CA 1.269 57.629 56.287 0.121 0.000 1.059 231 K CB -0.054 32.485 32.500 0.066 0.000 0.901 231 K HN 0.662 nan 8.250 nan 0.000 0.475 232 G N 3.398 112.257 108.800 0.099 0.000 2.148 232 G HA2 -0.296 3.664 3.960 0.000 0.000 0.254 232 G HA3 -0.296 3.664 3.960 0.000 0.000 0.254 232 G C 0.539 175.489 174.900 0.084 0.000 0.981 232 G CA 0.795 45.940 45.100 0.075 0.000 0.670 232 G HN 0.747 nan 8.290 nan 0.000 0.528 233 Q N -1.572 118.302 119.800 0.123 0.000 2.534 233 Q HA 0.281 4.621 4.340 0.000 0.000 0.252 233 Q C 1.170 177.229 176.000 0.100 0.000 0.850 233 Q CA 0.153 56.034 55.803 0.129 0.000 0.974 233 Q CB 0.881 29.732 28.738 0.188 0.000 1.205 233 Q HN 0.465 nan 8.270 nan 0.000 0.593 234 R N 0.629 121.193 120.500 0.107 0.000 2.651 234 R HA 0.371 4.711 4.340 0.000 0.000 0.278 234 R C -1.635 174.648 176.300 -0.029 0.000 1.010 234 R CA -0.648 55.402 56.100 -0.082 0.000 0.896 234 R CB 1.821 31.861 30.300 -0.433 0.000 1.211 234 R HN 0.008 nan 8.270 nan 0.000 0.456 235 D N 1.909 122.222 120.400 -0.144 0.000 2.163 235 D HA 0.406 5.046 4.640 0.000 0.000 0.248 235 D C -0.642 175.519 176.300 -0.232 0.000 1.035 235 D CA 0.045 54.015 54.000 -0.050 0.000 0.872 235 D CB 1.362 42.152 40.800 -0.016 0.000 1.183 235 D HN 0.147 nan 8.370 nan 0.000 0.445 236 F N 0.638 120.588 119.950 0.001 0.000 2.561 236 F HA 0.378 4.905 4.527 0.000 0.000 0.321 236 F C 0.497 176.305 175.800 0.012 0.000 1.065 236 F CA -0.606 57.386 58.000 -0.013 0.000 0.934 236 F CB 1.909 40.895 39.000 -0.024 0.000 1.215 236 F HN 0.213 nan 8.300 nan 0.000 0.471 237 Q N 0.105 120.023 119.800 0.196 0.000 2.685 237 Q HA 0.309 4.649 4.340 0.000 0.000 0.301 237 Q C -1.521 174.587 176.000 0.180 0.000 0.924 237 Q CA -1.293 54.605 55.803 0.159 0.000 0.755 237 Q CB 1.663 30.462 28.738 0.102 0.000 1.470 237 Q HN 0.602 nan 8.270 nan 0.000 0.434 238 Q N 1.066 121.006 119.800 0.233 0.000 2.286 238 Q HA 0.111 4.451 4.340 0.000 0.000 0.290 238 Q C -0.463 175.616 176.000 0.132 0.000 1.049 238 Q CA 0.096 56.050 55.803 0.253 0.000 0.923 238 Q CB 0.359 29.213 28.738 0.193 0.000 1.183 238 Q HN 0.546 nan 8.270 nan 0.000 0.383 239 I N 7.254 127.884 120.570 0.100 0.000 2.821 239 I HA -0.085 4.085 4.170 0.000 0.000 0.294 239 I C -1.957 174.189 176.117 0.047 0.000 1.210 239 I CA -1.289 60.045 61.300 0.057 0.000 1.430 239 I CB 0.064 38.073 38.000 0.015 0.000 1.356 239 I HN 0.436 nan 8.210 nan 0.000 0.563 240 P HA 0.156 nan 4.420 nan 0.000 0.265 240 P C -0.864 176.436 177.300 -0.000 0.000 1.222 240 P CA 0.296 63.404 63.100 0.014 0.000 0.767 240 P CB 0.343 32.037 31.700 -0.011 0.000 0.801 241 L N 2.609 123.840 121.223 0.013 0.000 2.346 241 L HA 0.640 4.981 4.340 0.000 0.000 0.276 241 L C 0.413 177.269 176.870 -0.024 0.000 1.006 241 L CA -1.143 53.698 54.840 0.003 0.000 0.817 241 L CB 2.004 44.133 42.059 0.116 0.000 1.272 241 L HN 0.236 nan 8.230 nan 0.000 0.421 242 A N 3.192 125.947 122.820 -0.107 0.000 2.527 242 A HA 0.772 5.092 4.320 0.000 0.000 0.313 242 A C -0.024 177.549 177.584 -0.019 0.000 1.410 242 A CA 0.045 52.040 52.037 -0.070 0.000 1.060 242 A CB -0.222 18.631 19.000 -0.244 0.000 1.137 242 A HN 0.817 nan 8.150 nan 0.000 0.542 243 A N 1.894 124.688 122.820 -0.043 0.000 2.581 243 A HA 0.703 5.023 4.320 0.000 0.000 0.294 243 A C -0.549 176.908 177.584 -0.212 0.000 1.035 243 A CA -0.441 51.482 52.037 -0.190 0.000 0.684 243 A CB 0.609 19.359 19.000 -0.416 0.000 1.282 243 A HN 0.691 nan 8.150 nan 0.000 0.417 244 T N 1.358 115.750 114.554 -0.270 0.000 2.879 244 T HA 0.498 4.848 4.350 0.000 0.000 0.290 244 T C -0.097 174.429 174.700 -0.291 0.000 0.993 244 T CA -0.426 61.547 62.100 -0.213 0.000 0.975 244 T CB 1.304 70.110 68.868 -0.104 0.000 0.981 244 T HN 0.736 nan 8.240 nan 0.000 0.439 245 R N 2.090 122.413 120.500 -0.295 0.000 2.442 245 R HA 0.291 4.631 4.340 0.000 0.000 0.291 245 R C 0.739 176.950 176.300 -0.148 0.000 1.069 245 R CA -0.339 55.585 56.100 -0.294 0.000 1.022 245 R CB 0.400 30.497 30.300 -0.338 0.000 0.976 245 R HN 0.347 nan 8.270 nan 0.000 0.443 246 R N 0.880 121.346 120.500 -0.055 0.000 2.142 246 R HA 0.161 4.501 4.340 0.000 0.000 0.204 246 R C 0.246 176.532 176.300 -0.023 0.000 1.059 246 R CA 0.964 57.070 56.100 0.010 0.000 1.055 246 R CB -0.013 30.371 30.300 0.140 0.000 0.976 246 R HN 0.775 nan 8.270 nan 0.000 0.483 247 S N -1.517 114.178 115.700 -0.007 0.000 2.671 247 S HA 0.456 4.926 4.470 0.000 0.000 0.277 247 S C -2.552 172.014 174.600 -0.057 0.000 1.165 247 S CA -1.149 57.032 58.200 -0.032 0.000 0.822 247 S CB 2.198 65.391 63.200 -0.011 0.000 1.150 247 S HN -0.203 nan 8.310 nan 0.000 0.479 248 P HA 0.084 nan 4.420 nan 0.000 0.231 248 P C 0.770 178.033 177.300 -0.061 0.000 1.158 248 P CA 1.172 64.221 63.100 -0.086 0.000 0.763 248 P CB -0.205 31.459 31.700 -0.060 0.000 0.805 249 T N -6.188 108.363 114.554 -0.005 0.000 3.231 249 T HA 0.326 4.676 4.350 0.000 0.000 0.292 249 T C -0.349 174.407 174.700 0.094 0.000 1.001 249 T CA -0.385 61.734 62.100 0.031 0.000 0.920 249 T CB -0.725 68.179 68.868 0.060 0.000 1.140 249 T HN -0.098 nan 8.240 nan 0.000 0.525 250 F N 1.574 121.454 119.950 -0.116 0.000 2.585 250 F HA 0.640 5.167 4.527 0.000 0.000 0.319 250 F C -1.634 174.025 175.800 -0.235 0.000 1.165 250 F CA -0.958 56.968 58.000 -0.124 0.000 0.949 250 F CB 1.789 40.738 39.000 -0.086 0.000 1.218 250 F HN -0.082 nan 8.300 nan 0.000 0.453 251 V N 5.237 124.661 119.914 -0.817 0.000 2.448 251 V HA 0.306 4.426 4.120 0.000 0.000 0.295 251 V C -0.397 175.020 176.094 -1.128 0.000 1.025 251 V CA -0.824 60.931 62.300 -0.910 0.000 0.859 251 V CB 1.683 32.769 31.823 -1.229 0.000 0.988 251 V HN 0.730 nan 8.190 nan 0.000 0.431 252 E N 4.312 124.140 120.200 -0.620 0.000 2.044 252 E HA 0.201 4.551 4.350 0.000 0.000 0.282 252 E C -1.227 175.150 176.600 -0.371 0.000 1.031 252 E CA -0.569 55.632 56.400 -0.332 0.000 0.824 252 E CB 0.523 30.251 29.700 0.046 0.000 1.076 252 E HN 0.637 nan 8.360 nan 0.000 0.395 253 W N 3.142 124.303 121.300 -0.231 0.000 2.272 253 W HA 0.180 4.841 4.660 0.000 0.000 0.318 253 W C 0.566 177.060 176.519 -0.040 0.000 1.255 253 W CA -0.621 56.558 57.345 -0.278 0.000 1.200 253 W CB 0.997 30.036 29.460 -0.702 0.000 1.170 253 W HN 0.334 nan 8.180 nan 0.000 0.549 254 S N 1.862 117.717 115.700 0.257 0.000 2.600 254 S HA 0.521 4.991 4.470 0.000 0.000 0.265 254 S C 0.248 175.229 174.600 0.636 0.000 1.325 254 S CA -0.468 57.955 58.200 0.373 0.000 1.002 254 S CB 0.923 64.323 63.200 0.334 0.000 0.921 254 S HN 0.526 nan 8.310 nan 0.000 0.554 255 S N -0.225 115.820 115.700 0.576 0.000 2.757 255 S HA 0.694 5.164 4.470 0.000 0.000 0.285 255 S C 0.779 175.607 174.600 0.381 0.000 1.196 255 S CA -0.345 58.150 58.200 0.491 0.000 0.856 255 S CB 0.580 64.010 63.200 0.383 0.000 1.212 255 S HN 0.710 nan 8.310 nan 0.000 0.516 256 A N 1.485 124.419 122.820 0.190 0.000 1.948 256 A HA -0.174 4.146 4.320 0.000 0.000 0.220 256 A C 2.013 179.668 177.584 0.118 0.000 1.177 256 A CA 2.110 54.215 52.037 0.113 0.000 0.636 256 A CB -1.475 17.554 19.000 0.048 0.000 0.815 256 A HN 0.851 nan 8.150 nan 0.000 0.449 257 N N -0.363 118.415 118.700 0.130 0.000 2.166 257 N HA -0.153 4.587 4.740 0.000 0.000 0.186 257 N C 1.544 177.097 175.510 0.073 0.000 1.019 257 N CA 2.072 55.170 53.050 0.080 0.000 0.856 257 N CB -0.294 38.247 38.487 0.091 0.000 0.993 257 N HN 0.458 nan 8.380 nan 0.000 0.426 258 T N 0.521 115.169 114.554 0.156 0.000 2.759 258 T HA -0.073 4.277 4.350 0.000 0.000 0.269 258 T C 2.058 176.819 174.700 0.102 0.000 1.042 258 T CA 1.271 63.465 62.100 0.157 0.000 1.140 258 T CB -0.221 68.813 68.868 0.276 0.000 0.864 258 T HN 0.070 nan 8.240 nan 0.000 0.455 259 V N -0.717 119.247 119.914 0.083 0.000 2.407 259 V HA 0.212 4.332 4.120 0.000 0.000 0.245 259 V C 0.458 176.529 176.094 -0.038 0.000 1.041 259 V CA 0.836 63.109 62.300 -0.045 0.000 1.040 259 V CB -0.346 31.387 31.823 -0.151 0.000 0.671 259 V HN 0.484 nan 8.190 nan 0.000 0.455 260 F N 1.126 120.963 119.950 -0.187 0.000 2.630 260 F HA 0.379 4.906 4.527 0.000 0.000 0.325 260 F C 0.336 176.024 175.800 -0.187 0.000 1.184 260 F CA -1.540 56.314 58.000 -0.244 0.000 1.011 260 F CB 1.431 40.228 39.000 -0.338 0.000 1.268 260 F HN 0.133 nan 8.300 nan 0.000 0.480 261 D N 4.988 124.976 120.400 -0.686 0.000 2.348 261 D HA -0.086 4.554 4.640 0.000 0.000 0.216 261 D C 1.266 177.328 176.300 -0.396 0.000 0.970 261 D CA 1.288 55.032 54.000 -0.427 0.000 0.889 261 D CB 0.020 40.603 40.800 -0.362 0.000 0.912 261 D HN 0.719 nan 8.370 nan 0.000 0.524 262 L N -2.239 118.576 121.223 -0.681 0.000 4.937 262 L HA -0.231 4.109 4.340 0.000 0.000 0.422 262 L C -0.061 176.773 176.870 -0.060 0.000 1.059 262 L CA 0.372 55.075 54.840 -0.228 0.000 1.111 262 L CB -1.458 40.621 42.059 0.033 0.000 2.033 262 L HN 0.178 nan 8.230 nan 0.000 0.708 263 Q N 1.073 120.745 119.800 -0.213 0.000 2.395 263 Q HA 0.153 4.493 4.340 0.000 0.000 0.271 263 Q C 0.420 176.465 176.000 0.075 0.000 1.026 263 Q CA 0.311 56.068 55.803 -0.075 0.000 0.900 263 Q CB 0.382 29.045 28.738 -0.125 0.000 1.266 263 Q HN 0.139 nan 8.270 nan 0.000 0.430 264 N N 1.654 120.404 118.700 0.084 0.000 2.492 264 N HA 0.126 4.866 4.740 0.000 0.000 0.260 264 N C -0.390 175.185 175.510 0.108 0.000 1.215 264 N CA 0.206 53.327 53.050 0.118 0.000 0.923 264 N CB 0.588 39.063 38.487 -0.020 0.000 1.092 264 N HN 0.225 nan 8.380 nan 0.000 0.448 265 R N 1.440 122.043 120.500 0.173 0.000 2.750 265 R HA 0.518 4.858 4.340 0.000 0.000 0.281 265 R C -2.443 173.949 176.300 0.152 0.000 0.972 265 R CA -1.608 54.580 56.100 0.146 0.000 0.912 265 R CB 1.587 31.993 30.300 0.177 0.000 1.187 265 R HN 0.374 nan 8.270 nan 0.000 0.464 266 P HA 0.171 nan 4.420 nan 0.000 0.275 266 P C -1.344 176.003 177.300 0.079 0.000 1.228 266 P CA -0.454 62.730 63.100 0.140 0.000 0.786 266 P CB 0.727 32.553 31.700 0.211 0.000 0.927 267 N N -1.275 117.452 118.700 0.046 0.000 2.853 267 N HA 0.273 5.013 4.740 0.000 0.000 0.258 267 N C 0.434 175.946 175.510 0.002 0.000 1.444 267 N CA -0.793 52.268 53.050 0.018 0.000 0.837 267 N CB -0.474 38.013 38.487 0.001 0.000 1.489 267 N HN 0.029 nan 8.380 nan 0.000 0.529 268 T N -0.963 113.588 114.554 -0.006 0.000 2.759 268 T HA -0.110 4.240 4.350 0.000 0.000 0.269 268 T C 0.367 175.054 174.700 -0.022 0.000 1.042 268 T CA 1.556 63.649 62.100 -0.011 0.000 1.140 268 T CB -0.414 68.447 68.868 -0.012 0.000 0.864 268 T HN 0.534 nan 8.240 nan 0.000 0.455 269 D N 0.952 121.334 120.400 -0.030 0.000 2.347 269 D HA 0.248 4.888 4.640 0.000 0.000 0.213 269 D C 0.549 176.823 176.300 -0.042 0.000 0.985 269 D CA 0.301 54.278 54.000 -0.039 0.000 0.879 269 D CB 0.247 41.017 40.800 -0.049 0.000 0.919 269 D HN 0.366 nan 8.370 nan 0.000 0.526 270 A N 1.301 124.100 122.820 -0.035 0.000 3.005 270 A HA 0.322 4.642 4.320 0.000 0.000 0.308 270 A C -2.144 175.423 177.584 -0.027 0.000 1.173 270 A CA -0.841 51.176 52.037 -0.034 0.000 0.796 270 A CB 1.188 20.171 19.000 -0.028 0.000 1.325 270 A HN -0.195 nan 8.150 nan 0.000 0.467 271 P HA -0.079 nan 4.420 nan 0.000 0.225 271 P C 0.535 177.758 177.300 -0.129 0.000 1.156 271 P CA 1.139 64.207 63.100 -0.053 0.000 0.787 271 P CB 0.287 31.950 31.700 -0.063 0.000 0.802 272 E N -0.821 119.246 120.200 -0.222 0.000 2.583 272 E HA 0.189 4.539 4.350 0.000 0.000 0.213 272 E C 0.022 176.494 176.600 -0.213 0.000 0.989 272 E CA -0.257 55.843 56.400 -0.500 0.000 0.991 272 E CB 0.184 29.553 29.700 -0.551 0.000 1.040 272 E HN 0.306 nan 8.360 nan 0.000 0.481 273 E N 1.772 121.958 120.200 -0.024 0.000 2.313 273 E HA 0.358 4.708 4.350 0.000 0.000 0.272 273 E C -0.487 176.236 176.600 0.203 0.000 1.038 273 E CA -0.412 56.042 56.400 0.089 0.000 0.863 273 E CB 1.170 30.923 29.700 0.089 0.000 1.060 273 E HN 0.017 nan 8.360 nan 0.000 0.402 274 R N 2.341 122.986 120.500 0.242 0.000 2.439 274 R HA 0.481 4.821 4.340 0.000 0.000 0.310 274 R C -1.366 175.103 176.300 0.281 0.000 0.955 274 R CA -0.591 55.664 56.100 0.259 0.000 0.853 274 R CB 1.081 31.531 30.300 0.250 0.000 1.171 274 R HN 0.412 nan 8.270 nan 0.000 0.449 275 F N 2.048 122.043 119.950 0.075 0.000 2.615 275 F HA 0.431 4.958 4.527 0.000 0.000 0.312 275 F C -1.687 174.066 175.800 -0.078 0.000 1.119 275 F CA -0.633 57.374 58.000 0.012 0.000 0.979 275 F CB 2.100 41.174 39.000 0.124 0.000 1.266 275 F HN 0.434 nan 8.300 nan 0.000 0.444 276 N N 4.619 122.704 118.700 -1.024 0.000 2.295 276 N HA 0.579 5.319 4.740 0.000 0.000 0.293 276 N C -2.078 172.450 175.510 -1.636 0.000 1.040 276 N CA -0.640 51.748 53.050 -1.103 0.000 0.840 276 N CB 2.378 40.380 38.487 -0.809 0.000 1.468 276 N HN 0.577 nan 8.380 nan 0.000 0.478 277 L N 2.621 123.095 121.223 -1.248 0.000 2.282 277 L HA 0.650 4.990 4.340 0.000 0.000 0.288 277 L C -1.686 174.636 176.870 -0.913 0.000 1.033 277 L CA -0.287 54.038 54.840 -0.859 0.000 0.807 277 L CB 0.147 42.067 42.059 -0.231 0.000 1.209 277 L HN 0.449 nan 8.230 nan 0.000 0.423 278 F N 6.466 126.171 119.950 -0.408 0.000 2.359 278 F HA 0.556 5.083 4.527 0.000 0.000 0.369 278 F C -2.120 173.643 175.800 -0.061 0.000 1.084 278 F CA -2.069 55.799 58.000 -0.220 0.000 1.096 278 F CB 0.795 39.648 39.000 -0.245 0.000 1.335 278 F HN 0.425 nan 8.300 nan 0.000 0.457 279 P HA 0.310 nan 4.420 nan 0.000 0.276 279 P C -0.012 177.355 177.300 0.112 0.000 1.252 279 P CA -0.208 62.944 63.100 0.088 0.000 0.802 279 P CB 1.057 32.787 31.700 0.049 0.000 1.035 280 A N -0.784 122.083 122.820 0.078 0.000 2.822 280 A HA -0.113 4.207 4.320 0.000 0.000 0.287 280 A C -0.018 177.603 177.584 0.060 0.000 1.479 280 A CA 0.758 52.832 52.037 0.060 0.000 0.779 280 A CB -2.410 16.625 19.000 0.058 0.000 1.022 280 A HN 0.272 nan 8.150 nan 0.000 0.532 281 V N -0.159 119.808 119.914 0.088 0.000 2.376 281 V HA 0.648 4.768 4.120 0.000 0.000 0.287 281 V C 0.581 176.687 176.094 0.021 0.000 1.015 281 V CA -0.247 62.107 62.300 0.090 0.000 0.834 281 V CB 1.493 33.466 31.823 0.249 0.000 1.001 281 V HN 1.428 nan 8.190 nan 0.000 0.428 282 A N 4.486 127.288 122.820 -0.029 0.000 2.347 282 A HA 0.455 4.775 4.320 0.000 0.000 0.287 282 A C 0.175 177.732 177.584 -0.046 0.000 1.199 282 A CA -0.195 51.798 52.037 -0.073 0.000 0.851 282 A CB -0.127 18.844 19.000 -0.048 0.000 1.118 282 A HN 0.859 nan 8.150 nan 0.000 0.525 283 C N 2.771 122.020 119.300 -0.085 0.000 2.499 283 C HA 0.318 4.778 4.460 0.000 0.000 0.386 283 C C 1.393 176.341 174.990 -0.070 0.000 1.293 283 C CA -0.226 58.734 59.018 -0.098 0.000 1.884 283 C CB -0.350 27.326 27.740 -0.106 0.000 2.509 283 C HN 1.010 nan 8.230 nan 0.000 0.566 284 E N 0.886 121.060 120.200 -0.043 0.000 2.290 284 E HA 0.088 4.438 4.350 0.000 0.000 0.199 284 E C 0.470 177.036 176.600 -0.058 0.000 0.912 284 E CA 0.271 56.651 56.400 -0.033 0.000 0.924 284 E CB 0.464 30.165 29.700 0.002 0.000 0.901 284 E HN 0.788 nan 8.360 nan 0.000 0.487 285 R N -0.026 120.435 120.500 -0.065 0.000 2.664 285 R HA 0.382 4.722 4.340 0.000 0.000 0.266 285 R C -0.994 175.213 176.300 -0.155 0.000 1.046 285 R CA -0.829 55.201 56.100 -0.117 0.000 0.885 285 R CB 0.895 31.105 30.300 -0.150 0.000 1.254 285 R HN -0.068 nan 8.270 nan 0.000 0.465 286 V N -0.299 119.514 119.914 -0.168 0.000 2.539 286 V HA 0.668 4.788 4.120 0.000 0.000 0.292 286 V C -0.074 175.881 176.094 -0.232 0.000 1.045 286 V CA -0.818 61.341 62.300 -0.235 0.000 0.945 286 V CB 1.681 33.335 31.823 -0.283 0.000 0.993 286 V HN 0.506 nan 8.190 nan 0.000 0.464 287 V N 5.085 124.839 119.914 -0.266 0.000 2.370 287 V HA 0.494 4.614 4.120 0.000 0.000 0.279 287 V C 0.467 176.482 176.094 -0.130 0.000 1.029 287 V CA -0.458 61.712 62.300 -0.217 0.000 0.870 287 V CB 1.074 32.768 31.823 -0.215 0.000 0.984 287 V HN 0.962 nan 8.190 nan 0.000 0.451 288 R N 3.656 124.107 120.500 -0.082 0.000 2.459 288 R HA 0.361 4.701 4.340 0.000 0.000 0.281 288 R C 0.356 176.681 176.300 0.041 0.000 1.050 288 R CA -0.586 55.537 56.100 0.038 0.000 1.055 288 R CB 0.671 30.989 30.300 0.030 0.000 1.045 288 R HN 0.863 nan 8.270 nan 0.000 0.495 289 N N 1.372 120.128 118.700 0.094 0.000 2.317 289 N HA 0.015 4.755 4.740 0.000 0.000 0.245 289 N C 0.543 176.061 175.510 0.013 0.000 1.294 289 N CA 0.131 53.208 53.050 0.045 0.000 0.924 289 N CB 0.299 38.815 38.487 0.049 0.000 1.186 289 N HN 0.558 nan 8.380 nan 0.000 0.495 290 A N -0.590 122.228 122.820 -0.005 0.000 1.972 290 A HA -0.070 4.250 4.320 0.000 0.000 0.219 290 A C 1.795 179.356 177.584 -0.039 0.000 1.169 290 A CA 0.933 52.958 52.037 -0.021 0.000 0.635 290 A CB -0.575 18.415 19.000 -0.016 0.000 0.810 290 A HN 0.494 nan 8.150 nan 0.000 0.446 291 L N -0.037 121.156 121.223 -0.050 0.000 2.599 291 L HA 0.103 4.443 4.340 0.000 0.000 0.230 291 L C 0.097 176.869 176.870 -0.164 0.000 1.141 291 L CA 0.329 55.117 54.840 -0.087 0.000 0.877 291 L CB -1.289 40.723 42.059 -0.078 0.000 1.009 291 L HN 0.443 nan 8.230 nan 0.000 0.447 292 N N 0.021 118.628 118.700 -0.154 0.000 2.699 292 N HA -0.218 4.522 4.740 0.000 0.000 0.256 292 N C 1.019 175.930 175.510 -0.999 0.000 0.993 292 N CA 0.952 53.809 53.050 -0.321 0.000 0.759 292 N CB -1.035 37.342 38.487 -0.184 0.000 0.906 292 N HN 0.544 nan 8.380 nan 0.000 0.541 293 S N -1.944 113.354 115.700 -0.671 0.000 2.649 293 S HA 0.229 4.699 4.470 0.000 0.000 0.246 293 S C 0.225 174.698 174.600 -0.212 0.000 1.057 293 S CA -0.232 57.609 58.200 -0.598 0.000 1.051 293 S CB 1.548 64.608 63.200 -0.234 0.000 1.018 293 S HN 0.382 nan 8.310 nan 0.000 0.569 294 E N 0.544 120.846 120.200 0.169 0.000 2.388 294 E HA 0.345 4.695 4.350 0.000 0.000 0.289 294 E C -1.684 175.151 176.600 0.391 0.000 0.944 294 E CA -0.705 55.912 56.400 0.362 0.000 0.792 294 E CB 1.282 31.100 29.700 0.196 0.000 1.239 294 E HN 0.122 nan 8.360 nan 0.000 0.412 295 I N 3.784 124.515 120.570 0.268 0.000 2.441 295 I HA 0.084 4.254 4.170 0.000 0.000 0.287 295 I C 1.121 177.223 176.117 -0.026 0.000 1.049 295 I CA 0.327 61.601 61.300 -0.043 0.000 1.381 295 I CB 1.146 38.891 38.000 -0.425 0.000 1.409 295 I HN 0.711 nan 8.210 nan 0.000 0.523 296 E N 2.841 123.006 120.200 -0.059 0.000 2.389 296 E HA 0.086 4.436 4.350 0.000 0.000 0.199 296 E C 0.389 177.037 176.600 0.081 0.000 0.978 296 E CA 0.283 56.716 56.400 0.055 0.000 0.912 296 E CB 0.808 30.539 29.700 0.051 0.000 0.907 296 E HN 0.595 nan 8.360 nan 0.000 0.494 297 S N -0.258 115.390 115.700 -0.086 0.000 2.595 297 S HA 0.451 4.921 4.470 0.000 0.000 0.270 297 S C -2.267 172.286 174.600 -0.079 0.000 1.145 297 S CA -0.820 57.410 58.200 0.051 0.000 0.825 297 S CB 0.935 64.211 63.200 0.128 0.000 1.107 297 S HN 0.028 nan 8.310 nan 0.000 0.461 298 L N 3.563 124.856 121.223 0.117 0.000 2.343 298 L HA 0.579 4.919 4.340 0.000 0.000 0.278 298 L C -0.814 176.129 176.870 0.121 0.000 0.996 298 L CA -0.087 54.786 54.840 0.056 0.000 0.831 298 L CB 1.156 43.286 42.059 0.120 0.000 1.232 298 L HN 0.874 nan 8.230 nan 0.000 0.413 299 H N 6.226 125.244 119.070 -0.086 0.000 2.690 299 H HA 0.463 5.019 4.556 0.000 0.000 0.314 299 H C -0.251 175.016 175.328 -0.101 0.000 1.069 299 H CA -0.297 55.706 56.048 -0.074 0.000 1.436 299 H CB 1.052 30.773 29.762 -0.068 0.000 1.462 299 H HN 0.688 nan 8.280 nan 0.000 0.511 300 I N 0.115 120.674 120.570 -0.018 0.000 2.846 300 I HA 0.383 4.553 4.170 0.000 0.000 0.307 300 I C -0.776 175.389 176.117 0.080 0.000 1.053 300 I CA -0.976 60.291 61.300 -0.055 0.000 1.050 300 I CB 2.891 40.730 38.000 -0.269 0.000 1.239 300 I HN 0.581 nan 8.210 nan 0.000 0.439 301 H N 3.199 122.253 119.070 -0.026 0.000 2.762 301 H HA 0.211 4.767 4.556 0.000 0.000 0.310 301 H C -1.269 174.094 175.328 0.058 0.000 1.004 301 H CA -0.674 55.381 56.048 0.013 0.000 1.267 301 H CB 1.322 31.090 29.762 0.011 0.000 1.437 301 H HN 0.769 nan 8.280 nan 0.000 0.498 302 D N 5.674 126.128 120.400 0.089 0.000 2.382 302 D HA -0.026 4.614 4.640 0.000 0.000 0.259 302 D C 1.108 177.276 176.300 -0.220 0.000 1.224 302 D CA -0.022 53.985 54.000 0.013 0.000 0.894 302 D CB 0.978 41.890 40.800 0.188 0.000 1.127 302 D HN 0.693 nan 8.370 nan 0.000 0.487 303 L N 4.343 125.447 121.223 -0.197 0.000 2.395 303 L HA -0.099 4.241 4.340 0.000 0.000 0.218 303 L C 1.895 178.716 176.870 -0.083 0.000 1.130 303 L CA -0.004 54.706 54.840 -0.216 0.000 0.826 303 L CB -0.046 41.964 42.059 -0.082 0.000 0.941 303 L HN 0.525 nan 8.230 nan 0.000 0.451 304 I N -0.339 120.217 120.570 -0.024 0.000 2.272 304 I HA -0.156 4.014 4.170 0.000 0.000 0.235 304 I C 2.820 178.947 176.117 0.017 0.000 1.071 304 I CA 1.687 62.994 61.300 0.011 0.000 1.374 304 I CB -1.338 36.684 38.000 0.035 0.000 1.121 304 I HN 0.260 nan 8.210 nan 0.000 0.420 305 S N 0.823 116.546 115.700 0.038 0.000 2.383 305 S HA -0.079 4.391 4.470 0.000 0.000 0.229 305 S C 1.900 176.526 174.600 0.043 0.000 1.030 305 S CA 1.591 59.824 58.200 0.056 0.000 1.002 305 S CB -0.570 62.694 63.200 0.106 0.000 0.829 305 S HN 0.712 nan 8.310 nan 0.000 0.467 306 G N 0.788 109.601 108.800 0.020 0.000 2.213 306 G HA2 -0.179 3.781 3.960 0.000 0.000 0.236 306 G HA3 -0.179 3.781 3.960 0.000 0.000 0.236 306 G C -0.291 174.703 174.900 0.157 0.000 0.991 306 G CA 0.179 45.323 45.100 0.073 0.000 0.629 306 G HN 0.584 nan 8.290 nan 0.000 0.517 307 D N 0.465 120.910 120.400 0.074 0.000 2.329 307 D HA 0.528 5.168 4.640 0.000 0.000 0.246 307 D C 0.725 176.950 176.300 -0.126 0.000 1.111 307 D CA 0.011 53.963 54.000 -0.080 0.000 0.941 307 D CB 0.777 41.441 40.800 -0.226 0.000 1.169 307 D HN 0.305 nan 8.370 nan 0.000 0.441 308 R N 0.724 120.987 120.500 -0.394 0.000 2.589 308 R HA 0.567 4.907 4.340 0.000 0.000 0.293 308 R C -0.849 175.050 176.300 -0.669 0.000 0.963 308 R CA -0.648 55.263 56.100 -0.316 0.000 0.905 308 R CB 1.262 31.427 30.300 -0.224 0.000 1.144 308 R HN 0.282 nan 8.270 nan 0.000 0.459 309 F N 0.115 119.985 119.950 -0.133 0.000 2.599 309 F HA 0.320 4.847 4.527 0.000 0.000 0.311 309 F C -0.031 175.639 175.800 -0.218 0.000 1.076 309 F CA -0.959 56.946 58.000 -0.158 0.000 0.937 309 F CB 2.067 40.993 39.000 -0.123 0.000 1.282 309 F HN 0.295 nan 8.300 nan 0.000 0.460 310 E N 2.608 122.813 120.200 0.008 0.000 2.146 310 E HA 0.429 4.779 4.350 0.000 0.000 0.282 310 E C -0.959 175.690 176.600 0.082 0.000 0.989 310 E CA -0.484 55.916 56.400 0.001 0.000 0.799 310 E CB 1.195 30.884 29.700 -0.018 0.000 1.088 310 E HN 0.227 nan 8.360 nan 0.000 0.397 311 I N 3.186 123.814 120.570 0.096 0.000 2.359 311 I HA 0.289 4.459 4.170 0.000 0.000 0.294 311 I C 0.021 176.268 176.117 0.216 0.000 0.987 311 I CA -0.734 60.644 61.300 0.130 0.000 1.225 311 I CB 1.276 39.339 38.000 0.105 0.000 1.366 311 I HN 0.375 nan 8.210 nan 0.000 0.466 312 K N 4.233 124.735 120.400 0.171 0.000 2.182 312 K HA 0.835 5.155 4.320 0.000 0.000 0.262 312 K C -0.952 175.705 176.600 0.095 0.000 0.957 312 K CA -0.303 56.093 56.287 0.182 0.000 0.842 312 K CB 1.974 34.544 32.500 0.116 0.000 1.099 312 K HN 0.829 nan 8.250 nan 0.000 0.438 313 A N 2.408 125.215 122.820 -0.021 0.000 2.610 313 A HA 0.350 4.670 4.320 0.000 0.000 0.291 313 A C -0.751 176.610 177.584 -0.373 0.000 1.086 313 A CA -0.670 51.191 52.037 -0.294 0.000 0.677 313 A CB 1.129 19.780 19.000 -0.581 0.000 1.278 313 A HN 0.741 nan 8.150 nan 0.000 0.414 314 D N -0.558 119.676 120.400 -0.278 0.000 2.277 314 D HA 0.191 4.831 4.640 0.000 0.000 0.209 314 D C 0.148 176.278 176.300 -0.284 0.000 0.970 314 D CA 1.430 55.354 54.000 -0.126 0.000 0.874 314 D CB 0.647 41.441 40.800 -0.011 0.000 0.982 314 D HN 0.234 nan 8.370 nan 0.000 0.504 315 V N 1.122 120.739 119.914 -0.495 0.000 2.588 315 V HA 0.298 4.419 4.120 0.000 0.000 0.304 315 V C -1.204 174.619 176.094 -0.452 0.000 1.042 315 V CA -0.846 61.183 62.300 -0.451 0.000 0.877 315 V CB 1.715 33.165 31.823 -0.622 0.000 0.996 315 V HN -0.062 nan 8.190 nan 0.000 0.425 316 Y N 2.835 123.113 120.300 -0.037 0.000 2.364 316 Y HA 0.732 5.282 4.550 0.000 0.000 0.340 316 Y C -0.105 175.751 175.900 -0.073 0.000 0.975 316 Y CA -0.950 57.118 58.100 -0.053 0.000 1.089 316 Y CB 2.188 40.616 38.460 -0.053 0.000 1.192 316 Y HN 0.358 nan 8.280 nan 0.000 0.454 317 V N 5.278 125.165 119.914 -0.044 0.000 2.531 317 V HA 0.413 4.533 4.120 0.000 0.000 0.301 317 V C -0.653 175.326 176.094 -0.192 0.000 1.034 317 V CA -0.957 61.200 62.300 -0.237 0.000 0.865 317 V CB 1.759 33.213 31.823 -0.615 0.000 0.995 317 V HN 0.577 nan 8.190 nan 0.000 0.424 318 L N 4.895 126.002 121.223 -0.193 0.000 2.294 318 L HA 0.630 4.970 4.340 0.000 0.000 0.283 318 L C 0.269 177.065 176.870 -0.123 0.000 1.015 318 L CA -0.232 54.518 54.840 -0.149 0.000 0.831 318 L CB 1.585 43.537 42.059 -0.179 0.000 1.217 318 L HN 0.813 nan 8.230 nan 0.000 0.420 319 T N -1.708 112.808 114.554 -0.063 0.000 3.741 319 T HA 0.370 4.720 4.350 0.000 0.000 0.242 319 T C 0.612 175.331 174.700 0.031 0.000 1.042 319 T CA -0.069 62.031 62.100 0.001 0.000 1.278 319 T CB 1.033 69.909 68.868 0.013 0.000 0.994 319 T HN 0.534 nan 8.240 nan 0.000 0.594 320 A N 0.764 123.608 122.820 0.040 0.000 2.307 320 A HA 0.780 5.100 4.320 0.000 0.000 0.218 320 A C 1.400 179.065 177.584 0.135 0.000 1.228 320 A CA 0.126 52.203 52.037 0.067 0.000 0.857 320 A CB -0.723 18.306 19.000 0.049 0.000 0.897 320 A HN 1.746 nan 8.150 nan 0.000 0.495 321 G N -2.520 106.362 108.800 0.135 0.000 2.663 321 G HA2 0.267 4.227 3.960 0.000 0.000 0.686 321 G HA3 0.267 4.227 3.960 0.000 0.000 0.686 321 G C 0.745 175.759 174.900 0.190 0.000 1.288 321 G CA -0.296 44.898 45.100 0.156 0.000 0.836 321 G HN 1.253 nan 8.290 nan 0.000 0.584 322 A N -0.667 122.251 122.820 0.163 0.000 1.969 322 A HA 0.256 4.576 4.320 0.000 0.000 0.218 322 A C 2.616 180.299 177.584 0.164 0.000 1.169 322 A CA 3.167 55.295 52.037 0.152 0.000 0.635 322 A CB -0.335 18.724 19.000 0.098 0.000 0.810 322 A HN 1.562 nan 8.150 nan 0.000 0.445 323 V N -1.044 118.930 119.914 0.101 0.000 2.331 323 V HA -0.171 3.949 4.120 0.000 0.000 0.242 323 V C 2.198 178.297 176.094 0.009 0.000 1.034 323 V CA 2.087 64.404 62.300 0.029 0.000 1.027 323 V CB -1.005 30.727 31.823 -0.152 0.000 0.667 323 V HN 0.718 nan 8.190 nan 0.000 0.457 324 H N -0.148 119.004 119.070 0.135 0.000 2.502 324 H HA 0.005 4.561 4.556 0.000 0.000 0.283 324 H C 2.208 177.534 175.328 -0.003 0.000 1.015 324 H CA 0.872 56.948 56.048 0.047 0.000 1.298 324 H CB 0.090 29.864 29.762 0.019 0.000 1.411 324 H HN 0.311 nan 8.280 nan 0.000 0.556 325 N N -0.302 118.478 118.700 0.133 0.000 2.166 325 N HA -0.107 4.633 4.740 0.000 0.000 0.186 325 N C 1.677 177.183 175.510 -0.006 0.000 1.019 325 N CA 1.602 54.666 53.050 0.023 0.000 0.856 325 N CB -0.301 38.193 38.487 0.011 0.000 0.993 325 N HN 0.321 nan 8.380 nan 0.000 0.426 326 T N 0.733 115.358 114.554 0.118 0.000 2.770 326 T HA -0.121 4.229 4.350 0.000 0.000 0.263 326 T C 1.828 176.449 174.700 -0.132 0.000 1.039 326 T CA 0.833 63.025 62.100 0.153 0.000 1.142 326 T CB -0.185 68.912 68.868 0.381 0.000 0.868 326 T HN 0.302 nan 8.240 nan 0.000 0.435 327 Q N 0.431 119.994 119.800 -0.395 0.000 2.077 327 Q HA -0.143 4.197 4.340 0.000 0.000 0.206 327 Q C 2.305 178.007 176.000 -0.497 0.000 0.989 327 Q CA 1.416 56.619 55.803 -1.001 0.000 0.853 327 Q CB -0.332 28.077 28.738 -0.549 0.000 0.907 327 Q HN 0.484 nan 8.270 nan 0.000 0.418 328 L N 0.115 121.200 121.223 -0.230 0.000 2.056 328 L HA -0.178 4.162 4.340 0.000 0.000 0.207 328 L C 2.237 179.023 176.870 -0.139 0.000 1.078 328 L CA 0.901 55.645 54.840 -0.159 0.000 0.749 328 L CB -0.076 41.914 42.059 -0.115 0.000 0.901 328 L HN 0.307 nan 8.230 nan 0.000 0.433 329 L N -1.553 119.587 121.223 -0.139 0.000 2.093 329 L HA -0.183 4.157 4.340 0.000 0.000 0.208 329 L C 2.375 179.303 176.870 0.097 0.000 1.085 329 L CA 0.659 55.461 54.840 -0.062 0.000 0.755 329 L CB -0.406 41.528 42.059 -0.208 0.000 0.904 329 L HN 0.081 nan 8.230 nan 0.000 0.435 330 V N -0.138 119.768 119.914 -0.013 0.000 2.427 330 V HA -0.237 3.883 4.120 0.000 0.000 0.248 330 V C 2.050 178.134 176.094 -0.016 0.000 1.051 330 V CA 1.786 64.104 62.300 0.029 0.000 1.048 330 V CB -0.647 31.194 31.823 0.031 0.000 0.666 330 V HN 0.477 nan 8.190 nan 0.000 0.456 331 N N -0.008 118.634 118.700 -0.097 0.000 2.520 331 N HA -0.086 4.654 4.740 0.000 0.000 0.185 331 N C 1.427 176.906 175.510 -0.051 0.000 1.068 331 N CA 1.001 54.005 53.050 -0.077 0.000 0.911 331 N CB 0.001 38.423 38.487 -0.108 0.000 0.961 331 N HN 0.371 nan 8.380 nan 0.000 0.446 332 S N -1.651 114.042 115.700 -0.010 0.000 2.568 332 S HA 0.368 4.838 4.470 0.000 0.000 0.232 332 S C 1.035 175.595 174.600 -0.068 0.000 0.975 332 S CA 0.147 58.334 58.200 -0.022 0.000 0.949 332 S CB 0.700 63.931 63.200 0.053 0.000 0.829 332 S HN 0.520 nan 8.310 nan 0.000 0.479 333 G N 1.138 109.908 108.800 -0.049 0.000 2.176 333 G HA2 -0.233 3.727 3.960 0.000 0.000 0.232 333 G HA3 -0.233 3.727 3.960 0.000 0.000 0.232 333 G C -0.009 174.782 174.900 -0.181 0.000 0.986 333 G CA -0.562 44.458 45.100 -0.132 0.000 0.643 333 G HN 0.433 nan 8.290 nan 0.000 0.522 334 F N 1.175 121.113 119.950 -0.021 0.000 2.410 334 F HA 0.483 5.010 4.527 0.000 0.000 0.334 334 F C 1.731 177.560 175.800 0.048 0.000 1.134 334 F CA 1.275 59.282 58.000 0.011 0.000 1.227 334 F CB 0.728 39.713 39.000 -0.026 0.000 1.194 334 F HN 0.794 nan 8.300 nan 0.000 0.571 335 G N 1.731 110.694 108.800 0.272 0.000 2.582 335 G HA2 -0.296 3.664 3.960 0.000 0.000 0.288 335 G HA3 -0.296 3.664 3.960 0.000 0.000 0.288 335 G C -0.717 174.269 174.900 0.143 0.000 1.247 335 G CA 0.143 45.365 45.100 0.204 0.000 0.972 335 G HN 0.834 nan 8.290 nan 0.000 0.557 336 Q N -0.978 118.911 119.800 0.148 0.000 2.305 336 Q HA 0.620 4.960 4.340 0.000 0.000 0.271 336 Q C -1.190 174.900 176.000 0.151 0.000 1.046 336 Q CA -0.980 54.887 55.803 0.107 0.000 0.798 336 Q CB 1.839 30.614 28.738 0.061 0.000 1.286 336 Q HN 0.804 nan 8.270 nan 0.000 0.435 337 L N 3.266 124.567 121.223 0.130 0.000 2.375 337 L HA 0.794 5.134 4.340 0.000 0.000 0.271 337 L C 0.265 177.217 176.870 0.136 0.000 1.107 337 L CA 1.695 56.640 54.840 0.176 0.000 0.806 337 L CB 1.247 43.383 42.059 0.129 0.000 1.146 337 L HN 0.856 nan 8.230 nan 0.000 0.447 338 G N 3.325 112.257 108.800 0.220 0.000 2.710 338 G HA2 -0.204 3.756 3.960 0.000 0.000 0.668 338 G HA3 -0.204 3.756 3.960 0.000 0.000 0.668 338 G C -0.566 174.221 174.900 -0.189 0.000 1.320 338 G CA -0.277 44.903 45.100 0.133 0.000 0.860 338 G HN 0.911 nan 8.290 nan 0.000 0.538 339 R N 0.766 120.935 120.500 -0.552 0.000 2.504 339 R HA 0.311 4.651 4.340 0.000 0.000 0.291 339 R C -1.860 173.998 176.300 -0.735 0.000 0.974 339 R CA -0.422 54.948 56.100 -1.216 0.000 1.077 339 R CB -0.069 29.808 30.300 -0.707 0.000 0.926 339 R HN 0.344 nan 8.270 nan 0.000 0.407 340 P HA -0.101 nan 4.420 nan 0.000 0.261 340 P C -1.231 175.903 177.300 -0.276 0.000 1.183 340 P CA 0.509 63.355 63.100 -0.423 0.000 0.761 340 P CB 0.368 31.835 31.700 -0.387 0.000 0.785 341 N N 4.721 123.318 118.700 -0.172 0.000 2.540 341 N HA 0.163 4.903 4.740 0.000 0.000 0.275 341 N C -1.936 173.529 175.510 -0.076 0.000 1.053 341 N CA -2.002 50.978 53.050 -0.118 0.000 0.876 341 N CB 1.802 40.230 38.487 -0.099 0.000 1.284 341 N HN 0.094 nan 8.380 nan 0.000 0.518 342 P HA -0.066 nan 4.420 nan 0.000 0.219 342 P C 1.117 178.399 177.300 -0.029 0.000 1.150 342 P CA 1.275 64.349 63.100 -0.043 0.000 0.814 342 P CB -0.083 31.592 31.700 -0.042 0.000 0.787 343 T N -3.869 110.666 114.554 -0.032 0.000 3.163 343 T HA 0.048 4.398 4.350 0.000 0.000 0.260 343 T C 0.741 175.429 174.700 -0.020 0.000 1.156 343 T CA 0.171 62.258 62.100 -0.023 0.000 1.072 343 T CB -0.795 68.059 68.868 -0.023 0.000 0.937 343 T HN -0.004 nan 8.240 nan 0.000 0.528 344 N N 2.858 121.544 118.700 -0.022 0.000 2.790 344 N HA 0.280 5.020 4.740 0.000 0.000 0.256 344 N C -3.136 172.368 175.510 -0.011 0.000 1.409 344 N CA -0.957 52.083 53.050 -0.017 0.000 0.799 344 N CB 1.974 40.449 38.487 -0.020 0.000 1.170 344 N HN 0.338 nan 8.380 nan 0.000 0.507 345 P HA 0.322 nan 4.420 nan 0.000 0.279 345 P C -2.426 174.883 177.300 0.015 0.000 1.239 345 P CA -0.912 62.192 63.100 0.007 0.000 0.789 345 P CB 0.264 31.971 31.700 0.011 0.000 0.933 346 P HA 0.138 nan 4.420 nan 0.000 0.272 346 P C 0.917 178.236 177.300 0.032 0.000 1.223 346 P CA -0.071 63.050 63.100 0.035 0.000 0.784 346 P CB 1.110 32.848 31.700 0.063 0.000 0.923 347 E N 0.825 121.035 120.200 0.017 0.000 2.051 347 E HA -0.100 4.250 4.350 0.000 0.000 0.192 347 E C 0.042 176.662 176.600 0.033 0.000 0.991 347 E CA 1.008 57.414 56.400 0.009 0.000 0.799 347 E CB -0.033 29.657 29.700 -0.018 0.000 0.748 347 E HN 0.399 nan 8.360 nan 0.000 0.449 348 L N 0.439 121.693 121.223 0.052 0.000 2.365 348 L HA 0.320 4.660 4.340 0.000 0.000 0.273 348 L C -0.279 176.720 176.870 0.214 0.000 1.000 348 L CA -0.851 54.067 54.840 0.130 0.000 0.819 348 L CB 1.903 44.016 42.059 0.089 0.000 1.284 348 L HN 0.092 nan 8.230 nan 0.000 0.418 349 L N 2.657 124.026 121.223 0.244 0.000 3.601 349 L HA -0.167 4.173 4.340 0.000 0.000 0.469 349 L C -1.421 175.564 176.870 0.192 0.000 1.294 349 L CA -0.479 54.510 54.840 0.247 0.000 0.829 349 L CB -1.061 41.192 42.059 0.324 0.000 1.628 349 L HN 0.592 nan 8.230 nan 0.000 0.868 350 P HA -0.161 nan 4.420 nan 0.000 0.221 350 P C 1.317 178.711 177.300 0.157 0.000 1.141 350 P CA 1.305 64.480 63.100 0.126 0.000 0.794 350 P CB 0.292 32.048 31.700 0.093 0.000 0.764 351 S N -1.090 114.722 115.700 0.187 0.000 2.548 351 S HA 0.073 4.543 4.470 0.000 0.000 0.215 351 S C 0.783 175.538 174.600 0.258 0.000 0.976 351 S CA -0.439 57.911 58.200 0.250 0.000 0.908 351 S CB -0.572 62.767 63.200 0.232 0.000 0.781 351 S HN 0.063 nan 8.310 nan 0.000 0.519 352 L N 2.209 123.569 121.223 0.229 0.000 2.513 352 L HA 0.393 4.733 4.340 0.000 0.000 0.272 352 L C 1.153 178.167 176.870 0.240 0.000 1.187 352 L CA 1.226 56.208 54.840 0.238 0.000 0.895 352 L CB -0.186 42.010 42.059 0.229 0.000 1.147 352 L HN 0.327 nan 8.230 nan 0.000 0.483 353 G N 2.193 111.139 108.800 0.244 0.000 2.176 353 G HA2 -0.254 3.706 3.960 0.000 0.000 0.253 353 G HA3 -0.254 3.706 3.960 0.000 0.000 0.253 353 G C 0.424 175.436 174.900 0.187 0.000 0.979 353 G CA 0.229 45.459 45.100 0.217 0.000 0.641 353 G HN 0.786 nan 8.290 nan 0.000 0.530 354 S N -1.399 114.427 115.700 0.210 0.000 2.718 354 S HA 0.644 5.114 4.470 0.000 0.000 0.300 354 S C 0.436 175.201 174.600 0.275 0.000 1.117 354 S CA 0.148 58.429 58.200 0.135 0.000 1.002 354 S CB 0.796 64.010 63.200 0.023 0.000 1.092 354 S HN 0.942 nan 8.310 nan 0.000 0.542 355 Y N -0.988 119.382 120.300 0.117 0.000 4.177 355 Y HA -0.208 4.342 4.550 0.000 0.000 0.227 355 Y C 0.553 176.537 175.900 0.140 0.000 1.154 355 Y CA 0.228 58.397 58.100 0.116 0.000 1.887 355 Y CB -2.208 36.313 38.460 0.102 0.000 1.594 355 Y HN 0.615 nan 8.280 nan 0.000 0.668 356 I N 0.148 120.872 120.570 0.256 0.000 2.754 356 I HA 0.418 4.588 4.170 0.000 0.000 0.285 356 I C 0.639 176.911 176.117 0.258 0.000 1.166 356 I CA 0.544 61.984 61.300 0.233 0.000 1.417 356 I CB 1.220 39.352 38.000 0.219 0.000 1.382 356 I HN 0.216 nan 8.210 nan 0.000 0.588 357 T N 1.971 116.628 114.554 0.171 0.000 2.848 357 T HA 0.619 4.969 4.350 0.000 0.000 0.285 357 T C -0.670 174.022 174.700 -0.013 0.000 0.995 357 T CA -0.712 61.473 62.100 0.140 0.000 0.970 357 T CB 1.970 70.874 68.868 0.060 0.000 0.976 357 T HN 0.803 nan 8.240 nan 0.000 0.441 358 E N 1.745 121.888 120.200 -0.095 0.000 2.266 358 E HA 0.375 4.725 4.350 0.000 0.000 0.268 358 E C -0.889 175.792 176.600 0.136 0.000 0.879 358 E CA -0.605 55.719 56.400 -0.126 0.000 0.762 358 E CB 1.914 31.331 29.700 -0.471 0.000 1.199 358 E HN 0.696 nan 8.360 nan 0.000 0.422 359 Q N 1.282 121.178 119.800 0.159 0.000 2.327 359 Q HA 0.384 4.724 4.340 0.000 0.000 0.254 359 Q C -0.382 175.789 176.000 0.285 0.000 0.952 359 Q CA -0.317 55.627 55.803 0.235 0.000 0.884 359 Q CB 1.215 30.128 28.738 0.292 0.000 1.224 359 Q HN 0.475 nan 8.270 nan 0.000 0.422 360 S N 1.614 117.422 115.700 0.181 0.000 2.562 360 S HA 0.278 4.749 4.470 0.000 0.000 0.281 360 S C -0.638 174.011 174.600 0.081 0.000 1.333 360 S CA -0.354 57.840 58.200 -0.009 0.000 1.052 360 S CB 0.298 63.417 63.200 -0.134 0.000 0.884 360 S HN 0.390 nan 8.310 nan 0.000 0.506 361 L N 4.636 125.872 121.223 0.023 0.000 2.438 361 L HA 0.695 5.035 4.340 0.000 0.000 0.270 361 L C -0.817 175.914 176.870 -0.232 0.000 0.972 361 L CA -0.664 54.109 54.840 -0.111 0.000 0.831 361 L CB 1.630 43.611 42.059 -0.131 0.000 1.273 361 L HN 0.453 nan 8.230 nan 0.000 0.405 362 V N 2.066 121.764 119.914 -0.359 0.000 2.667 362 V HA 0.770 4.890 4.120 0.000 0.000 0.308 362 V C -0.938 175.033 176.094 -0.205 0.000 1.048 362 V CA -0.614 61.398 62.300 -0.480 0.000 0.928 362 V CB 1.613 32.961 31.823 -0.792 0.000 1.004 362 V HN 0.835 nan 8.190 nan 0.000 0.444 363 F N 4.622 124.368 119.950 -0.339 0.000 2.608 363 F HA 0.851 5.378 4.527 0.000 0.000 0.309 363 F C -0.422 175.258 175.800 -0.199 0.000 1.103 363 F CA -0.133 57.750 58.000 -0.195 0.000 0.954 363 F CB 1.489 40.417 39.000 -0.120 0.000 1.267 363 F HN 1.224 nan 8.300 nan 0.000 0.444 364 C N 2.727 121.397 119.300 -1.050 0.000 3.320 364 C HA 0.787 5.247 4.460 0.000 0.000 0.335 364 C C -1.830 172.637 174.990 -0.872 0.000 1.430 364 C CA -0.698 57.705 59.018 -1.026 0.000 1.271 364 C CB 1.696 29.058 27.740 -0.630 0.000 1.609 364 C HN 0.972 nan 8.230 nan 0.000 0.457 365 Q N 0.589 120.114 119.800 -0.458 0.000 2.394 365 Q HA 0.750 5.090 4.340 0.000 0.000 0.273 365 Q C -0.617 175.409 176.000 0.044 0.000 1.089 365 Q CA -0.186 55.554 55.803 -0.105 0.000 0.812 365 Q CB 2.772 31.444 28.738 -0.111 0.000 1.353 365 Q HN 0.949 nan 8.270 nan 0.000 0.438 366 T N -2.146 112.508 114.554 0.167 0.000 2.924 366 T HA 0.768 5.118 4.350 0.000 0.000 0.291 366 T C -0.130 174.627 174.700 0.095 0.000 1.045 366 T CA -0.608 61.563 62.100 0.119 0.000 1.015 366 T CB 1.252 70.197 68.868 0.129 0.000 1.103 366 T HN 0.271 nan 8.240 nan 0.000 0.496 370 T N 1.880 116.435 114.554 0.002 0.000 2.685 370 T HA -0.155 4.195 4.350 0.000 0.000 0.268 370 T C 1.510 176.220 174.700 0.017 0.000 1.034 370 T CA 2.236 64.342 62.100 0.010 0.000 1.149 370 T CB -0.597 68.273 68.868 0.003 0.000 0.860 370 T HN 0.743 nan 8.240 nan 0.000 0.449 371 E N 0.396 120.602 120.200 0.011 0.000 2.058 371 E HA -0.082 4.268 4.350 0.000 0.000 0.194 371 E C 2.283 178.903 176.600 0.034 0.000 0.997 371 E CA 0.940 57.350 56.400 0.016 0.000 0.801 371 E CB -0.253 29.449 29.700 0.004 0.000 0.746 371 E HN 0.407 nan 8.360 nan 0.000 0.450 372 L N 0.780 122.026 121.223 0.038 0.000 2.046 372 L HA -0.195 4.145 4.340 0.000 0.000 0.208 372 L C 2.380 179.295 176.870 0.074 0.000 1.077 372 L CA 0.568 55.446 54.840 0.062 0.000 0.747 372 L CB -0.282 41.814 42.059 0.060 0.000 0.896 372 L HN 0.245 nan 8.230 nan 0.000 0.432 373 I N -0.222 120.379 120.570 0.052 0.000 2.252 373 I HA -0.245 3.925 4.170 0.000 0.000 0.245 373 I C 2.116 178.269 176.117 0.059 0.000 1.102 373 I CA 1.334 62.663 61.300 0.048 0.000 1.385 373 I CB -1.140 36.879 38.000 0.032 0.000 1.064 373 I HN 0.260 nan 8.210 nan 0.000 0.414 374 D N 0.853 121.286 120.400 0.055 0.000 2.144 374 D HA -0.152 4.488 4.640 0.000 0.000 0.199 374 D C 2.362 178.713 176.300 0.085 0.000 0.984 374 D CA 1.712 55.748 54.000 0.060 0.000 0.834 374 D CB -0.170 40.657 40.800 0.044 0.000 0.955 374 D HN 0.353 nan 8.370 nan 0.000 0.465 375 S N 0.129 115.889 115.700 0.100 0.000 2.419 375 S HA -0.121 4.349 4.470 0.000 0.000 0.233 375 S C 2.144 176.887 174.600 0.238 0.000 1.016 375 S CA 0.772 59.063 58.200 0.151 0.000 0.974 375 S CB -0.489 62.791 63.200 0.133 0.000 0.786 375 S HN 0.086 nan 8.310 nan 0.000 0.492 376 V N 2.882 122.918 119.914 0.202 0.000 2.469 376 V HA -0.167 3.953 4.120 0.000 0.000 0.251 376 V C 2.192 178.405 176.094 0.199 0.000 1.064 376 V CA 2.170 64.616 62.300 0.243 0.000 1.066 376 V CB -0.847 31.025 31.823 0.083 0.000 0.667 376 V HN 0.848 nan 8.190 nan 0.000 0.461 377 K N 0.028 120.512 120.400 0.142 0.000 2.514 377 K HA 0.181 4.501 4.320 0.000 0.000 0.207 377 K C 1.457 178.122 176.600 0.109 0.000 1.035 377 K CA 0.649 57.006 56.287 0.117 0.000 1.113 377 K CB 0.279 32.832 32.500 0.089 0.000 0.846 377 K HN 0.405 nan 8.250 nan 0.000 0.491 378 S N -0.263 115.519 115.700 0.138 0.000 2.447 378 S HA -0.085 4.385 4.470 0.000 0.000 0.233 378 S C 0.393 175.025 174.600 0.054 0.000 1.006 378 S CA 0.562 58.814 58.200 0.086 0.000 0.957 378 S CB -0.301 62.939 63.200 0.066 0.000 0.773 378 S HN 0.312 nan 8.310 nan 0.000 0.507 382 I N 2.398 122.954 120.570 -0.024 0.000 2.389 382 I HA 0.601 4.771 4.170 0.000 0.000 0.288 382 I C 0.015 176.107 176.117 -0.043 0.000 0.999 382 I CA -0.567 60.694 61.300 -0.064 0.000 1.129 382 I CB 1.744 39.743 38.000 -0.003 0.000 1.288 382 I HN 0.325 nan 8.210 nan 0.000 0.444 383 R N 3.851 124.298 120.500 -0.090 0.000 2.514 383 R HA 0.793 5.133 4.340 0.000 0.000 0.301 383 R C 0.279 176.599 176.300 0.033 0.000 0.962 383 R CA 0.419 56.503 56.100 -0.028 0.000 0.882 383 R CB 1.631 31.908 30.300 -0.039 0.000 1.143 383 R HN 0.844 nan 8.270 nan 0.000 0.452 384 G N 1.387 110.239 108.800 0.087 0.000 2.598 384 G HA2 -0.266 3.694 3.960 0.000 0.000 0.244 384 G HA3 -0.266 3.694 3.960 0.000 0.000 0.244 384 G C -0.927 174.115 174.900 0.237 0.000 1.302 384 G CA -0.175 45.013 45.100 0.147 0.000 0.903 384 G HN 0.824 nan 8.290 nan 0.000 0.575 385 T N -0.955 113.728 114.554 0.215 0.000 2.876 385 T HA 0.693 5.043 4.350 0.000 0.000 0.289 385 T C -2.945 171.638 174.700 -0.195 0.000 1.014 385 T CA -1.337 60.810 62.100 0.079 0.000 0.986 385 T CB 2.442 71.318 68.868 0.013 0.000 1.021 385 T HN 0.546 nan 8.240 nan 0.000 0.458 386 P HA 0.312 nan 4.420 nan 0.000 0.265 386 P C 1.204 178.233 177.300 -0.451 0.000 1.187 386 P CA 1.321 63.790 63.100 -1.051 0.000 0.766 386 P CB 0.237 31.532 31.700 -0.675 0.000 0.820 387 G N 1.429 110.015 108.800 -0.357 0.000 2.376 387 G HA2 -0.175 3.785 3.960 0.000 0.000 0.208 387 G HA3 -0.175 3.785 3.960 0.000 0.000 0.208 387 G C 0.145 175.007 174.900 -0.064 0.000 1.032 387 G CA -0.326 44.684 45.100 -0.150 0.000 0.641 387 G HN 0.536 nan 8.290 nan 0.000 0.503 388 E N -0.196 119.983 120.200 -0.035 0.000 2.376 388 E HA 0.580 4.930 4.350 0.000 0.000 0.254 388 E C 0.960 177.598 176.600 0.064 0.000 1.213 388 E CA -0.708 55.706 56.400 0.024 0.000 0.945 388 E CB 0.692 30.417 29.700 0.043 0.000 1.057 388 E HN 0.058 nan 8.360 nan 0.000 0.479 389 L N 0.740 121.995 121.223 0.053 0.000 2.558 389 L HA -0.014 4.326 4.340 0.000 0.000 0.225 389 L C 1.993 178.901 176.870 0.063 0.000 1.128 389 L CA 1.298 56.171 54.840 0.054 0.000 0.868 389 L CB -0.636 41.441 42.059 0.031 0.000 1.006 389 L HN 0.592 nan 8.230 nan 0.000 0.454 390 T N -1.766 112.832 114.554 0.074 0.000 3.014 390 T HA -0.138 4.213 4.350 0.000 0.000 0.263 390 T C 0.543 175.301 174.700 0.097 0.000 1.078 390 T CA -0.120 62.021 62.100 0.068 0.000 1.135 390 T CB -0.248 68.653 68.868 0.055 0.000 0.895 390 T HN 0.122 nan 8.240 nan 0.000 0.480 391 Y N 2.911 123.210 120.300 -0.001 0.000 2.865 391 Y HA 0.289 4.839 4.550 0.000 0.000 0.338 391 Y C 0.194 176.094 175.900 0.001 0.000 1.269 391 Y CA -0.121 57.979 58.100 0.000 0.000 1.585 391 Y CB -0.019 38.439 38.460 -0.002 0.000 1.224 391 Y HN 0.042 nan 8.280 nan 0.000 0.554 392 S N 5.408 120.844 115.700 -0.441 0.000 2.557 392 S HA 0.724 5.194 4.470 0.000 0.000 0.291 392 S C -1.828 172.492 174.600 -0.468 0.000 1.116 392 S CA -0.747 57.235 58.200 -0.362 0.000 0.992 392 S CB 0.880 63.984 63.200 -0.160 0.000 1.028 392 S HN 0.471 nan 8.310 nan 0.000 0.484 393 V N 4.881 124.586 119.914 -0.347 0.000 2.376 393 V HA 0.666 4.786 4.120 0.000 0.000 0.287 393 V C 0.186 176.249 176.094 -0.052 0.000 1.015 393 V CA -0.450 61.729 62.300 -0.202 0.000 0.834 393 V CB 1.142 32.870 31.823 -0.158 0.000 1.001 393 V HN 1.029 nan 8.190 nan 0.000 0.428 394 T N 1.894 116.443 114.554 -0.008 0.000 2.901 394 T HA 0.883 5.233 4.350 0.000 0.000 0.293 394 T C -0.956 173.827 174.700 0.139 0.000 1.084 394 T CA -0.774 61.344 62.100 0.030 0.000 1.008 394 T CB 2.339 71.173 68.868 -0.056 0.000 1.170 394 T HN 0.751 nan 8.240 nan 0.000 0.509 395 Y N -1.833 118.459 120.300 -0.013 0.000 2.597 395 Y HA 0.733 5.283 4.550 0.000 0.000 0.340 395 Y C -0.852 175.042 175.900 -0.010 0.000 1.097 395 Y CA -1.277 56.818 58.100 -0.008 0.000 1.037 395 Y CB 0.980 39.443 38.460 0.005 0.000 1.305 395 Y HN 0.655 nan 8.280 nan 0.000 0.463 396 T N 4.195 118.743 114.554 -0.009 0.000 2.728 396 T HA 0.378 4.728 4.350 0.000 0.000 0.296 396 T C -2.732 171.981 174.700 0.023 0.000 0.940 396 T CA -1.321 60.725 62.100 -0.089 0.000 1.013 396 T CB 0.707 69.557 68.868 -0.029 0.000 0.912 396 T HN 0.367 nan 8.240 nan 0.000 0.484 397 P HA 0.254 nan 4.420 nan 0.000 0.268 397 P C 1.145 178.486 177.300 0.067 0.000 1.205 397 P CA 0.471 63.631 63.100 0.099 0.000 0.771 397 P CB 0.384 32.095 31.700 0.019 0.000 0.858 398 G N 1.738 110.589 108.800 0.084 0.000 2.196 398 G HA2 -0.269 3.691 3.960 0.000 0.000 0.268 398 G HA3 -0.269 3.691 3.960 0.000 0.000 0.268 398 G C 0.497 175.409 174.900 0.020 0.000 0.975 398 G CA 0.127 45.252 45.100 0.042 0.000 0.648 398 G HN 0.874 nan 8.290 nan 0.000 0.538 399 A N 0.461 123.296 122.820 0.025 0.000 2.524 399 A HA 0.603 4.923 4.320 0.000 0.000 0.250 399 A C 1.668 179.243 177.584 -0.015 0.000 1.078 399 A CA 1.172 53.212 52.037 0.005 0.000 0.761 399 A CB 0.211 19.219 19.000 0.014 0.000 1.012 399 A HN 1.166 nan 8.150 nan 0.000 0.500 400 S N 1.861 117.549 115.700 -0.020 0.000 2.399 400 S HA -0.161 4.309 4.470 0.000 0.000 0.231 400 S C 1.683 176.254 174.600 -0.049 0.000 1.022 400 S CA 1.834 60.016 58.200 -0.031 0.000 0.983 400 S CB -0.521 62.664 63.200 -0.025 0.000 0.803 400 S HN 1.043 nan 8.310 nan 0.000 0.480 401 T N -0.085 114.441 114.554 -0.046 0.000 3.194 401 T HA 0.145 4.495 4.350 0.000 0.000 0.251 401 T C 0.317 174.964 174.700 -0.088 0.000 1.132 401 T CA -0.326 61.737 62.100 -0.061 0.000 1.028 401 T CB -0.416 68.425 68.868 -0.044 0.000 0.976 401 T HN 0.057 nan 8.240 nan 0.000 0.535 402 N N 2.018 120.662 118.700 -0.093 0.000 2.497 402 N HA 0.272 5.012 4.740 0.000 0.000 0.268 402 N C 0.766 176.121 175.510 -0.259 0.000 1.171 402 N CA -0.199 52.766 53.050 -0.142 0.000 0.948 402 N CB 1.477 39.905 38.487 -0.098 0.000 1.069 402 N HN 0.097 nan 8.380 nan 0.000 0.460 403 K N 0.932 121.080 120.400 -0.420 0.000 2.365 403 K HA 0.089 4.409 4.320 0.000 0.000 0.197 403 K C -0.132 175.869 176.600 -0.999 0.000 1.042 403 K CA 0.935 56.801 56.287 -0.702 0.000 0.987 403 K CB 0.123 32.098 32.500 -0.875 0.000 0.779 403 K HN 0.558 nan 8.250 nan 0.000 0.484 404 H N -0.843 117.904 119.070 -0.539 0.000 2.747 404 H HA 0.327 4.883 4.556 0.000 0.000 0.371 404 H C -2.470 172.529 175.328 -0.549 0.000 1.161 404 H CA -2.655 52.907 56.048 -0.810 0.000 1.167 404 H CB 1.411 30.263 29.762 -1.517 0.000 1.732 404 H HN -0.123 nan 8.280 nan 0.000 0.544 405 P HA 0.056 nan 4.420 nan 0.000 0.276 405 P C 0.281 177.363 177.300 -0.364 0.000 1.252 405 P CA -0.336 62.574 63.100 -0.315 0.000 0.802 405 P CB 1.483 33.024 31.700 -0.266 0.000 1.035 406 D N 0.456 120.779 120.400 -0.127 0.000 2.104 406 D HA -0.160 4.480 4.640 0.000 0.000 0.194 406 D C 1.999 178.298 176.300 -0.003 0.000 0.994 406 D CA 1.421 55.420 54.000 -0.003 0.000 0.830 406 D CB -0.646 40.266 40.800 0.187 0.000 0.959 406 D HN 0.617 nan 8.370 nan 0.000 0.452 407 W N 0.811 122.177 121.300 0.110 0.000 2.321 407 W HA -0.208 4.452 4.660 0.000 0.000 0.306 407 W C 2.024 178.612 176.519 0.114 0.000 1.217 407 W CA 0.499 57.906 57.345 0.102 0.000 1.257 407 W CB -1.467 28.048 29.460 0.091 0.000 1.145 407 W HN 0.099 nan 8.180 nan 0.000 0.509 408 W N 3.557 124.374 121.300 -0.804 0.000 2.378 408 W HA -0.185 4.475 4.660 0.000 0.000 0.313 408 W C 2.008 178.255 176.519 -0.454 0.000 1.197 408 W CA 1.896 58.783 57.345 -0.763 0.000 1.304 408 W CB -1.120 27.671 29.460 -1.115 0.000 1.148 408 W HN -0.094 nan 8.180 nan 0.000 0.494 409 N N 0.986 119.619 118.700 -0.111 0.000 2.104 409 N HA -0.227 4.513 4.740 0.000 0.000 0.190 409 N C 1.529 176.784 175.510 -0.426 0.000 1.024 409 N CA 2.139 54.914 53.050 -0.460 0.000 0.853 409 N CB -0.757 36.998 38.487 -1.220 0.000 1.008 409 N HN 0.274 nan 8.380 nan 0.000 0.424 410 E N 1.420 121.501 120.200 -0.199 0.000 2.051 410 E HA -0.090 4.261 4.350 0.000 0.000 0.192 410 E C 1.684 178.333 176.600 0.081 0.000 0.991 410 E CA 1.330 57.787 56.400 0.096 0.000 0.799 410 E CB 0.016 29.838 29.700 0.203 0.000 0.748 410 E HN 0.249 nan 8.360 nan 0.000 0.449 411 K N -0.499 119.940 120.400 0.064 0.000 2.074 411 K HA -0.143 4.177 4.320 0.000 0.000 0.209 411 K C 2.093 178.693 176.600 -0.001 0.000 1.048 411 K CA 1.585 57.895 56.287 0.038 0.000 0.926 411 K CB -0.192 32.321 32.500 0.021 0.000 0.713 411 K HN 0.041 nan 8.250 nan 0.000 0.444 412 V N 1.533 121.412 119.914 -0.058 0.000 2.358 412 V HA -0.235 3.885 4.120 0.000 0.000 0.246 412 V C 2.319 178.445 176.094 0.054 0.000 1.047 412 V CA 1.560 63.840 62.300 -0.033 0.000 1.035 412 V CB -0.398 31.393 31.823 -0.053 0.000 0.658 412 V HN 0.328 nan 8.190 nan 0.000 0.452 413 K N 0.435 120.869 120.400 0.057 0.000 2.001 413 K HA -0.256 4.064 4.320 0.000 0.000 0.214 413 K C 2.091 178.745 176.600 0.090 0.000 1.050 413 K CA 2.105 58.453 56.287 0.102 0.000 0.934 413 K CB -0.259 32.361 32.500 0.199 0.000 0.718 413 K HN 0.434 nan 8.250 nan 0.000 0.443 414 N N 0.404 119.164 118.700 0.099 0.000 2.120 414 N HA -0.161 4.579 4.740 0.000 0.000 0.188 414 N C 1.025 176.591 175.510 0.092 0.000 1.024 414 N CA 0.926 54.029 53.050 0.088 0.000 0.852 414 N CB -0.714 37.831 38.487 0.096 0.000 1.003 414 N HN 0.389 nan 8.380 nan 0.000 0.424 419 H N 0.988 119.961 119.070 -0.160 0.000 2.379 419 H HA 0.278 4.834 4.556 0.000 0.000 0.229 419 H C -0.055 175.174 175.328 -0.166 0.000 1.423 419 H CA -0.019 55.934 56.048 -0.159 0.000 1.375 419 H CB 0.740 30.327 29.762 -0.292 0.000 1.592 419 H HN 0.239 nan 8.280 nan 0.000 0.507 420 Q N 0.573 120.348 119.800 -0.042 0.000 2.369 420 Q HA -0.108 4.232 4.340 0.000 0.000 0.206 420 Q C 1.733 177.687 176.000 -0.078 0.000 0.963 420 Q CA 0.843 56.591 55.803 -0.091 0.000 0.894 420 Q CB 0.448 29.104 28.738 -0.137 0.000 0.965 420 Q HN 0.475 nan 8.270 nan 0.000 0.475 421 E N 0.971 121.172 120.200 0.002 0.000 2.427 421 E HA -0.102 4.248 4.350 0.000 0.000 0.196 421 E C -0.318 176.317 176.600 0.057 0.000 1.028 421 E CA 0.568 56.983 56.400 0.025 0.000 0.864 421 E CB -0.115 29.618 29.700 0.055 0.000 0.813 421 E HN 0.167 nan 8.360 nan 0.000 0.514 422 D N 1.702 122.149 120.400 0.078 0.000 2.198 422 D HA 0.155 4.795 4.640 0.000 0.000 0.245 422 D C -1.596 174.749 176.300 0.075 0.000 1.079 422 D CA -2.048 52.025 54.000 0.121 0.000 0.854 422 D CB 1.589 42.496 40.800 0.179 0.000 1.148 422 D HN -0.173 nan 8.370 nan 0.000 0.456 423 P HA 0.119 nan 4.420 nan 0.000 0.255 423 P C -0.240 177.106 177.300 0.078 0.000 1.248 423 P CA 0.137 63.276 63.100 0.065 0.000 0.807 423 P CB 0.402 32.135 31.700 0.054 0.000 1.150 424 L N 2.043 123.330 121.223 0.106 0.000 2.325 424 L HA 0.354 4.694 4.340 0.000 0.000 0.278 424 L C -1.321 175.609 176.870 0.101 0.000 1.023 424 L CA -2.249 52.637 54.840 0.077 0.000 0.811 424 L CB 2.257 44.340 42.059 0.041 0.000 1.249 424 L HN -0.278 nan 8.230 nan 0.000 0.431 425 P HA 0.044 nan 4.420 nan 0.000 0.245 425 P C 0.193 177.412 177.300 -0.135 0.000 1.212 425 P CA 0.619 63.747 63.100 0.047 0.000 0.774 425 P CB 0.209 31.928 31.700 0.032 0.000 0.999 426 I N 2.144 122.553 120.570 -0.268 0.000 2.371 426 I HA 0.223 4.393 4.170 0.000 0.000 0.290 426 I C -2.146 173.495 176.117 -0.793 0.000 1.028 426 I CA -2.832 58.223 61.300 -0.409 0.000 1.345 426 I CB 0.674 38.521 38.000 -0.255 0.000 1.407 426 I HN -0.262 nan 8.210 nan 0.000 0.501 427 P HA -0.012 nan 4.420 nan 0.000 0.266 427 P C 0.344 177.376 177.300 -0.446 0.000 1.195 427 P CA 0.030 62.679 63.100 -0.751 0.000 0.768 427 P CB 0.311 31.847 31.700 -0.274 0.000 0.838 428 F N 0.834 120.632 119.950 -0.255 0.000 2.202 428 F HA -0.128 4.399 4.527 0.000 0.000 0.301 428 F C 1.800 177.557 175.800 -0.071 0.000 1.082 428 F CA 1.477 59.398 58.000 -0.132 0.000 1.313 428 F CB -1.035 37.902 39.000 -0.105 0.000 1.024 428 F HN 0.424 nan 8.300 nan 0.000 0.495 429 E N -0.462 119.810 120.200 0.119 0.000 2.465 429 E HA -0.037 4.313 4.350 0.000 0.000 0.191 429 E C -0.096 176.527 176.600 0.038 0.000 1.053 429 E CA -0.164 56.285 56.400 0.082 0.000 0.869 429 E CB -0.177 29.567 29.700 0.074 0.000 0.977 429 E HN 0.245 nan 8.360 nan 0.000 0.483 430 D N 1.954 122.359 120.400 0.007 0.000 2.371 430 D HA 0.052 4.692 4.640 0.000 0.000 0.256 430 D C -2.358 173.970 176.300 0.047 0.000 1.193 430 D CA -1.969 52.025 54.000 -0.009 0.000 0.881 430 D CB 0.856 41.610 40.800 -0.076 0.000 1.143 430 D HN -0.188 nan 8.370 nan 0.000 0.473 431 P HA 0.019 nan 4.420 nan 0.000 0.268 431 P C -0.520 176.923 177.300 0.239 0.000 1.208 431 P CA -0.172 63.035 63.100 0.178 0.000 0.777 431 P CB 0.370 32.152 31.700 0.135 0.000 0.875 432 E N 3.040 123.412 120.200 0.287 0.000 2.390 432 E HA 0.146 4.496 4.350 0.000 0.000 0.261 432 E C -2.316 174.327 176.600 0.071 0.000 1.076 432 E CA -2.093 54.388 56.400 0.135 0.000 0.905 432 E CB -0.916 28.829 29.700 0.075 0.000 0.984 432 E HN 0.303 nan 8.360 nan 0.000 0.427 433 P HA -0.010 nan 4.420 nan 0.000 0.269 433 P C -0.412 176.895 177.300 0.012 0.000 1.209 433 P CA 0.187 63.349 63.100 0.103 0.000 0.776 433 P CB 0.459 32.167 31.700 0.015 0.000 0.876 434 Q N 1.345 121.263 119.800 0.196 0.000 3.394 434 Q HA 0.294 4.634 4.340 0.000 0.000 0.285 434 Q C -0.856 175.248 176.000 0.174 0.000 0.866 434 Q CA -0.396 55.416 55.803 0.015 0.000 0.844 434 Q CB 1.215 29.737 28.738 -0.361 0.000 1.472 434 Q HN 0.209 nan 8.270 nan 0.000 0.401 435 V N 0.678 120.627 119.914 0.059 0.000 2.547 435 V HA 0.705 4.825 4.120 0.000 0.000 0.299 435 V C 0.245 176.346 176.094 0.012 0.000 1.040 435 V CA -0.350 61.970 62.300 0.034 0.000 0.913 435 V CB 1.961 33.740 31.823 -0.073 0.000 0.992 435 V HN 0.454 nan 8.190 nan 0.000 0.449 436 T N 1.769 116.362 114.554 0.064 0.000 2.900 436 T HA 0.502 4.852 4.350 0.000 0.000 0.303 436 T C -0.897 173.764 174.700 -0.066 0.000 1.142 436 T CA -0.332 61.754 62.100 -0.022 0.000 1.007 436 T CB 1.891 70.726 68.868 -0.054 0.000 1.156 436 T HN 0.831 nan 8.240 nan 0.000 0.490 437 T N 4.516 118.891 114.554 -0.298 0.000 2.791 437 T HA 0.602 4.952 4.350 0.000 0.000 0.288 437 T C -0.083 174.479 174.700 -0.229 0.000 0.999 437 T CA -0.651 61.133 62.100 -0.528 0.000 0.952 437 T CB -0.081 68.027 68.868 -1.268 0.000 0.938 437 T HN 0.531 nan 8.240 nan 0.000 0.444 438 L N 4.511 125.675 121.223 -0.097 0.000 2.467 438 L HA 0.373 4.713 4.340 0.000 0.000 0.270 438 L C 0.848 177.720 176.870 0.002 0.000 1.205 438 L CA -0.870 53.994 54.840 0.040 0.000 0.828 438 L CB 0.212 42.291 42.059 0.034 0.000 1.101 438 L HN 0.665 nan 8.230 nan 0.000 0.479 439 F N 2.622 122.494 119.950 -0.130 0.000 2.604 439 F HA -0.114 4.413 4.527 0.000 0.000 0.390 439 F C 0.335 175.870 175.800 -0.442 0.000 1.053 439 F CA 0.581 58.407 58.000 -0.290 0.000 1.256 439 F CB 0.203 39.091 39.000 -0.186 0.000 0.996 439 F HN 0.436 nan 8.300 nan 0.000 0.564 440 Q N 6.611 125.804 119.800 -1.011 0.000 2.456 440 Q HA 0.247 4.587 4.340 0.000 0.000 0.284 440 Q C -1.954 173.501 176.000 -0.908 0.000 1.061 440 Q CA -1.825 53.505 55.803 -0.788 0.000 0.799 440 Q CB 1.418 29.653 28.738 -0.838 0.000 1.445 440 Q HN 0.272 nan 8.270 nan 0.000 0.411 441 P HA -0.222 nan 4.420 nan 0.000 0.216 441 P C 1.155 178.218 177.300 -0.396 0.000 1.154 441 P CA 2.214 65.105 63.100 -0.348 0.000 0.865 441 P CB 0.228 31.833 31.700 -0.159 0.000 0.789 442 S N -1.925 113.553 115.700 -0.370 0.000 2.527 442 S HA -0.081 4.389 4.470 0.000 0.000 0.222 442 S C 0.589 174.986 174.600 -0.338 0.000 0.985 442 S CA 0.130 58.187 58.200 -0.239 0.000 0.921 442 S CB -1.193 61.965 63.200 -0.071 0.000 0.772 442 S HN 0.440 nan 8.310 nan 0.000 0.529 443 H N -1.199 117.413 119.070 -0.764 0.000 2.490 443 H HA 0.485 5.041 4.556 0.000 0.000 0.230 443 H C -3.215 170.957 175.328 -1.927 0.000 1.417 443 H CA -1.863 53.348 56.048 -1.394 0.000 1.449 443 H CB 0.444 29.674 29.762 -0.886 0.000 1.649 443 H HN 0.061 nan 8.280 nan 0.000 0.519 444 P HA 0.077 nan 4.420 nan 0.000 0.226 444 P C -1.260 175.576 177.300 -0.774 0.000 1.783 444 P CA 0.233 62.300 63.100 -1.723 0.000 0.980 444 P CB -1.118 30.074 31.700 -0.846 0.000 1.967 445 W N -0.528 120.543 121.300 -0.382 0.000 3.213 445 W HA 0.513 5.173 4.660 0.000 0.000 0.318 445 W C -0.893 175.730 176.519 0.173 0.000 1.248 445 W CA -1.286 56.119 57.345 0.100 0.000 1.187 445 W CB 0.093 29.615 29.460 0.102 0.000 1.403 445 W HN -0.017 nan 8.180 nan 0.000 0.556 446 H N 1.215 120.544 119.070 0.433 0.000 2.511 446 H HA 0.672 5.228 4.556 0.000 0.000 0.346 446 H C -0.084 175.413 175.328 0.282 0.000 1.128 446 H CA 0.546 56.745 56.048 0.252 0.000 1.342 446 H CB 1.395 31.219 29.762 0.104 0.000 1.470 446 H HN 0.573 nan 8.280 nan 0.000 0.546 447 T N 2.157 116.378 114.554 -0.554 0.000 2.900 447 T HA 0.511 4.861 4.350 0.000 0.000 0.295 447 T C -0.780 173.631 174.700 -0.483 0.000 1.044 447 T CA -1.120 60.673 62.100 -0.511 0.000 0.995 447 T CB 1.697 70.141 68.868 -0.705 0.000 1.072 447 T HN 0.671 nan 8.240 nan 0.000 0.473 448 Q N 1.718 121.443 119.800 -0.125 0.000 2.274 448 Q HA 0.524 4.865 4.340 0.000 0.000 0.268 448 Q C -1.315 174.597 176.000 -0.147 0.000 1.015 448 Q CA -0.578 55.082 55.803 -0.239 0.000 0.775 448 Q CB 2.459 30.968 28.738 -0.381 0.000 1.256 448 Q HN 0.715 nan 8.270 nan 0.000 0.442 449 I N 3.676 124.123 120.570 -0.204 0.000 2.437 449 I HA 0.402 4.572 4.170 0.000 0.000 0.279 449 I C -0.326 175.720 176.117 -0.119 0.000 1.028 449 I CA -0.260 60.825 61.300 -0.358 0.000 1.142 449 I CB 0.452 38.075 38.000 -0.629 0.000 1.266 449 I HN 0.727 nan 8.210 nan 0.000 0.461 450 H N 3.760 122.683 119.070 -0.245 0.000 2.888 450 H HA 0.626 5.182 4.556 0.000 0.000 0.267 450 H C -1.240 174.039 175.328 -0.080 0.000 1.482 450 H CA -1.361 54.604 56.048 -0.138 0.000 1.165 450 H CB 1.318 31.023 29.762 -0.095 0.000 1.866 450 H HN 0.131 nan 8.280 nan 0.000 0.599 451 R N 1.444 121.764 120.500 -0.300 0.000 2.435 451 R HA 0.262 4.602 4.340 0.000 0.000 0.308 451 R C -1.470 174.631 176.300 -0.333 0.000 0.975 451 R CA -0.678 55.249 56.100 -0.287 0.000 0.867 451 R CB 1.372 31.629 30.300 -0.072 0.000 1.171 451 R HN 0.743 nan 8.270 nan 0.000 0.470 452 D N 1.415 121.592 120.400 -0.371 0.000 2.198 452 D HA 0.386 5.026 4.640 0.000 0.000 0.247 452 D C 0.887 177.260 176.300 0.121 0.000 1.010 452 D CA -0.409 53.493 54.000 -0.163 0.000 0.880 452 D CB 2.008 42.730 40.800 -0.131 0.000 1.209 452 D HN 0.435 nan 8.370 nan 0.000 0.451 453 A N 4.085 127.013 122.820 0.181 0.000 1.859 453 A HA -0.148 4.172 4.320 0.000 0.000 0.217 453 A C 1.235 179.057 177.584 0.395 0.000 1.198 453 A CA 0.749 52.981 52.037 0.325 0.000 0.629 453 A CB -1.033 18.157 19.000 0.316 0.000 0.830 453 A HN 0.661 nan 8.150 nan 0.000 0.446 454 F N 0.713 120.744 119.950 0.135 0.000 2.647 454 F HA 0.127 4.654 4.527 0.000 0.000 0.363 454 F C 1.336 177.144 175.800 0.014 0.000 1.130 454 F CA 1.508 59.535 58.000 0.046 0.000 1.351 454 F CB 0.201 39.192 39.000 -0.015 0.000 1.026 454 F HN 0.413 nan 8.300 nan 0.000 0.607 455 S N 3.464 118.869 115.700 -0.492 0.000 3.625 455 S HA -0.259 4.211 4.470 0.000 0.000 0.426 455 S C -0.979 173.528 174.600 -0.156 0.000 0.884 455 S CA 0.108 58.114 58.200 -0.324 0.000 1.322 455 S CB -1.580 61.461 63.200 -0.266 0.000 0.905 455 S HN 0.639 nan 8.310 nan 0.000 0.586 456 Y N 0.972 121.181 120.300 -0.150 0.000 2.341 456 Y HA 0.628 5.178 4.550 0.000 0.000 0.337 456 Y C 1.017 176.878 175.900 -0.065 0.000 1.014 456 Y CA 0.486 58.547 58.100 -0.064 0.000 1.111 456 Y CB 1.880 40.318 38.460 -0.037 0.000 1.194 456 Y HN 0.531 nan 8.280 nan 0.000 0.462 457 G N 0.474 109.311 108.800 0.061 0.000 2.644 457 G HA2 0.572 4.532 3.960 0.000 0.000 0.307 457 G HA3 0.572 4.532 3.960 0.000 0.000 0.307 457 G C -0.301 174.629 174.900 0.050 0.000 1.250 457 G CA -0.405 44.712 45.100 0.029 0.000 0.996 457 G HN 0.708 nan 8.290 nan 0.000 0.489 458 A N -1.284 121.553 122.820 0.028 0.000 2.419 458 A HA 0.438 4.758 4.320 0.000 0.000 0.233 458 A C 1.464 179.061 177.584 0.022 0.000 1.217 458 A CA 1.027 53.081 52.037 0.028 0.000 0.944 458 A CB 0.286 19.297 19.000 0.018 0.000 1.025 458 A HN 0.887 nan 8.150 nan 0.000 0.524 459 V N -0.894 119.030 119.914 0.017 0.000 3.484 459 V HA -0.036 4.084 4.120 0.000 0.000 0.252 459 V C 1.949 178.052 176.094 0.015 0.000 1.282 459 V CA 0.839 63.148 62.300 0.014 0.000 1.104 459 V CB -0.659 31.169 31.823 0.009 0.000 0.868 459 V HN 0.638 nan 8.190 nan 0.000 0.457 460 Q N 2.276 122.085 119.800 0.015 0.000 2.444 460 Q HA -0.104 4.236 4.340 0.000 0.000 0.206 460 Q C 1.682 177.694 176.000 0.020 0.000 0.948 460 Q CA 0.859 56.670 55.803 0.013 0.000 0.946 460 Q CB -0.407 28.335 28.738 0.006 0.000 1.027 460 Q HN 0.872 nan 8.270 nan 0.000 0.513 461 Q N 0.305 120.123 119.800 0.030 0.000 2.547 461 Q HA 0.053 4.394 4.340 0.000 0.000 0.217 461 Q C 1.335 177.357 176.000 0.036 0.000 0.978 461 Q CA 0.766 56.596 55.803 0.044 0.000 0.962 461 Q CB 0.071 28.846 28.738 0.062 0.000 0.990 461 Q HN 0.130 nan 8.270 nan 0.000 0.538 462 S N 0.123 115.839 115.700 0.028 0.000 2.428 462 S HA 0.050 4.520 4.470 0.000 0.000 0.230 462 S C 0.820 175.436 174.600 0.027 0.000 1.014 462 S CA -0.015 58.200 58.200 0.025 0.000 0.957 462 S CB 0.157 63.369 63.200 0.019 0.000 0.784 462 S HN 0.363 nan 8.310 nan 0.000 0.499 463 I N 2.896 123.483 120.570 0.027 0.000 2.441 463 I HA 0.207 4.377 4.170 0.000 0.000 0.287 463 I C 0.492 176.632 176.117 0.039 0.000 1.049 463 I CA -0.979 60.339 61.300 0.029 0.000 1.381 463 I CB 0.368 38.382 38.000 0.023 0.000 1.409 463 I HN 0.151 nan 8.210 nan 0.000 0.523 464 D N 4.185 124.611 120.400 0.045 0.000 2.531 464 D HA -0.079 4.561 4.640 0.000 0.000 0.239 464 D C 1.199 177.533 176.300 0.056 0.000 1.144 464 D CA 0.237 54.271 54.000 0.058 0.000 0.869 464 D CB 1.077 41.918 40.800 0.069 0.000 1.160 464 D HN 0.667 nan 8.370 nan 0.000 0.484 465 S N 4.132 119.872 115.700 0.068 0.000 2.474 465 S HA -0.136 4.334 4.470 0.000 0.000 0.235 465 S C 1.668 176.304 174.600 0.060 0.000 0.997 465 S CA 0.393 58.634 58.200 0.069 0.000 0.949 465 S CB 0.011 63.276 63.200 0.107 0.000 0.766 465 S HN 0.530 nan 8.310 nan 0.000 0.517 466 R N 0.746 121.282 120.500 0.060 0.000 2.200 466 R HA 0.120 4.460 4.340 0.000 0.000 0.234 466 R C 1.824 178.137 176.300 0.023 0.000 1.127 466 R CA 1.347 57.468 56.100 0.035 0.000 0.989 466 R CB -0.582 29.728 30.300 0.017 0.000 0.869 466 R HN 0.460 nan 8.270 nan 0.000 0.459 467 L N 0.282 121.523 121.223 0.031 0.000 2.418 467 L HA 0.097 4.437 4.340 0.000 0.000 0.218 467 L C 0.692 177.584 176.870 0.037 0.000 1.125 467 L CA 0.246 55.105 54.840 0.030 0.000 0.835 467 L CB 0.049 42.126 42.059 0.030 0.000 0.953 467 L HN 0.064 nan 8.230 nan 0.000 0.454 468 I N 0.239 120.828 120.570 0.032 0.000 2.353 468 I HA 0.249 4.419 4.170 0.000 0.000 0.293 468 I C -0.622 175.510 176.117 0.025 0.000 0.992 468 I CA -0.422 60.896 61.300 0.029 0.000 1.268 468 I CB 1.730 39.730 38.000 0.001 0.000 1.387 468 I HN -0.297 nan 8.210 nan 0.000 0.478 469 V N 4.785 124.734 119.914 0.059 0.000 2.638 469 V HA 0.317 4.437 4.120 0.000 0.000 0.306 469 V C -0.760 175.362 176.094 0.046 0.000 1.052 469 V CA -0.903 61.404 62.300 0.013 0.000 0.885 469 V CB 2.048 33.876 31.823 0.008 0.000 0.999 469 V HN 0.586 nan 8.190 nan 0.000 0.424 470 D N 2.545 122.922 120.400 -0.037 0.000 2.264 470 D HA 0.448 5.088 4.640 0.000 0.000 0.249 470 D C -0.961 175.344 176.300 0.007 0.000 1.070 470 D CA 0.081 54.122 54.000 0.069 0.000 0.912 470 D CB 1.275 42.153 40.800 0.131 0.000 1.193 470 D HN 0.456 nan 8.370 nan 0.000 0.427 471 W N 0.990 122.310 121.300 0.034 0.000 2.619 471 W HA 0.438 5.098 4.660 0.000 0.000 0.327 471 W C 0.176 176.781 176.519 0.143 0.000 1.027 471 W CA -0.848 56.559 57.345 0.105 0.000 1.233 471 W CB 1.298 30.717 29.460 -0.068 0.000 1.370 471 W HN -0.079 nan 8.180 nan 0.000 0.453 472 R N 2.906 123.661 120.500 0.425 0.000 2.483 472 R HA 0.496 4.836 4.340 0.000 0.000 0.303 472 R C -1.559 174.906 176.300 0.275 0.000 0.987 472 R CA -0.848 55.357 56.100 0.175 0.000 0.881 472 R CB 1.498 31.786 30.300 -0.020 0.000 1.177 472 R HN 0.173 nan 8.270 nan 0.000 0.451 473 F N 3.591 123.404 119.950 -0.229 0.000 2.444 473 F HA 0.477 5.004 4.527 0.000 0.000 0.342 473 F C -0.349 175.375 175.800 -0.127 0.000 1.121 473 F CA -1.469 56.494 58.000 -0.063 0.000 0.997 473 F CB 0.931 39.847 39.000 -0.140 0.000 1.130 473 F HN 0.281 nan 8.300 nan 0.000 0.454 474 F N 1.352 121.481 119.950 0.300 0.000 2.444 474 F HA 0.684 5.211 4.527 0.000 0.000 0.342 474 F C 0.656 176.642 175.800 0.309 0.000 1.121 474 F CA -1.434 56.733 58.000 0.277 0.000 0.997 474 F CB 1.187 40.390 39.000 0.339 0.000 1.130 474 F HN 0.522 nan 8.300 nan 0.000 0.454 475 G N 1.964 110.999 108.800 0.391 0.000 2.477 475 G HA2 0.604 4.564 3.960 0.000 0.000 0.304 475 G HA3 0.604 4.564 3.960 0.000 0.000 0.304 475 G C -0.640 174.431 174.900 0.286 0.000 1.175 475 G CA -1.116 44.200 45.100 0.360 0.000 0.907 475 G HN 0.726 nan 8.290 nan 0.000 0.509 476 R N -0.716 119.949 120.500 0.274 0.000 2.459 476 R HA 0.614 4.954 4.340 0.000 0.000 0.281 476 R C -0.886 175.496 176.300 0.136 0.000 1.050 476 R CA -0.511 55.663 56.100 0.125 0.000 1.055 476 R CB 0.898 31.270 30.300 0.119 0.000 1.045 476 R HN 0.263 nan 8.270 nan 0.000 0.495 477 T N 1.635 116.235 114.554 0.077 0.000 2.792 477 T HA 0.109 4.459 4.350 0.000 0.000 0.280 477 T C -0.699 174.073 174.700 0.119 0.000 0.990 477 T CA -0.682 61.520 62.100 0.169 0.000 0.960 477 T CB 1.321 70.356 68.868 0.279 0.000 0.939 477 T HN 0.677 nan 8.240 nan 0.000 0.439 478 E N 5.068 125.348 120.200 0.133 0.000 2.415 478 E HA 0.095 4.445 4.350 0.000 0.000 0.263 478 E C -2.122 174.563 176.600 0.141 0.000 0.995 478 E CA -1.547 54.924 56.400 0.119 0.000 0.915 478 E CB 0.510 30.274 29.700 0.106 0.000 0.951 478 E HN 0.192 nan 8.360 nan 0.000 0.449 479 P HA 0.109 nan 4.420 nan 0.000 0.276 479 P C -1.286 176.188 177.300 0.290 0.000 1.253 479 P CA -0.032 63.217 63.100 0.248 0.000 0.766 479 P CB 0.707 32.564 31.700 0.262 0.000 0.845 480 K N 2.671 123.182 120.400 0.185 0.000 2.378 480 K HA 0.186 4.506 4.320 0.000 0.000 0.252 480 K C 1.026 177.445 176.600 -0.303 0.000 0.931 480 K CA -0.768 55.533 56.287 0.024 0.000 0.794 480 K CB 2.193 34.670 32.500 -0.038 0.000 1.181 480 K HN 0.472 nan 8.250 nan 0.000 0.425 481 E N 2.290 122.130 120.200 -0.600 0.000 2.118 481 E HA -0.234 4.116 4.350 0.000 0.000 0.195 481 E C 1.010 177.344 176.600 -0.444 0.000 0.992 481 E CA 1.623 57.421 56.400 -1.003 0.000 0.804 481 E CB 0.453 29.799 29.700 -0.589 0.000 0.741 481 E HN 0.570 nan 8.360 nan 0.000 0.458 482 E N 0.465 120.516 120.200 -0.248 0.000 2.274 482 E HA -0.116 4.234 4.350 0.000 0.000 0.194 482 E C 0.064 176.607 176.600 -0.094 0.000 0.996 482 E CA 0.306 56.620 56.400 -0.143 0.000 0.840 482 E CB -0.373 29.261 29.700 -0.110 0.000 0.772 482 E HN 0.095 nan 8.360 nan 0.000 0.491 483 N N 2.131 120.772 118.700 -0.099 0.000 2.420 483 N HA 0.145 4.885 4.740 0.000 0.000 0.262 483 N C -0.714 174.862 175.510 0.110 0.000 1.144 483 N CA 0.315 53.371 53.050 0.011 0.000 0.952 483 N CB 0.988 39.486 38.487 0.018 0.000 1.081 483 N HN 0.137 nan 8.380 nan 0.000 0.480 484 K N 1.129 121.639 120.400 0.183 0.000 2.426 484 K HA 0.475 4.795 4.320 0.000 0.000 0.251 484 K C -1.072 175.653 176.600 0.209 0.000 0.941 484 K CA -0.887 55.514 56.287 0.192 0.000 0.808 484 K CB 2.284 34.904 32.500 0.199 0.000 1.265 484 K HN 0.209 nan 8.250 nan 0.000 0.432 485 L N 3.954 125.234 121.223 0.096 0.000 2.298 485 L HA 0.577 4.917 4.340 0.000 0.000 0.284 485 L C -1.288 175.412 176.870 -0.285 0.000 1.013 485 L CA -0.060 54.642 54.840 -0.230 0.000 0.824 485 L CB 0.471 42.403 42.059 -0.211 0.000 1.221 485 L HN 0.681 nan 8.230 nan 0.000 0.418 486 W N 3.483 124.405 121.300 -0.631 0.000 3.021 486 W HA 0.662 5.322 4.660 0.000 0.000 0.337 486 W C -2.114 173.816 176.519 -0.981 0.000 1.171 486 W CA -1.214 55.779 57.345 -0.588 0.000 1.060 486 W CB 0.842 30.176 29.460 -0.210 0.000 1.472 486 W HN 0.323 nan 8.180 nan 0.000 0.594 487 F N 1.335 121.460 119.950 0.292 0.000 2.529 487 F HA 0.335 4.862 4.527 0.000 0.000 0.320 487 F C 0.775 176.744 175.800 0.283 0.000 1.118 487 F CA -0.988 57.073 58.000 0.102 0.000 0.915 487 F CB 1.968 41.010 39.000 0.070 0.000 1.161 487 F HN 0.244 nan 8.300 nan 0.000 0.445 488 S N 1.084 116.953 115.700 0.281 0.000 2.560 488 S HA 0.023 4.493 4.470 0.000 0.000 0.284 488 S C 0.809 175.562 174.600 0.256 0.000 1.327 488 S CA -0.370 58.017 58.200 0.312 0.000 1.055 488 S CB 0.290 63.585 63.200 0.158 0.000 0.868 488 S HN 0.686 nan 8.310 nan 0.000 0.506 489 D N 3.149 123.681 120.400 0.221 0.000 2.340 489 D HA 0.113 4.753 4.640 0.000 0.000 0.220 489 D C 1.096 177.460 176.300 0.106 0.000 1.039 489 D CA 0.647 54.732 54.000 0.141 0.000 0.866 489 D CB 0.180 41.044 40.800 0.107 0.000 0.913 489 D HN 0.481 nan 8.370 nan 0.000 0.523 490 K N -0.777 119.692 120.400 0.115 0.000 2.353 490 K HA 0.255 4.575 4.320 0.000 0.000 0.206 490 K C 0.058 176.705 176.600 0.079 0.000 1.191 490 K CA -0.298 56.041 56.287 0.086 0.000 0.897 490 K CB 0.709 33.259 32.500 0.083 0.000 1.283 490 K HN -0.029 nan 8.250 nan 0.000 0.477 491 I N 2.345 122.967 120.570 0.086 0.000 2.474 491 I HA -0.004 4.166 4.170 0.000 0.000 0.287 491 I C 0.262 176.421 176.117 0.070 0.000 1.048 491 I CA 0.280 61.620 61.300 0.068 0.000 1.383 491 I CB 1.429 39.461 38.000 0.054 0.000 1.412 491 I HN 0.190 nan 8.210 nan 0.000 0.531 492 T N 1.327 115.917 114.554 0.060 0.000 2.918 492 T HA 0.602 4.953 4.350 0.000 0.000 0.286 492 T C -0.469 174.270 174.700 0.065 0.000 1.026 492 T CA -1.042 61.097 62.100 0.066 0.000 1.031 492 T CB 1.610 70.510 68.868 0.055 0.000 1.046 492 T HN 0.544 nan 8.240 nan 0.000 0.479 493 D N 0.967 121.421 120.400 0.090 0.000 2.447 493 D HA 0.398 5.038 4.640 0.000 0.000 0.265 493 D C 1.484 177.820 176.300 0.062 0.000 1.250 493 D CA -0.576 53.483 54.000 0.098 0.000 1.046 493 D CB 0.101 41.002 40.800 0.168 0.000 1.095 493 D HN 0.615 nan 8.370 nan 0.000 0.555 494 A N -1.175 121.655 122.820 0.017 0.000 2.172 494 A HA -0.103 4.217 4.320 0.000 0.000 0.216 494 A C 1.037 178.436 177.584 -0.309 0.000 1.154 494 A CA 0.755 52.699 52.037 -0.156 0.000 0.701 494 A CB -0.946 17.912 19.000 -0.237 0.000 0.789 494 A HN 0.546 nan 8.150 nan 0.000 0.465 495 Y N 0.607 120.931 120.300 0.041 0.000 2.625 495 Y HA 0.171 4.721 4.550 0.000 0.000 0.285 495 Y C 0.484 176.409 175.900 0.041 0.000 1.168 495 Y CA -0.796 57.331 58.100 0.044 0.000 1.250 495 Y CB -0.316 38.160 38.460 0.026 0.000 1.130 495 Y HN 0.280 nan 8.280 nan 0.000 0.526 499 Q N 4.193 124.103 119.800 0.182 0.000 2.271 499 Q HA 0.327 4.668 4.340 0.000 0.000 0.273 499 Q C -2.246 173.836 176.000 0.137 0.000 1.051 499 Q CA -1.151 54.734 55.803 0.136 0.000 0.901 499 Q CB 0.441 29.198 28.738 0.033 0.000 1.174 499 Q HN 0.110 nan 8.270 nan 0.000 0.385 500 P HA 0.014 nan 4.420 nan 0.000 0.264 500 P C -1.184 175.686 177.300 -0.717 0.000 1.183 500 P CA 0.272 63.127 63.100 -0.408 0.000 0.763 500 P CB 0.759 32.319 31.700 -0.234 0.000 0.807 501 T N 3.167 117.012 114.554 -1.180 0.000 2.971 501 T HA 0.477 4.827 4.350 0.000 0.000 0.304 501 T C -0.687 173.281 174.700 -1.220 0.000 1.038 501 T CA -0.261 61.123 62.100 -1.194 0.000 1.007 501 T CB 0.538 68.374 68.868 -1.720 0.000 1.055 501 T HN 0.033 nan 8.240 nan 0.000 0.451 502 F N 1.997 121.670 119.950 -0.463 0.000 2.404 502 F HA 0.449 4.976 4.527 0.000 0.000 0.339 502 F C 0.755 176.506 175.800 -0.082 0.000 1.105 502 F CA -0.594 57.264 58.000 -0.237 0.000 1.087 502 F CB 1.067 39.979 39.000 -0.147 0.000 1.143 502 F HN 0.409 nan 8.300 nan 0.000 0.491 503 D N 4.681 125.239 120.400 0.264 0.000 2.446 503 D HA 0.205 4.845 4.640 0.000 0.000 0.251 503 D C -1.704 174.728 176.300 0.221 0.000 1.137 503 D CA -0.100 54.045 54.000 0.241 0.000 0.890 503 D CB 0.613 41.572 40.800 0.266 0.000 1.071 503 D HN 0.335 nan 8.370 nan 0.000 0.528 504 F N 3.051 123.000 119.950 -0.002 0.000 2.569 504 F HA 0.601 5.128 4.527 0.000 0.000 0.312 504 F C -1.235 174.451 175.800 -0.190 0.000 1.109 504 F CA -0.806 57.124 58.000 -0.115 0.000 0.919 504 F CB 1.599 40.476 39.000 -0.205 0.000 1.211 504 F HN 0.115 nan 8.300 nan 0.000 0.446 505 R N 4.219 124.101 120.500 -1.030 0.000 2.673 505 R HA 0.510 4.850 4.340 0.000 0.000 0.281 505 R C -1.832 173.766 176.300 -1.169 0.000 0.991 505 R CA -0.752 54.874 56.100 -0.790 0.000 0.896 505 R CB 1.082 31.167 30.300 -0.358 0.000 1.201 505 R HN 0.577 nan 8.270 nan 0.000 0.457 506 F N 5.089 124.780 119.950 -0.431 0.000 2.557 506 F HA 0.206 4.733 4.527 0.000 0.000 0.384 506 F C -1.334 174.342 175.800 -0.207 0.000 1.057 506 F CA -0.930 56.933 58.000 -0.230 0.000 1.169 506 F CB 0.313 39.307 39.000 -0.010 0.000 1.070 506 F HN 0.333 nan 8.300 nan 0.000 0.554 507 P HA 0.033 nan 4.420 nan 0.000 0.265 507 P C -0.383 176.930 177.300 0.023 0.000 1.187 507 P CA -0.140 62.939 63.100 -0.035 0.000 0.766 507 P CB 0.512 32.211 31.700 -0.002 0.000 0.820 508 A N 2.779 125.599 122.820 0.000 0.000 2.409 508 A HA 0.519 4.839 4.320 0.000 0.000 0.246 508 A C 1.165 178.766 177.584 0.028 0.000 1.099 508 A CA 0.842 52.886 52.037 0.012 0.000 0.789 508 A CB -1.039 17.960 19.000 -0.001 0.000 1.053 508 A HN 0.849 nan 8.150 nan 0.000 0.503 509 G N -0.147 108.671 108.800 0.030 0.000 2.496 509 G HA2 -0.254 3.706 3.960 0.000 0.000 0.243 509 G HA3 -0.254 3.706 3.960 0.000 0.000 0.243 509 G C 1.033 175.966 174.900 0.055 0.000 1.176 509 G CA 0.758 45.882 45.100 0.039 0.000 0.940 509 G HN 1.053 nan 8.290 nan 0.000 0.573 510 R N -0.069 120.471 120.500 0.066 0.000 2.096 510 R HA -0.062 4.278 4.340 0.000 0.000 0.235 510 R C 2.768 179.130 176.300 0.104 0.000 1.127 510 R CA 2.583 58.733 56.100 0.084 0.000 0.968 510 R CB -0.882 29.469 30.300 0.085 0.000 0.861 510 R HN 0.617 nan 8.270 nan 0.000 0.440 511 T N 0.236 114.853 114.554 0.106 0.000 2.684 511 T HA -0.119 4.231 4.350 0.000 0.000 0.267 511 T C 1.908 176.667 174.700 0.098 0.000 1.036 511 T CA 1.904 64.082 62.100 0.129 0.000 1.148 511 T CB -0.175 68.787 68.868 0.156 0.000 0.863 511 T HN 0.301 nan 8.240 nan 0.000 0.436 512 S N 0.730 116.472 115.700 0.070 0.000 2.345 512 S HA -0.049 4.421 4.470 0.000 0.000 0.220 512 S C 2.031 176.647 174.600 0.026 0.000 1.031 512 S CA 0.893 59.107 58.200 0.023 0.000 0.996 512 S CB -0.252 62.955 63.200 0.013 0.000 0.882 512 S HN 0.410 nan 8.310 nan 0.000 0.445 513 K N 1.257 121.686 120.400 0.049 0.000 2.044 513 K HA -0.186 4.134 4.320 0.000 0.000 0.210 513 K C 1.969 178.627 176.600 0.096 0.000 1.049 513 K CA 1.595 57.920 56.287 0.062 0.000 0.927 513 K CB -0.215 32.327 32.500 0.069 0.000 0.713 513 K HN 0.414 nan 8.250 nan 0.000 0.443 514 E N -0.298 119.985 120.200 0.137 0.000 2.110 514 E HA -0.168 4.182 4.350 0.000 0.000 0.193 514 E C 1.951 178.633 176.600 0.136 0.000 0.988 514 E CA 0.934 57.471 56.400 0.227 0.000 0.804 514 E CB -0.091 29.782 29.700 0.288 0.000 0.745 514 E HN 0.416 nan 8.360 nan 0.000 0.458 515 A N 1.354 124.231 122.820 0.095 0.000 1.902 515 A HA -0.239 4.081 4.320 0.000 0.000 0.217 515 A C 2.066 179.716 177.584 0.110 0.000 1.181 515 A CA 1.718 53.808 52.037 0.088 0.000 0.623 515 A CB -0.342 18.695 19.000 0.062 0.000 0.818 515 A HN 0.108 nan 8.150 nan 0.000 0.443 516 E N 0.835 121.083 120.200 0.080 0.000 2.152 516 E HA -0.058 4.292 4.350 0.000 0.000 0.192 516 E C 0.248 176.832 176.600 -0.026 0.000 0.983 516 E CA 0.516 56.961 56.400 0.074 0.000 0.818 516 E CB -0.267 29.454 29.700 0.035 0.000 0.758 516 E HN 0.534 nan 8.360 nan 0.000 0.467 527 A N 2.452 125.022 122.820 -0.417 0.000 2.076 527 A HA 0.036 4.357 4.320 0.000 0.000 0.220 527 A C 1.929 179.409 177.584 -0.172 0.000 1.160 527 A CA 1.552 53.398 52.037 -0.319 0.000 0.653 527 A CB -0.686 18.151 19.000 -0.272 0.000 0.801 527 A HN 0.609 nan 8.150 nan 0.000 0.455 528 K N -0.720 119.627 120.400 -0.088 0.000 2.365 528 K HA 0.051 4.371 4.320 0.000 0.000 0.199 528 K C 1.120 177.733 176.600 0.020 0.000 1.045 528 K CA 0.711 56.988 56.287 -0.017 0.000 0.962 528 K CB -0.001 32.525 32.500 0.043 0.000 0.759 528 K HN 0.447 nan 8.250 nan 0.000 0.469 529 I N -0.562 120.041 120.570 0.056 0.000 3.445 529 I HA 0.137 4.307 4.170 0.000 0.000 0.288 529 I C 1.119 177.266 176.117 0.050 0.000 1.198 529 I CA 0.524 61.896 61.300 0.119 0.000 1.417 529 I CB 0.140 38.342 38.000 0.336 0.000 1.205 529 I HN 0.080 nan 8.210 nan 0.000 0.448 530 G N -0.412 108.369 108.800 -0.032 0.000 2.322 530 G HA2 0.436 4.396 3.960 0.000 0.000 0.295 530 G HA3 0.436 4.396 3.960 0.000 0.000 0.295 530 G C -0.748 174.018 174.900 -0.224 0.000 1.369 530 G CA -0.177 44.873 45.100 -0.083 0.000 0.821 530 G HN 0.263 nan 8.290 nan 0.000 0.536 531 G N -1.031 107.627 108.800 -0.236 0.000 2.507 531 G HA2 0.559 4.519 3.960 0.000 0.000 0.271 531 G HA3 0.559 4.519 3.960 0.000 0.000 0.271 531 G C -0.171 174.548 174.900 -0.302 0.000 1.189 531 G CA -0.512 44.354 45.100 -0.391 0.000 0.859 531 G HN 0.468 nan 8.290 nan 0.000 0.542 532 F N -0.476 119.381 119.950 -0.154 0.000 2.602 532 F HA 0.114 4.641 4.527 0.000 0.000 0.367 532 F C 0.765 176.500 175.800 -0.109 0.000 1.126 532 F CA -0.697 57.205 58.000 -0.163 0.000 1.321 532 F CB 0.447 39.342 39.000 -0.176 0.000 1.094 532 F HN 0.165 nan 8.300 nan 0.000 0.594 533 L N 6.396 127.683 121.223 0.108 0.000 2.315 533 L HA 0.408 4.748 4.340 0.000 0.000 0.283 533 L C -2.377 174.508 176.870 0.025 0.000 1.089 533 L CA -1.964 52.900 54.840 0.040 0.000 0.833 533 L CB 0.097 42.163 42.059 0.011 0.000 1.170 533 L HN 0.275 nan 8.230 nan 0.000 0.442 534 P HA 0.181 nan 4.420 nan 0.000 0.264 534 P C 0.674 177.972 177.300 -0.002 0.000 1.183 534 P CA 1.107 64.213 63.100 0.010 0.000 0.763 534 P CB 0.684 32.390 31.700 0.011 0.000 0.807 535 G N 2.173 110.966 108.800 -0.012 0.000 2.268 535 G HA2 -0.236 3.724 3.960 0.000 0.000 0.240 535 G HA3 -0.236 3.724 3.960 0.000 0.000 0.240 535 G C 0.413 175.312 174.900 -0.003 0.000 1.010 535 G CA 0.212 45.308 45.100 -0.006 0.000 0.618 535 G HN 0.529 nan 8.290 nan 0.000 0.516 536 S N 1.256 116.938 115.700 -0.031 0.000 2.272 536 S HA 0.581 5.051 4.470 0.000 0.000 0.207 536 S C 0.384 174.856 174.600 -0.214 0.000 1.336 536 S CA -0.546 57.615 58.200 -0.066 0.000 1.259 536 S CB 0.356 63.505 63.200 -0.084 0.000 1.130 536 S HN 0.492 nan 8.310 nan 0.000 0.444 537 L N 1.715 122.806 121.223 -0.220 0.000 2.466 537 L HA 0.384 4.724 4.340 0.000 0.000 0.257 537 L C -2.265 174.291 176.870 -0.524 0.000 1.189 537 L CA -2.390 52.196 54.840 -0.424 0.000 0.813 537 L CB -0.177 41.703 42.059 -0.299 0.000 1.118 537 L HN 0.074 nan 8.230 nan 0.000 0.471 538 P HA 0.028 nan 4.420 nan 0.000 0.264 538 P C -1.355 175.725 177.300 -0.367 0.000 1.193 538 P CA 0.060 62.776 63.100 -0.641 0.000 0.763 538 P CB 0.425 31.666 31.700 -0.766 0.000 0.810 539 Q N 1.501 121.133 119.800 -0.280 0.000 2.472 539 Q HA 0.462 4.802 4.340 0.000 0.000 0.281 539 Q C -1.256 174.643 176.000 -0.169 0.000 0.997 539 Q CA -0.810 54.917 55.803 -0.126 0.000 0.828 539 Q CB 0.665 29.388 28.738 -0.024 0.000 1.443 539 Q HN 0.121 nan 8.270 nan 0.000 0.390 543 P HA 0.198 nan 4.420 nan 0.000 0.263 543 P C 0.739 177.995 177.300 -0.074 0.000 1.195 543 P CA 1.148 64.317 63.100 0.116 0.000 0.762 543 P CB 0.573 32.328 31.700 0.091 0.000 0.799 544 G N 2.325 111.067 108.800 -0.096 0.000 2.232 544 G HA2 -0.288 3.672 3.960 0.000 0.000 0.226 544 G HA3 -0.288 3.672 3.960 0.000 0.000 0.226 544 G C 0.685 175.516 174.900 -0.115 0.000 0.996 544 G CA 0.120 45.105 45.100 -0.191 0.000 0.626 544 G HN 0.522 nan 8.290 nan 0.000 0.509 545 L N 1.391 122.567 121.223 -0.078 0.000 2.131 545 L HA 0.212 4.552 4.340 0.000 0.000 0.210 545 L C 2.808 179.579 176.870 -0.165 0.000 1.092 545 L CA 2.543 57.325 54.840 -0.097 0.000 0.759 545 L CB -0.414 41.609 42.059 -0.060 0.000 0.903 545 L HN 0.575 nan 8.230 nan 0.000 0.435 546 V N -0.111 119.726 119.914 -0.129 0.000 2.720 546 V HA -0.156 3.964 4.120 0.000 0.000 0.256 546 V C 1.586 177.509 176.094 -0.285 0.000 1.082 546 V CA 1.113 63.309 62.300 -0.174 0.000 1.101 546 V CB -0.365 31.438 31.823 -0.034 0.000 0.693 546 V HN 0.499 nan 8.190 nan 0.000 0.479 547 L N 0.076 121.212 121.223 -0.145 0.000 3.678 547 L HA -0.261 4.079 4.340 0.000 0.000 0.425 547 L C 0.372 177.289 176.870 0.079 0.000 1.240 547 L CA 0.988 55.803 54.840 -0.041 0.000 0.876 547 L CB -2.646 39.410 42.059 -0.003 0.000 1.766 547 L HN 0.581 nan 8.230 nan 0.000 0.917 548 H N -0.780 118.367 119.070 0.128 0.000 2.472 548 H HA 0.293 4.849 4.556 0.000 0.000 0.287 548 H C 0.615 176.055 175.328 0.186 0.000 1.112 548 H CA -1.136 55.030 56.048 0.196 0.000 1.021 548 H CB 0.622 30.547 29.762 0.271 0.000 1.635 548 H HN 0.225 nan 8.280 nan 0.000 0.559 549 L N 1.973 123.307 121.223 0.186 0.000 2.640 549 L HA 0.099 4.439 4.340 0.000 0.000 0.280 549 L C 0.622 177.608 176.870 0.193 0.000 1.229 549 L CA 0.948 55.854 54.840 0.110 0.000 0.919 549 L CB 0.111 42.197 42.059 0.045 0.000 1.168 549 L HN 0.318 nan 8.230 nan 0.000 0.496 550 G N 1.920 110.846 108.800 0.211 0.000 2.766 550 G HA2 0.559 4.519 3.960 0.000 0.000 0.288 550 G HA3 0.559 4.519 3.960 0.000 0.000 0.288 550 G C 0.331 175.330 174.900 0.166 0.000 1.408 550 G CA -0.273 44.969 45.100 0.237 0.000 0.852 550 G HN 1.343 nan 8.290 nan 0.000 0.487 551 G N -1.294 107.579 108.800 0.121 0.000 2.205 551 G HA2 -0.257 3.703 3.960 0.000 0.000 0.261 551 G HA3 -0.257 3.703 3.960 0.000 0.000 0.261 551 G C 1.605 176.567 174.900 0.104 0.000 0.980 551 G CA 1.660 46.837 45.100 0.129 0.000 0.632 551 G HN 2.022 nan 8.290 nan 0.000 0.533 552 T N -1.416 113.162 114.554 0.040 0.000 2.849 552 T HA -0.003 4.347 4.350 0.000 0.000 0.270 552 T C 1.077 175.849 174.700 0.120 0.000 1.066 552 T CA 2.096 64.245 62.100 0.081 0.000 1.130 552 T CB -0.405 68.520 68.868 0.095 0.000 0.864 552 T HN 1.635 nan 8.240 nan 0.000 0.481 553 H N -0.083 119.067 119.070 0.135 0.000 2.490 553 H HA 0.539 5.095 4.556 0.000 0.000 0.230 553 H C 0.012 175.393 175.328 0.090 0.000 1.417 553 H CA -1.333 54.775 56.048 0.100 0.000 1.449 553 H CB 0.048 29.838 29.762 0.046 0.000 1.649 553 H HN 0.411 nan 8.280 nan 0.000 0.519 557 F N 0.022 120.064 119.950 0.154 0.000 2.270 557 F HA 0.271 4.799 4.527 0.000 0.000 0.295 557 F C 1.185 177.113 175.800 0.213 0.000 1.087 557 F CA 1.195 59.291 58.000 0.158 0.000 1.365 557 F CB 0.624 39.675 39.000 0.086 0.000 1.056 557 F HN 0.295 nan 8.300 nan 0.000 0.506 558 D N -0.267 120.300 120.400 0.277 0.000 2.788 558 D HA 0.044 4.684 4.640 0.000 0.000 0.247 558 D C 0.550 176.705 176.300 -0.241 0.000 1.236 558 D CA -0.095 53.918 54.000 0.022 0.000 0.898 558 D CB 1.701 42.531 40.800 0.051 0.000 1.401 558 D HN 0.167 nan 8.370 nan 0.000 0.549 559 E N 2.963 122.698 120.200 -0.774 0.000 2.086 559 E HA -0.238 4.112 4.350 0.000 0.000 0.200 559 E C 1.062 177.491 176.600 -0.284 0.000 1.012 559 E CA 1.520 57.464 56.400 -0.761 0.000 0.812 559 E CB 0.410 29.511 29.700 -1.000 0.000 0.743 559 E HN 0.401 nan 8.360 nan 0.000 0.453 560 K N -0.390 119.892 120.400 -0.198 0.000 2.098 560 K HA -0.073 4.247 4.320 0.000 0.000 0.203 560 K C 2.164 178.734 176.600 -0.050 0.000 1.051 560 K CA 1.117 57.350 56.287 -0.089 0.000 0.957 560 K CB 0.087 32.549 32.500 -0.064 0.000 0.738 560 K HN -0.030 nan 8.250 nan 0.000 0.447 561 E N 0.896 121.069 120.200 -0.044 0.000 2.072 561 E HA -0.108 4.242 4.350 0.000 0.000 0.190 561 E C 0.991 177.590 176.600 -0.003 0.000 0.982 561 E CA 1.105 57.500 56.400 -0.008 0.000 0.803 561 E CB 0.126 29.832 29.700 0.009 0.000 0.755 561 E HN 0.191 nan 8.360 nan 0.000 0.453 562 D N -0.186 120.210 120.400 -0.008 0.000 2.339 562 D HA 0.041 4.681 4.640 0.000 0.000 0.217 562 D C -0.599 175.643 176.300 -0.096 0.000 1.050 562 D CA 0.059 54.052 54.000 -0.011 0.000 0.856 562 D CB -0.218 40.616 40.800 0.057 0.000 0.922 562 D HN 0.134 nan 8.370 nan 0.000 0.518 563 N N 0.372 119.011 118.700 -0.100 0.000 2.671 563 N HA -0.185 4.555 4.740 0.000 0.000 0.261 563 N C -0.309 175.128 175.510 -0.122 0.000 1.053 563 N CA 0.538 53.509 53.050 -0.131 0.000 0.732 563 N CB -1.373 36.945 38.487 -0.282 0.000 0.887 563 N HN 0.403 nan 8.380 nan 0.000 0.546 564 C N -3.148 116.144 119.300 -0.014 0.000 3.318 564 C HA 0.784 5.244 4.460 0.000 0.000 0.329 564 C C 1.302 176.429 174.990 0.229 0.000 1.449 564 C CA -0.570 58.506 59.018 0.096 0.000 1.397 564 C CB 1.529 29.345 27.740 0.126 0.000 1.810 564 C HN 0.505 nan 8.230 nan 0.000 0.449 565 C N 0.346 119.837 119.300 0.319 0.000 3.123 565 C HA 0.525 4.985 4.460 0.000 0.000 0.399 565 C C 0.539 175.729 174.990 0.333 0.000 1.320 565 C CA 0.573 59.804 59.018 0.354 0.000 1.949 565 C CB -0.413 27.460 27.740 0.221 0.000 2.692 565 C HN 0.992 nan 8.230 nan 0.000 0.623 566 V N 1.008 121.006 119.914 0.140 0.000 3.007 566 V HA 0.682 4.802 4.120 0.000 0.000 0.311 566 V C -0.835 175.017 176.094 -0.404 0.000 1.120 566 V CA -0.684 61.452 62.300 -0.274 0.000 0.980 566 V CB 1.503 33.249 31.823 -0.127 0.000 1.033 566 V HN 0.357 nan 8.190 nan 0.000 0.429 567 N N 1.185 119.441 118.700 -0.741 0.000 2.443 567 N HA 0.257 4.997 4.740 0.000 0.000 0.294 567 N C 1.103 176.442 175.510 -0.285 0.000 1.289 567 N CA 0.312 53.078 53.050 -0.472 0.000 0.966 567 N CB -0.253 37.925 38.487 -0.515 0.000 1.122 567 N HN 0.938 nan 8.380 nan 0.000 0.569 568 T N -4.737 109.657 114.554 -0.267 0.000 3.118 568 T HA 0.031 4.382 4.350 0.000 0.000 0.260 568 T C 0.218 174.803 174.700 -0.191 0.000 1.139 568 T CA 0.572 62.523 62.100 -0.248 0.000 1.085 568 T CB -0.362 68.339 68.868 -0.279 0.000 0.934 568 T HN 0.410 nan 8.240 nan 0.000 0.518 569 D N 1.205 121.482 120.400 -0.206 0.000 2.328 569 D HA 0.165 4.805 4.640 0.000 0.000 0.226 569 D C 0.684 176.992 176.300 0.015 0.000 1.066 569 D CA 0.188 54.102 54.000 -0.143 0.000 0.861 569 D CB 0.051 40.621 40.800 -0.383 0.000 0.912 569 D HN 0.341 nan 8.370 nan 0.000 0.521 570 S N 0.004 115.677 115.700 -0.045 0.000 3.270 570 S HA -0.255 4.215 4.470 0.000 0.000 0.293 570 S C 0.613 175.227 174.600 0.025 0.000 1.278 570 S CA 0.485 58.707 58.200 0.037 0.000 1.038 570 S CB -1.249 62.051 63.200 0.167 0.000 1.218 570 S HN 0.462 nan 8.310 nan 0.000 0.659 571 R N 1.347 121.757 120.500 -0.149 0.000 2.389 571 R HA 0.386 4.726 4.340 0.000 0.000 0.295 571 R C 0.020 176.047 176.300 -0.454 0.000 1.075 571 R CA -0.243 55.576 56.100 -0.468 0.000 1.005 571 R CB 0.552 30.533 30.300 -0.532 0.000 0.987 571 R HN 0.147 nan 8.270 nan 0.000 0.452 572 V N 6.135 125.817 119.914 -0.386 0.000 2.585 572 V HA -0.005 4.115 4.120 0.000 0.000 0.296 572 V C 0.288 176.350 176.094 -0.053 0.000 1.035 572 V CA 0.209 62.371 62.300 -0.229 0.000 1.084 572 V CB 0.028 31.684 31.823 -0.279 0.000 0.953 572 V HN 0.546 nan 8.190 nan 0.000 0.483 573 F N 3.602 123.607 119.950 0.093 0.000 2.607 573 F HA 0.416 4.943 4.527 0.000 0.000 0.374 573 F C 1.562 177.479 175.800 0.195 0.000 1.104 573 F CA 1.596 59.663 58.000 0.111 0.000 1.296 573 F CB 0.213 39.267 39.000 0.091 0.000 1.085 573 F HN 0.793 nan 8.300 nan 0.000 0.584 574 G N 2.281 111.245 108.800 0.274 0.000 2.253 574 G HA2 -0.307 3.653 3.960 0.000 0.000 0.251 574 G HA3 -0.307 3.653 3.960 0.000 0.000 0.251 574 G C -0.082 174.706 174.900 -0.187 0.000 0.998 574 G CA -0.384 44.726 45.100 0.018 0.000 0.621 574 G HN 0.455 nan 8.290 nan 0.000 0.524 575 F N 1.112 121.087 119.950 0.042 0.000 2.436 575 F HA 0.579 5.106 4.527 0.000 0.000 0.340 575 F C 1.468 177.251 175.800 -0.028 0.000 1.113 575 F CA -0.726 57.283 58.000 0.016 0.000 1.022 575 F CB 1.722 40.728 39.000 0.010 0.000 1.128 575 F HN -0.095 nan 8.300 nan 0.000 0.466 576 K N 1.123 121.650 120.400 0.212 0.000 2.062 576 K HA -0.091 4.229 4.320 0.000 0.000 0.205 576 K C 0.820 177.595 176.600 0.291 0.000 1.051 576 K CA 1.362 57.786 56.287 0.229 0.000 0.941 576 K CB -0.034 32.610 32.500 0.241 0.000 0.719 576 K HN 0.540 nan 8.250 nan 0.000 0.440 577 N N 0.593 119.457 118.700 0.274 0.000 2.351 577 N HA 0.069 4.809 4.740 0.000 0.000 0.254 577 N C -0.830 174.748 175.510 0.113 0.000 1.241 577 N CA -0.291 52.946 53.050 0.312 0.000 0.883 577 N CB 0.286 39.011 38.487 0.397 0.000 1.202 577 N HN 0.012 nan 8.380 nan 0.000 0.512 578 L N 0.304 121.372 121.223 -0.258 0.000 2.372 578 L HA 0.659 4.999 4.340 0.000 0.000 0.274 578 L C -1.873 174.657 176.870 -0.566 0.000 0.988 578 L CA -0.614 54.057 54.840 -0.280 0.000 0.833 578 L CB 0.868 42.738 42.059 -0.315 0.000 1.236 578 L HN -0.047 nan 8.230 nan 0.000 0.410 579 F N 4.941 124.809 119.950 -0.136 0.000 2.546 579 F HA 0.678 5.205 4.527 0.000 0.000 0.320 579 F C -0.501 175.159 175.800 -0.234 0.000 1.076 579 F CA -0.741 57.168 58.000 -0.151 0.000 0.928 579 F CB 1.860 40.798 39.000 -0.102 0.000 1.189 579 F HN 0.199 nan 8.300 nan 0.000 0.465 580 L N 1.975 123.177 121.223 -0.035 0.000 2.346 580 L HA 0.825 5.165 4.340 0.000 0.000 0.276 580 L C 0.095 176.997 176.870 0.054 0.000 1.006 580 L CA -0.769 53.986 54.840 -0.142 0.000 0.817 580 L CB 1.866 43.681 42.059 -0.407 0.000 1.272 580 L HN 0.786 nan 8.230 nan 0.000 0.421 581 G N 0.521 109.366 108.800 0.076 0.000 2.448 581 G HA2 0.795 4.755 3.960 0.000 0.000 0.324 581 G HA3 0.795 4.755 3.960 0.000 0.000 0.324 581 G C -0.426 174.596 174.900 0.202 0.000 1.203 581 G CA -0.256 44.983 45.100 0.232 0.000 0.954 581 G HN 0.955 nan 8.290 nan 0.000 0.480 582 G N -1.125 107.782 108.800 0.178 0.000 2.347 582 G HA2 0.051 4.011 3.960 0.000 0.000 0.341 582 G HA3 0.051 4.011 3.960 0.000 0.000 0.341 582 G C 0.759 175.711 174.900 0.086 0.000 1.287 582 G CA 0.041 45.220 45.100 0.132 0.000 0.984 582 G HN 1.106 nan 8.290 nan 0.000 0.526 583 C N 0.634 119.960 119.300 0.045 0.000 2.409 583 C HA 0.149 4.609 4.460 0.000 0.000 0.284 583 C C 3.023 177.994 174.990 -0.031 0.000 1.354 583 C CA 1.913 60.935 59.018 0.006 0.000 1.787 583 C CB -1.400 26.378 27.740 0.063 0.000 1.900 583 C HN 1.239 nan 8.230 nan 0.000 0.520 584 G N 1.241 109.951 108.800 -0.151 0.000 2.432 584 G HA2 -0.213 3.747 3.960 0.000 0.000 0.219 584 G HA3 -0.213 3.747 3.960 0.000 0.000 0.219 584 G C 1.422 175.998 174.900 -0.541 0.000 1.135 584 G CA 0.732 45.456 45.100 -0.626 0.000 0.767 584 G HN 0.569 nan 8.290 nan 0.000 0.550 585 N N 0.473 119.069 118.700 -0.173 0.000 2.309 585 N HA -0.010 4.730 4.740 0.000 0.000 0.182 585 N C 0.884 176.413 175.510 0.032 0.000 1.018 585 N CA 0.286 53.354 53.050 0.032 0.000 0.876 585 N CB 0.029 38.580 38.487 0.107 0.000 0.972 585 N HN 0.312 nan 8.380 nan 0.000 0.434 586 I N 2.597 123.187 120.570 0.032 0.000 2.471 586 I HA 0.043 4.213 4.170 0.000 0.000 0.286 586 I C -1.380 174.832 176.117 0.158 0.000 1.079 586 I CA -1.135 60.215 61.300 0.082 0.000 1.398 586 I CB 1.357 39.358 38.000 0.001 0.000 1.403 586 I HN -0.060 nan 8.210 nan 0.000 0.530 587 P HA 0.092 nan 4.420 nan 0.000 0.272 587 P C 0.136 177.522 177.300 0.143 0.000 1.276 587 P CA 0.189 63.361 63.100 0.120 0.000 0.871 587 P CB 0.309 32.045 31.700 0.060 0.000 1.313 588 T N -2.152 112.519 114.554 0.194 0.000 2.884 588 T HA 0.710 5.060 4.350 0.000 0.000 0.277 588 T C 0.138 174.942 174.700 0.172 0.000 0.976 588 T CA -0.907 61.289 62.100 0.160 0.000 0.956 588 T CB 1.005 69.949 68.868 0.127 0.000 1.113 588 T HN 0.039 nan 8.240 nan 0.000 0.554 589 A N 1.544 124.404 122.820 0.066 0.000 2.302 589 A HA 0.619 4.939 4.320 0.000 0.000 0.295 589 A C -0.713 176.797 177.584 -0.124 0.000 1.235 589 A CA -0.861 51.151 52.037 -0.041 0.000 0.876 589 A CB -0.832 18.180 19.000 0.020 0.000 1.133 589 A HN 0.858 nan 8.150 nan 0.000 0.533 590 Y N -0.301 119.885 120.300 -0.191 0.000 2.512 590 Y HA 0.708 5.258 4.550 0.000 0.000 0.348 590 Y C 0.750 176.475 175.900 -0.292 0.000 0.990 590 Y CA -0.673 57.120 58.100 -0.511 0.000 1.033 590 Y CB 1.420 39.350 38.460 -0.883 0.000 1.259 590 Y HN 0.397 nan 8.280 nan 0.000 0.461 591 G N 0.738 109.403 108.800 -0.224 0.000 2.608 591 G HA2 0.364 4.324 3.960 0.000 0.000 0.210 591 G HA3 0.364 4.324 3.960 0.000 0.000 0.210 591 G C 0.476 175.395 174.900 0.032 0.000 1.139 591 G CA 0.217 45.374 45.100 0.095 0.000 0.812 591 G HN 0.950 nan 8.290 nan 0.000 0.529 592 A N 0.766 123.442 122.820 -0.241 0.000 2.346 592 A HA 0.473 4.793 4.320 0.000 0.000 0.252 592 A C -0.040 177.380 177.584 -0.273 0.000 1.089 592 A CA -0.535 51.265 52.037 -0.395 0.000 0.797 592 A CB 0.039 18.852 19.000 -0.313 0.000 1.047 592 A HN 0.375 nan 8.150 nan 0.000 0.494 593 N N 1.818 120.220 118.700 -0.496 0.000 2.447 593 N HA 0.226 4.966 4.740 0.000 0.000 0.263 593 N C -2.107 173.282 175.510 -0.202 0.000 1.226 593 N CA -0.820 51.916 53.050 -0.525 0.000 0.906 593 N CB 0.360 38.662 38.487 -0.308 0.000 1.060 593 N HN 0.408 nan 8.380 nan 0.000 0.468 594 P HA 0.023 nan 4.420 nan 0.000 0.255 594 P C 0.343 177.521 177.300 -0.203 0.000 1.248 594 P CA 0.417 63.377 63.100 -0.234 0.000 0.807 594 P CB 0.335 31.853 31.700 -0.303 0.000 1.150 595 T N 0.900 115.427 114.554 -0.046 0.000 2.746 595 T HA -0.140 4.210 4.350 0.000 0.000 0.267 595 T C 1.726 176.479 174.700 0.089 0.000 1.039 595 T CA 1.012 63.146 62.100 0.057 0.000 1.142 595 T CB -0.723 68.242 68.868 0.161 0.000 0.866 595 T HN 0.032 nan 8.240 nan 0.000 0.444 596 L N 1.018 122.312 121.223 0.117 0.000 2.083 596 L HA -0.062 4.278 4.340 0.000 0.000 0.209 596 L C 2.517 179.418 176.870 0.051 0.000 1.083 596 L CA 1.733 56.675 54.840 0.170 0.000 0.752 596 L CB -1.028 41.141 42.059 0.184 0.000 0.899 596 L HN 0.177 nan 8.230 nan 0.000 0.433 597 T N 0.064 114.513 114.554 -0.176 0.000 2.821 597 T HA 0.058 4.408 4.350 0.000 0.000 0.267 597 T C 1.059 175.643 174.700 -0.193 0.000 1.046 597 T CA 0.705 62.599 62.100 -0.343 0.000 1.139 597 T CB -0.383 67.869 68.868 -1.027 0.000 0.871 597 T HN 0.506 nan 8.240 nan 0.000 0.454 601 L N 2.912 124.016 121.223 -0.199 0.000 2.109 601 L HA 0.290 4.630 4.340 0.000 0.000 0.207 601 L C 2.650 179.398 176.870 -0.204 0.000 1.086 601 L CA 2.151 56.872 54.840 -0.199 0.000 0.760 601 L CB -1.477 40.529 42.059 -0.087 0.000 0.910 601 L HN 0.460 nan 8.230 nan 0.000 0.437 602 A N -0.065 122.617 122.820 -0.230 0.000 1.865 602 A HA -0.221 4.099 4.320 0.000 0.000 0.217 602 A C 2.316 179.578 177.584 -0.536 0.000 1.191 602 A CA 1.928 53.692 52.037 -0.455 0.000 0.623 602 A CB -0.736 17.976 19.000 -0.480 0.000 0.826 602 A HN 0.368 nan 8.150 nan 0.000 0.444 603 I N -0.517 119.839 120.570 -0.357 0.000 2.151 603 I HA -0.342 3.828 4.170 0.000 0.000 0.243 603 I C 2.585 178.557 176.117 -0.241 0.000 1.080 603 I CA 2.144 63.285 61.300 -0.266 0.000 1.339 603 I CB -0.351 37.525 38.000 -0.207 0.000 1.039 603 I HN 0.402 nan 8.210 nan 0.000 0.409 604 K N 0.509 120.763 120.400 -0.244 0.000 2.063 604 K HA -0.233 4.087 4.320 0.000 0.000 0.208 604 K C 2.365 178.894 176.600 -0.119 0.000 1.048 604 K CA 1.884 58.053 56.287 -0.195 0.000 0.928 604 K CB -0.133 32.214 32.500 -0.254 0.000 0.713 604 K HN 0.153 nan 8.250 nan 0.000 0.442 605 S N -0.230 115.386 115.700 -0.140 0.000 2.368 605 S HA -0.148 4.322 4.470 0.000 0.000 0.224 605 S C 2.030 176.573 174.600 -0.096 0.000 1.029 605 S CA 1.356 59.529 58.200 -0.044 0.000 0.988 605 S CB -0.436 62.778 63.200 0.024 0.000 0.838 605 S HN 0.562 nan 8.310 nan 0.000 0.462 606 C N 1.318 120.479 119.300 -0.232 0.000 2.422 606 C HA 0.014 4.474 4.460 0.000 0.000 0.279 606 C C 2.540 177.460 174.990 -0.116 0.000 1.305 606 C CA 0.774 59.666 59.018 -0.211 0.000 1.757 606 C CB -1.452 26.129 27.740 -0.266 0.000 1.962 606 C HN 0.678 nan 8.230 nan 0.000 0.499 607 E N -0.713 119.442 120.200 -0.074 0.000 2.072 607 E HA -0.220 4.130 4.350 0.000 0.000 0.191 607 E C 1.847 178.455 176.600 0.014 0.000 0.985 607 E CA 1.253 57.636 56.400 -0.029 0.000 0.801 607 E CB -0.259 29.422 29.700 -0.032 0.000 0.750 607 E HN 0.795 nan 8.360 nan 0.000 0.452 608 Y N 0.953 121.222 120.300 -0.052 0.000 2.181 608 Y HA -0.209 4.341 4.550 0.000 0.000 0.288 608 Y C 1.829 177.761 175.900 0.053 0.000 1.146 608 Y CA 1.501 59.610 58.100 0.015 0.000 1.164 608 Y CB -0.117 38.386 38.460 0.072 0.000 0.982 608 Y HN -0.017 nan 8.280 nan 0.000 0.515 609 I N 0.225 120.744 120.570 -0.085 0.000 2.226 609 I HA -0.328 3.842 4.170 0.000 0.000 0.245 609 I C 2.253 178.367 176.117 -0.005 0.000 1.100 609 I CA 1.640 62.897 61.300 -0.072 0.000 1.374 609 I CB -0.397 37.398 38.000 -0.342 0.000 1.057 609 I HN 0.144 nan 8.210 nan 0.000 0.413 610 K N 0.344 120.719 120.400 -0.041 0.000 2.209 610 K HA -0.192 4.128 4.320 0.000 0.000 0.204 610 K C 1.960 178.583 176.600 0.039 0.000 1.048 610 K CA 1.114 57.455 56.287 0.089 0.000 0.940 610 K CB -0.133 32.420 32.500 0.089 0.000 0.729 610 K HN 0.400 nan 8.250 nan 0.000 0.451 611 Q N -0.041 119.703 119.800 -0.094 0.000 2.451 611 Q HA 0.064 4.404 4.340 0.000 0.000 0.206 611 Q C 0.859 176.721 176.000 -0.231 0.000 0.947 611 Q CA 0.528 56.246 55.803 -0.143 0.000 0.937 611 Q CB 0.441 29.079 28.738 -0.166 0.000 1.025 611 Q HN 0.269 nan 8.270 nan 0.000 0.511 612 N N -1.065 117.448 118.700 -0.312 0.000 2.159 612 N HA 0.155 4.895 4.740 0.000 0.000 0.217 612 N C -1.098 174.011 175.510 -0.669 0.000 1.223 612 N CA 0.247 52.958 53.050 -0.565 0.000 0.896 612 N CB 1.122 39.060 38.487 -0.915 0.000 1.064 612 N HN -0.002 nan 8.380 nan 0.000 0.518 613 F N 0.251 120.205 119.950 0.006 0.000 2.604 613 F HA 0.248 4.775 4.527 0.000 0.000 0.316 613 F C -0.262 175.657 175.800 0.198 0.000 1.136 613 F CA -0.647 57.413 58.000 0.100 0.000 0.989 613 F CB 1.748 40.801 39.000 0.088 0.000 1.258 613 F HN -0.356 nan 8.300 nan 0.000 0.451 614 T N 3.870 118.604 114.554 0.300 0.000 2.744 614 T HA 0.400 4.750 4.350 0.000 0.000 0.291 614 T C -2.477 172.258 174.700 0.059 0.000 0.957 614 T CA -1.309 60.870 62.100 0.132 0.000 1.002 614 T CB 0.977 69.886 68.868 0.068 0.000 0.919 614 T HN 0.129 nan 8.240 nan 0.000 0.468 615 P HA 0.051 nan 4.420 nan 0.000 0.264 615 P C 0.114 177.369 177.300 -0.075 0.000 1.183 615 P CA -0.074 62.832 63.100 -0.324 0.000 0.763 615 P CB 0.356 31.734 31.700 -0.537 0.000 0.807 616 S N 4.020 119.721 115.700 0.001 0.000 2.566 616 S HA 0.163 4.634 4.470 0.000 0.000 0.280 616 S C -2.175 172.434 174.600 0.016 0.000 1.343 616 S CA -0.971 57.241 58.200 0.020 0.000 1.036 616 S CB -0.541 62.679 63.200 0.033 0.000 0.866 616 S HN 0.208 nan 8.310 nan 0.000 0.526 617 P HA 0.237 nan 4.420 nan 0.000 0.276 617 P C -0.706 176.638 177.300 0.072 0.000 1.235 617 P CA -0.478 62.648 63.100 0.044 0.000 0.772 617 P CB 0.089 31.805 31.700 0.026 0.000 0.871 618 F N 4.105 124.041 119.950 -0.023 0.000 2.506 618 F HA 0.265 4.792 4.527 0.000 0.000 0.371 618 F C -0.063 175.732 175.800 -0.009 0.000 1.078 618 F CA 0.686 58.678 58.000 -0.013 0.000 1.195 618 F CB 0.235 39.226 39.000 -0.014 0.000 1.099 618 F HN 0.256 nan 8.300 nan 0.000 0.548 619 T N 0.000 114.229 114.554 -0.541 0.000 3.816 619 T HA 0.000 4.350 4.350 0.000 0.000 0.228 619 T CA 0.000 61.867 62.100 -0.388 0.000 1.349 619 T CB 0.000 68.763 68.868 -0.175 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658