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 2p2j_1_B DATA FIRST_RESID 5 DATA SEQUENCE HKHAIPANIA DRCLINPEQY ETKYKQSIND PDTFWGEQGK ILDWITPYQK DATA SEQUENCE VKNTSFAPGN VSIKWYEDGT LNLAANCLDR HLQENGDRTA IIWEGDDTSQ DATA SEQUENCE SKHISYRELH RDVCRFANTL LDLGIKKGDV VAIYMPMVPE AAVAMLACAR DATA SEQUENCE IGAVHSVIFG GFSPEAVAGR IIDSSSRLVI TADEGVRAGR SIPLKKNVDD DATA SEQUENCE ALKNPNVTSV EHVIVLKRTG SDIDWQEGRD LWWRDLIEKA SPEHQPEAMN DATA SEQUENCE AEDPLFILYT SGSTGKPKGV LHTTGGYLVY AATTFKYVFD YHPGDIYWCT DATA SEQUENCE ADVGWVTGHS YLLYGPLACG ATTLMFEGVP NWPTPARMCQ VVDKHQVNIL DATA SEQUENCE YTAPTAIRAL MAEGDKAIEG TDRSSLRILG SVGEPINPEA WEWYWKKIGK DATA SEQUENCE EKCPVVDTWW QTETGGFMIT PLPGAIELKA GSATRPFFGV QPALVDNEGH DATA SEQUENCE PQEGATEGNL VITDSWPGQA RTLFGDHERF EQTYFSTFKN MYFSGDGARR DATA SEQUENCE DEDGYYWITG RVDDVLNVSG HRLGTAEIES ALVAHPKIAE AAVVGIPHAI DATA SEQUENCE KGQAIYAYVT LNHGEEPSPE LYAEVRNWVR KEIGPLATPD VLHWTDSLPK DATA SEQUENCE TRSGAIMRRI LRKIAAGDXX XXXXXXXLAD PGVVEKLLEE KQA 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 5 H HA 0.000 nan 4.556 nan 0.000 0.296 5 H C 0.000 175.187 175.328 -0.234 0.000 0.993 5 H CA 0.000 55.937 56.048 -0.185 0.000 1.023 5 H CB 0.000 29.634 29.762 -0.214 0.000 1.292 6 K N 3.175 123.209 120.400 -0.609 0.000 2.130 6 K HA 0.280 4.601 4.320 0.001 0.000 0.268 6 K C -0.468 175.827 176.600 -0.509 0.000 0.983 6 K CA -0.905 55.120 56.287 -0.437 0.000 0.893 6 K CB 1.371 33.680 32.500 -0.319 0.000 1.066 6 K HN 0.361 nan 8.250 nan 0.000 0.450 7 H N 1.327 120.258 119.070 -0.230 0.000 2.782 7 H HA 0.152 4.708 4.556 0.001 0.000 0.285 7 H C 0.122 175.417 175.328 -0.056 0.000 1.093 7 H CA -0.324 55.637 56.048 -0.145 0.000 1.410 7 H CB 1.122 30.781 29.762 -0.172 0.000 1.439 7 H HN 0.722 nan 8.280 nan 0.000 0.469 8 A N 4.296 127.145 122.820 0.048 0.000 2.448 8 A HA 0.129 4.450 4.320 0.001 0.000 0.239 8 A C 0.594 178.251 177.584 0.122 0.000 1.080 8 A CA -0.392 51.680 52.037 0.058 0.000 0.779 8 A CB 0.020 19.044 19.000 0.040 0.000 1.026 8 A HN 0.737 nan 8.150 nan 0.000 0.499 9 I N 3.135 123.759 120.570 0.090 0.000 2.505 9 I HA 0.150 4.320 4.170 0.001 0.000 0.287 9 I C -1.493 174.684 176.117 0.100 0.000 1.104 9 I CA -1.083 60.275 61.300 0.096 0.000 1.387 9 I CB 0.413 38.453 38.000 0.066 0.000 1.404 9 I HN 0.502 nan 8.210 nan 0.000 0.528 10 P HA 0.078 nan 4.420 nan 0.000 0.272 10 P C 0.457 177.796 177.300 0.065 0.000 1.223 10 P CA -0.331 62.830 63.100 0.102 0.000 0.784 10 P CB 1.022 32.787 31.700 0.108 0.000 0.923 11 A N 3.337 126.188 122.820 0.052 0.000 1.892 11 A HA -0.253 4.067 4.320 0.001 0.000 0.218 11 A C 1.966 179.565 177.584 0.026 0.000 1.188 11 A CA 2.065 54.124 52.037 0.037 0.000 0.631 11 A CB -1.395 17.623 19.000 0.030 0.000 0.822 11 A HN 0.780 nan 8.150 nan 0.000 0.447 12 N N 0.360 119.071 118.700 0.018 0.000 2.149 12 N HA -0.169 4.571 4.740 0.001 0.000 0.188 12 N C 1.508 177.019 175.510 0.002 0.000 1.019 12 N CA 1.926 54.977 53.050 0.002 0.000 0.857 12 N CB -0.488 37.991 38.487 -0.012 0.000 0.997 12 N HN 0.405 nan 8.380 nan 0.000 0.426 13 I N 1.716 122.298 120.570 0.020 0.000 2.233 13 I HA -0.039 4.132 4.170 0.001 0.000 0.243 13 I C 2.783 178.928 176.117 0.047 0.000 1.093 13 I CA 0.807 62.127 61.300 0.034 0.000 1.380 13 I CB -1.653 36.379 38.000 0.053 0.000 1.067 13 I HN 0.168 nan 8.210 nan 0.000 0.413 14 A N 1.021 123.869 122.820 0.047 0.000 1.892 14 A HA -0.261 4.059 4.320 0.001 0.000 0.218 14 A C 1.963 179.574 177.584 0.045 0.000 1.188 14 A CA 2.317 54.383 52.037 0.048 0.000 0.631 14 A CB -0.767 18.259 19.000 0.043 0.000 0.822 14 A HN 0.384 nan 8.150 nan 0.000 0.447 15 D N -0.794 119.626 120.400 0.034 0.000 2.144 15 D HA -0.152 4.489 4.640 0.001 0.000 0.199 15 D C 2.100 178.424 176.300 0.040 0.000 0.984 15 D CA 1.717 55.735 54.000 0.030 0.000 0.834 15 D CB -0.254 40.555 40.800 0.015 0.000 0.955 15 D HN 0.817 nan 8.370 nan 0.000 0.465 16 R N 0.463 120.985 120.500 0.036 0.000 2.334 16 R HA 0.129 4.469 4.340 0.001 0.000 0.212 16 R C 0.808 177.220 176.300 0.186 0.000 0.897 16 R CA -0.145 55.987 56.100 0.054 0.000 1.056 16 R CB -0.683 29.550 30.300 -0.113 0.000 1.046 16 R HN 0.192 nan 8.270 nan 0.000 0.513 17 C N 0.533 119.921 119.300 0.147 0.000 2.657 17 C HA 0.243 4.704 4.460 0.001 0.000 0.420 17 C C 1.878 176.968 174.990 0.166 0.000 1.323 17 C CA -0.918 58.208 59.018 0.180 0.000 1.894 17 C CB 0.038 27.850 27.740 0.120 0.000 2.681 17 C HN 0.493 nan 8.230 nan 0.000 0.613 18 L N 1.935 123.258 121.223 0.167 0.000 2.141 18 L HA 0.151 4.492 4.340 0.001 0.000 0.209 18 L C 0.839 177.733 176.870 0.040 0.000 1.094 18 L CA 1.246 56.152 54.840 0.110 0.000 0.763 18 L CB -0.364 41.813 42.059 0.197 0.000 0.908 18 L HN 0.710 nan 8.230 nan 0.000 0.437 19 I N 0.481 121.081 120.570 0.050 0.000 2.497 19 I HA 0.114 4.285 4.170 0.001 0.000 0.284 19 I C -0.758 175.404 176.117 0.075 0.000 1.060 19 I CA -0.742 60.574 61.300 0.028 0.000 1.071 19 I CB 1.619 39.623 38.000 0.006 0.000 1.216 19 I HN 0.123 nan 8.210 nan 0.000 0.442 20 N N 6.692 125.434 118.700 0.070 0.000 2.405 20 N HA 0.467 5.207 4.740 0.001 0.000 0.269 20 N C -2.320 173.249 175.510 0.099 0.000 1.249 20 N CA -1.718 51.376 53.050 0.073 0.000 0.974 20 N CB 0.079 38.600 38.487 0.058 0.000 1.204 20 N HN 0.083 nan 8.380 nan 0.000 0.565 21 P HA -0.133 nan 4.420 nan 0.000 0.216 21 P C 0.506 177.891 177.300 0.142 0.000 1.153 21 P CA 1.655 64.817 63.100 0.105 0.000 0.858 21 P CB 0.102 31.843 31.700 0.068 0.000 0.789 22 E N -0.354 119.903 120.200 0.094 0.000 2.072 22 E HA -0.192 4.158 4.350 0.001 0.000 0.191 22 E C 2.170 178.810 176.600 0.068 0.000 0.985 22 E CA 1.152 57.596 56.400 0.074 0.000 0.801 22 E CB -0.822 28.904 29.700 0.044 0.000 0.750 22 E HN 0.376 nan 8.360 nan 0.000 0.452 23 Q N -0.549 119.290 119.800 0.065 0.000 2.124 23 Q HA -0.189 4.152 4.340 0.001 0.000 0.202 23 Q C 1.882 177.920 176.000 0.063 0.000 0.977 23 Q CA 1.414 57.233 55.803 0.027 0.000 0.850 23 Q CB -0.273 28.468 28.738 0.005 0.000 0.901 23 Q HN 0.400 nan 8.270 nan 0.000 0.429 24 Y N 1.752 122.100 120.300 0.079 0.000 2.114 24 Y HA -0.238 4.313 4.550 0.001 0.000 0.284 24 Y C 2.051 178.065 175.900 0.191 0.000 1.143 24 Y CA 1.529 59.755 58.100 0.209 0.000 1.135 24 Y CB 0.089 38.627 38.460 0.129 0.000 0.980 24 Y HN -0.010 nan 8.280 nan 0.000 0.499 25 E N -0.232 120.017 120.200 0.082 0.000 2.058 25 E HA -0.172 4.179 4.350 0.001 0.000 0.194 25 E C 2.209 178.763 176.600 -0.077 0.000 0.997 25 E CA 1.888 58.282 56.400 -0.010 0.000 0.801 25 E CB -0.735 29.025 29.700 0.100 0.000 0.746 25 E HN 0.519 nan 8.360 nan 0.000 0.450 26 T N 1.611 116.124 114.554 -0.068 0.000 2.708 26 T HA -0.128 4.222 4.350 0.001 0.000 0.266 26 T C 1.897 176.477 174.700 -0.200 0.000 1.037 26 T CA 1.418 63.459 62.100 -0.099 0.000 1.146 26 T CB -0.064 68.762 68.868 -0.070 0.000 0.865 26 T HN 0.143 nan 8.240 nan 0.000 0.435 27 K N -0.236 119.980 120.400 -0.307 0.000 2.103 27 K HA -0.039 4.282 4.320 0.001 0.000 0.204 27 K C 2.146 178.275 176.600 -0.786 0.000 1.052 27 K CA 0.957 56.906 56.287 -0.565 0.000 0.945 27 K CB -0.277 31.667 32.500 -0.926 0.000 0.722 27 K HN 0.354 nan 8.250 nan 0.000 0.443 28 Y N 2.337 122.271 120.300 -0.611 0.000 2.145 28 Y HA -0.334 4.217 4.550 0.001 0.000 0.286 28 Y C 2.574 178.255 175.900 -0.365 0.000 1.145 28 Y CA 2.734 60.571 58.100 -0.438 0.000 1.148 28 Y CB -0.431 37.691 38.460 -0.562 0.000 0.981 28 Y HN -0.000 nan 8.280 nan 0.000 0.507 29 K N 0.546 120.801 120.400 -0.243 0.000 2.063 29 K HA -0.255 4.066 4.320 0.001 0.000 0.208 29 K C 2.111 178.536 176.600 -0.292 0.000 1.048 29 K CA 1.977 58.142 56.287 -0.203 0.000 0.928 29 K CB -1.147 31.306 32.500 -0.078 0.000 0.713 29 K HN 0.696 nan 8.250 nan 0.000 0.442 30 Q N 0.497 120.101 119.800 -0.328 0.000 2.119 30 Q HA -0.154 4.187 4.340 0.001 0.000 0.201 30 Q C 2.429 178.186 176.000 -0.404 0.000 0.972 30 Q CA 2.003 57.645 55.803 -0.267 0.000 0.847 30 Q CB -0.178 28.476 28.738 -0.139 0.000 0.903 30 Q HN 0.791 nan 8.270 nan 0.000 0.433 31 S N -0.083 115.084 115.700 -0.888 0.000 2.400 31 S HA -0.146 4.324 4.470 0.001 0.000 0.232 31 S C 1.764 176.130 174.600 -0.389 0.000 1.025 31 S CA 1.052 58.640 58.200 -1.020 0.000 0.993 31 S CB -0.198 62.123 63.200 -1.465 0.000 0.808 31 S HN 0.336 nan 8.310 nan 0.000 0.478 32 I N 2.578 122.894 120.570 -0.423 0.000 2.556 32 I HA 0.101 4.272 4.170 0.001 0.000 0.251 32 I C 1.928 177.978 176.117 -0.112 0.000 1.105 32 I CA 0.632 61.782 61.300 -0.250 0.000 1.436 32 I CB -1.648 36.144 38.000 -0.346 0.000 1.139 32 I HN 0.268 nan 8.210 nan 0.000 0.438 33 N N 0.591 119.217 118.700 -0.122 0.000 2.216 33 N HA -0.112 4.628 4.740 0.001 0.000 0.183 33 N C 0.382 175.876 175.510 -0.027 0.000 1.017 33 N CA 1.063 54.078 53.050 -0.058 0.000 0.861 33 N CB 0.010 38.464 38.487 -0.056 0.000 0.986 33 N HN 0.258 nan 8.380 nan 0.000 0.428 34 D N -0.974 119.411 120.400 -0.025 0.000 2.621 34 D HA 0.239 4.879 4.640 0.001 0.000 0.274 34 D C -2.131 174.226 176.300 0.095 0.000 1.215 34 D CA -1.839 52.177 54.000 0.027 0.000 0.810 34 D CB 0.954 41.767 40.800 0.021 0.000 1.248 34 D HN -0.099 nan 8.370 nan 0.000 0.517 35 P HA -0.074 nan 4.420 nan 0.000 0.218 35 P C 0.910 178.463 177.300 0.420 0.000 1.148 35 P CA 0.797 64.122 63.100 0.376 0.000 0.822 35 P CB 0.548 32.505 31.700 0.427 0.000 0.784 36 D N -1.170 119.365 120.400 0.225 0.000 2.117 36 D HA -0.094 4.546 4.640 0.001 0.000 0.198 36 D C 1.852 178.269 176.300 0.195 0.000 0.982 36 D CA 1.464 55.571 54.000 0.178 0.000 0.828 36 D CB -0.845 39.999 40.800 0.073 0.000 0.967 36 D HN 0.145 nan 8.370 nan 0.000 0.464 37 T N 0.402 115.046 114.554 0.151 0.000 2.770 37 T HA -0.101 4.250 4.350 0.001 0.000 0.263 37 T C 1.756 176.521 174.700 0.108 0.000 1.039 37 T CA 0.516 62.684 62.100 0.113 0.000 1.142 37 T CB -0.492 68.418 68.868 0.071 0.000 0.868 37 T HN 0.085 nan 8.240 nan 0.000 0.435 38 F N 0.547 120.469 119.950 -0.046 0.000 2.046 38 F HA -0.097 4.430 4.527 0.001 0.000 0.297 38 F C 1.768 177.456 175.800 -0.186 0.000 1.123 38 F CA 1.305 59.172 58.000 -0.222 0.000 1.199 38 F CB -0.439 38.308 39.000 -0.422 0.000 0.972 38 F HN 0.196 nan 8.300 nan 0.000 0.474 39 W N 0.083 121.562 121.300 0.300 0.000 2.678 39 W HA 0.121 4.781 4.660 0.001 0.000 0.256 39 W C 2.490 179.196 176.519 0.313 0.000 1.280 39 W CA 0.630 58.152 57.345 0.296 0.000 1.345 39 W CB -0.898 28.821 29.460 0.433 0.000 1.118 39 W HN 0.136 nan 8.180 nan 0.000 0.629 40 G N 0.680 109.725 108.800 0.408 0.000 2.404 40 G HA2 -0.224 3.737 3.960 0.001 0.000 0.215 40 G HA3 -0.224 3.737 3.960 0.001 0.000 0.215 40 G C 1.255 176.336 174.900 0.301 0.000 1.174 40 G CA 1.013 46.359 45.100 0.411 0.000 0.780 40 G HN 0.276 nan 8.290 nan 0.000 0.537 41 E N -0.521 119.745 120.200 0.110 0.000 2.072 41 E HA -0.088 4.263 4.350 0.001 0.000 0.190 41 E C 2.519 179.125 176.600 0.010 0.000 0.982 41 E CA 0.870 57.279 56.400 0.016 0.000 0.803 41 E CB -0.052 29.596 29.700 -0.086 0.000 0.755 41 E HN 0.285 nan 8.360 nan 0.000 0.453 42 Q N 0.403 120.156 119.800 -0.078 0.000 2.172 42 Q HA -0.042 4.298 4.340 0.001 0.000 0.200 42 Q C 1.960 178.102 176.000 0.238 0.000 0.964 42 Q CA 1.525 57.304 55.803 -0.040 0.000 0.855 42 Q CB -0.568 27.934 28.738 -0.393 0.000 0.918 42 Q HN 0.287 nan 8.270 nan 0.000 0.444 43 G N 0.287 109.309 108.800 0.369 0.000 2.501 43 G HA2 -0.211 3.749 3.960 0.001 0.000 0.220 43 G HA3 -0.211 3.749 3.960 0.001 0.000 0.220 43 G C 1.158 176.289 174.900 0.384 0.000 1.114 43 G CA 0.481 45.770 45.100 0.314 0.000 0.757 43 G HN 0.191 nan 8.290 nan 0.000 0.559 44 K N 0.173 120.737 120.400 0.274 0.000 2.555 44 K HA 0.147 4.468 4.320 0.001 0.000 0.193 44 K C 1.965 178.680 176.600 0.193 0.000 1.032 44 K CA -0.129 56.290 56.287 0.221 0.000 1.004 44 K CB -0.182 32.382 32.500 0.107 0.000 0.804 44 K HN 0.456 nan 8.250 nan 0.000 0.496 45 I N 0.761 121.439 120.570 0.180 0.000 2.423 45 I HA -0.197 3.974 4.170 0.001 0.000 0.254 45 I C 0.336 176.509 176.117 0.094 0.000 1.151 45 I CA 0.821 62.194 61.300 0.120 0.000 1.421 45 I CB 0.249 38.308 38.000 0.098 0.000 1.079 45 I HN 0.013 nan 8.210 nan 0.000 0.431 46 L N 0.639 121.941 121.223 0.132 0.000 2.344 46 L HA 0.300 4.640 4.340 0.001 0.000 0.272 46 L C -0.548 176.346 176.870 0.039 0.000 1.035 46 L CA -1.035 53.792 54.840 -0.022 0.000 0.807 46 L CB 0.720 42.621 42.059 -0.264 0.000 1.237 46 L HN -0.100 nan 8.230 nan 0.000 0.442 47 D N 0.818 121.169 120.400 -0.082 0.000 2.351 47 D HA 0.229 4.869 4.640 0.001 0.000 0.251 47 D C -1.028 175.188 176.300 -0.139 0.000 1.137 47 D CA 0.288 54.272 54.000 -0.028 0.000 0.879 47 D CB 0.695 41.455 40.800 -0.066 0.000 1.181 47 D HN 0.169 nan 8.370 nan 0.000 0.448 48 W N 1.814 123.091 121.300 -0.038 0.000 2.632 48 W HA 0.397 5.058 4.660 0.001 0.000 0.328 48 W C 1.178 177.679 176.519 -0.030 0.000 1.044 48 W CA -0.678 56.651 57.345 -0.026 0.000 1.225 48 W CB 0.837 30.272 29.460 -0.042 0.000 1.396 48 W HN 0.308 nan 8.180 nan 0.000 0.499 49 I N 1.157 121.838 120.570 0.184 0.000 2.277 49 I HA -0.081 4.090 4.170 0.001 0.000 0.243 49 I C 1.420 177.604 176.117 0.111 0.000 1.094 49 I CA 1.080 62.444 61.300 0.106 0.000 1.393 49 I CB -0.296 37.742 38.000 0.063 0.000 1.078 49 I HN 0.381 nan 8.210 nan 0.000 0.417 50 T N 0.608 115.254 114.554 0.152 0.000 2.792 50 T HA 0.425 4.776 4.350 0.001 0.000 0.280 50 T C -2.683 172.085 174.700 0.114 0.000 0.990 50 T CA -2.359 59.804 62.100 0.104 0.000 0.960 50 T CB 1.787 70.703 68.868 0.080 0.000 0.939 50 T HN -0.156 nan 8.240 nan 0.000 0.439 51 P HA 0.142 nan 4.420 nan 0.000 0.271 51 P C -0.253 176.886 177.300 -0.269 0.000 1.216 51 P CA -0.334 62.606 63.100 -0.267 0.000 0.771 51 P CB 0.090 31.606 31.700 -0.308 0.000 0.864 52 Y N 0.640 120.764 120.300 -0.293 0.000 2.385 52 Y HA 0.178 4.728 4.550 0.001 0.000 0.346 52 Y C 1.652 177.483 175.900 -0.115 0.000 1.270 52 Y CA -0.128 57.854 58.100 -0.197 0.000 1.472 52 Y CB -0.080 38.214 38.460 -0.276 0.000 1.354 52 Y HN 0.457 nan 8.280 nan 0.000 0.611 53 Q N 0.578 120.483 119.800 0.175 0.000 2.577 53 Q HA 0.209 4.549 4.340 0.001 0.000 0.242 53 Q C 0.249 176.337 176.000 0.147 0.000 0.818 53 Q CA 0.411 56.281 55.803 0.110 0.000 0.962 53 Q CB 0.377 29.139 28.738 0.039 0.000 1.272 53 Q HN 0.778 nan 8.270 nan 0.000 0.593 54 K N 0.503 120.968 120.400 0.108 0.000 2.270 54 K HA 0.409 4.730 4.320 0.001 0.000 0.276 54 K C 0.376 176.976 176.600 0.000 0.000 1.023 54 K CA 0.010 56.315 56.287 0.031 0.000 0.955 54 K CB 0.901 33.389 32.500 -0.020 0.000 0.975 54 K HN 0.128 nan 8.250 nan 0.000 0.471 55 V N 1.510 121.369 119.914 -0.092 0.000 3.355 55 V HA 0.240 4.361 4.120 0.001 0.000 0.210 55 V C 0.918 176.723 176.094 -0.482 0.000 1.157 55 V CA 0.298 62.455 62.300 -0.238 0.000 1.336 55 V CB 0.021 31.821 31.823 -0.038 0.000 1.317 55 V HN 0.845 nan 8.190 nan 0.000 0.503 56 K N 2.016 122.080 120.400 -0.559 0.000 2.201 56 K HA 0.280 4.601 4.320 0.001 0.000 0.278 56 K C -0.890 175.298 176.600 -0.687 0.000 1.027 56 K CA -0.099 55.540 56.287 -1.080 0.000 0.909 56 K CB 0.444 32.352 32.500 -0.987 0.000 1.062 56 K HN 0.434 nan 8.250 nan 0.000 0.465 57 N N 2.923 121.173 118.700 -0.750 0.000 2.751 57 N HA 0.098 4.838 4.740 0.001 0.000 0.238 57 N C -2.061 173.210 175.510 -0.399 0.000 1.351 57 N CA -0.360 52.431 53.050 -0.432 0.000 0.751 57 N CB 1.195 39.505 38.487 -0.295 0.000 1.342 57 N HN 0.672 nan 8.380 nan 0.000 0.540 58 T N -1.291 113.045 114.554 -0.362 0.000 2.909 58 T HA 0.763 5.114 4.350 0.001 0.000 0.299 58 T C -0.972 173.637 174.700 -0.151 0.000 1.073 58 T CA -0.706 61.245 62.100 -0.248 0.000 0.999 58 T CB 1.755 70.453 68.868 -0.283 0.000 1.098 58 T HN 0.117 nan 8.240 nan 0.000 0.477 59 S N 1.038 116.717 115.700 -0.035 0.000 2.540 59 S HA 0.605 5.075 4.470 0.001 0.000 0.275 59 S C -0.528 174.214 174.600 0.237 0.000 1.123 59 S CA -0.907 57.309 58.200 0.026 0.000 0.907 59 S CB 0.976 64.184 63.200 0.012 0.000 1.081 59 S HN 0.743 nan 8.310 nan 0.000 0.476 60 F N 1.984 121.938 119.950 0.007 0.000 2.695 60 F HA 0.323 4.850 4.527 0.001 0.000 0.303 60 F C 1.589 177.406 175.800 0.028 0.000 1.091 60 F CA -0.488 57.523 58.000 0.018 0.000 1.300 60 F CB 0.302 39.450 39.000 0.248 0.000 1.071 60 F HN 0.716 nan 8.300 nan 0.000 0.578 61 A N 2.008 124.946 122.820 0.195 0.000 2.565 61 A HA 0.075 4.395 4.320 0.001 0.000 0.237 61 A C -2.332 175.307 177.584 0.091 0.000 1.053 61 A CA -0.921 51.193 52.037 0.128 0.000 0.755 61 A CB -0.594 18.454 19.000 0.079 0.000 0.980 61 A HN -0.043 nan 8.150 nan 0.000 0.506 62 P HA 0.272 nan 4.420 nan 0.000 0.267 62 P C 1.119 178.446 177.300 0.046 0.000 1.209 62 P CA 1.650 64.790 63.100 0.066 0.000 0.763 62 P CB 0.707 32.446 31.700 0.066 0.000 0.816 63 G N 3.152 111.974 108.800 0.037 0.000 2.268 63 G HA2 -0.269 3.691 3.960 0.001 0.000 0.240 63 G HA3 -0.269 3.691 3.960 0.001 0.000 0.240 63 G C 0.458 175.385 174.900 0.045 0.000 1.010 63 G CA -0.005 45.118 45.100 0.037 0.000 0.618 63 G HN 0.651 nan 8.290 nan 0.000 0.516 64 N N 0.348 119.073 118.700 0.042 0.000 2.723 64 N HA 0.387 5.127 4.740 0.001 0.000 0.290 64 N C -0.484 175.051 175.510 0.042 0.000 1.882 64 N CA -0.143 52.934 53.050 0.045 0.000 0.851 64 N CB 0.913 39.417 38.487 0.029 0.000 1.234 64 N HN 0.084 nan 8.380 nan 0.000 0.491 65 V N 1.524 121.461 119.914 0.039 0.000 2.408 65 V HA 0.277 4.398 4.120 0.001 0.000 0.267 65 V C 0.111 176.288 176.094 0.139 0.000 1.047 65 V CA 0.093 62.368 62.300 -0.042 0.000 0.937 65 V CB 0.869 32.459 31.823 -0.387 0.000 0.999 65 V HN 0.410 nan 8.190 nan 0.000 0.472 66 S N 6.182 121.925 115.700 0.073 0.000 2.649 66 S HA 0.680 5.150 4.470 0.001 0.000 0.274 66 S C -1.098 173.515 174.600 0.021 0.000 1.176 66 S CA -0.509 57.716 58.200 0.042 0.000 0.988 66 S CB 0.839 64.027 63.200 -0.019 0.000 1.071 66 S HN 0.497 nan 8.310 nan 0.000 0.478 67 I N 4.573 125.156 120.570 0.022 0.000 2.382 67 I HA 0.528 4.698 4.170 0.001 0.000 0.286 67 I C -0.341 175.753 176.117 -0.038 0.000 1.002 67 I CA -0.357 60.949 61.300 0.010 0.000 1.135 67 I CB 1.734 39.790 38.000 0.094 0.000 1.288 67 I HN 0.391 nan 8.210 nan 0.000 0.448 68 K N 5.258 125.564 120.400 -0.157 0.000 2.482 68 K HA 0.548 4.868 4.320 0.001 0.000 0.251 68 K C -1.920 174.469 176.600 -0.352 0.000 0.936 68 K CA -0.711 55.489 56.287 -0.146 0.000 0.791 68 K CB 2.365 34.780 32.500 -0.143 0.000 1.213 68 K HN 0.358 nan 8.250 nan 0.000 0.428 69 W N 1.831 123.019 121.300 -0.187 0.000 2.915 69 W HA 0.281 4.941 4.660 0.001 0.000 0.337 69 W C -0.359 176.032 176.519 -0.214 0.000 1.102 69 W CA -0.279 56.850 57.345 -0.359 0.000 1.224 69 W CB 0.788 29.966 29.460 -0.469 0.000 1.416 69 W HN 0.654 nan 8.180 nan 0.000 0.503 70 Y N 0.246 120.558 120.300 0.020 0.000 3.617 70 Y HA -0.417 4.133 4.550 0.001 0.000 0.215 70 Y C 2.028 177.951 175.900 0.039 0.000 1.178 70 Y CA 1.110 59.114 58.100 -0.161 0.000 1.517 70 Y CB -1.407 36.885 38.460 -0.279 0.000 1.457 70 Y HN 0.618 nan 8.280 nan 0.000 0.615 71 E N 0.996 121.267 120.200 0.118 0.000 2.160 71 E HA -0.258 4.092 4.350 0.001 0.000 0.195 71 E C 1.363 178.048 176.600 0.141 0.000 0.991 71 E CA 1.759 58.228 56.400 0.115 0.000 0.810 71 E CB -0.186 29.529 29.700 0.024 0.000 0.742 71 E HN 0.704 nan 8.360 nan 0.000 0.466 72 D N 1.072 121.555 120.400 0.137 0.000 2.340 72 D HA 0.087 4.728 4.640 0.001 0.000 0.220 72 D C 0.768 177.178 176.300 0.184 0.000 1.039 72 D CA 0.288 54.366 54.000 0.131 0.000 0.866 72 D CB -0.137 40.714 40.800 0.085 0.000 0.913 72 D HN 0.190 nan 8.370 nan 0.000 0.523 73 G N -0.144 108.826 108.800 0.284 0.000 2.476 73 G HA2 0.503 4.464 3.960 0.001 0.000 0.286 73 G HA3 0.503 4.464 3.960 0.001 0.000 0.286 73 G C -0.146 175.057 174.900 0.505 0.000 1.177 73 G CA -0.237 45.100 45.100 0.395 0.000 0.870 73 G HN 0.260 nan 8.290 nan 0.000 0.528 74 T N -1.650 113.204 114.554 0.500 0.000 2.916 74 T HA 0.767 5.118 4.350 0.001 0.000 0.292 74 T C -0.429 174.413 174.700 0.238 0.000 1.055 74 T CA -0.625 61.661 62.100 0.310 0.000 1.009 74 T CB 1.693 70.660 68.868 0.165 0.000 1.118 74 T HN 1.456 nan 8.240 nan 0.000 0.497 75 L N -0.928 120.298 121.223 0.005 0.000 3.020 75 L HA 0.749 5.090 4.340 0.001 0.000 0.273 75 L C -2.152 174.628 176.870 -0.150 0.000 1.018 75 L CA -1.204 53.522 54.840 -0.191 0.000 0.950 75 L CB 1.862 43.523 42.059 -0.663 0.000 1.510 75 L HN 0.806 nan 8.230 nan 0.000 0.404 76 N N 0.312 118.918 118.700 -0.157 0.000 2.399 76 N HA 0.449 5.189 4.740 0.001 0.000 0.284 76 N C 0.312 175.744 175.510 -0.131 0.000 1.025 76 N CA -0.750 52.238 53.050 -0.103 0.000 0.885 76 N CB 2.243 40.708 38.487 -0.037 0.000 1.339 76 N HN 0.864 nan 8.380 nan 0.000 0.487 77 L N 3.963 125.108 121.223 -0.130 0.000 1.989 77 L HA -0.064 4.276 4.340 0.001 0.000 0.211 77 L C 1.942 178.778 176.870 -0.056 0.000 1.071 77 L CA 2.126 56.884 54.840 -0.136 0.000 0.749 77 L CB -0.278 41.671 42.059 -0.183 0.000 0.890 77 L HN 0.747 nan 8.230 nan 0.000 0.431 78 A N -0.394 122.422 122.820 -0.007 0.000 2.019 78 A HA -0.113 4.207 4.320 0.001 0.000 0.219 78 A C 2.393 180.019 177.584 0.069 0.000 1.164 78 A CA 1.537 53.609 52.037 0.057 0.000 0.644 78 A CB -0.893 18.143 19.000 0.060 0.000 0.805 78 A HN 0.631 nan 8.150 nan 0.000 0.449 79 A N 0.101 122.937 122.820 0.027 0.000 1.930 79 A HA -0.153 4.168 4.320 0.001 0.000 0.217 79 A C 1.968 179.522 177.584 -0.049 0.000 1.175 79 A CA 1.476 53.523 52.037 0.018 0.000 0.627 79 A CB -0.514 18.480 19.000 -0.010 0.000 0.815 79 A HN 0.565 nan 8.150 nan 0.000 0.443 80 N N -0.430 118.221 118.700 -0.081 0.000 2.270 80 N HA -0.106 4.635 4.740 0.001 0.000 0.181 80 N C 1.370 176.852 175.510 -0.046 0.000 1.016 80 N CA 1.505 54.481 53.050 -0.124 0.000 0.870 80 N CB -0.267 38.130 38.487 -0.149 0.000 0.979 80 N HN 0.495 nan 8.380 nan 0.000 0.431 81 C N -0.137 119.210 119.300 0.078 0.000 2.696 81 C HA 0.309 4.769 4.460 0.001 0.000 0.264 81 C C 2.198 177.438 174.990 0.416 0.000 1.288 81 C CA -0.118 59.047 59.018 0.246 0.000 1.717 81 C CB -0.791 27.081 27.740 0.220 0.000 1.893 81 C HN 0.329 nan 8.230 nan 0.000 0.577 82 L N -0.956 120.437 121.223 0.284 0.000 2.865 82 L HA 0.214 4.555 4.340 0.001 0.000 0.167 82 L C 1.603 178.594 176.870 0.201 0.000 1.135 82 L CA 0.287 55.358 54.840 0.385 0.000 0.895 82 L CB -0.707 41.584 42.059 0.387 0.000 1.643 82 L HN -0.099 nan 8.230 nan 0.000 0.518 83 D N 1.260 121.745 120.400 0.141 0.000 2.123 83 D HA -0.187 4.453 4.640 0.001 0.000 0.196 83 D C 1.914 178.139 176.300 -0.124 0.000 0.992 83 D CA 1.433 55.430 54.000 -0.004 0.000 0.833 83 D CB -0.199 40.647 40.800 0.076 0.000 0.954 83 D HN 0.297 nan 8.370 nan 0.000 0.455 84 R N -0.027 120.340 120.500 -0.221 0.000 2.328 84 R HA -0.040 4.300 4.340 0.001 0.000 0.207 84 R C 0.893 176.972 176.300 -0.367 0.000 1.056 84 R CA 1.044 56.962 56.100 -0.302 0.000 1.016 84 R CB -0.328 29.767 30.300 -0.342 0.000 0.872 84 R HN 0.327 nan 8.270 nan 0.000 0.471 85 H N 0.205 119.198 119.070 -0.129 0.000 2.648 85 H HA 0.180 4.736 4.556 0.001 0.000 0.265 85 H C 1.878 177.107 175.328 -0.164 0.000 0.961 85 H CA 0.144 56.053 56.048 -0.232 0.000 1.185 85 H CB 0.365 29.785 29.762 -0.570 0.000 1.449 85 H HN 0.166 nan 8.280 nan 0.000 0.523 86 L N 0.320 121.523 121.223 -0.034 0.000 2.017 86 L HA -0.190 4.151 4.340 0.001 0.000 0.208 86 L C 2.682 179.540 176.870 -0.019 0.000 1.073 86 L CA 1.182 56.004 54.840 -0.031 0.000 0.745 86 L CB -0.270 41.715 42.059 -0.125 0.000 0.894 86 L HN 0.154 nan 8.230 nan 0.000 0.432 87 Q N 0.076 119.857 119.800 -0.031 0.000 2.002 87 Q HA -0.261 4.080 4.340 0.001 0.000 0.204 87 Q C 2.100 178.101 176.000 0.000 0.000 0.988 87 Q CA 1.850 57.644 55.803 -0.016 0.000 0.843 87 Q CB -0.170 28.557 28.738 -0.019 0.000 0.908 87 Q HN 0.493 nan 8.270 nan 0.000 0.420 88 E N -0.308 119.894 120.200 0.002 0.000 2.076 88 E HA -0.074 4.277 4.350 0.001 0.000 0.190 88 E C 0.165 176.776 176.600 0.018 0.000 0.979 88 E CA 0.732 57.139 56.400 0.013 0.000 0.807 88 E CB 0.204 29.914 29.700 0.017 0.000 0.761 88 E HN 0.344 nan 8.360 nan 0.000 0.454 89 N N -1.112 117.593 118.700 0.008 0.000 2.451 89 N HA 0.140 4.880 4.740 0.001 0.000 0.271 89 N C 0.615 176.164 175.510 0.065 0.000 1.410 89 N CA 0.024 53.080 53.050 0.010 0.000 0.884 89 N CB 1.422 39.861 38.487 -0.081 0.000 1.332 89 N HN 0.065 nan 8.380 nan 0.000 0.498 90 G N 0.539 109.385 108.800 0.078 0.000 2.450 90 G HA2 -0.237 3.723 3.960 0.001 0.000 0.220 90 G HA3 -0.237 3.723 3.960 0.001 0.000 0.220 90 G C 1.116 176.111 174.900 0.157 0.000 1.130 90 G CA 0.905 46.080 45.100 0.125 0.000 0.760 90 G HN 0.247 nan 8.290 nan 0.000 0.557 91 D N -0.565 119.908 120.400 0.122 0.000 2.348 91 D HA 0.047 4.687 4.640 0.001 0.000 0.211 91 D C 1.384 177.770 176.300 0.143 0.000 0.998 91 D CA -0.156 53.913 54.000 0.115 0.000 0.873 91 D CB 0.190 41.037 40.800 0.079 0.000 0.925 91 D HN 0.242 nan 8.370 nan 0.000 0.524 92 R N 1.192 121.804 120.500 0.185 0.000 2.623 92 R HA 0.044 4.385 4.340 0.001 0.000 0.271 92 R C -0.356 176.096 176.300 0.254 0.000 1.043 92 R CA 0.200 56.433 56.100 0.222 0.000 1.083 92 R CB 0.405 30.849 30.300 0.240 0.000 0.974 92 R HN -0.177 nan 8.270 nan 0.000 0.436 93 T N 3.858 118.524 114.554 0.186 0.000 2.853 93 T HA 0.123 4.473 4.350 0.001 0.000 0.298 93 T C 0.992 175.683 174.700 -0.014 0.000 0.978 93 T CA 0.106 62.265 62.100 0.099 0.000 1.152 93 T CB 1.439 70.389 68.868 0.137 0.000 0.914 93 T HN 0.739 nan 8.240 nan 0.000 0.539 94 A N 4.269 126.903 122.820 -0.310 0.000 1.871 94 A HA 0.360 4.680 4.320 0.001 0.000 0.211 94 A C 0.780 178.165 177.584 -0.332 0.000 1.207 94 A CA 0.483 52.081 52.037 -0.733 0.000 0.620 94 A CB 0.091 18.345 19.000 -1.243 0.000 0.860 94 A HN 0.778 nan 8.150 nan 0.000 0.450 95 I N 0.712 121.138 120.570 -0.240 0.000 2.466 95 I HA 0.353 4.524 4.170 0.001 0.000 0.289 95 I C -1.209 174.794 176.117 -0.190 0.000 1.026 95 I CA -0.386 60.817 61.300 -0.161 0.000 1.078 95 I CB 1.977 39.901 38.000 -0.126 0.000 1.249 95 I HN 0.109 nan 8.210 nan 0.000 0.429 96 I N 4.926 125.337 120.570 -0.265 0.000 2.315 96 I HA 0.163 4.334 4.170 0.001 0.000 0.291 96 I C -0.941 175.008 176.117 -0.280 0.000 1.006 96 I CA -0.300 60.714 61.300 -0.476 0.000 1.265 96 I CB 0.999 38.551 38.000 -0.746 0.000 1.387 96 I HN 0.594 nan 8.210 nan 0.000 0.475 97 W N 7.802 128.890 121.300 -0.354 0.000 2.376 97 W HA 0.404 5.064 4.660 0.001 0.000 0.312 97 W C -0.275 176.139 176.519 -0.174 0.000 1.060 97 W CA -0.635 56.577 57.345 -0.221 0.000 1.221 97 W CB 1.077 30.445 29.460 -0.154 0.000 1.281 97 W HN 0.364 nan 8.180 nan 0.000 0.456 98 E N 4.483 124.243 120.200 -0.733 0.000 2.113 98 E HA 0.533 4.884 4.350 0.001 0.000 0.273 98 E C 0.277 176.323 176.600 -0.924 0.000 0.924 98 E CA -0.567 55.487 56.400 -0.578 0.000 0.764 98 E CB 1.060 30.608 29.700 -0.253 0.000 1.104 98 E HN 0.537 nan 8.360 nan 0.000 0.406 99 G N 3.100 111.279 108.800 -1.036 0.000 2.569 99 G HA2 0.009 3.969 3.960 0.001 0.000 0.249 99 G HA3 0.009 3.969 3.960 0.001 0.000 0.249 99 G C 0.512 175.232 174.900 -0.300 0.000 1.216 99 G CA -0.122 44.428 45.100 -0.917 0.000 0.845 99 G HN 0.747 nan 8.290 nan 0.000 0.568 100 D N -0.741 119.526 120.400 -0.221 0.000 2.117 100 D HA -0.142 4.498 4.640 0.001 0.000 0.197 100 D C 0.622 177.021 176.300 0.165 0.000 0.987 100 D CA 0.924 54.897 54.000 -0.044 0.000 0.829 100 D CB 0.138 40.878 40.800 -0.101 0.000 0.961 100 D HN 0.291 nan 8.370 nan 0.000 0.460 101 D N -0.772 119.683 120.400 0.091 0.000 2.316 101 D HA 0.030 4.670 4.640 0.001 0.000 0.245 101 D C 0.764 177.080 176.300 0.027 0.000 1.171 101 D CA 0.150 54.212 54.000 0.104 0.000 0.856 101 D CB 1.266 42.118 40.800 0.086 0.000 1.090 101 D HN -0.087 nan 8.370 nan 0.000 0.476 102 T N 1.722 116.294 114.554 0.031 0.000 2.897 102 T HA -0.168 4.183 4.350 0.001 0.000 0.271 102 T C 1.712 176.400 174.700 -0.019 0.000 1.084 102 T CA 1.931 64.025 62.100 -0.010 0.000 1.123 102 T CB -0.046 68.807 68.868 -0.026 0.000 0.865 102 T HN 0.476 nan 8.240 nan 0.000 0.496 103 S N -0.042 115.658 115.700 -0.000 0.000 2.561 103 S HA 0.106 4.577 4.470 0.001 0.000 0.225 103 S C 0.721 175.340 174.600 0.032 0.000 0.977 103 S CA -0.079 58.127 58.200 0.011 0.000 0.926 103 S CB -0.166 63.043 63.200 0.016 0.000 0.769 103 S HN 0.619 nan 8.310 nan 0.000 0.533 104 Q N 2.093 121.908 119.800 0.025 0.000 2.372 104 Q HA 0.583 4.923 4.340 0.001 0.000 0.259 104 Q C -0.756 175.248 176.000 0.007 0.000 0.993 104 Q CA -0.407 55.443 55.803 0.079 0.000 0.854 104 Q CB 1.575 30.393 28.738 0.134 0.000 1.231 104 Q HN 0.538 nan 8.270 nan 0.000 0.462 105 S N 2.340 118.127 115.700 0.145 0.000 2.565 105 S HA 0.660 5.130 4.470 0.001 0.000 0.269 105 S C -1.321 173.465 174.600 0.309 0.000 1.153 105 S CA -1.007 57.292 58.200 0.166 0.000 0.835 105 S CB 2.113 65.375 63.200 0.102 0.000 1.122 105 S HN 0.456 nan 8.310 nan 0.000 0.462 106 K N 0.683 121.291 120.400 0.347 0.000 2.469 106 K HA 0.495 4.815 4.320 0.001 0.000 0.254 106 K C -1.886 174.829 176.600 0.192 0.000 0.939 106 K CA -0.777 55.674 56.287 0.274 0.000 0.812 106 K CB 1.614 34.236 32.500 0.203 0.000 1.301 106 K HN 0.723 nan 8.250 nan 0.000 0.433 107 H N 1.235 120.332 119.070 0.045 0.000 2.551 107 H HA 0.377 4.934 4.556 0.001 0.000 0.321 107 H C -0.874 174.454 175.328 -0.001 0.000 1.028 107 H CA -0.462 55.592 56.048 0.010 0.000 1.215 107 H CB 0.459 30.232 29.762 0.018 0.000 1.414 107 H HN 0.273 nan 8.280 nan 0.000 0.480 108 I N 2.635 123.222 120.570 0.029 0.000 2.330 108 I HA 0.181 4.352 4.170 0.001 0.000 0.289 108 I C 0.433 176.527 176.117 -0.038 0.000 1.001 108 I CA -0.433 60.861 61.300 -0.009 0.000 1.193 108 I CB 1.130 39.093 38.000 -0.063 0.000 1.345 108 I HN 0.575 nan 8.210 nan 0.000 0.461 109 S N 4.619 120.328 115.700 0.014 0.000 2.600 109 S HA 0.205 4.676 4.470 0.001 0.000 0.265 109 S C 1.127 175.722 174.600 -0.008 0.000 1.325 109 S CA -0.136 58.086 58.200 0.037 0.000 1.002 109 S CB 0.441 63.700 63.200 0.098 0.000 0.921 109 S HN 0.529 nan 8.310 nan 0.000 0.554 110 Y N 0.802 121.143 120.300 0.068 0.000 2.165 110 Y HA -0.158 4.393 4.550 0.001 0.000 0.286 110 Y C 2.952 178.916 175.900 0.107 0.000 1.155 110 Y CA 2.223 60.375 58.100 0.087 0.000 1.164 110 Y CB -0.337 38.177 38.460 0.091 0.000 0.978 110 Y HN 0.726 nan 8.280 nan 0.000 0.513 111 R N 0.622 121.257 120.500 0.224 0.000 2.073 111 R HA -0.203 4.138 4.340 0.001 0.000 0.234 111 R C 1.995 178.390 176.300 0.157 0.000 1.134 111 R CA 2.080 58.275 56.100 0.158 0.000 0.952 111 R CB -0.251 30.114 30.300 0.107 0.000 0.850 111 R HN 0.387 nan 8.270 nan 0.000 0.433 112 E N 0.201 120.467 120.200 0.110 0.000 2.058 112 E HA -0.231 4.119 4.350 0.001 0.000 0.194 112 E C 1.944 178.590 176.600 0.077 0.000 0.997 112 E CA 1.431 57.880 56.400 0.080 0.000 0.801 112 E CB -0.172 29.557 29.700 0.048 0.000 0.746 112 E HN 0.211 nan 8.360 nan 0.000 0.450 113 L N 0.913 122.170 121.223 0.056 0.000 2.046 113 L HA -0.193 4.147 4.340 0.001 0.000 0.208 113 L C 2.323 179.253 176.870 0.099 0.000 1.077 113 L CA 1.877 56.736 54.840 0.033 0.000 0.747 113 L CB -0.633 41.395 42.059 -0.051 0.000 0.896 113 L HN 0.269 nan 8.230 nan 0.000 0.432 114 H N 0.010 119.123 119.070 0.072 0.000 2.319 114 H HA -0.220 4.337 4.556 0.001 0.000 0.299 114 H C 2.406 177.780 175.328 0.076 0.000 1.092 114 H CA 2.114 58.217 56.048 0.092 0.000 1.302 114 H CB 0.075 29.907 29.762 0.116 0.000 1.373 114 H HN 0.343 nan 8.280 nan 0.000 0.497 115 R N 0.226 120.823 120.500 0.162 0.000 2.080 115 R HA -0.143 4.198 4.340 0.001 0.000 0.236 115 R C 1.849 178.164 176.300 0.025 0.000 1.137 115 R CA 2.125 58.282 56.100 0.095 0.000 0.943 115 R CB -0.148 30.225 30.300 0.122 0.000 0.846 115 R HN 0.341 nan 8.270 nan 0.000 0.431 116 D N -0.227 120.199 120.400 0.043 0.000 2.178 116 D HA -0.095 4.545 4.640 0.001 0.000 0.202 116 D C 1.956 178.283 176.300 0.046 0.000 0.974 116 D CA 0.884 54.916 54.000 0.055 0.000 0.841 116 D CB -0.011 40.834 40.800 0.075 0.000 0.953 116 D HN 0.097 nan 8.370 nan 0.000 0.478 117 V N 0.584 120.501 119.914 0.006 0.000 2.295 117 V HA -0.287 3.834 4.120 0.001 0.000 0.246 117 V C 2.701 178.753 176.094 -0.069 0.000 1.049 117 V CA 1.306 63.602 62.300 -0.007 0.000 1.024 117 V CB -0.515 31.292 31.823 -0.026 0.000 0.648 117 V HN 0.292 nan 8.190 nan 0.000 0.447 118 C N -0.387 118.821 119.300 -0.154 0.000 2.413 118 C HA -0.173 4.287 4.460 0.001 0.000 0.277 118 C C 2.892 177.831 174.990 -0.085 0.000 1.228 118 C CA 1.054 59.985 59.018 -0.145 0.000 1.731 118 C CB -1.209 26.453 27.740 -0.130 0.000 2.042 118 C HN 0.492 nan 8.230 nan 0.000 0.468 119 R N -0.521 119.959 120.500 -0.034 0.000 2.096 119 R HA -0.190 4.151 4.340 0.001 0.000 0.240 119 R C 2.091 178.352 176.300 -0.064 0.000 1.139 119 R CA 1.930 58.013 56.100 -0.029 0.000 0.952 119 R CB -0.715 29.586 30.300 0.002 0.000 0.854 119 R HN 0.552 nan 8.270 nan 0.000 0.436 120 F N 0.995 120.822 119.950 -0.206 0.000 2.234 120 F HA -0.082 4.446 4.527 0.001 0.000 0.299 120 F C 2.300 177.955 175.800 -0.241 0.000 1.087 120 F CA 0.997 58.832 58.000 -0.274 0.000 1.340 120 F CB -0.262 38.565 39.000 -0.288 0.000 1.031 120 F HN 0.010 nan 8.300 nan 0.000 0.500 121 A N 0.198 122.898 122.820 -0.199 0.000 1.908 121 A HA -0.226 4.094 4.320 0.001 0.000 0.218 121 A C 2.138 179.516 177.584 -0.344 0.000 1.181 121 A CA 1.969 53.795 52.037 -0.351 0.000 0.627 121 A CB -0.829 17.793 19.000 -0.630 0.000 0.818 121 A HN 0.426 nan 8.150 nan 0.000 0.445 122 N N -0.422 118.122 118.700 -0.259 0.000 2.188 122 N HA -0.094 4.647 4.740 0.001 0.000 0.184 122 N C 1.750 177.127 175.510 -0.222 0.000 1.018 122 N CA 1.755 54.717 53.050 -0.147 0.000 0.858 122 N CB -0.666 37.784 38.487 -0.061 0.000 0.989 122 N HN 0.495 nan 8.380 nan 0.000 0.426 123 T N 2.224 116.570 114.554 -0.347 0.000 2.622 123 T HA -0.052 4.299 4.350 0.001 0.000 0.266 123 T C 2.186 176.603 174.700 -0.471 0.000 1.047 123 T CA 0.857 62.684 62.100 -0.454 0.000 1.159 123 T CB -0.369 68.083 68.868 -0.694 0.000 0.863 123 T HN 0.119 nan 8.240 nan 0.000 0.422 124 L N 0.445 121.316 121.223 -0.586 0.000 1.990 124 L HA -0.136 4.205 4.340 0.001 0.000 0.213 124 L C 2.586 179.314 176.870 -0.236 0.000 1.072 124 L CA 1.340 55.936 54.840 -0.406 0.000 0.755 124 L CB -0.803 41.042 42.059 -0.357 0.000 0.889 124 L HN 0.239 nan 8.230 nan 0.000 0.432 125 L N -0.288 120.819 121.223 -0.194 0.000 1.990 125 L HA -0.290 4.051 4.340 0.001 0.000 0.213 125 L C 2.226 179.034 176.870 -0.104 0.000 1.072 125 L CA 1.432 56.206 54.840 -0.110 0.000 0.755 125 L CB -0.770 41.254 42.059 -0.059 0.000 0.889 125 L HN 0.329 nan 8.230 nan 0.000 0.432 126 D N -0.364 119.962 120.400 -0.125 0.000 2.309 126 D HA -0.138 4.502 4.640 0.001 0.000 0.212 126 D C 1.881 178.105 176.300 -0.126 0.000 0.968 126 D CA 0.901 54.835 54.000 -0.111 0.000 0.882 126 D CB 0.006 40.737 40.800 -0.114 0.000 0.918 126 D HN 0.166 nan 8.370 nan 0.000 0.503 127 L N -0.782 120.346 121.223 -0.159 0.000 2.567 127 L HA 0.269 4.609 4.340 0.001 0.000 0.225 127 L C 1.511 178.327 176.870 -0.091 0.000 1.119 127 L CA 0.678 55.416 54.840 -0.169 0.000 0.871 127 L CB 0.064 41.984 42.059 -0.231 0.000 1.036 127 L HN 0.184 nan 8.230 nan 0.000 0.459 128 G N -0.766 107.990 108.800 -0.074 0.000 2.159 128 G HA2 -0.199 3.762 3.960 0.001 0.000 0.227 128 G HA3 -0.199 3.762 3.960 0.001 0.000 0.227 128 G C 0.316 175.197 174.900 -0.032 0.000 0.986 128 G CA -0.032 45.045 45.100 -0.038 0.000 0.651 128 G HN 0.104 nan 8.290 nan 0.000 0.523 129 I N 1.126 121.664 120.570 -0.053 0.000 2.556 129 I HA 0.341 4.512 4.170 0.001 0.000 0.284 129 I C 0.800 176.897 176.117 -0.032 0.000 1.114 129 I CA 0.423 61.698 61.300 -0.041 0.000 1.418 129 I CB 0.804 38.766 38.000 -0.064 0.000 1.394 129 I HN 0.151 nan 8.210 nan 0.000 0.552 130 K N 4.338 124.729 120.400 -0.015 0.000 2.352 130 K HA 0.367 4.688 4.320 0.001 0.000 0.240 130 K C -0.253 176.347 176.600 -0.001 0.000 1.017 130 K CA -1.117 55.166 56.287 -0.007 0.000 0.851 130 K CB 1.888 34.387 32.500 -0.002 0.000 1.261 130 K HN 0.341 nan 8.250 nan 0.000 0.451 131 K N 0.546 120.948 120.400 0.003 0.000 2.491 131 K HA -0.101 4.220 4.320 0.001 0.000 0.279 131 K C 0.618 177.221 176.600 0.006 0.000 1.026 131 K CA 1.593 57.883 56.287 0.005 0.000 1.070 131 K CB -0.203 32.302 32.500 0.008 0.000 0.887 131 K HN 0.797 nan 8.250 nan 0.000 0.481 132 G N 3.261 112.064 108.800 0.004 0.000 2.241 132 G HA2 -0.225 3.736 3.960 0.001 0.000 0.244 132 G HA3 -0.225 3.736 3.960 0.001 0.000 0.244 132 G C -0.310 174.602 174.900 0.019 0.000 0.998 132 G CA 0.181 45.288 45.100 0.012 0.000 0.621 132 G HN 0.730 nan 8.290 nan 0.000 0.519 133 D N 0.689 121.097 120.400 0.014 0.000 2.443 133 D HA 0.422 5.062 4.640 0.001 0.000 0.239 133 D C 0.749 177.052 176.300 0.005 0.000 1.136 133 D CA 0.176 54.185 54.000 0.016 0.000 0.879 133 D CB 1.566 42.373 40.800 0.011 0.000 1.195 133 D HN 0.265 nan 8.370 nan 0.000 0.443 134 V N 2.310 122.223 119.914 -0.003 0.000 2.439 134 V HA 0.289 4.409 4.120 0.001 0.000 0.282 134 V C 0.352 176.457 176.094 0.019 0.000 1.039 134 V CA -0.708 61.579 62.300 -0.022 0.000 0.913 134 V CB 1.705 33.467 31.823 -0.102 0.000 0.983 134 V HN 0.205 nan 8.190 nan 0.000 0.460 135 V N 4.084 124.032 119.914 0.058 0.000 2.409 135 V HA 0.652 4.772 4.120 0.001 0.000 0.291 135 V C 0.469 176.628 176.094 0.108 0.000 1.020 135 V CA -0.642 61.708 62.300 0.083 0.000 0.848 135 V CB 1.667 33.555 31.823 0.109 0.000 0.990 135 V HN 1.006 nan 8.190 nan 0.000 0.430 136 A N 6.825 129.693 122.820 0.081 0.000 2.362 136 A HA 0.745 5.065 4.320 0.001 0.000 0.276 136 A C -0.367 177.281 177.584 0.107 0.000 1.153 136 A CA -0.105 51.982 52.037 0.084 0.000 0.813 136 A CB -0.031 18.986 19.000 0.030 0.000 1.081 136 A HN 0.783 nan 8.150 nan 0.000 0.507 137 I N 2.538 123.180 120.570 0.120 0.000 2.382 137 I HA 0.225 4.396 4.170 0.001 0.000 0.286 137 I C -1.165 175.042 176.117 0.151 0.000 1.002 137 I CA -0.290 61.073 61.300 0.105 0.000 1.135 137 I CB 1.481 39.498 38.000 0.027 0.000 1.288 137 I HN 0.711 nan 8.210 nan 0.000 0.448 138 Y N 8.259 128.543 120.300 -0.026 0.000 2.787 138 Y HA 0.543 5.094 4.550 0.001 0.000 0.352 138 Y C -1.014 174.836 175.900 -0.083 0.000 1.027 138 Y CA -0.889 57.180 58.100 -0.051 0.000 1.219 138 Y CB 0.553 38.988 38.460 -0.042 0.000 1.110 138 Y HN 0.400 nan 8.280 nan 0.000 0.614 139 M N 5.688 125.162 119.600 -0.210 0.000 2.591 139 M HA 0.503 4.983 4.480 0.001 0.000 0.306 139 M C -2.558 173.567 176.300 -0.293 0.000 1.190 139 M CA -1.815 53.337 55.300 -0.246 0.000 0.889 139 M CB 2.246 34.734 32.600 -0.187 0.000 1.728 139 M HN 0.299 nan 8.290 nan 0.000 0.458 140 P HA 0.340 nan 4.420 nan 0.000 0.293 140 P C -0.540 176.669 177.300 -0.152 0.000 1.304 140 P CA -0.497 62.466 63.100 -0.229 0.000 0.767 140 P CB 0.627 32.206 31.700 -0.203 0.000 1.247 141 M N 0.890 120.444 119.600 -0.077 0.000 3.436 141 M HA 0.155 4.636 4.480 0.001 0.000 0.240 141 M C -0.106 176.280 176.300 0.143 0.000 1.469 141 M CA -0.112 55.196 55.300 0.013 0.000 1.622 141 M CB -1.292 31.331 32.600 0.038 0.000 1.098 141 M HN 0.111 nan 8.290 nan 0.000 0.568 142 V N 0.488 120.366 119.914 -0.061 0.000 2.960 142 V HA 0.573 4.693 4.120 0.001 0.000 0.315 142 V C -2.353 173.493 176.094 -0.413 0.000 1.087 142 V CA -1.817 60.284 62.300 -0.331 0.000 0.982 142 V CB 1.576 33.111 31.823 -0.481 0.000 1.039 142 V HN 0.223 nan 8.190 nan 0.000 0.437 143 P HA -0.055 nan 4.420 nan 0.000 0.219 143 P C 1.111 178.193 177.300 -0.363 0.000 1.146 143 P CA 1.236 64.104 63.100 -0.386 0.000 0.808 143 P CB 0.245 31.703 31.700 -0.403 0.000 0.779 144 E N -0.358 119.536 120.200 -0.509 0.000 2.268 144 E HA -0.093 4.258 4.350 0.001 0.000 0.195 144 E C 2.091 178.431 176.600 -0.433 0.000 0.995 144 E CA 1.131 57.162 56.400 -0.614 0.000 0.836 144 E CB -0.901 28.052 29.700 -1.245 0.000 0.763 144 E HN 0.173 nan 8.360 nan 0.000 0.491 145 A N 1.178 123.785 122.820 -0.356 0.000 1.877 145 A HA -0.143 4.177 4.320 0.001 0.000 0.216 145 A C 2.383 179.828 177.584 -0.232 0.000 1.186 145 A CA 1.864 53.747 52.037 -0.257 0.000 0.620 145 A CB -0.892 17.969 19.000 -0.232 0.000 0.822 145 A HN 0.314 nan 8.150 nan 0.000 0.443 146 A N -0.576 122.110 122.820 -0.224 0.000 1.902 146 A HA 0.002 4.322 4.320 0.001 0.000 0.217 146 A C 2.236 179.741 177.584 -0.131 0.000 1.181 146 A CA 1.797 53.715 52.037 -0.198 0.000 0.623 146 A CB -1.025 17.872 19.000 -0.173 0.000 0.818 146 A HN 0.417 nan 8.150 nan 0.000 0.443 147 V N -0.041 119.800 119.914 -0.121 0.000 2.287 147 V HA -0.300 3.821 4.120 0.001 0.000 0.248 147 V C 3.052 179.114 176.094 -0.054 0.000 1.053 147 V CA 2.151 64.414 62.300 -0.062 0.000 1.027 147 V CB -1.311 30.498 31.823 -0.022 0.000 0.646 147 V HN 0.624 nan 8.190 nan 0.000 0.447 148 A N -0.899 121.858 122.820 -0.105 0.000 1.930 148 A HA -0.198 4.123 4.320 0.001 0.000 0.217 148 A C 2.231 179.873 177.584 0.097 0.000 1.175 148 A CA 2.096 54.126 52.037 -0.012 0.000 0.627 148 A CB -0.460 18.554 19.000 0.022 0.000 0.815 148 A HN 0.508 nan 8.150 nan 0.000 0.443 149 M N -0.857 118.722 119.600 -0.034 0.000 2.132 149 M HA -0.065 4.416 4.480 0.001 0.000 0.263 149 M C 2.035 178.467 176.300 0.219 0.000 1.065 149 M CA 1.330 56.607 55.300 -0.038 0.000 1.122 149 M CB -0.385 32.004 32.600 -0.351 0.000 1.365 149 M HN 0.356 nan 8.290 nan 0.000 0.411 150 L N -0.598 120.715 121.223 0.150 0.000 2.109 150 L HA -0.066 4.274 4.340 0.001 0.000 0.207 150 L C 2.768 179.722 176.870 0.140 0.000 1.086 150 L CA 0.866 55.819 54.840 0.188 0.000 0.760 150 L CB -0.720 41.418 42.059 0.132 0.000 0.910 150 L HN 0.258 nan 8.230 nan 0.000 0.437 151 A N -0.910 121.994 122.820 0.140 0.000 1.930 151 A HA -0.210 4.111 4.320 0.001 0.000 0.217 151 A C 2.410 180.048 177.584 0.090 0.000 1.175 151 A CA 1.680 53.787 52.037 0.116 0.000 0.627 151 A CB -1.132 18.043 19.000 0.293 0.000 0.815 151 A HN 0.507 nan 8.150 nan 0.000 0.443 152 C N -1.013 118.386 119.300 0.166 0.000 2.432 152 C HA 0.008 4.468 4.460 0.001 0.000 0.277 152 C C 3.326 178.376 174.990 0.100 0.000 1.249 152 C CA 0.919 60.023 59.018 0.143 0.000 1.725 152 C CB -1.324 26.559 27.740 0.239 0.000 2.028 152 C HN 0.706 nan 8.230 nan 0.000 0.477 153 A N 0.064 122.966 122.820 0.137 0.000 1.978 153 A HA -0.231 4.090 4.320 0.001 0.000 0.220 153 A C 2.240 179.838 177.584 0.022 0.000 1.170 153 A CA 1.772 53.844 52.037 0.058 0.000 0.636 153 A CB -0.651 18.387 19.000 0.063 0.000 0.810 153 A HN 0.675 nan 8.150 nan 0.000 0.448 154 R N 0.039 120.556 120.500 0.028 0.000 2.120 154 R HA -0.079 4.261 4.340 0.001 0.000 0.234 154 R C 1.716 178.032 176.300 0.025 0.000 1.123 154 R CA 1.765 57.871 56.100 0.011 0.000 0.975 154 R CB -0.321 29.954 30.300 -0.041 0.000 0.866 154 R HN 0.752 nan 8.270 nan 0.000 0.446 155 I N -4.537 116.033 120.570 0.001 0.000 4.018 155 I HA 0.425 4.595 4.170 0.001 0.000 0.337 155 I C 0.817 176.943 176.117 0.015 0.000 1.327 155 I CA 0.455 61.765 61.300 0.017 0.000 1.100 155 I CB 1.024 39.010 38.000 -0.023 0.000 1.025 155 I HN 0.195 nan 8.210 nan 0.000 0.396 156 G N 1.725 110.529 108.800 0.006 0.000 2.159 156 G HA2 -0.254 3.706 3.960 0.001 0.000 0.256 156 G HA3 -0.254 3.706 3.960 0.001 0.000 0.256 156 G C 0.486 175.382 174.900 -0.007 0.000 0.977 156 G CA 0.054 45.152 45.100 -0.005 0.000 0.652 156 G HN 0.944 nan 8.290 nan 0.000 0.531 157 A N -0.558 122.263 122.820 0.003 0.000 2.425 157 A HA 0.599 4.920 4.320 0.001 0.000 0.242 157 A C 0.576 178.160 177.584 -0.001 0.000 1.077 157 A CA 0.619 52.661 52.037 0.008 0.000 0.781 157 A CB 0.839 19.852 19.000 0.023 0.000 1.020 157 A HN 1.193 nan 8.150 nan 0.000 0.494 158 V N 4.265 124.171 119.914 -0.013 0.000 2.294 158 V HA 0.246 4.366 4.120 0.001 0.000 0.272 158 V C -0.047 176.053 176.094 0.009 0.000 1.027 158 V CA -0.587 61.679 62.300 -0.057 0.000 0.823 158 V CB 0.118 31.887 31.823 -0.090 0.000 1.030 158 V HN 1.027 nan 8.190 nan 0.000 0.457 159 H N 1.954 121.092 119.070 0.113 0.000 2.732 159 H HA 0.551 5.108 4.556 0.001 0.000 0.351 159 H C 0.060 175.481 175.328 0.155 0.000 1.090 159 H CA -0.475 55.647 56.048 0.123 0.000 1.431 159 H CB 1.031 30.867 29.762 0.123 0.000 1.447 159 H HN 0.489 nan 8.280 nan 0.000 0.582 160 S N 3.556 119.448 115.700 0.320 0.000 2.667 160 S HA 0.375 4.845 4.470 0.001 0.000 0.304 160 S C -0.998 173.762 174.600 0.268 0.000 1.135 160 S CA -0.863 57.519 58.200 0.303 0.000 1.125 160 S CB -0.277 63.047 63.200 0.208 0.000 0.996 160 S HN 0.555 nan 8.310 nan 0.000 0.474 161 V N 6.924 127.014 119.914 0.295 0.000 2.488 161 V HA 0.418 4.538 4.120 0.001 0.000 0.277 161 V C 0.085 176.301 176.094 0.205 0.000 1.046 161 V CA -0.292 62.114 62.300 0.177 0.000 0.986 161 V CB 0.896 32.783 31.823 0.106 0.000 0.989 161 V HN 0.775 nan 8.190 nan 0.000 0.475 162 I N 5.331 126.022 120.570 0.203 0.000 2.362 162 I HA 0.311 4.481 4.170 0.001 0.000 0.289 162 I C -0.105 176.200 176.117 0.315 0.000 0.994 162 I CA -0.590 60.882 61.300 0.287 0.000 1.158 162 I CB 1.315 39.464 38.000 0.249 0.000 1.315 162 I HN 0.525 nan 8.210 nan 0.000 0.451 163 F N 5.439 125.430 119.950 0.069 0.000 2.612 163 F HA 0.100 4.627 4.527 0.001 0.000 0.389 163 F C 1.475 177.223 175.800 -0.087 0.000 1.055 163 F CA -0.197 57.621 58.000 -0.303 0.000 1.232 163 F CB 0.893 39.335 39.000 -0.929 0.000 1.044 163 F HN 0.611 nan 8.300 nan 0.000 0.560 164 G N 4.038 112.348 108.800 -0.817 0.000 2.535 164 G HA2 -0.121 3.839 3.960 0.001 0.000 0.218 164 G HA3 -0.121 3.839 3.960 0.001 0.000 0.218 164 G C 1.428 175.807 174.900 -0.868 0.000 1.122 164 G CA 0.488 45.051 45.100 -0.895 0.000 0.769 164 G HN 0.999 nan 8.290 nan 0.000 0.549 165 G N -0.358 107.535 108.800 -1.512 0.000 2.985 165 G HA2 0.263 4.224 3.960 0.001 0.000 0.209 165 G HA3 0.263 4.224 3.960 0.001 0.000 0.209 165 G C 0.084 174.779 174.900 -0.341 0.000 1.165 165 G CA -0.614 43.934 45.100 -0.921 0.000 0.776 165 G HN 0.198 nan 8.290 nan 0.000 0.541 166 F N 2.155 122.094 119.950 -0.018 0.000 2.471 166 F HA 0.337 4.865 4.527 0.001 0.000 0.353 166 F C 1.425 177.261 175.800 0.059 0.000 1.113 166 F CA -1.096 56.968 58.000 0.107 0.000 1.262 166 F CB 1.116 40.199 39.000 0.138 0.000 1.146 166 F HN 0.024 nan 8.300 nan 0.000 0.578 167 S N 3.316 119.160 115.700 0.240 0.000 2.608 167 S HA 0.257 4.727 4.470 0.001 0.000 0.261 167 S C -1.912 172.689 174.600 0.002 0.000 1.314 167 S CA -1.041 57.210 58.200 0.084 0.000 0.992 167 S CB 1.086 64.300 63.200 0.024 0.000 0.935 167 S HN 0.370 nan 8.310 nan 0.000 0.564 168 P HA -0.175 nan 4.420 nan 0.000 0.216 168 P C 1.498 178.713 177.300 -0.141 0.000 1.157 168 P CA 1.728 64.758 63.100 -0.118 0.000 0.880 168 P CB -0.002 31.642 31.700 -0.093 0.000 0.791 169 E N -0.206 119.920 120.200 -0.125 0.000 2.077 169 E HA -0.162 4.188 4.350 0.001 0.000 0.193 169 E C 1.940 178.449 176.600 -0.151 0.000 0.989 169 E CA 1.634 57.951 56.400 -0.138 0.000 0.800 169 E CB -1.153 28.456 29.700 -0.152 0.000 0.746 169 E HN 0.080 nan 8.360 nan 0.000 0.452 170 A N -0.007 122.736 122.820 -0.128 0.000 1.972 170 A HA -0.104 4.216 4.320 0.001 0.000 0.219 170 A C 2.468 179.872 177.584 -0.299 0.000 1.169 170 A CA 1.505 53.419 52.037 -0.204 0.000 0.635 170 A CB -0.606 18.334 19.000 -0.100 0.000 0.810 170 A HN 0.210 nan 8.150 nan 0.000 0.446 171 V N -0.286 119.475 119.914 -0.255 0.000 2.307 171 V HA -0.205 3.915 4.120 0.001 0.000 0.245 171 V C 3.059 178.976 176.094 -0.295 0.000 1.045 171 V CA 1.833 63.927 62.300 -0.343 0.000 1.024 171 V CB -1.155 30.356 31.823 -0.519 0.000 0.651 171 V HN 0.604 nan 8.190 nan 0.000 0.449 172 A N 0.563 123.240 122.820 -0.239 0.000 1.877 172 A HA -0.118 4.203 4.320 0.001 0.000 0.216 172 A C 2.447 179.914 177.584 -0.196 0.000 1.186 172 A CA 2.028 53.950 52.037 -0.192 0.000 0.620 172 A CB -1.389 17.519 19.000 -0.154 0.000 0.822 172 A HN 0.527 nan 8.150 nan 0.000 0.443 173 G N -0.453 108.218 108.800 -0.216 0.000 2.513 173 G HA2 -0.307 3.653 3.960 0.001 0.000 0.219 173 G HA3 -0.307 3.653 3.960 0.001 0.000 0.219 173 G C 1.782 176.486 174.900 -0.327 0.000 1.160 173 G CA 1.234 46.194 45.100 -0.233 0.000 0.767 173 G HN 0.583 nan 8.290 nan 0.000 0.571 174 R N -0.340 119.895 120.500 -0.442 0.000 2.115 174 R HA 0.191 4.532 4.340 0.001 0.000 0.226 174 R C 2.609 178.712 176.300 -0.327 0.000 1.100 174 R CA 0.659 56.371 56.100 -0.645 0.000 0.980 174 R CB -0.269 29.661 30.300 -0.617 0.000 0.875 174 R HN 0.400 nan 8.270 nan 0.000 0.445 175 I N 0.435 120.876 120.570 -0.215 0.000 2.252 175 I HA -0.269 3.901 4.170 0.001 0.000 0.245 175 I C 2.057 178.131 176.117 -0.071 0.000 1.102 175 I CA 1.330 62.559 61.300 -0.119 0.000 1.385 175 I CB -0.165 37.761 38.000 -0.124 0.000 1.064 175 I HN 0.114 nan 8.210 nan 0.000 0.414 176 I N 0.617 121.134 120.570 -0.088 0.000 2.142 176 I HA -0.336 3.835 4.170 0.001 0.000 0.240 176 I C 2.262 178.391 176.117 0.020 0.000 1.078 176 I CA 1.864 63.140 61.300 -0.040 0.000 1.343 176 I CB -0.530 37.436 38.000 -0.056 0.000 1.046 176 I HN 0.252 nan 8.210 nan 0.000 0.405 177 D N 0.830 121.238 120.400 0.014 0.000 2.104 177 D HA -0.200 4.440 4.640 0.001 0.000 0.194 177 D C 2.198 178.697 176.300 0.331 0.000 0.994 177 D CA 1.910 56.006 54.000 0.160 0.000 0.830 177 D CB 0.062 40.974 40.800 0.186 0.000 0.959 177 D HN 0.340 nan 8.370 nan 0.000 0.452 178 S N -1.548 114.305 115.700 0.254 0.000 2.527 178 S HA 0.051 4.521 4.470 0.001 0.000 0.222 178 S C 0.961 175.657 174.600 0.160 0.000 0.985 178 S CA 0.498 58.812 58.200 0.189 0.000 0.921 178 S CB 0.012 63.230 63.200 0.030 0.000 0.772 178 S HN 0.114 nan 8.310 nan 0.000 0.529 179 S N 1.442 117.218 115.700 0.127 0.000 3.631 179 S HA -0.137 4.333 4.470 0.001 0.000 0.366 179 S C 0.089 174.715 174.600 0.043 0.000 0.993 179 S CA 0.514 58.762 58.200 0.081 0.000 1.167 179 S CB -2.115 61.152 63.200 0.111 0.000 0.909 179 S HN 0.768 nan 8.310 nan 0.000 0.478 180 S N 0.901 116.611 115.700 0.017 0.000 2.544 180 S HA 0.099 4.570 4.470 0.001 0.000 0.290 180 S C 1.397 175.998 174.600 0.002 0.000 1.276 180 S CA -0.383 57.821 58.200 0.007 0.000 1.075 180 S CB 0.703 63.905 63.200 0.003 0.000 0.849 180 S HN 0.506 nan 8.310 nan 0.000 0.494 181 R N 0.482 120.988 120.500 0.009 0.000 2.236 181 R HA 0.166 4.507 4.340 0.001 0.000 0.208 181 R C -0.051 176.254 176.300 0.008 0.000 1.036 181 R CA 0.488 56.591 56.100 0.005 0.000 1.001 181 R CB -0.051 30.256 30.300 0.012 0.000 0.896 181 R HN 0.465 nan 8.270 nan 0.000 0.464 182 L N -0.525 120.708 121.223 0.016 0.000 2.472 182 L HA 0.380 4.720 4.340 0.001 0.000 0.260 182 L C -1.543 175.347 176.870 0.034 0.000 0.963 182 L CA -0.829 54.029 54.840 0.031 0.000 0.829 182 L CB 2.501 44.585 42.059 0.041 0.000 1.348 182 L HN -0.342 nan 8.230 nan 0.000 0.408 183 V N 5.396 125.329 119.914 0.032 0.000 2.409 183 V HA 0.527 4.648 4.120 0.001 0.000 0.291 183 V C -0.140 176.007 176.094 0.088 0.000 1.020 183 V CA -0.406 61.920 62.300 0.043 0.000 0.848 183 V CB 1.543 33.363 31.823 -0.005 0.000 0.990 183 V HN 0.589 nan 8.190 nan 0.000 0.430 184 I N 4.161 124.813 120.570 0.136 0.000 2.321 184 I HA 0.625 4.795 4.170 0.001 0.000 0.291 184 I C 0.286 176.492 176.117 0.150 0.000 0.998 184 I CA 0.229 61.644 61.300 0.191 0.000 1.227 184 I CB 1.757 39.918 38.000 0.268 0.000 1.368 184 I HN 0.687 nan 8.210 nan 0.000 0.466 185 T N 3.989 118.622 114.554 0.132 0.000 2.681 185 T HA 0.833 5.183 4.350 0.001 0.000 0.296 185 T C -1.495 173.222 174.700 0.030 0.000 1.157 185 T CA -0.438 61.708 62.100 0.077 0.000 1.025 185 T CB 1.813 70.764 68.868 0.139 0.000 1.441 185 T HN 0.647 nan 8.240 nan 0.000 0.504 186 A N 0.548 123.354 122.820 -0.023 0.000 2.384 186 A HA 0.651 4.971 4.320 0.001 0.000 0.312 186 A C 0.807 178.410 177.584 0.031 0.000 1.113 186 A CA -0.064 51.961 52.037 -0.020 0.000 0.779 186 A CB 1.076 20.010 19.000 -0.111 0.000 1.307 186 A HN 0.903 nan 8.150 nan 0.000 0.436 187 D N 0.243 120.703 120.400 0.100 0.000 2.104 187 D HA -0.100 4.540 4.640 0.001 0.000 0.194 187 D C 0.268 176.592 176.300 0.041 0.000 0.994 187 D CA 1.816 55.889 54.000 0.121 0.000 0.830 187 D CB -0.018 40.911 40.800 0.215 0.000 0.959 187 D HN 0.652 nan 8.370 nan 0.000 0.452 188 E N -1.585 118.614 120.200 -0.003 0.000 2.390 188 E HA 0.618 4.968 4.350 0.001 0.000 0.277 188 E C -0.564 175.977 176.600 -0.097 0.000 0.939 188 E CA -0.851 55.518 56.400 -0.052 0.000 0.769 188 E CB 2.329 32.007 29.700 -0.037 0.000 1.251 188 E HN 0.190 nan 8.360 nan 0.000 0.450 189 G N 0.095 108.810 108.800 -0.141 0.000 2.488 189 G HA2 0.563 4.523 3.960 0.001 0.000 0.318 189 G HA3 0.563 4.523 3.960 0.001 0.000 0.318 189 G C -0.915 173.906 174.900 -0.132 0.000 1.188 189 G CA -0.373 44.634 45.100 -0.155 0.000 0.944 189 G HN 0.217 nan 8.290 nan 0.000 0.495 190 V N 0.162 120.001 119.914 -0.126 0.000 2.638 190 V HA 0.742 4.863 4.120 0.001 0.000 0.306 190 V C -0.089 175.894 176.094 -0.186 0.000 1.052 190 V CA -0.790 61.431 62.300 -0.133 0.000 0.885 190 V CB 1.765 33.544 31.823 -0.074 0.000 0.999 190 V HN 0.861 nan 8.190 nan 0.000 0.424 191 R N 3.578 123.928 120.500 -0.251 0.000 2.523 191 R HA 0.583 4.924 4.340 0.001 0.000 0.278 191 R C -0.012 175.995 176.300 -0.488 0.000 1.150 191 R CA 0.185 56.099 56.100 -0.310 0.000 0.987 191 R CB 1.595 31.749 30.300 -0.242 0.000 1.232 191 R HN 1.482 nan 8.270 nan 0.000 0.424 192 A N 2.642 125.017 122.820 -0.742 0.000 2.687 192 A HA -0.142 4.178 4.320 0.001 0.000 0.299 192 A C 1.076 177.638 177.584 -1.704 0.000 1.497 192 A CA 1.642 52.684 52.037 -1.659 0.000 0.751 192 A CB -2.134 16.228 19.000 -1.063 0.000 1.048 192 A HN 2.050 nan 8.150 nan 0.000 0.464 193 G N -2.101 105.937 108.800 -1.269 0.000 2.166 193 G HA2 -0.292 3.668 3.960 0.001 0.000 0.260 193 G HA3 -0.292 3.668 3.960 0.001 0.000 0.260 193 G C 0.164 174.892 174.900 -0.287 0.000 0.986 193 G CA 1.189 45.971 45.100 -0.531 0.000 0.683 193 G HN 1.274 nan 8.290 nan 0.000 0.527 194 R N -0.487 119.818 120.500 -0.326 0.000 2.803 194 R HA 0.597 4.937 4.340 0.001 0.000 0.276 194 R C -0.402 175.799 176.300 -0.165 0.000 0.978 194 R CA -0.623 55.355 56.100 -0.204 0.000 0.939 194 R CB 1.534 31.707 30.300 -0.212 0.000 1.179 194 R HN 0.119 nan 8.270 nan 0.000 0.472 195 S N 2.287 117.918 115.700 -0.114 0.000 2.528 195 S HA 0.296 4.767 4.470 0.001 0.000 0.277 195 S C 0.075 174.609 174.600 -0.109 0.000 1.297 195 S CA -0.429 57.713 58.200 -0.097 0.000 1.052 195 S CB 0.295 63.458 63.200 -0.062 0.000 0.917 195 S HN 0.248 nan 8.310 nan 0.000 0.492 196 I N 6.299 126.793 120.570 -0.128 0.000 2.336 196 I HA 0.314 4.484 4.170 0.001 0.000 0.292 196 I C -2.133 173.919 176.117 -0.109 0.000 0.991 196 I CA -3.067 58.150 61.300 -0.139 0.000 1.227 196 I CB 0.957 38.833 38.000 -0.206 0.000 1.366 196 I HN 0.325 nan 8.210 nan 0.000 0.466 197 P HA 0.247 nan 4.420 nan 0.000 0.219 197 P C 1.034 178.327 177.300 -0.012 0.000 1.832 197 P CA -0.229 62.851 63.100 -0.033 0.000 1.014 197 P CB 0.256 31.948 31.700 -0.014 0.000 1.939 198 L N 0.546 121.733 121.223 -0.061 0.000 1.971 198 L HA -0.271 4.069 4.340 0.001 0.000 0.215 198 L C 2.570 179.516 176.870 0.126 0.000 1.072 198 L CA 2.026 56.844 54.840 -0.035 0.000 0.758 198 L CB -0.850 41.067 42.059 -0.236 0.000 0.889 198 L HN 0.175 nan 8.230 nan 0.000 0.433 199 K N 0.958 121.395 120.400 0.062 0.000 2.025 199 K HA -0.227 4.093 4.320 0.001 0.000 0.207 199 K C 2.095 178.717 176.600 0.037 0.000 1.049 199 K CA 1.736 58.057 56.287 0.056 0.000 0.933 199 K CB -0.235 32.292 32.500 0.045 0.000 0.714 199 K HN 0.062 nan 8.250 nan 0.000 0.438 200 K N 0.147 120.568 120.400 0.035 0.000 2.113 200 K HA -0.186 4.135 4.320 0.001 0.000 0.208 200 K C 1.634 178.241 176.600 0.011 0.000 1.047 200 K CA 1.868 58.166 56.287 0.017 0.000 0.928 200 K CB -0.179 32.332 32.500 0.017 0.000 0.716 200 K HN 0.179 nan 8.250 nan 0.000 0.446 201 N N 0.289 119.017 118.700 0.047 0.000 2.120 201 N HA -0.139 4.602 4.740 0.001 0.000 0.188 201 N C 1.730 177.216 175.510 -0.040 0.000 1.024 201 N CA 1.356 54.427 53.050 0.036 0.000 0.852 201 N CB -0.365 38.213 38.487 0.152 0.000 1.003 201 N HN 0.019 nan 8.380 nan 0.000 0.424 202 V N 1.644 121.545 119.914 -0.021 0.000 2.295 202 V HA -0.198 3.922 4.120 0.001 0.000 0.246 202 V C 1.668 177.702 176.094 -0.101 0.000 1.049 202 V CA 1.601 63.839 62.300 -0.103 0.000 1.024 202 V CB -0.534 31.262 31.823 -0.046 0.000 0.648 202 V HN 0.184 nan 8.190 nan 0.000 0.447 203 D N 0.242 120.597 120.400 -0.075 0.000 2.116 203 D HA -0.190 4.450 4.640 0.001 0.000 0.193 203 D C 1.931 178.185 176.300 -0.077 0.000 0.998 203 D CA 1.676 55.627 54.000 -0.081 0.000 0.836 203 D CB -0.357 40.408 40.800 -0.060 0.000 0.951 203 D HN 0.431 nan 8.370 nan 0.000 0.449 204 D N 0.112 120.471 120.400 -0.067 0.000 2.097 204 D HA -0.068 4.572 4.640 0.001 0.000 0.197 204 D C 2.037 178.283 176.300 -0.090 0.000 0.984 204 D CA 1.328 55.287 54.000 -0.069 0.000 0.826 204 D CB -0.444 40.321 40.800 -0.059 0.000 0.973 204 D HN 0.150 nan 8.370 nan 0.000 0.460 205 A N 0.700 123.451 122.820 -0.115 0.000 1.978 205 A HA -0.128 4.193 4.320 0.001 0.000 0.220 205 A C 2.235 179.745 177.584 -0.123 0.000 1.170 205 A CA 0.987 52.940 52.037 -0.139 0.000 0.636 205 A CB -0.665 18.217 19.000 -0.197 0.000 0.810 205 A HN 0.252 nan 8.150 nan 0.000 0.448 206 L N -1.626 119.528 121.223 -0.115 0.000 2.558 206 L HA 0.034 4.374 4.340 0.001 0.000 0.225 206 L C 1.860 178.676 176.870 -0.090 0.000 1.128 206 L CA 0.493 55.269 54.840 -0.106 0.000 0.868 206 L CB -0.208 41.782 42.059 -0.115 0.000 1.006 206 L HN 0.311 nan 8.230 nan 0.000 0.454 207 K N -0.125 120.226 120.400 -0.081 0.000 2.432 207 K HA -0.021 4.299 4.320 0.001 0.000 0.196 207 K C 0.847 177.409 176.600 -0.062 0.000 1.038 207 K CA -0.103 56.144 56.287 -0.067 0.000 0.986 207 K CB -0.017 32.448 32.500 -0.058 0.000 0.782 207 K HN 0.154 nan 8.250 nan 0.000 0.485 208 N N 2.208 120.866 118.700 -0.071 0.000 2.440 208 N HA -0.033 4.708 4.740 0.001 0.000 0.265 208 N C -1.782 173.693 175.510 -0.058 0.000 1.239 208 N CA -0.930 52.080 53.050 -0.066 0.000 0.909 208 N CB 1.059 39.499 38.487 -0.079 0.000 1.066 208 N HN -0.024 nan 8.380 nan 0.000 0.474 209 P HA -0.074 nan 4.420 nan 0.000 0.222 209 P C 0.304 177.580 177.300 -0.040 0.000 1.147 209 P CA 0.985 64.061 63.100 -0.041 0.000 0.790 209 P CB 0.393 32.074 31.700 -0.032 0.000 0.780 210 N N -0.258 118.417 118.700 -0.042 0.000 2.461 210 N HA 0.026 4.767 4.740 0.001 0.000 0.188 210 N C 0.153 175.637 175.510 -0.043 0.000 1.134 210 N CA 0.274 53.301 53.050 -0.038 0.000 0.878 210 N CB 0.413 38.879 38.487 -0.035 0.000 0.972 210 N HN 0.083 nan 8.380 nan 0.000 0.456 211 V N 2.007 121.888 119.914 -0.054 0.000 2.389 211 V HA 0.100 4.220 4.120 0.001 0.000 0.264 211 V C 1.251 177.311 176.094 -0.055 0.000 1.049 211 V CA 0.252 62.516 62.300 -0.060 0.000 0.932 211 V CB 0.941 32.718 31.823 -0.078 0.000 1.011 211 V HN 0.293 nan 8.190 nan 0.000 0.475 212 T N -1.053 113.474 114.554 -0.045 0.000 2.969 212 T HA -0.021 4.329 4.350 0.001 0.000 0.258 212 T C 1.664 176.338 174.700 -0.043 0.000 0.962 212 T CA 0.525 62.600 62.100 -0.043 0.000 0.903 212 T CB 0.213 69.062 68.868 -0.032 0.000 1.177 212 T HN 0.615 nan 8.240 nan 0.000 0.511 213 S N 1.289 116.968 115.700 -0.035 0.000 2.436 213 S HA 0.166 4.637 4.470 0.001 0.000 0.228 213 S C 0.729 175.304 174.600 -0.042 0.000 1.014 213 S CA -0.141 58.042 58.200 -0.027 0.000 0.950 213 S CB -0.672 62.524 63.200 -0.006 0.000 0.784 213 S HN 0.351 nan 8.310 nan 0.000 0.504 214 V N 2.659 122.536 119.914 -0.061 0.000 2.488 214 V HA 0.272 4.392 4.120 0.001 0.000 0.277 214 V C 0.781 176.803 176.094 -0.119 0.000 1.046 214 V CA -0.131 62.124 62.300 -0.075 0.000 0.986 214 V CB 0.990 32.764 31.823 -0.081 0.000 0.989 214 V HN 0.423 nan 8.190 nan 0.000 0.475 215 E N 2.379 122.499 120.200 -0.135 0.000 2.290 215 E HA 0.186 4.537 4.350 0.001 0.000 0.197 215 E C 0.076 176.333 176.600 -0.573 0.000 0.948 215 E CA 0.303 56.529 56.400 -0.290 0.000 0.895 215 E CB 0.488 30.073 29.700 -0.191 0.000 0.865 215 E HN 0.726 nan 8.360 nan 0.000 0.486 216 H N -0.712 118.308 119.070 -0.084 0.000 2.928 216 H HA 0.426 4.982 4.556 0.001 0.000 0.371 216 H C -1.150 174.113 175.328 -0.109 0.000 1.186 216 H CA -0.731 55.253 56.048 -0.107 0.000 1.134 216 H CB 2.135 31.843 29.762 -0.090 0.000 1.824 216 H HN -0.191 nan 8.280 nan 0.000 0.554 217 V N 3.479 123.381 119.914 -0.021 0.000 2.443 217 V HA 0.286 4.407 4.120 0.001 0.000 0.293 217 V C 0.296 176.354 176.094 -0.060 0.000 1.021 217 V CA -0.551 61.707 62.300 -0.070 0.000 0.848 217 V CB 1.453 33.173 31.823 -0.172 0.000 0.998 217 V HN 0.480 nan 8.190 nan 0.000 0.424 218 I N 5.078 125.676 120.570 0.048 0.000 2.342 218 I HA 0.426 4.597 4.170 0.001 0.000 0.291 218 I C -0.490 175.736 176.117 0.182 0.000 1.010 218 I CA -0.504 60.880 61.300 0.140 0.000 1.308 218 I CB 1.647 39.791 38.000 0.241 0.000 1.400 218 I HN 0.285 nan 8.210 nan 0.000 0.488 219 V N 7.260 127.301 119.914 0.212 0.000 2.407 219 V HA 0.282 4.402 4.120 0.001 0.000 0.291 219 V C -0.209 176.145 176.094 0.433 0.000 1.018 219 V CA -0.699 61.728 62.300 0.212 0.000 0.842 219 V CB 1.708 33.544 31.823 0.021 0.000 0.996 219 V HN 0.435 nan 8.190 nan 0.000 0.426 220 L N 4.590 125.988 121.223 0.292 0.000 2.349 220 L HA 0.411 4.751 4.340 0.001 0.000 0.275 220 L C 0.476 177.487 176.870 0.236 0.000 1.115 220 L CA 0.234 55.172 54.840 0.163 0.000 0.820 220 L CB 0.755 42.644 42.059 -0.282 0.000 1.135 220 L HN 0.642 nan 8.230 nan 0.000 0.445 221 K N 3.970 124.511 120.400 0.235 0.000 2.150 221 K HA 0.117 4.437 4.320 0.001 0.000 0.261 221 K C 0.808 177.388 176.600 -0.032 0.000 1.127 221 K CA -0.264 56.108 56.287 0.141 0.000 0.989 221 K CB 0.317 32.741 32.500 -0.126 0.000 1.475 221 K HN 0.672 nan 8.250 nan 0.000 0.391 222 R N 1.342 121.823 120.500 -0.033 0.000 2.057 222 R HA -0.044 4.296 4.340 0.001 0.000 0.224 222 R C 1.755 178.023 176.300 -0.053 0.000 1.136 222 R CA 2.378 58.423 56.100 -0.092 0.000 0.968 222 R CB -0.342 29.893 30.300 -0.109 0.000 0.863 222 R HN 0.559 nan 8.270 nan 0.000 0.433 223 T N -4.056 110.486 114.554 -0.021 0.000 3.015 223 T HA 0.252 4.602 4.350 0.001 0.000 0.250 223 T C 1.350 176.041 174.700 -0.014 0.000 1.057 223 T CA 0.390 62.481 62.100 -0.014 0.000 1.066 223 T CB 0.237 69.100 68.868 -0.008 0.000 0.959 223 T HN 0.443 nan 8.240 nan 0.000 0.488 224 G N 1.219 110.014 108.800 -0.007 0.000 2.153 224 G HA2 -0.256 3.705 3.960 0.001 0.000 0.252 224 G HA3 -0.256 3.705 3.960 0.001 0.000 0.252 224 G C 0.199 175.105 174.900 0.010 0.000 0.994 224 G CA 0.271 45.355 45.100 -0.025 0.000 0.698 224 G HN 0.733 nan 8.290 nan 0.000 0.521 225 S N 0.391 116.114 115.700 0.039 0.000 2.600 225 S HA 0.389 4.859 4.470 0.001 0.000 0.265 225 S C 0.271 174.917 174.600 0.075 0.000 1.325 225 S CA -0.456 57.770 58.200 0.043 0.000 1.002 225 S CB 0.670 63.891 63.200 0.035 0.000 0.921 225 S HN 0.317 nan 8.310 nan 0.000 0.554 226 D N 2.005 122.441 120.400 0.061 0.000 2.401 226 D HA 0.308 4.948 4.640 0.001 0.000 0.254 226 D C 0.124 176.483 176.300 0.098 0.000 1.192 226 D CA 0.242 54.288 54.000 0.076 0.000 0.885 226 D CB 0.012 40.843 40.800 0.052 0.000 1.147 226 D HN 0.432 nan 8.370 nan 0.000 0.478 227 I N -1.591 119.065 120.570 0.144 0.000 2.892 227 I HA 0.463 4.634 4.170 0.001 0.000 0.306 227 I C -0.449 175.773 176.117 0.175 0.000 1.078 227 I CA -1.108 60.285 61.300 0.155 0.000 1.032 227 I CB 2.269 40.387 38.000 0.197 0.000 1.229 227 I HN -0.125 nan 8.210 nan 0.000 0.435 228 D N 2.884 123.368 120.400 0.139 0.000 2.345 228 D HA 0.143 4.784 4.640 0.001 0.000 0.247 228 D C -1.413 175.016 176.300 0.214 0.000 1.108 228 D CA 0.316 54.400 54.000 0.141 0.000 0.894 228 D CB 1.612 42.452 40.800 0.067 0.000 1.203 228 D HN 0.538 nan 8.370 nan 0.000 0.430 229 W N 1.774 123.058 121.300 -0.026 0.000 2.785 229 W HA 0.220 4.880 4.660 0.001 0.000 0.333 229 W C -0.889 175.600 176.519 -0.049 0.000 1.062 229 W CA -0.716 56.592 57.345 -0.062 0.000 1.233 229 W CB 1.853 31.289 29.460 -0.040 0.000 1.413 229 W HN 0.286 nan 8.180 nan 0.000 0.489 230 Q N 4.320 123.883 119.800 -0.395 0.000 2.425 230 Q HA 0.114 4.454 4.340 0.001 0.000 0.254 230 Q C -0.307 175.517 176.000 -0.293 0.000 1.032 230 Q CA -0.412 55.240 55.803 -0.252 0.000 0.798 230 Q CB 1.143 29.735 28.738 -0.243 0.000 1.210 230 Q HN 0.431 nan 8.270 nan 0.000 0.491 231 E N 2.901 123.085 120.200 -0.027 0.000 2.608 231 E HA 0.119 4.469 4.350 0.001 0.000 0.259 231 E C 0.905 177.504 176.600 -0.003 0.000 0.951 231 E CA 2.126 58.574 56.400 0.080 0.000 0.945 231 E CB 0.174 29.960 29.700 0.144 0.000 0.916 231 E HN 0.810 nan 8.360 nan 0.000 0.477 232 G N 5.093 113.914 108.800 0.035 0.000 3.079 232 G HA2 -0.417 3.544 3.960 0.001 0.000 0.214 232 G HA3 -0.417 3.544 3.960 0.001 0.000 0.214 232 G C 1.332 176.248 174.900 0.028 0.000 1.335 232 G CA 0.436 45.561 45.100 0.041 0.000 0.822 232 G HN 0.589 nan 8.290 nan 0.000 0.545 233 R N 1.228 121.655 120.500 -0.122 0.000 2.062 233 R HA 0.008 4.349 4.340 0.001 0.000 0.231 233 R C -0.073 176.109 176.300 -0.197 0.000 1.136 233 R CA 1.621 57.603 56.100 -0.196 0.000 0.948 233 R CB -0.303 29.840 30.300 -0.262 0.000 0.845 233 R HN 0.435 nan 8.270 nan 0.000 0.430 234 D N 0.809 120.906 120.400 -0.505 0.000 2.264 234 D HA 0.261 4.902 4.640 0.001 0.000 0.250 234 D C -0.754 175.237 176.300 -0.516 0.000 1.113 234 D CA 0.126 53.565 54.000 -0.935 0.000 0.871 234 D CB 1.372 40.866 40.800 -2.177 0.000 1.167 234 D HN 0.127 nan 8.370 nan 0.000 0.447 235 L N 1.698 122.788 121.223 -0.221 0.000 2.409 235 L HA 0.419 4.760 4.340 0.001 0.000 0.272 235 L C -0.488 176.555 176.870 0.288 0.000 0.980 235 L CA -1.086 53.852 54.840 0.164 0.000 0.826 235 L CB 1.531 43.628 42.059 0.063 0.000 1.268 235 L HN 0.272 nan 8.230 nan 0.000 0.407 236 W N 2.597 124.205 121.300 0.513 0.000 2.223 236 W HA -0.026 4.634 4.660 0.001 0.000 0.334 236 W C 1.167 177.862 176.519 0.294 0.000 1.334 236 W CA -0.128 57.431 57.345 0.358 0.000 1.246 236 W CB 0.628 30.179 29.460 0.151 0.000 1.184 236 W HN 0.660 nan 8.180 nan 0.000 0.563 237 W N 4.336 125.893 121.300 0.429 0.000 2.333 237 W HA -0.235 4.425 4.660 0.001 0.000 0.316 237 W C 1.981 178.628 176.519 0.213 0.000 1.215 237 W CA 1.731 59.242 57.345 0.276 0.000 1.278 237 W CB -0.461 29.113 29.460 0.191 0.000 1.154 237 W HN 0.489 nan 8.180 nan 0.000 0.486 238 R N 0.551 121.376 120.500 0.541 0.000 2.091 238 R HA -0.193 4.147 4.340 0.001 0.000 0.238 238 R C 1.852 178.253 176.300 0.168 0.000 1.136 238 R CA 2.301 58.591 56.100 0.317 0.000 0.959 238 R CB -0.634 29.772 30.300 0.176 0.000 0.856 238 R HN -0.011 nan 8.270 nan 0.000 0.437 239 D N 0.445 120.963 120.400 0.197 0.000 2.116 239 D HA -0.193 4.447 4.640 0.001 0.000 0.193 239 D C 1.926 178.268 176.300 0.069 0.000 0.998 239 D CA 1.436 55.520 54.000 0.140 0.000 0.836 239 D CB -0.174 40.760 40.800 0.223 0.000 0.951 239 D HN 0.266 nan 8.370 nan 0.000 0.449 240 L N -0.082 121.168 121.223 0.045 0.000 2.044 240 L HA -0.003 4.338 4.340 0.001 0.000 0.205 240 L C 2.541 179.350 176.870 -0.102 0.000 1.075 240 L CA 0.487 55.292 54.840 -0.059 0.000 0.747 240 L CB -0.260 41.726 42.059 -0.122 0.000 0.903 240 L HN -0.004 nan 8.230 nan 0.000 0.435 241 I N -0.007 120.485 120.570 -0.130 0.000 2.286 241 I HA -0.268 3.902 4.170 0.001 0.000 0.248 241 I C 2.443 178.542 176.117 -0.030 0.000 1.115 241 I CA 1.350 62.583 61.300 -0.112 0.000 1.392 241 I CB 0.047 37.950 38.000 -0.161 0.000 1.065 241 I HN 0.309 nan 8.210 nan 0.000 0.418 242 E N 0.579 120.781 120.200 0.003 0.000 2.153 242 E HA -0.251 4.100 4.350 0.001 0.000 0.194 242 E C 2.163 178.763 176.600 -0.002 0.000 0.988 242 E CA 1.447 57.855 56.400 0.014 0.000 0.811 242 E CB -0.117 29.599 29.700 0.026 0.000 0.746 242 E HN 0.530 nan 8.360 nan 0.000 0.466 243 K N 0.684 121.074 120.400 -0.015 0.000 2.426 243 K HA 0.350 4.671 4.320 0.001 0.000 0.193 243 K C 0.687 177.268 176.600 -0.032 0.000 1.028 243 K CA 0.781 57.056 56.287 -0.021 0.000 1.047 243 K CB 0.205 32.692 32.500 -0.022 0.000 0.821 243 K HN 0.170 nan 8.250 nan 0.000 0.513 244 A N 0.155 122.949 122.820 -0.043 0.000 2.294 244 A HA 0.624 4.945 4.320 0.001 0.000 0.330 244 A C 0.322 177.892 177.584 -0.023 0.000 1.133 244 A CA -0.031 51.976 52.037 -0.050 0.000 0.836 244 A CB 1.015 19.961 19.000 -0.089 0.000 1.190 244 A HN 0.362 nan 8.150 nan 0.000 0.492 245 S N 0.905 116.597 115.700 -0.014 0.000 2.545 245 S HA 0.412 4.882 4.470 0.001 0.000 0.275 245 S C -1.520 173.091 174.600 0.018 0.000 1.299 245 S CA -1.269 56.935 58.200 0.007 0.000 1.048 245 S CB 0.669 63.877 63.200 0.013 0.000 0.938 245 S HN 0.484 nan 8.310 nan 0.000 0.496 246 P HA 0.077 nan 4.420 nan 0.000 0.245 246 P C -0.509 176.829 177.300 0.064 0.000 1.212 246 P CA 0.381 63.506 63.100 0.042 0.000 0.774 246 P CB 0.043 31.775 31.700 0.053 0.000 0.999 247 E N 1.140 121.378 120.200 0.063 0.000 2.130 247 E HA 0.209 4.559 4.350 0.001 0.000 0.284 247 E C -0.190 176.472 176.600 0.103 0.000 1.018 247 E CA -0.003 56.442 56.400 0.075 0.000 0.817 247 E CB 0.859 30.586 29.700 0.044 0.000 1.078 247 E HN 0.308 nan 8.360 nan 0.000 0.396 248 H N 2.484 121.553 119.070 -0.002 0.000 2.947 248 H HA 0.151 4.707 4.556 0.001 0.000 0.354 248 H C -1.113 174.218 175.328 0.005 0.000 1.085 248 H CA -0.541 55.496 56.048 -0.017 0.000 1.253 248 H CB 1.461 31.193 29.762 -0.050 0.000 1.757 248 H HN 0.314 nan 8.280 nan 0.000 0.523 249 Q N 5.320 124.837 119.800 -0.470 0.000 2.314 249 Q HA 0.299 4.640 4.340 0.001 0.000 0.259 249 Q C -2.368 173.477 176.000 -0.257 0.000 0.951 249 Q CA -1.926 53.733 55.803 -0.239 0.000 0.909 249 Q CB 2.187 30.818 28.738 -0.177 0.000 1.236 249 Q HN 0.489 nan 8.270 nan 0.000 0.444 250 P HA 0.145 nan 4.420 nan 0.000 0.280 250 P C -0.427 176.885 177.300 0.021 0.000 1.244 250 P CA -0.192 62.959 63.100 0.083 0.000 0.784 250 P CB 1.344 33.100 31.700 0.094 0.000 0.913 251 E N 1.032 121.256 120.200 0.039 0.000 2.250 251 E HA 0.452 4.802 4.350 0.001 0.000 0.269 251 E C -0.018 176.593 176.600 0.018 0.000 1.018 251 E CA -0.954 55.456 56.400 0.016 0.000 0.873 251 E CB 1.463 31.175 29.700 0.021 0.000 1.134 251 E HN 0.475 nan 8.360 nan 0.000 0.403 252 A N 3.256 126.086 122.820 0.016 0.000 2.488 252 A HA 0.244 4.564 4.320 0.001 0.000 0.249 252 A C 0.030 177.627 177.584 0.022 0.000 1.083 252 A CA 0.061 52.111 52.037 0.021 0.000 0.768 252 A CB -0.013 19.009 19.000 0.037 0.000 1.017 252 A HN 0.408 nan 8.150 nan 0.000 0.496 253 M N 2.892 122.500 119.600 0.014 0.000 2.364 253 M HA 0.257 4.738 4.480 0.001 0.000 0.334 253 M C 0.318 176.645 176.300 0.045 0.000 1.107 253 M CA -0.594 54.716 55.300 0.016 0.000 0.988 253 M CB 1.162 33.755 32.600 -0.011 0.000 1.673 253 M HN 0.860 nan 8.290 nan 0.000 0.441 254 N N 1.100 119.837 118.700 0.062 0.000 2.441 254 N HA 0.104 4.845 4.740 0.001 0.000 0.251 254 N C 0.811 176.393 175.510 0.120 0.000 1.242 254 N CA 0.383 53.497 53.050 0.105 0.000 0.898 254 N CB 1.280 39.815 38.487 0.080 0.000 1.100 254 N HN 0.777 nan 8.380 nan 0.000 0.443 255 A N 3.391 126.346 122.820 0.225 0.000 1.986 255 A HA -0.155 4.166 4.320 0.001 0.000 0.220 255 A C 1.442 179.123 177.584 0.162 0.000 1.171 255 A CA 1.429 53.629 52.037 0.272 0.000 0.640 255 A CB -0.134 19.169 19.000 0.504 0.000 0.811 255 A HN 0.785 nan 8.150 nan 0.000 0.451 256 E N 0.703 120.972 120.200 0.114 0.000 2.463 256 E HA 0.060 4.410 4.350 0.001 0.000 0.193 256 E C -0.743 175.861 176.600 0.007 0.000 1.041 256 E CA -0.212 56.220 56.400 0.053 0.000 0.879 256 E CB -0.100 29.622 29.700 0.037 0.000 0.997 256 E HN 0.491 nan 8.360 nan 0.000 0.478 257 D N 3.081 123.488 120.400 0.011 0.000 2.458 257 D HA 0.037 4.677 4.640 0.001 0.000 0.243 257 D C -2.186 174.082 176.300 -0.053 0.000 1.146 257 D CA -1.300 52.691 54.000 -0.016 0.000 0.877 257 D CB 0.704 41.499 40.800 -0.008 0.000 1.176 257 D HN -0.013 nan 8.370 nan 0.000 0.461 258 P HA -0.059 nan 4.420 nan 0.000 0.265 258 P C 0.361 177.573 177.300 -0.147 0.000 1.193 258 P CA -0.246 62.784 63.100 -0.118 0.000 0.765 258 P CB 1.032 32.683 31.700 -0.082 0.000 0.823 259 L N 4.489 125.569 121.223 -0.238 0.000 2.453 259 L HA 0.384 4.725 4.340 0.001 0.000 0.190 259 L C 0.279 176.992 176.870 -0.262 0.000 1.093 259 L CA 1.203 55.894 54.840 -0.248 0.000 0.834 259 L CB -0.173 41.709 42.059 -0.294 0.000 1.090 259 L HN 0.415 nan 8.230 nan 0.000 0.489 260 F N -1.310 118.454 119.950 -0.310 0.000 2.662 260 F HA 0.711 5.238 4.527 0.001 0.000 0.312 260 F C -1.079 174.636 175.800 -0.140 0.000 1.113 260 F CA -1.749 56.068 58.000 -0.306 0.000 0.951 260 F CB 0.633 39.423 39.000 -0.351 0.000 1.344 260 F HN -0.215 nan 8.300 nan 0.000 0.462 261 I N 2.363 123.054 120.570 0.200 0.000 2.509 261 I HA 0.516 4.687 4.170 0.001 0.000 0.293 261 I C -1.273 174.992 176.117 0.246 0.000 1.020 261 I CA -0.774 60.561 61.300 0.058 0.000 1.088 261 I CB 2.134 40.000 38.000 -0.223 0.000 1.267 261 I HN 0.599 nan 8.210 nan 0.000 0.430 262 L N 6.360 127.680 121.223 0.162 0.000 2.406 262 L HA 0.448 4.788 4.340 0.001 0.000 0.270 262 L C -1.203 175.703 176.870 0.060 0.000 0.982 262 L CA -0.668 54.275 54.840 0.173 0.000 0.843 262 L CB 1.345 43.532 42.059 0.212 0.000 1.225 262 L HN 0.453 nan 8.230 nan 0.000 0.412 263 Y N 2.409 122.818 120.300 0.181 0.000 2.544 263 Y HA 0.166 4.716 4.550 0.001 0.000 0.330 263 Y C 0.677 176.706 175.900 0.216 0.000 1.136 263 Y CA 0.515 58.709 58.100 0.158 0.000 1.417 263 Y CB 0.779 39.280 38.460 0.068 0.000 1.229 263 Y HN 0.385 nan 8.280 nan 0.000 0.532 264 T N 2.489 117.223 114.554 0.300 0.000 2.921 264 T HA 0.281 4.632 4.350 0.001 0.000 0.297 264 T C -0.362 174.472 174.700 0.222 0.000 1.013 264 T CA -1.033 61.222 62.100 0.258 0.000 0.990 264 T CB 1.185 70.184 68.868 0.219 0.000 1.023 264 T HN 0.459 nan 8.240 nan 0.000 0.447 265 S N 1.562 117.376 115.700 0.189 0.000 2.572 265 S HA 0.618 5.088 4.470 0.001 0.000 0.279 265 S C 0.748 175.413 174.600 0.108 0.000 1.341 265 S CA -0.395 57.889 58.200 0.141 0.000 1.043 265 S CB 0.692 63.962 63.200 0.117 0.000 0.887 265 S HN 0.947 nan 8.310 nan 0.000 0.516 266 G N 0.354 109.203 108.800 0.080 0.000 3.022 266 G HA2 0.442 4.403 3.960 0.001 0.000 0.284 266 G HA3 0.442 4.403 3.960 0.001 0.000 0.284 266 G C 0.596 175.505 174.900 0.015 0.000 1.375 266 G CA -0.431 44.692 45.100 0.038 0.000 0.902 266 G HN 0.536 nan 8.290 nan 0.000 0.538 267 S N -1.395 114.293 115.700 -0.020 0.000 2.423 267 S HA 0.099 4.570 4.470 0.001 0.000 0.231 267 S C 0.857 175.452 174.600 -0.009 0.000 1.014 267 S CA 1.220 59.409 58.200 -0.018 0.000 0.965 267 S CB -0.106 63.069 63.200 -0.043 0.000 0.785 267 S HN 0.537 nan 8.310 nan 0.000 0.495 268 T N 1.190 115.736 114.554 -0.014 0.000 2.841 268 T HA 0.600 4.950 4.350 0.001 0.000 0.285 268 T C 0.180 174.889 174.700 0.015 0.000 0.991 268 T CA -0.004 62.093 62.100 -0.005 0.000 0.966 268 T CB 1.370 70.223 68.868 -0.025 0.000 0.962 268 T HN 0.495 nan 8.240 nan 0.000 0.438 269 G N 3.640 112.455 108.800 0.024 0.000 2.641 269 G HA2 -0.181 3.779 3.960 0.001 0.000 0.254 269 G HA3 -0.181 3.779 3.960 0.001 0.000 0.254 269 G C -0.530 174.400 174.900 0.049 0.000 1.315 269 G CA -0.601 44.520 45.100 0.035 0.000 0.907 269 G HN 0.682 nan 8.290 nan 0.000 0.572 270 K N 0.978 121.409 120.400 0.052 0.000 2.180 270 K HA 0.402 4.723 4.320 0.001 0.000 0.251 270 K C -2.032 174.626 176.600 0.097 0.000 1.014 270 K CA -1.616 54.706 56.287 0.058 0.000 0.913 270 K CB -0.331 32.189 32.500 0.033 0.000 1.008 270 K HN 0.301 nan 8.250 nan 0.000 0.490 271 P HA 0.007 nan 4.420 nan 0.000 0.265 271 P C -0.361 177.128 177.300 0.316 0.000 1.187 271 P CA 0.415 63.635 63.100 0.200 0.000 0.766 271 P CB 0.489 32.310 31.700 0.202 0.000 0.820 272 K N 1.523 122.095 120.400 0.288 0.000 2.156 272 K HA 0.474 4.794 4.320 0.001 0.000 0.250 272 K C 0.529 177.169 176.600 0.066 0.000 0.955 272 K CA -0.697 55.746 56.287 0.259 0.000 0.855 272 K CB 1.595 34.212 32.500 0.195 0.000 1.101 272 K HN 0.505 nan 8.250 nan 0.000 0.434 273 G N 1.190 109.877 108.800 -0.189 0.000 2.621 273 G HA2 0.250 4.210 3.960 0.001 0.000 0.306 273 G HA3 0.250 4.210 3.960 0.001 0.000 0.306 273 G C -0.098 174.691 174.900 -0.185 0.000 0.893 273 G CA -0.412 44.309 45.100 -0.633 0.000 1.486 273 G HN 0.225 nan 8.290 nan 0.000 0.477 274 V N 3.972 123.830 119.914 -0.092 0.000 2.485 274 V HA 0.086 4.206 4.120 0.001 0.000 0.287 274 V C 0.598 176.605 176.094 -0.145 0.000 1.022 274 V CA -0.045 62.234 62.300 -0.034 0.000 1.067 274 V CB 0.991 32.863 31.823 0.082 0.000 0.967 274 V HN 0.592 nan 8.190 nan 0.000 0.479 275 L N 6.249 127.305 121.223 -0.278 0.000 2.296 275 L HA 0.554 4.895 4.340 0.001 0.000 0.286 275 L C -0.325 176.181 176.870 -0.608 0.000 1.023 275 L CA -0.412 54.217 54.840 -0.351 0.000 0.812 275 L CB 0.749 42.684 42.059 -0.207 0.000 1.223 275 L HN 0.619 nan 8.230 nan 0.000 0.421 276 H N 2.917 121.605 119.070 -0.637 0.000 2.457 276 H HA 0.352 4.909 4.556 0.001 0.000 0.335 276 H C -0.049 174.926 175.328 -0.589 0.000 1.115 276 H CA -0.247 55.374 56.048 -0.713 0.000 1.219 276 H CB 1.972 30.960 29.762 -1.290 0.000 1.471 276 H HN 0.718 nan 8.280 nan 0.000 0.491 277 T N -0.574 113.841 114.554 -0.232 0.000 2.924 277 T HA 0.182 4.533 4.350 0.001 0.000 0.301 277 T C 1.117 175.761 174.700 -0.092 0.000 1.120 277 T CA -0.255 61.754 62.100 -0.151 0.000 0.940 277 T CB 0.528 69.353 68.868 -0.073 0.000 1.591 277 T HN 0.436 nan 8.240 nan 0.000 0.578 278 T N -0.416 114.127 114.554 -0.019 0.000 2.980 278 T HA 0.276 4.627 4.350 0.001 0.000 0.239 278 T C 2.186 176.915 174.700 0.047 0.000 1.011 278 T CA 0.627 62.719 62.100 -0.014 0.000 1.171 278 T CB -1.023 67.811 68.868 -0.056 0.000 0.873 278 T HN 0.729 nan 8.240 nan 0.000 0.431 279 G N 1.192 110.056 108.800 0.105 0.000 2.464 279 G HA2 0.012 3.973 3.960 0.001 0.000 0.214 279 G HA3 0.012 3.973 3.960 0.001 0.000 0.214 279 G C 1.745 176.823 174.900 0.295 0.000 1.218 279 G CA 0.965 46.165 45.100 0.168 0.000 0.794 279 G HN 0.539 nan 8.290 nan 0.000 0.542 280 G N -0.340 108.693 108.800 0.389 0.000 2.422 280 G HA2 -0.246 3.715 3.960 0.001 0.000 0.218 280 G HA3 -0.246 3.715 3.960 0.001 0.000 0.218 280 G C 1.650 176.581 174.900 0.052 0.000 1.146 280 G CA 1.167 46.396 45.100 0.215 0.000 0.769 280 G HN 0.459 nan 8.290 nan 0.000 0.547 281 Y N 0.541 120.837 120.300 -0.008 0.000 2.145 281 Y HA -0.064 4.487 4.550 0.001 0.000 0.286 281 Y C 2.419 178.311 175.900 -0.012 0.000 1.145 281 Y CA 1.635 59.726 58.100 -0.015 0.000 1.148 281 Y CB -0.242 38.193 38.460 -0.041 0.000 0.981 281 Y HN 0.132 nan 8.280 nan 0.000 0.507 282 L N -0.665 120.520 121.223 -0.064 0.000 2.109 282 L HA -0.078 4.262 4.340 0.001 0.000 0.207 282 L C 2.312 179.096 176.870 -0.143 0.000 1.086 282 L CA 1.282 56.018 54.840 -0.174 0.000 0.760 282 L CB -0.863 41.128 42.059 -0.113 0.000 0.910 282 L HN 0.175 nan 8.230 nan 0.000 0.437 283 V N -1.005 118.901 119.914 -0.013 0.000 2.282 283 V HA -0.377 3.743 4.120 0.001 0.000 0.249 283 V C 2.255 178.405 176.094 0.093 0.000 1.057 283 V CA 2.360 64.724 62.300 0.105 0.000 1.032 283 V CB -0.838 31.150 31.823 0.275 0.000 0.645 283 V HN 0.548 nan 8.190 nan 0.000 0.447 284 Y N 0.387 120.594 120.300 -0.154 0.000 2.200 284 Y HA -0.142 4.409 4.550 0.001 0.000 0.290 284 Y C 2.423 178.142 175.900 -0.302 0.000 1.137 284 Y CA 1.409 59.393 58.100 -0.193 0.000 1.163 284 Y CB -0.238 38.062 38.460 -0.267 0.000 0.988 284 Y HN 0.194 nan 8.280 nan 0.000 0.518 285 A N 0.144 122.674 122.820 -0.482 0.000 1.877 285 A HA -0.172 4.149 4.320 0.001 0.000 0.216 285 A C 2.338 179.678 177.584 -0.406 0.000 1.186 285 A CA 1.771 53.410 52.037 -0.663 0.000 0.620 285 A CB -1.412 17.097 19.000 -0.818 0.000 0.822 285 A HN 0.536 nan 8.150 nan 0.000 0.443 286 A N -1.149 121.516 122.820 -0.258 0.000 1.902 286 A HA -0.081 4.240 4.320 0.001 0.000 0.217 286 A C 2.317 179.858 177.584 -0.073 0.000 1.181 286 A CA 2.345 54.305 52.037 -0.129 0.000 0.623 286 A CB -1.171 17.780 19.000 -0.083 0.000 0.818 286 A HN 0.435 nan 8.150 nan 0.000 0.443 287 T N 0.051 114.557 114.554 -0.080 0.000 2.732 287 T HA -0.117 4.233 4.350 0.001 0.000 0.261 287 T C 2.248 176.888 174.700 -0.099 0.000 1.040 287 T CA 2.187 64.267 62.100 -0.034 0.000 1.145 287 T CB -0.688 68.379 68.868 0.332 0.000 0.866 287 T HN 0.801 nan 8.240 nan 0.000 0.427 288 T N 1.079 115.417 114.554 -0.361 0.000 2.708 288 T HA -0.124 4.226 4.350 0.001 0.000 0.266 288 T C 1.747 176.281 174.700 -0.278 0.000 1.037 288 T CA 1.101 62.813 62.100 -0.647 0.000 1.146 288 T CB -0.984 67.192 68.868 -1.153 0.000 0.865 288 T HN 0.311 nan 8.240 nan 0.000 0.435 289 F N 2.641 122.454 119.950 -0.228 0.000 2.043 289 F HA -0.104 4.424 4.527 0.001 0.000 0.297 289 F C 2.499 178.338 175.800 0.064 0.000 1.121 289 F CA 2.030 60.047 58.000 0.027 0.000 1.199 289 F CB -0.393 38.600 39.000 -0.011 0.000 0.968 289 F HN 0.083 nan 8.300 nan 0.000 0.478 290 K N -0.665 119.755 120.400 0.035 0.000 2.001 290 K HA -0.262 4.059 4.320 0.001 0.000 0.214 290 K C 2.189 178.805 176.600 0.026 0.000 1.050 290 K CA 2.467 58.741 56.287 -0.021 0.000 0.934 290 K CB -0.722 31.685 32.500 -0.155 0.000 0.718 290 K HN 0.514 nan 8.250 nan 0.000 0.443 291 Y N -0.677 119.704 120.300 0.134 0.000 2.286 291 Y HA -0.121 4.429 4.550 0.001 0.000 0.293 291 Y C 2.209 178.146 175.900 0.062 0.000 1.124 291 Y CA 0.234 58.437 58.100 0.172 0.000 1.178 291 Y CB 0.273 38.953 38.460 0.366 0.000 1.010 291 Y HN -0.098 nan 8.280 nan 0.000 0.536 292 V N -0.941 119.006 119.914 0.056 0.000 2.591 292 V HA -0.229 3.891 4.120 0.001 0.000 0.249 292 V C 1.249 177.147 176.094 -0.326 0.000 1.053 292 V CA 1.563 63.741 62.300 -0.202 0.000 1.068 292 V CB -0.501 31.068 31.823 -0.423 0.000 0.689 292 V HN 0.339 nan 8.190 nan 0.000 0.462 293 F N -0.498 119.377 119.950 -0.125 0.000 2.765 293 F HA 0.235 4.762 4.527 0.001 0.000 0.302 293 F C 1.012 176.794 175.800 -0.031 0.000 1.111 293 F CA 0.192 58.104 58.000 -0.147 0.000 1.359 293 F CB -0.005 38.780 39.000 -0.357 0.000 1.097 293 F HN 0.151 nan 8.300 nan 0.000 0.577 294 D N 0.744 121.246 120.400 0.170 0.000 2.697 294 D HA -0.320 4.320 4.640 0.001 0.000 0.235 294 D C -0.289 176.178 176.300 0.278 0.000 1.167 294 D CA 0.330 54.469 54.000 0.232 0.000 0.656 294 D CB -1.342 39.600 40.800 0.236 0.000 1.025 294 D HN 0.431 nan 8.370 nan 0.000 0.419 295 Y N 1.199 121.529 120.300 0.049 0.000 2.526 295 Y HA 0.387 4.938 4.550 0.001 0.000 0.330 295 Y C -0.016 175.913 175.900 0.048 0.000 1.156 295 Y CA 0.120 58.248 58.100 0.046 0.000 1.419 295 Y CB 0.507 38.899 38.460 -0.113 0.000 1.250 295 Y HN 0.206 nan 8.280 nan 0.000 0.540 296 H N 5.848 124.404 119.070 -0.858 0.000 2.637 296 H HA 0.369 4.925 4.556 0.001 0.000 0.363 296 H C -2.535 172.236 175.328 -0.928 0.000 1.131 296 H CA -2.368 53.269 56.048 -0.685 0.000 1.183 296 H CB 1.338 30.938 29.762 -0.269 0.000 1.637 296 H HN 0.517 nan 8.280 nan 0.000 0.531 297 P HA -0.047 nan 4.420 nan 0.000 0.257 297 P C 0.849 178.134 177.300 -0.025 0.000 1.153 297 P CA 1.930 64.959 63.100 -0.118 0.000 0.762 297 P CB 0.246 31.947 31.700 0.002 0.000 0.743 298 G N 2.183 111.035 108.800 0.086 0.000 2.175 298 G HA2 -0.191 3.770 3.960 0.001 0.000 0.244 298 G HA3 -0.191 3.770 3.960 0.001 0.000 0.244 298 G C -0.194 174.783 174.900 0.129 0.000 0.982 298 G CA -0.394 44.772 45.100 0.111 0.000 0.641 298 G HN 0.492 nan 8.290 nan 0.000 0.527 299 D N 1.201 121.682 120.400 0.136 0.000 2.383 299 D HA 0.366 5.006 4.640 0.001 0.000 0.252 299 D C 1.055 177.557 176.300 0.336 0.000 1.166 299 D CA 0.046 54.174 54.000 0.214 0.000 0.879 299 D CB 0.757 41.684 40.800 0.213 0.000 1.164 299 D HN 0.192 nan 8.370 nan 0.000 0.462 300 I N 2.943 123.664 120.570 0.250 0.000 2.352 300 I HA 0.119 4.290 4.170 0.001 0.000 0.290 300 I C -0.143 176.154 176.117 0.299 0.000 1.036 300 I CA -0.549 60.897 61.300 0.244 0.000 1.336 300 I CB -0.018 38.076 38.000 0.157 0.000 1.407 300 I HN 0.332 nan 8.210 nan 0.000 0.497 301 Y N 7.360 127.778 120.300 0.197 0.000 2.409 301 Y HA 0.482 5.033 4.550 0.001 0.000 0.343 301 Y C -1.472 174.583 175.900 0.259 0.000 0.973 301 Y CA -0.858 57.362 58.100 0.201 0.000 1.064 301 Y CB 1.651 40.265 38.460 0.256 0.000 1.207 301 Y HN 0.594 nan 8.280 nan 0.000 0.452 302 W N 8.558 129.441 121.300 -0.695 0.000 2.543 302 W HA 0.515 5.175 4.660 0.001 0.000 0.318 302 W C -1.741 174.409 176.519 -0.616 0.000 1.002 302 W CA -1.769 55.259 57.345 -0.528 0.000 1.302 302 W CB 0.861 30.185 29.460 -0.225 0.000 1.299 302 W HN 0.857 nan 8.180 nan 0.000 0.424 303 C N 6.699 125.777 119.300 -0.370 0.000 2.307 303 C HA 0.464 4.924 4.460 0.001 0.000 0.340 303 C C 1.728 176.613 174.990 -0.174 0.000 1.275 303 C CA 0.414 59.329 59.018 -0.172 0.000 1.811 303 C CB -0.026 27.899 27.740 0.307 0.000 2.372 303 C HN 0.773 nan 8.230 nan 0.000 0.531 304 T N 2.956 117.266 114.554 -0.408 0.000 3.088 304 T HA 0.187 4.538 4.350 0.001 0.000 0.259 304 T C 0.834 175.555 174.700 0.034 0.000 1.122 304 T CA 0.635 62.582 62.100 -0.255 0.000 1.095 304 T CB -0.209 68.413 68.868 -0.411 0.000 0.930 304 T HN 1.165 nan 8.240 nan 0.000 0.508 305 A N 2.017 124.864 122.820 0.045 0.000 2.511 305 A HA 0.218 4.538 4.320 0.001 0.000 0.242 305 A C 0.443 178.161 177.584 0.224 0.000 1.069 305 A CA -0.424 51.698 52.037 0.142 0.000 0.763 305 A CB -0.168 18.936 19.000 0.172 0.000 1.001 305 A HN 0.530 nan 8.150 nan 0.000 0.498 306 D N 1.890 122.455 120.400 0.276 0.000 2.472 306 D HA -0.047 4.593 4.640 0.001 0.000 0.237 306 D C 1.298 177.688 176.300 0.150 0.000 1.141 306 D CA 0.188 54.317 54.000 0.216 0.000 0.875 306 D CB 1.054 42.003 40.800 0.248 0.000 1.192 306 D HN 0.277 nan 8.370 nan 0.000 0.450 307 V N 4.383 124.339 119.914 0.070 0.000 2.688 307 V HA -0.158 3.963 4.120 0.001 0.000 0.256 307 V C 2.051 178.159 176.094 0.022 0.000 1.084 307 V CA 2.387 64.693 62.300 0.010 0.000 1.103 307 V CB -0.334 31.433 31.823 -0.093 0.000 0.688 307 V HN 0.754 nan 8.190 nan 0.000 0.480 308 G N -1.415 107.325 108.800 -0.101 0.000 2.625 308 G HA2 -0.109 3.852 3.960 0.001 0.000 0.214 308 G HA3 -0.109 3.852 3.960 0.001 0.000 0.214 308 G C 0.280 174.974 174.900 -0.343 0.000 1.132 308 G CA -0.072 44.875 45.100 -0.255 0.000 0.782 308 G HN 0.618 nan 8.290 nan 0.000 0.538 309 W N -2.595 118.800 121.300 0.158 0.000 2.850 309 W HA 0.502 5.162 4.660 0.001 0.000 0.349 309 W C 0.990 177.524 176.519 0.024 0.000 1.133 309 W CA -1.223 56.144 57.345 0.037 0.000 1.117 309 W CB 1.327 30.770 29.460 -0.029 0.000 1.442 309 W HN -0.267 nan 8.180 nan 0.000 0.575 310 V N 1.010 121.070 119.914 0.244 0.000 2.490 310 V HA -0.257 3.863 4.120 0.001 0.000 0.250 310 V C 1.640 178.031 176.094 0.496 0.000 1.061 310 V CA 2.858 65.276 62.300 0.197 0.000 1.064 310 V CB -0.585 31.357 31.823 0.198 0.000 0.670 310 V HN 0.820 nan 8.190 nan 0.000 0.461 311 T N 0.083 114.925 114.554 0.481 0.000 2.720 311 T HA -0.115 4.236 4.350 0.001 0.000 0.268 311 T C 1.712 176.778 174.700 0.610 0.000 1.037 311 T CA 1.490 64.029 62.100 0.732 0.000 1.144 311 T CB -0.721 68.439 68.868 0.487 0.000 0.864 311 T HN 0.647 nan 8.240 nan 0.000 0.444 312 G N 0.178 109.242 108.800 0.441 0.000 2.448 312 G HA2 -0.160 3.801 3.960 0.001 0.000 0.218 312 G HA3 -0.160 3.801 3.960 0.001 0.000 0.218 312 G C 1.232 176.253 174.900 0.201 0.000 1.135 312 G CA 0.472 45.758 45.100 0.311 0.000 0.784 312 G HN 0.480 nan 8.290 nan 0.000 0.543 313 H N 0.794 119.892 119.070 0.048 0.000 2.284 313 H HA 0.079 4.635 4.556 0.001 0.000 0.304 313 H C 2.948 178.277 175.328 0.001 0.000 1.069 313 H CA 1.641 57.624 56.048 -0.108 0.000 1.327 313 H CB -0.190 29.467 29.762 -0.175 0.000 1.387 313 H HN 0.272 nan 8.280 nan 0.000 0.498 314 S N -0.754 115.104 115.700 0.264 0.000 2.387 314 S HA -0.058 4.413 4.470 0.001 0.000 0.226 314 S C 0.996 175.252 174.600 -0.574 0.000 1.026 314 S CA 1.079 59.156 58.200 -0.205 0.000 0.972 314 S CB 0.033 62.875 63.200 -0.595 0.000 0.814 314 S HN 0.456 nan 8.310 nan 0.000 0.477 315 Y N -0.745 119.712 120.300 0.263 0.000 2.499 315 Y HA 0.390 4.941 4.550 0.001 0.000 0.253 315 Y C 1.635 177.791 175.900 0.427 0.000 1.105 315 Y CA -0.417 57.891 58.100 0.348 0.000 1.240 315 Y CB 0.287 39.137 38.460 0.649 0.000 1.289 315 Y HN 0.116 nan 8.280 nan 0.000 0.534 316 L N -0.151 121.308 121.223 0.393 0.000 2.168 316 L HA 0.064 4.404 4.340 0.001 0.000 0.203 316 L C 1.389 178.318 176.870 0.097 0.000 1.078 316 L CA 1.703 56.723 54.840 0.301 0.000 0.780 316 L CB -0.454 41.729 42.059 0.206 0.000 0.939 316 L HN 0.280 nan 8.230 nan 0.000 0.451 317 L N -2.310 118.866 121.223 -0.079 0.000 2.546 317 L HA -0.068 4.273 4.340 0.001 0.000 0.185 317 L C 2.507 179.253 176.870 -0.206 0.000 1.247 317 L CA 0.319 55.006 54.840 -0.255 0.000 0.848 317 L CB -0.601 41.092 42.059 -0.610 0.000 1.133 317 L HN 0.063 nan 8.230 nan 0.000 0.504 318 Y N 0.586 120.826 120.300 -0.100 0.000 2.153 318 Y HA -0.056 4.494 4.550 0.001 0.000 0.289 318 Y C 2.507 178.251 175.900 -0.261 0.000 1.127 318 Y CA 0.978 59.013 58.100 -0.108 0.000 1.131 318 Y CB -1.413 37.073 38.460 0.044 0.000 0.995 318 Y HN 0.170 nan 8.280 nan 0.000 0.505 319 G N 0.679 109.323 108.800 -0.261 0.000 2.480 319 G HA2 -0.220 3.741 3.960 0.001 0.000 0.216 319 G HA3 -0.220 3.741 3.960 0.001 0.000 0.216 319 G C -0.513 173.873 174.900 -0.857 0.000 1.200 319 G CA 1.093 45.911 45.100 -0.469 0.000 0.782 319 G HN 0.288 nan 8.290 nan 0.000 0.554 320 P HA -0.092 nan 4.420 nan 0.000 0.214 320 P C 2.178 179.062 177.300 -0.692 0.000 1.163 320 P CA 0.968 63.092 63.100 -1.627 0.000 0.889 320 P CB -0.246 30.843 31.700 -1.019 0.000 0.790 321 L N -0.886 120.147 121.223 -0.317 0.000 2.083 321 L HA -0.145 4.195 4.340 0.001 0.000 0.209 321 L C 2.682 179.587 176.870 0.059 0.000 1.083 321 L CA 1.551 56.379 54.840 -0.019 0.000 0.752 321 L CB -1.272 40.834 42.059 0.079 0.000 0.899 321 L HN -0.050 nan 8.230 nan 0.000 0.433 322 A N -0.793 122.018 122.820 -0.016 0.000 1.948 322 A HA -0.246 4.075 4.320 0.001 0.000 0.220 322 A C 2.210 179.835 177.584 0.070 0.000 1.177 322 A CA 2.002 54.067 52.037 0.047 0.000 0.636 322 A CB -1.018 17.949 19.000 -0.056 0.000 0.815 322 A HN 0.588 nan 8.150 nan 0.000 0.449 323 C N -1.632 117.587 119.300 -0.135 0.000 2.618 323 C HA 0.460 4.920 4.460 0.001 0.000 0.264 323 C C 1.913 176.782 174.990 -0.201 0.000 1.334 323 C CA 0.158 59.105 59.018 -0.119 0.000 1.731 323 C CB -0.994 26.631 27.740 -0.193 0.000 1.852 323 C HN 1.141 nan 8.230 nan 0.000 0.566 324 G N 0.662 109.181 108.800 -0.468 0.000 2.132 324 G HA2 -0.008 3.953 3.960 0.001 0.000 0.228 324 G HA3 -0.008 3.953 3.960 0.001 0.000 0.228 324 G C 0.083 174.851 174.900 -0.220 0.000 1.000 324 G CA 0.198 44.776 45.100 -0.871 0.000 0.693 324 G HN 0.880 nan 8.290 nan 0.000 0.515 325 A N -0.233 122.503 122.820 -0.140 0.000 2.304 325 A HA 0.750 5.070 4.320 0.001 0.000 0.271 325 A C 0.774 178.466 177.584 0.180 0.000 1.091 325 A CA 0.749 52.801 52.037 0.025 0.000 0.812 325 A CB 0.484 19.319 19.000 -0.275 0.000 1.056 325 A HN 0.788 nan 8.150 nan 0.000 0.489 326 T N 1.813 116.510 114.554 0.239 0.000 2.737 326 T HA 0.421 4.772 4.350 0.001 0.000 0.296 326 T C 0.207 175.015 174.700 0.179 0.000 0.922 326 T CA 0.382 62.579 62.100 0.161 0.000 1.079 326 T CB 0.384 69.348 68.868 0.160 0.000 0.892 326 T HN 0.708 nan 8.240 nan 0.000 0.514 327 T N 3.736 118.352 114.554 0.104 0.000 2.855 327 T HA 0.623 4.973 4.350 0.001 0.000 0.281 327 T C -0.722 174.016 174.700 0.063 0.000 1.007 327 T CA -0.787 61.429 62.100 0.193 0.000 1.009 327 T CB 0.661 69.641 68.868 0.187 0.000 0.983 327 T HN 0.476 nan 8.240 nan 0.000 0.455 328 L N 5.742 127.013 121.223 0.079 0.000 2.287 328 L HA 0.632 4.973 4.340 0.001 0.000 0.287 328 L C -0.230 176.654 176.870 0.024 0.000 1.022 328 L CA -0.696 54.073 54.840 -0.117 0.000 0.814 328 L CB 1.151 42.970 42.059 -0.400 0.000 1.217 328 L HN 0.706 nan 8.230 nan 0.000 0.420 329 M N 5.604 125.203 119.600 -0.002 0.000 2.066 329 M HA 0.320 4.801 4.480 0.001 0.000 0.340 329 M C -1.644 174.720 176.300 0.107 0.000 1.053 329 M CA -0.605 54.782 55.300 0.146 0.000 0.983 329 M CB 0.913 33.627 32.600 0.190 0.000 1.520 329 M HN 0.545 nan 8.290 nan 0.000 0.428 330 F N 4.382 124.350 119.950 0.030 0.000 2.410 330 F HA 0.280 4.808 4.527 0.001 0.000 0.349 330 F C 1.004 176.811 175.800 0.011 0.000 1.117 330 F CA -0.487 57.472 58.000 -0.069 0.000 1.104 330 F CB 1.040 40.155 39.000 0.193 0.000 1.122 330 F HN 0.784 nan 8.300 nan 0.000 0.483 331 E N 3.335 123.207 120.200 -0.547 0.000 2.152 331 E HA 0.057 4.408 4.350 0.001 0.000 0.192 331 E C 1.115 177.304 176.600 -0.684 0.000 0.983 331 E CA 0.883 57.024 56.400 -0.432 0.000 0.818 331 E CB 0.029 29.566 29.700 -0.271 0.000 0.758 331 E HN 0.901 nan 8.360 nan 0.000 0.467 332 G N 0.302 108.208 108.800 -1.489 0.000 3.022 332 G HA2 0.370 4.330 3.960 0.001 0.000 0.157 332 G HA3 0.370 4.330 3.960 0.001 0.000 0.157 332 G C -0.780 173.808 174.900 -0.519 0.000 1.468 332 G CA 0.019 44.582 45.100 -0.895 0.000 1.058 332 G HN 0.148 nan 8.290 nan 0.000 0.581 333 V N 0.405 120.357 119.914 0.063 0.000 2.760 333 V HA 0.530 4.651 4.120 0.001 0.000 0.309 333 V C -2.066 174.370 176.094 0.569 0.000 1.077 333 V CA -1.699 60.798 62.300 0.328 0.000 0.910 333 V CB 2.449 34.368 31.823 0.160 0.000 1.008 333 V HN 0.403 nan 8.190 nan 0.000 0.424 334 P HA -0.024 nan 4.420 nan 0.000 0.231 334 P C 0.424 177.870 177.300 0.244 0.000 1.158 334 P CA 1.454 64.760 63.100 0.343 0.000 0.763 334 P CB -0.218 31.589 31.700 0.178 0.000 0.805 335 N N -4.087 114.768 118.700 0.259 0.000 2.299 335 N HA 0.098 4.839 4.740 0.001 0.000 0.246 335 N C -0.724 174.935 175.510 0.248 0.000 1.254 335 N CA -0.682 52.487 53.050 0.198 0.000 0.879 335 N CB 0.079 38.655 38.487 0.148 0.000 1.214 335 N HN 0.012 nan 8.380 nan 0.000 0.510 336 W N 2.435 123.816 121.300 0.134 0.000 2.656 336 W HA 0.483 5.143 4.660 0.001 0.000 0.327 336 W C -2.361 174.227 176.519 0.115 0.000 1.041 336 W CA -1.869 55.538 57.345 0.104 0.000 1.229 336 W CB 2.062 31.572 29.460 0.084 0.000 1.397 336 W HN -0.131 nan 8.180 nan 0.000 0.479 337 P HA 0.035 nan 4.420 nan 0.000 0.236 337 P C 0.130 177.118 177.300 -0.520 0.000 1.177 337 P CA 0.946 63.243 63.100 -1.338 0.000 0.773 337 P CB 0.421 31.317 31.700 -1.339 0.000 0.878 338 T N -5.890 108.523 114.554 -0.235 0.000 2.901 338 T HA 0.469 4.820 4.350 0.001 0.000 0.293 338 T C -2.511 172.185 174.700 -0.006 0.000 1.084 338 T CA -2.307 59.732 62.100 -0.102 0.000 1.008 338 T CB 1.956 70.768 68.868 -0.094 0.000 1.170 338 T HN -0.387 nan 8.240 nan 0.000 0.509 339 P HA 0.007 nan 4.420 nan 0.000 0.218 339 P C 1.300 178.643 177.300 0.071 0.000 1.146 339 P CA 1.195 64.333 63.100 0.063 0.000 0.813 339 P CB -0.212 31.526 31.700 0.064 0.000 0.778 340 A N -0.959 121.885 122.820 0.040 0.000 2.235 340 A HA -0.065 4.256 4.320 0.001 0.000 0.208 340 A C 2.210 179.808 177.584 0.023 0.000 1.172 340 A CA 0.629 52.686 52.037 0.033 0.000 0.786 340 A CB -0.903 18.101 19.000 0.006 0.000 0.804 340 A HN -0.043 nan 8.150 nan 0.000 0.479 341 R N 0.175 120.694 120.500 0.032 0.000 2.080 341 R HA -0.156 4.184 4.340 0.001 0.000 0.236 341 R C 2.034 178.341 176.300 0.012 0.000 1.137 341 R CA 2.409 58.523 56.100 0.023 0.000 0.943 341 R CB -0.637 29.719 30.300 0.093 0.000 0.846 341 R HN 0.554 nan 8.270 nan 0.000 0.431 342 M N -0.705 118.942 119.600 0.079 0.000 2.106 342 M HA -0.239 4.241 4.480 0.001 0.000 0.259 342 M C 1.845 178.244 176.300 0.165 0.000 1.068 342 M CA 2.118 57.511 55.300 0.155 0.000 1.100 342 M CB -0.203 32.465 32.600 0.113 0.000 1.351 342 M HN 0.363 nan 8.290 nan 0.000 0.404 343 C N 0.302 119.653 119.300 0.085 0.000 2.446 343 C HA -0.068 4.392 4.460 0.001 0.000 0.279 343 C C 2.484 177.473 174.990 -0.003 0.000 1.366 343 C CA 0.629 59.675 59.018 0.047 0.000 1.763 343 C CB -1.112 26.641 27.740 0.022 0.000 1.929 343 C HN 0.623 nan 8.230 nan 0.000 0.509 344 Q N 0.135 119.917 119.800 -0.030 0.000 2.167 344 Q HA -0.128 4.212 4.340 0.001 0.000 0.202 344 Q C 2.265 178.182 176.000 -0.137 0.000 0.970 344 Q CA 1.322 57.077 55.803 -0.080 0.000 0.855 344 Q CB -0.075 28.615 28.738 -0.081 0.000 0.911 344 Q HN 0.582 nan 8.270 nan 0.000 0.438 345 V N -0.198 119.618 119.914 -0.164 0.000 2.453 345 V HA -0.196 3.924 4.120 0.001 0.000 0.247 345 V C 2.154 178.128 176.094 -0.199 0.000 1.048 345 V CA 1.168 63.284 62.300 -0.306 0.000 1.049 345 V CB -0.364 31.051 31.823 -0.681 0.000 0.672 345 V HN 0.175 nan 8.190 nan 0.000 0.457 346 V N 0.361 120.259 119.914 -0.025 0.000 2.287 346 V HA -0.280 3.841 4.120 0.001 0.000 0.248 346 V C 2.323 178.401 176.094 -0.027 0.000 1.053 346 V CA 2.313 64.637 62.300 0.040 0.000 1.027 346 V CB -0.704 31.173 31.823 0.090 0.000 0.646 346 V HN 0.531 nan 8.190 nan 0.000 0.447 347 D N -0.129 120.235 120.400 -0.061 0.000 2.092 347 D HA -0.194 4.446 4.640 0.001 0.000 0.193 347 D C 2.171 178.394 176.300 -0.128 0.000 0.994 347 D CA 1.669 55.621 54.000 -0.081 0.000 0.828 347 D CB -0.296 40.455 40.800 -0.082 0.000 0.963 347 D HN 0.421 nan 8.370 nan 0.000 0.450 348 K N -0.239 120.030 120.400 -0.219 0.000 2.063 348 K HA -0.157 4.164 4.320 0.001 0.000 0.208 348 K C 1.276 177.611 176.600 -0.442 0.000 1.048 348 K CA 1.243 57.304 56.287 -0.376 0.000 0.928 348 K CB 0.065 32.234 32.500 -0.552 0.000 0.713 348 K HN 0.261 nan 8.250 nan 0.000 0.442 349 H N 0.305 119.315 119.070 -0.099 0.000 2.549 349 H HA 0.139 4.696 4.556 0.001 0.000 0.279 349 H C -0.125 175.186 175.328 -0.028 0.000 1.018 349 H CA 0.106 56.112 56.048 -0.071 0.000 1.175 349 H CB 0.763 30.426 29.762 -0.165 0.000 1.485 349 H HN 0.257 nan 8.280 nan 0.000 0.543 350 Q N 0.302 120.124 119.800 0.037 0.000 2.435 350 Q HA -0.141 4.200 4.340 0.001 0.000 0.312 350 Q C -0.067 175.972 176.000 0.066 0.000 1.333 350 Q CA 0.247 56.073 55.803 0.038 0.000 0.883 350 Q CB -2.241 26.520 28.738 0.039 0.000 1.170 350 Q HN 0.186 nan 8.270 nan 0.000 0.443 351 V N 0.922 120.881 119.914 0.075 0.000 2.617 351 V HA -0.120 4.000 4.120 0.001 0.000 0.304 351 V C 1.569 177.716 176.094 0.087 0.000 1.040 351 V CA 1.250 63.614 62.300 0.106 0.000 1.149 351 V CB 0.567 32.487 31.823 0.162 0.000 0.914 351 V HN 0.481 nan 8.190 nan 0.000 0.487 352 N N 3.470 122.234 118.700 0.106 0.000 2.368 352 N HA 0.353 5.093 4.740 0.001 0.000 0.178 352 N C -0.255 175.307 175.510 0.086 0.000 1.076 352 N CA 0.102 53.201 53.050 0.082 0.000 0.889 352 N CB 0.515 39.058 38.487 0.093 0.000 1.040 352 N HN 0.584 nan 8.380 nan 0.000 0.463 353 I N 1.330 121.968 120.570 0.114 0.000 2.512 353 I HA 0.300 4.471 4.170 0.001 0.000 0.287 353 I C -1.629 174.491 176.117 0.005 0.000 1.069 353 I CA -0.866 60.492 61.300 0.097 0.000 1.056 353 I CB 2.329 40.448 38.000 0.199 0.000 1.229 353 I HN -0.115 nan 8.210 nan 0.000 0.429 354 L N 7.522 128.747 121.223 0.004 0.000 2.362 354 L HA 0.566 4.906 4.340 0.001 0.000 0.275 354 L C -1.791 175.124 176.870 0.074 0.000 0.998 354 L CA -0.464 54.355 54.840 -0.036 0.000 0.820 354 L CB 1.478 43.535 42.059 -0.003 0.000 1.270 354 L HN 0.457 nan 8.230 nan 0.000 0.415 355 Y N 4.264 124.431 120.300 -0.221 0.000 2.332 355 Y HA 0.683 5.234 4.550 0.001 0.000 0.326 355 Y C -0.407 175.411 175.900 -0.137 0.000 0.978 355 Y CA -0.326 57.746 58.100 -0.048 0.000 1.205 355 Y CB 1.499 39.974 38.460 0.024 0.000 1.131 355 Y HN 0.800 nan 8.280 nan 0.000 0.462 356 T N 3.164 117.602 114.554 -0.194 0.000 2.591 356 T HA 0.921 5.272 4.350 0.001 0.000 0.274 356 T C -1.511 172.985 174.700 -0.340 0.000 0.945 356 T CA -0.121 61.779 62.100 -0.335 0.000 1.087 356 T CB 1.015 69.694 68.868 -0.315 0.000 1.416 356 T HN 0.750 nan 8.240 nan 0.000 0.514 357 A N 1.003 123.644 122.820 -0.298 0.000 2.365 357 A HA 0.736 5.057 4.320 0.001 0.000 0.318 357 A C -2.245 175.197 177.584 -0.237 0.000 1.091 357 A CA -1.635 50.249 52.037 -0.255 0.000 0.763 357 A CB 1.257 20.114 19.000 -0.239 0.000 1.248 357 A HN 0.571 nan 8.150 nan 0.000 0.442 358 P HA -0.130 nan 4.420 nan 0.000 0.216 358 P C 1.489 178.717 177.300 -0.119 0.000 1.150 358 P CA 1.959 64.974 63.100 -0.141 0.000 0.843 358 P CB 0.151 31.812 31.700 -0.065 0.000 0.787 359 T N -0.665 113.819 114.554 -0.118 0.000 2.746 359 T HA -0.153 4.197 4.350 0.001 0.000 0.267 359 T C 1.885 176.536 174.700 -0.083 0.000 1.039 359 T CA 1.685 63.731 62.100 -0.089 0.000 1.142 359 T CB -0.925 67.886 68.868 -0.095 0.000 0.866 359 T HN 0.060 nan 8.240 nan 0.000 0.444 360 A N 1.074 123.832 122.820 -0.103 0.000 1.877 360 A HA -0.047 4.274 4.320 0.001 0.000 0.216 360 A C 2.278 179.808 177.584 -0.089 0.000 1.186 360 A CA 1.320 53.309 52.037 -0.080 0.000 0.620 360 A CB -0.807 18.136 19.000 -0.096 0.000 0.822 360 A HN 0.520 nan 8.150 nan 0.000 0.443 361 I N -0.891 119.592 120.570 -0.144 0.000 2.179 361 I HA -0.291 3.879 4.170 0.001 0.000 0.242 361 I C 2.797 178.812 176.117 -0.170 0.000 1.088 361 I CA 1.567 62.789 61.300 -0.131 0.000 1.357 361 I CB -0.338 37.518 38.000 -0.239 0.000 1.051 361 I HN 0.280 nan 8.210 nan 0.000 0.409 362 R N 0.596 121.006 120.500 -0.150 0.000 2.096 362 R HA -0.144 4.196 4.340 0.001 0.000 0.235 362 R C 2.438 178.634 176.300 -0.173 0.000 1.127 362 R CA 1.443 57.441 56.100 -0.169 0.000 0.968 362 R CB -0.499 29.747 30.300 -0.089 0.000 0.861 362 R HN 0.392 nan 8.270 nan 0.000 0.440 363 A N 1.229 123.985 122.820 -0.106 0.000 1.902 363 A HA -0.130 4.190 4.320 0.001 0.000 0.217 363 A C 2.161 179.689 177.584 -0.093 0.000 1.181 363 A CA 1.172 53.169 52.037 -0.067 0.000 0.623 363 A CB -0.469 18.523 19.000 -0.013 0.000 0.818 363 A HN 0.172 nan 8.150 nan 0.000 0.443 364 L N -1.538 119.617 121.223 -0.113 0.000 2.056 364 L HA -0.135 4.205 4.340 0.001 0.000 0.207 364 L C 2.804 179.469 176.870 -0.341 0.000 1.078 364 L CA 1.643 56.432 54.840 -0.084 0.000 0.749 364 L CB -0.478 41.645 42.059 0.107 0.000 0.901 364 L HN 0.537 nan 8.230 nan 0.000 0.433 365 M N 0.041 119.144 119.600 -0.827 0.000 2.149 365 M HA -0.204 4.277 4.480 0.001 0.000 0.261 365 M C 2.318 178.263 176.300 -0.592 0.000 1.064 365 M CA 1.927 56.403 55.300 -1.374 0.000 1.102 365 M CB -0.108 31.679 32.600 -1.355 0.000 1.369 365 M HN 0.260 nan 8.290 nan 0.000 0.408 366 A N 0.077 122.696 122.820 -0.336 0.000 2.024 366 A HA -0.148 4.173 4.320 0.001 0.000 0.220 366 A C 1.702 179.225 177.584 -0.101 0.000 1.164 366 A CA 1.633 53.566 52.037 -0.173 0.000 0.643 366 A CB -0.538 18.397 19.000 -0.107 0.000 0.806 366 A HN 0.586 nan 8.150 nan 0.000 0.451 367 E N -0.557 119.593 120.200 -0.083 0.000 2.489 367 E HA 0.243 4.593 4.350 0.001 0.000 0.193 367 E C 1.501 178.135 176.600 0.056 0.000 1.057 367 E CA 0.546 56.945 56.400 -0.002 0.000 0.866 367 E CB -0.699 29.015 29.700 0.024 0.000 0.916 367 E HN 0.616 nan 8.360 nan 0.000 0.500 368 G N 2.516 111.354 108.800 0.062 0.000 2.634 368 G HA2 -0.380 3.581 3.960 0.001 0.000 0.309 368 G HA3 -0.380 3.581 3.960 0.001 0.000 0.309 368 G C 0.555 175.651 174.900 0.326 0.000 1.265 368 G CA 0.555 45.790 45.100 0.225 0.000 0.998 368 G HN 0.256 nan 8.290 nan 0.000 0.551 369 D N 1.103 121.636 120.400 0.221 0.000 2.371 369 D HA 0.043 4.683 4.640 0.001 0.000 0.221 369 D C 2.365 178.733 176.300 0.113 0.000 0.986 369 D CA 0.800 54.894 54.000 0.157 0.000 0.899 369 D CB -0.015 40.840 40.800 0.093 0.000 0.902 369 D HN 0.317 nan 8.370 nan 0.000 0.530 370 K N 0.712 121.177 120.400 0.107 0.000 2.280 370 K HA -0.007 4.313 4.320 0.001 0.000 0.202 370 K C 1.790 178.446 176.600 0.092 0.000 1.047 370 K CA 0.467 56.799 56.287 0.075 0.000 0.942 370 K CB -0.352 32.182 32.500 0.056 0.000 0.739 370 K HN 0.103 nan 8.250 nan 0.000 0.457 371 A N 1.239 124.156 122.820 0.161 0.000 2.067 371 A HA -0.050 4.270 4.320 0.001 0.000 0.219 371 A C 1.932 179.590 177.584 0.122 0.000 1.158 371 A CA 1.197 53.350 52.037 0.194 0.000 0.661 371 A CB -0.449 18.794 19.000 0.404 0.000 0.801 371 A HN 0.458 nan 8.150 nan 0.000 0.452 372 I N -4.724 115.892 120.570 0.077 0.000 4.526 372 I HA 0.298 4.468 4.170 0.001 0.000 0.330 372 I C 0.480 176.594 176.117 -0.005 0.000 1.323 372 I CA -0.277 61.029 61.300 0.010 0.000 1.218 372 I CB -0.038 37.932 38.000 -0.050 0.000 1.233 372 I HN 0.098 nan 8.210 nan 0.000 0.430 373 E N 2.920 123.126 120.200 0.010 0.000 2.652 373 E HA 0.113 4.464 4.350 0.001 0.000 0.255 373 E C 1.308 177.899 176.600 -0.015 0.000 0.952 373 E CA 1.232 57.631 56.400 -0.002 0.000 0.947 373 E CB 0.171 29.875 29.700 0.007 0.000 0.912 373 E HN 0.604 nan 8.360 nan 0.000 0.489 374 G N 3.327 112.113 108.800 -0.023 0.000 2.166 374 G HA2 -0.303 3.658 3.960 0.001 0.000 0.260 374 G HA3 -0.303 3.658 3.960 0.001 0.000 0.260 374 G C 0.244 175.122 174.900 -0.037 0.000 0.986 374 G CA 0.784 45.866 45.100 -0.030 0.000 0.683 374 G HN 0.789 nan 8.290 nan 0.000 0.527 375 T N -3.748 110.784 114.554 -0.038 0.000 2.950 375 T HA 0.703 5.054 4.350 0.001 0.000 0.288 375 T C 0.467 175.135 174.700 -0.053 0.000 1.035 375 T CA 0.191 62.264 62.100 -0.045 0.000 1.028 375 T CB 2.734 71.579 68.868 -0.039 0.000 1.109 375 T HN -0.020 nan 8.240 nan 0.000 0.514 376 D N -0.074 120.292 120.400 -0.056 0.000 2.566 376 D HA 0.053 4.694 4.640 0.001 0.000 0.253 376 D C 0.943 177.199 176.300 -0.074 0.000 0.992 376 D CA 0.199 54.162 54.000 -0.062 0.000 0.940 376 D CB 0.292 41.058 40.800 -0.056 0.000 1.095 376 D HN 0.710 nan 8.370 nan 0.000 0.480 377 R N -0.597 119.862 120.500 -0.068 0.000 3.977 377 R HA -0.140 4.200 4.340 0.001 0.000 0.428 377 R C 1.450 177.698 176.300 -0.086 0.000 1.079 377 R CA 0.830 56.884 56.100 -0.077 0.000 1.269 377 R CB -2.048 28.188 30.300 -0.107 0.000 1.856 377 R HN 0.021 nan 8.270 nan 0.000 0.551 378 S N -0.130 115.525 115.700 -0.076 0.000 2.474 378 S HA -0.121 4.350 4.470 0.001 0.000 0.235 378 S C 1.715 176.279 174.600 -0.060 0.000 0.997 378 S CA 1.254 59.409 58.200 -0.075 0.000 0.949 378 S CB 0.005 63.167 63.200 -0.063 0.000 0.766 378 S HN 0.649 nan 8.310 nan 0.000 0.517 379 S N 1.044 116.718 115.700 -0.044 0.000 2.461 379 S HA 0.129 4.599 4.470 0.001 0.000 0.228 379 S C 0.596 175.183 174.600 -0.022 0.000 1.005 379 S CA 0.054 58.240 58.200 -0.024 0.000 0.942 379 S CB -0.566 62.632 63.200 -0.003 0.000 0.776 379 S HN 0.355 nan 8.310 nan 0.000 0.514 380 L N 1.725 122.923 121.223 -0.043 0.000 2.455 380 L HA 0.306 4.646 4.340 0.001 0.000 0.272 380 L C 1.695 178.527 176.870 -0.063 0.000 1.174 380 L CA -0.204 54.607 54.840 -0.048 0.000 0.869 380 L CB 0.485 42.491 42.059 -0.088 0.000 1.130 380 L HN 0.168 nan 8.230 nan 0.000 0.474 381 R N 2.759 123.239 120.500 -0.034 0.000 2.310 381 R HA 0.386 4.726 4.340 0.001 0.000 0.199 381 R C -0.362 175.928 176.300 -0.017 0.000 0.891 381 R CA 0.102 56.183 56.100 -0.032 0.000 1.060 381 R CB 0.926 31.218 30.300 -0.014 0.000 1.188 381 R HN 0.402 nan 8.270 nan 0.000 0.607 382 I N 1.989 122.566 120.570 0.012 0.000 2.569 382 I HA 0.351 4.521 4.170 0.001 0.000 0.290 382 I C -0.677 175.463 176.117 0.037 0.000 1.088 382 I CA -0.634 60.698 61.300 0.052 0.000 1.047 382 I CB 2.113 40.203 38.000 0.149 0.000 1.237 382 I HN -0.003 nan 8.210 nan 0.000 0.421 383 L N 4.466 125.687 121.223 -0.003 0.000 2.334 383 L HA 0.869 5.209 4.340 0.001 0.000 0.273 383 L C 0.422 177.405 176.870 0.187 0.000 1.013 383 L CA -0.541 54.292 54.840 -0.012 0.000 0.816 383 L CB 2.297 44.119 42.059 -0.396 0.000 1.278 383 L HN 0.718 nan 8.230 nan 0.000 0.431 384 G N 0.051 109.084 108.800 0.388 0.000 2.574 384 G HA2 0.593 4.553 3.960 0.001 0.000 0.299 384 G HA3 0.593 4.553 3.960 0.001 0.000 0.299 384 G C -1.685 173.537 174.900 0.538 0.000 1.298 384 G CA -0.366 45.057 45.100 0.539 0.000 0.952 384 G HN 0.416 nan 8.290 nan 0.000 0.477 385 S N -0.920 115.028 115.700 0.413 0.000 2.548 385 S HA 0.715 5.186 4.470 0.001 0.000 0.276 385 S C -1.418 173.283 174.600 0.169 0.000 1.129 385 S CA -0.578 57.721 58.200 0.165 0.000 0.931 385 S CB 1.741 65.007 63.200 0.109 0.000 1.068 385 S HN 1.318 nan 8.310 nan 0.000 0.480 386 V N 4.005 123.900 119.914 -0.032 0.000 3.012 386 V HA 0.814 4.934 4.120 0.001 0.000 0.307 386 V C 0.690 176.717 176.094 -0.112 0.000 1.166 386 V CA 0.780 63.078 62.300 -0.002 0.000 0.974 386 V CB 1.461 33.271 31.823 -0.022 0.000 1.040 386 V HN 1.622 nan 8.190 nan 0.000 0.428 387 G N 4.048 112.780 108.800 -0.114 0.000 2.278 387 G HA2 -0.087 3.874 3.960 0.001 0.000 0.210 387 G HA3 -0.087 3.874 3.960 0.001 0.000 0.210 387 G C -0.123 174.696 174.900 -0.136 0.000 1.000 387 G CA 0.477 45.456 45.100 -0.203 0.000 0.635 387 G HN 1.454 nan 8.290 nan 0.000 0.495 388 E N -0.425 119.747 120.200 -0.047 0.000 2.416 388 E HA 0.530 4.881 4.350 0.001 0.000 0.280 388 E C -3.338 173.300 176.600 0.063 0.000 1.055 388 E CA -2.113 54.285 56.400 -0.003 0.000 0.825 388 E CB 0.935 30.606 29.700 -0.048 0.000 1.312 388 E HN 0.061 nan 8.360 nan 0.000 0.452 389 P HA 0.152 nan 4.420 nan 0.000 0.267 389 P C -0.802 176.562 177.300 0.107 0.000 1.200 389 P CA -0.031 63.138 63.100 0.115 0.000 0.772 389 P CB 0.495 32.261 31.700 0.109 0.000 0.855 390 I N 2.228 122.888 120.570 0.150 0.000 2.436 390 I HA 0.254 4.424 4.170 0.001 0.000 0.289 390 I C 0.001 176.242 176.117 0.206 0.000 1.010 390 I CA -1.014 60.388 61.300 0.170 0.000 1.098 390 I CB 1.033 39.160 38.000 0.213 0.000 1.266 390 I HN 0.356 nan 8.210 nan 0.000 0.434 391 N N 8.063 126.868 118.700 0.174 0.000 2.444 391 N HA 0.227 4.967 4.740 0.001 0.000 0.255 391 N C -2.229 173.419 175.510 0.231 0.000 1.255 391 N CA -1.049 52.104 53.050 0.172 0.000 0.933 391 N CB 1.492 40.048 38.487 0.116 0.000 1.143 391 N HN 0.318 nan 8.380 nan 0.000 0.453 392 P HA -0.115 nan 4.420 nan 0.000 0.215 392 P C 0.778 178.251 177.300 0.287 0.000 1.153 392 P CA 1.667 64.892 63.100 0.209 0.000 0.853 392 P CB 0.202 31.978 31.700 0.126 0.000 0.788 393 E N -0.551 119.785 120.200 0.226 0.000 2.077 393 E HA -0.153 4.197 4.350 0.001 0.000 0.193 393 E C 2.103 178.886 176.600 0.305 0.000 0.989 393 E CA 1.232 57.774 56.400 0.236 0.000 0.800 393 E CB -0.549 29.242 29.700 0.152 0.000 0.746 393 E HN 0.159 nan 8.360 nan 0.000 0.452 394 A N 0.743 123.723 122.820 0.266 0.000 1.898 394 A HA -0.187 4.133 4.320 0.001 0.000 0.216 394 A C 1.873 179.717 177.584 0.432 0.000 1.181 394 A CA 1.187 53.388 52.037 0.272 0.000 0.620 394 A CB -1.026 18.067 19.000 0.155 0.000 0.819 394 A HN 0.524 nan 8.150 nan 0.000 0.442 395 W N 0.894 122.339 121.300 0.242 0.000 2.355 395 W HA -0.172 4.489 4.660 0.001 0.000 0.309 395 W C 2.080 178.800 176.519 0.334 0.000 1.206 395 W CA 1.737 59.250 57.345 0.280 0.000 1.284 395 W CB 0.148 29.720 29.460 0.187 0.000 1.145 395 W HN 0.313 nan 8.180 nan 0.000 0.502 396 E N -0.595 120.082 120.200 0.796 0.000 2.077 396 E HA -0.269 4.081 4.350 0.001 0.000 0.193 396 E C 1.674 178.582 176.600 0.513 0.000 0.989 396 E CA 1.718 58.524 56.400 0.677 0.000 0.800 396 E CB -1.258 28.750 29.700 0.514 0.000 0.746 396 E HN 0.584 nan 8.360 nan 0.000 0.452 397 W N 0.593 122.066 121.300 0.289 0.000 2.355 397 W HA -0.273 4.388 4.660 0.001 0.000 0.309 397 W C 2.269 178.902 176.519 0.190 0.000 1.206 397 W CA 1.553 59.021 57.345 0.204 0.000 1.284 397 W CB -0.512 29.043 29.460 0.159 0.000 1.145 397 W HN 0.090 nan 8.180 nan 0.000 0.502 398 Y N -0.298 120.199 120.300 0.330 0.000 2.081 398 Y HA -0.306 4.244 4.550 0.001 0.000 0.280 398 Y C 2.173 177.972 175.900 -0.168 0.000 1.163 398 Y CA 2.248 60.378 58.100 0.050 0.000 1.135 398 Y CB -1.556 36.924 38.460 0.033 0.000 0.970 398 Y HN 0.185 nan 8.280 nan 0.000 0.498 399 W N 1.458 122.524 121.300 -0.389 0.000 2.363 399 W HA -0.194 4.466 4.660 0.001 0.000 0.296 399 W C 2.557 178.867 176.519 -0.349 0.000 1.212 399 W CA 2.816 59.832 57.345 -0.549 0.000 1.260 399 W CB -0.319 28.758 29.460 -0.638 0.000 1.131 399 W HN 0.103 nan 8.180 nan 0.000 0.530 400 K N -0.107 120.205 120.400 -0.148 0.000 2.067 400 K HA -0.103 4.217 4.320 0.001 0.000 0.203 400 K C 2.085 178.420 176.600 -0.442 0.000 1.048 400 K CA 1.053 57.161 56.287 -0.298 0.000 0.954 400 K CB -0.167 32.308 32.500 -0.042 0.000 0.737 400 K HN -0.144 nan 8.250 nan 0.000 0.444 401 K N 0.584 120.622 120.400 -0.603 0.000 2.098 401 K HA 0.034 4.355 4.320 0.001 0.000 0.203 401 K C 2.104 178.379 176.600 -0.541 0.000 1.051 401 K CA 0.716 56.569 56.287 -0.724 0.000 0.957 401 K CB 0.061 31.670 32.500 -1.485 0.000 0.738 401 K HN 0.212 nan 8.250 nan 0.000 0.447 402 I N -0.083 120.178 120.570 -0.514 0.000 2.494 402 I HA -0.008 4.163 4.170 0.001 0.000 0.250 402 I C 2.128 178.014 176.117 -0.385 0.000 1.112 402 I CA 1.156 62.248 61.300 -0.346 0.000 1.438 402 I CB -1.425 36.455 38.000 -0.200 0.000 1.111 402 I HN 0.084 nan 8.210 nan 0.000 0.431 403 G N 0.125 108.613 108.800 -0.519 0.000 2.880 403 G HA2 -0.088 3.872 3.960 0.001 0.000 0.209 403 G HA3 -0.088 3.872 3.960 0.001 0.000 0.209 403 G C 0.920 175.503 174.900 -0.528 0.000 1.157 403 G CA -0.079 44.698 45.100 -0.538 0.000 0.779 403 G HN 0.374 nan 8.290 nan 0.000 0.539 404 K N -0.082 120.019 120.400 -0.498 0.000 3.016 404 K HA -0.233 4.088 4.320 0.001 0.000 0.262 404 K C 0.479 176.735 176.600 -0.573 0.000 1.043 404 K CA 0.811 56.837 56.287 -0.434 0.000 0.761 404 K CB -1.352 30.970 32.500 -0.296 0.000 1.230 404 K HN 0.622 nan 8.250 nan 0.000 0.485 405 E N -2.235 117.367 120.200 -0.997 0.000 3.170 405 E HA -0.308 4.043 4.350 0.001 0.000 0.284 405 E C 0.347 176.360 176.600 -0.979 0.000 0.967 405 E CA 1.442 56.872 56.400 -1.618 0.000 0.919 405 E CB -0.709 28.443 29.700 -0.913 0.000 1.469 405 E HN 0.520 nan 8.360 nan 0.000 0.444 406 K N -0.657 119.341 120.400 -0.671 0.000 2.402 406 K HA 0.205 4.526 4.320 0.001 0.000 0.203 406 K C -0.226 176.249 176.600 -0.209 0.000 1.077 406 K CA 0.242 56.344 56.287 -0.308 0.000 1.051 406 K CB 1.016 33.378 32.500 -0.230 0.000 0.907 406 K HN 0.061 nan 8.250 nan 0.000 0.554 407 C N 2.607 121.714 119.300 -0.322 0.000 2.301 407 C HA 0.398 4.859 4.460 0.001 0.000 0.323 407 C C -2.496 172.499 174.990 0.009 0.000 1.265 407 C CA -2.080 56.840 59.018 -0.163 0.000 1.503 407 C CB 0.937 28.526 27.740 -0.252 0.000 2.195 407 C HN 0.159 nan 8.230 nan 0.000 0.477 408 P HA 0.066 nan 4.420 nan 0.000 0.264 408 P C -0.608 176.736 177.300 0.074 0.000 1.183 408 P CA 0.304 63.499 63.100 0.159 0.000 0.763 408 P CB 0.377 32.147 31.700 0.116 0.000 0.807 409 V N 4.576 124.542 119.914 0.086 0.000 2.347 409 V HA 0.176 4.297 4.120 0.001 0.000 0.280 409 V C 0.372 176.549 176.094 0.137 0.000 1.021 409 V CA -0.641 61.666 62.300 0.012 0.000 0.847 409 V CB 1.502 33.124 31.823 -0.333 0.000 0.990 409 V HN 0.378 nan 8.190 nan 0.000 0.444 410 V N 1.289 121.255 119.914 0.086 0.000 2.320 410 V HA 0.446 4.567 4.120 0.001 0.000 0.265 410 V C 0.052 176.164 176.094 0.030 0.000 1.048 410 V CA -0.481 61.815 62.300 -0.008 0.000 0.865 410 V CB 1.092 32.789 31.823 -0.210 0.000 1.043 410 V HN 0.757 nan 8.190 nan 0.000 0.474 411 D N 5.372 125.827 120.400 0.091 0.000 2.359 411 D HA 0.183 4.824 4.640 0.001 0.000 0.250 411 D C 0.615 176.925 176.300 0.017 0.000 1.264 411 D CA 0.180 54.250 54.000 0.117 0.000 0.911 411 D CB 0.948 41.857 40.800 0.181 0.000 1.056 411 D HN 0.909 nan 8.370 nan 0.000 0.499 412 T N 1.666 116.214 114.554 -0.009 0.000 2.738 412 T HA 0.298 4.649 4.350 0.001 0.000 0.298 412 T C -0.245 174.609 174.700 0.257 0.000 0.962 412 T CA -1.037 60.987 62.100 -0.127 0.000 0.972 412 T CB 0.269 68.677 68.868 -0.767 0.000 0.928 412 T HN 0.340 nan 8.240 nan 0.000 0.474 413 W N 8.126 129.513 121.300 0.145 0.000 2.351 413 W HA 0.630 5.291 4.660 0.001 0.000 0.311 413 W C -1.012 175.774 176.519 0.446 0.000 1.168 413 W CA -0.110 57.366 57.345 0.218 0.000 1.200 413 W CB 0.620 30.133 29.460 0.088 0.000 1.221 413 W HN 0.868 nan 8.180 nan 0.000 0.519 414 W N 4.388 125.036 121.300 -1.086 0.000 2.791 414 W HA 0.488 5.148 4.660 0.001 0.000 0.419 414 W C -1.932 174.123 176.519 -0.774 0.000 1.082 414 W CA -1.070 55.658 57.345 -1.028 0.000 1.154 414 W CB 0.099 29.433 29.460 -0.211 0.000 1.472 414 W HN 0.435 nan 8.180 nan 0.000 0.584 415 Q N -0.425 119.154 119.800 -0.368 0.000 2.565 415 Q HA 0.362 4.703 4.340 0.001 0.000 0.294 415 Q C 0.566 176.549 176.000 -0.029 0.000 1.005 415 Q CA -0.705 54.907 55.803 -0.318 0.000 0.771 415 Q CB 2.718 31.387 28.738 -0.115 0.000 1.486 415 Q HN 0.360 nan 8.270 nan 0.000 0.422 416 T N 0.402 114.952 114.554 -0.007 0.000 2.737 416 T HA -0.179 4.172 4.350 0.001 0.000 0.269 416 T C 0.903 175.844 174.700 0.400 0.000 1.040 416 T CA 2.029 64.252 62.100 0.206 0.000 1.142 416 T CB -0.084 68.893 68.868 0.182 0.000 0.861 416 T HN 0.495 nan 8.240 nan 0.000 0.456 417 E N 0.794 121.152 120.200 0.263 0.000 2.478 417 E HA -0.007 4.343 4.350 0.001 0.000 0.198 417 E C 2.170 178.953 176.600 0.305 0.000 1.046 417 E CA 0.935 57.452 56.400 0.194 0.000 0.870 417 E CB -0.167 29.521 29.700 -0.020 0.000 0.818 417 E HN 0.683 nan 8.360 nan 0.000 0.527 418 T N -4.550 110.288 114.554 0.474 0.000 3.023 418 T HA 0.334 4.685 4.350 0.001 0.000 0.253 418 T C 1.775 176.926 174.700 0.752 0.000 1.038 418 T CA 0.333 62.841 62.100 0.681 0.000 0.962 418 T CB 0.460 69.570 68.868 0.403 0.000 1.018 418 T HN 0.191 nan 8.240 nan 0.000 0.521 419 G N 0.857 110.093 108.800 0.727 0.000 2.530 419 G HA2 -0.058 3.902 3.960 0.001 0.000 0.247 419 G HA3 -0.058 3.902 3.960 0.001 0.000 0.247 419 G C 0.546 175.645 174.900 0.332 0.000 1.067 419 G CA 0.126 45.536 45.100 0.516 0.000 0.650 419 G HN 1.430 nan 8.290 nan 0.000 0.531 420 G N -1.685 107.291 108.800 0.292 0.000 2.682 420 G HA2 0.626 4.586 3.960 0.001 0.000 0.290 420 G HA3 0.626 4.586 3.960 0.001 0.000 0.290 420 G C -0.211 174.518 174.900 -0.285 0.000 1.425 420 G CA -0.700 44.202 45.100 -0.331 0.000 0.807 420 G HN 0.585 nan 8.290 nan 0.000 0.482 421 F N 0.696 120.172 119.950 -0.790 0.000 2.637 421 F HA 0.005 4.532 4.527 0.001 0.000 0.372 421 F C 1.651 177.345 175.800 -0.177 0.000 1.107 421 F CA -0.044 57.576 58.000 -0.634 0.000 1.325 421 F CB 0.458 38.996 39.000 -0.771 0.000 1.016 421 F HN 0.102 nan 8.300 nan 0.000 0.593 422 M N 2.833 122.569 119.600 0.228 0.000 2.817 422 M HA 0.329 4.810 4.480 0.001 0.000 0.228 422 M C 0.056 176.548 176.300 0.320 0.000 1.644 422 M CA 0.723 56.174 55.300 0.253 0.000 1.177 422 M CB 0.375 33.109 32.600 0.224 0.000 1.302 422 M HN 0.326 nan 8.290 nan 0.000 0.565 423 I N 0.497 121.297 120.570 0.383 0.000 2.447 423 I HA 0.474 4.645 4.170 0.001 0.000 0.287 423 I C -0.403 175.786 176.117 0.120 0.000 1.023 423 I CA -0.318 61.108 61.300 0.209 0.000 1.083 423 I CB 2.075 40.141 38.000 0.110 0.000 1.245 423 I HN 0.096 nan 8.210 nan 0.000 0.434 424 T N 6.407 120.956 114.554 -0.009 0.000 2.977 424 T HA 0.436 4.786 4.350 0.001 0.000 0.345 424 T C -2.967 171.623 174.700 -0.184 0.000 1.562 424 T CA -1.124 60.901 62.100 -0.126 0.000 1.090 424 T CB 2.201 70.917 68.868 -0.255 0.000 1.383 424 T HN 0.167 nan 8.240 nan 0.000 0.484 425 P HA 0.569 nan 4.420 nan 0.000 0.276 425 P C -1.154 176.031 177.300 -0.192 0.000 1.252 425 P CA -0.582 62.383 63.100 -0.224 0.000 0.802 425 P CB 0.478 32.096 31.700 -0.137 0.000 1.035 426 L N 3.243 124.353 121.223 -0.189 0.000 2.346 426 L HA 0.422 4.762 4.340 0.001 0.000 0.276 426 L C -1.635 175.203 176.870 -0.053 0.000 1.006 426 L CA -1.930 52.854 54.840 -0.094 0.000 0.817 426 L CB 1.539 43.563 42.059 -0.058 0.000 1.272 426 L HN 0.279 nan 8.230 nan 0.000 0.421 427 P HA -0.056 nan 4.420 nan 0.000 0.217 427 P C 1.038 178.366 177.300 0.047 0.000 1.150 427 P CA 0.912 64.033 63.100 0.035 0.000 0.832 427 P CB 0.369 32.108 31.700 0.065 0.000 0.787 428 G N -1.797 107.035 108.800 0.053 0.000 3.233 428 G HA2 0.305 4.265 3.960 0.001 0.000 0.234 428 G HA3 0.305 4.265 3.960 0.001 0.000 0.234 428 G C 1.048 175.972 174.900 0.041 0.000 1.137 428 G CA 0.618 45.752 45.100 0.058 0.000 0.763 428 G HN 0.322 nan 8.290 nan 0.000 0.549 429 A N -0.155 122.668 122.820 0.006 0.000 2.066 429 A HA 0.587 4.907 4.320 0.001 0.000 0.198 429 A C 0.445 177.975 177.584 -0.089 0.000 1.405 429 A CA 0.166 52.191 52.037 -0.020 0.000 0.973 429 A CB 0.541 19.533 19.000 -0.013 0.000 1.026 429 A HN 0.199 nan 8.150 nan 0.000 0.474 430 I N 1.711 122.208 120.570 -0.121 0.000 2.418 430 I HA 0.223 4.394 4.170 0.001 0.000 0.287 430 I C -0.744 175.359 176.117 -0.023 0.000 1.008 430 I CA -0.493 60.721 61.300 -0.143 0.000 1.104 430 I CB 1.887 39.693 38.000 -0.323 0.000 1.264 430 I HN 0.200 nan 8.210 nan 0.000 0.438 431 E N 6.373 126.601 120.200 0.046 0.000 2.392 431 E HA 0.262 4.613 4.350 0.001 0.000 0.264 431 E C -0.849 175.829 176.600 0.130 0.000 1.024 431 E CA -0.101 56.343 56.400 0.075 0.000 0.903 431 E CB 1.103 30.822 29.700 0.033 0.000 0.963 431 E HN 0.423 nan 8.360 nan 0.000 0.432 432 L N 2.847 124.128 121.223 0.097 0.000 2.322 432 L HA 0.399 4.739 4.340 0.001 0.000 0.279 432 L C 0.157 176.995 176.870 -0.052 0.000 1.036 432 L CA -0.608 54.278 54.840 0.077 0.000 0.807 432 L CB 0.970 43.127 42.059 0.163 0.000 1.226 432 L HN 0.306 nan 8.230 nan 0.000 0.433 433 K N 1.980 122.280 120.400 -0.166 0.000 2.345 433 K HA 0.578 4.898 4.320 0.001 0.000 0.255 433 K C -0.591 175.602 176.600 -0.679 0.000 0.934 433 K CA -0.719 55.384 56.287 -0.307 0.000 0.801 433 K CB 2.304 34.716 32.500 -0.147 0.000 1.137 433 K HN 0.661 nan 8.250 nan 0.000 0.424 434 A N 1.699 124.015 122.820 -0.840 0.000 2.476 434 A HA 0.426 4.747 4.320 0.001 0.000 0.275 434 A C 1.142 178.461 177.584 -0.443 0.000 1.133 434 A CA 1.021 52.273 52.037 -1.309 0.000 0.797 434 A CB -0.953 17.585 19.000 -0.770 0.000 1.081 434 A HN 1.000 nan 8.150 nan 0.000 0.510 435 G N 1.283 109.831 108.800 -0.421 0.000 2.218 435 G HA2 -0.156 3.804 3.960 0.001 0.000 0.216 435 G HA3 -0.156 3.804 3.960 0.001 0.000 0.216 435 G C 0.530 175.300 174.900 -0.217 0.000 0.994 435 G CA 0.289 45.402 45.100 0.021 0.000 0.637 435 G HN 1.539 nan 8.290 nan 0.000 0.505 436 S N 0.531 115.761 115.700 -0.785 0.000 2.457 436 S HA 0.691 5.162 4.470 0.001 0.000 0.289 436 S C 1.493 175.834 174.600 -0.431 0.000 1.163 436 S CA 0.745 58.320 58.200 -1.042 0.000 1.078 436 S CB 1.259 63.472 63.200 -1.645 0.000 0.987 436 S HN 1.483 nan 8.310 nan 0.000 0.482 437 A N 4.088 126.747 122.820 -0.269 0.000 2.121 437 A HA 0.175 4.496 4.320 0.001 0.000 0.218 437 A C 1.544 178.996 177.584 -0.220 0.000 1.154 437 A CA 1.810 53.776 52.037 -0.119 0.000 0.679 437 A CB -1.387 17.627 19.000 0.022 0.000 0.795 437 A HN 1.925 nan 8.150 nan 0.000 0.458 438 T N -3.246 111.083 114.554 -0.374 0.000 14.125 438 T HA -0.259 4.092 4.350 0.001 0.000 0.419 438 T C 0.236 174.678 174.700 -0.429 0.000 1.441 438 T CA 1.168 62.870 62.100 -0.663 0.000 2.333 438 T CB -1.111 67.261 68.868 -0.828 0.000 2.760 438 T HN 0.773 nan 8.240 nan 0.000 0.277 439 R N 2.538 122.797 120.500 -0.401 0.000 2.778 439 R HA 0.666 5.007 4.340 0.001 0.000 0.277 439 R C -2.671 173.582 176.300 -0.078 0.000 0.977 439 R CA -2.258 53.709 56.100 -0.222 0.000 0.950 439 R CB 1.740 31.818 30.300 -0.370 0.000 1.165 439 R HN 0.549 nan 8.270 nan 0.000 0.474 440 P HA -0.048 nan 4.420 nan 0.000 0.269 440 P C -0.569 176.866 177.300 0.225 0.000 1.209 440 P CA -0.005 63.159 63.100 0.108 0.000 0.776 440 P CB 0.446 32.240 31.700 0.156 0.000 0.876 441 F N 2.624 122.661 119.950 0.146 0.000 2.435 441 F HA 0.229 4.757 4.527 0.001 0.000 0.316 441 F C 0.573 176.587 175.800 0.356 0.000 1.220 441 F CA -0.263 57.808 58.000 0.119 0.000 1.241 441 F CB -0.012 39.067 39.000 0.132 0.000 1.234 441 F HN 0.184 nan 8.300 nan 0.000 0.569 442 F N 2.567 122.257 119.950 -0.433 0.000 2.593 442 F HA 0.236 4.763 4.527 0.001 0.000 0.393 442 F C 1.410 177.449 175.800 0.399 0.000 1.037 442 F CA 0.676 58.534 58.000 -0.237 0.000 1.195 442 F CB -0.400 38.280 39.000 -0.533 0.000 1.034 442 F HN 0.716 nan 8.300 nan 0.000 0.552 443 G N 1.874 110.898 108.800 0.375 0.000 2.194 443 G HA2 -0.242 3.718 3.960 0.001 0.000 0.236 443 G HA3 -0.242 3.718 3.960 0.001 0.000 0.236 443 G C -0.358 174.819 174.900 0.462 0.000 0.987 443 G CA -0.192 45.271 45.100 0.606 0.000 0.635 443 G HN 0.565 nan 8.290 nan 0.000 0.520 444 V N 1.489 121.660 119.914 0.427 0.000 2.370 444 V HA 0.520 4.640 4.120 0.001 0.000 0.279 444 V C 0.293 176.587 176.094 0.334 0.000 1.029 444 V CA -0.195 62.303 62.300 0.330 0.000 0.870 444 V CB 1.557 33.547 31.823 0.278 0.000 0.984 444 V HN 0.361 nan 8.190 nan 0.000 0.451 445 Q N 6.391 126.359 119.800 0.280 0.000 2.644 445 Q HA 0.319 4.659 4.340 0.001 0.000 0.245 445 Q C -2.532 173.604 176.000 0.227 0.000 1.064 445 Q CA -1.679 54.286 55.803 0.270 0.000 0.860 445 Q CB 1.957 30.840 28.738 0.242 0.000 1.145 445 Q HN 0.537 nan 8.270 nan 0.000 0.515 446 P HA 0.405 nan 4.420 nan 0.000 0.279 446 P C -1.085 176.300 177.300 0.142 0.000 1.252 446 P CA -0.238 62.898 63.100 0.060 0.000 0.811 446 P CB 1.486 33.025 31.700 -0.268 0.000 1.035 447 A N 1.710 124.608 122.820 0.130 0.000 2.594 447 A HA 0.726 5.047 4.320 0.001 0.000 0.291 447 A C -1.476 176.174 177.584 0.110 0.000 1.105 447 A CA -0.764 51.362 52.037 0.149 0.000 0.694 447 A CB 1.027 20.100 19.000 0.121 0.000 1.291 447 A HN 0.427 nan 8.150 nan 0.000 0.410 448 L N 1.588 122.869 121.223 0.097 0.000 2.319 448 L HA 0.631 4.972 4.340 0.001 0.000 0.281 448 L C -0.364 176.470 176.870 -0.060 0.000 1.005 448 L CA -0.982 53.879 54.840 0.035 0.000 0.828 448 L CB 1.561 43.669 42.059 0.082 0.000 1.227 448 L HN 0.667 nan 8.230 nan 0.000 0.415 449 V N -1.069 118.726 119.914 -0.198 0.000 2.715 449 V HA 0.626 4.747 4.120 0.001 0.000 0.310 449 V C -0.427 175.492 176.094 -0.293 0.000 1.054 449 V CA -0.872 61.238 62.300 -0.316 0.000 0.928 449 V CB 1.857 33.295 31.823 -0.642 0.000 1.007 449 V HN 0.735 nan 8.190 nan 0.000 0.437 450 D N 2.181 122.476 120.400 -0.177 0.000 2.414 450 D HA 0.150 4.791 4.640 0.001 0.000 0.259 450 D C 0.711 176.943 176.300 -0.112 0.000 1.269 450 D CA -0.513 53.433 54.000 -0.090 0.000 1.028 450 D CB 0.115 40.930 40.800 0.025 0.000 1.093 450 D HN 0.406 nan 8.370 nan 0.000 0.545 451 N N -0.700 118.002 118.700 0.004 0.000 2.519 451 N HA -0.107 4.634 4.740 0.001 0.000 0.186 451 N C 0.371 175.938 175.510 0.094 0.000 1.062 451 N CA 0.618 53.721 53.050 0.089 0.000 0.910 451 N CB -0.073 38.450 38.487 0.061 0.000 0.958 451 N HN 0.457 nan 8.380 nan 0.000 0.445 452 E N -0.980 119.191 120.200 -0.048 0.000 2.476 452 E HA 0.264 4.614 4.350 0.001 0.000 0.196 452 E C 0.967 177.365 176.600 -0.337 0.000 1.029 452 E CA 0.020 56.298 56.400 -0.204 0.000 0.896 452 E CB 0.079 29.580 29.700 -0.331 0.000 1.012 452 E HN 0.250 nan 8.360 nan 0.000 0.475 453 G N 1.063 109.727 108.800 -0.227 0.000 2.143 453 G HA2 -0.324 3.636 3.960 0.001 0.000 0.248 453 G HA3 -0.324 3.636 3.960 0.001 0.000 0.248 453 G C -0.392 174.343 174.900 -0.274 0.000 0.991 453 G CA 0.068 44.993 45.100 -0.290 0.000 0.689 453 G HN 0.492 nan 8.290 nan 0.000 0.522 454 H N 1.769 120.789 119.070 -0.083 0.000 2.878 454 H HA 0.377 4.933 4.556 0.001 0.000 0.290 454 H C -1.920 173.358 175.328 -0.083 0.000 1.065 454 H CA -1.278 54.737 56.048 -0.055 0.000 1.477 454 H CB 0.888 30.632 29.762 -0.030 0.000 1.484 454 H HN 0.171 nan 8.280 nan 0.000 0.504 455 P HA -0.074 nan 4.420 nan 0.000 0.264 455 P C -0.580 176.739 177.300 0.033 0.000 1.193 455 P CA -0.070 63.041 63.100 0.018 0.000 0.763 455 P CB 0.856 32.579 31.700 0.040 0.000 0.810 456 Q N 1.040 120.850 119.800 0.017 0.000 2.278 456 Q HA 0.436 4.776 4.340 0.001 0.000 0.257 456 Q C 0.557 176.569 176.000 0.019 0.000 0.928 456 Q CA -0.252 55.560 55.803 0.015 0.000 0.932 456 Q CB 0.994 29.735 28.738 0.006 0.000 1.221 456 Q HN 0.585 nan 8.270 nan 0.000 0.434 457 E N 0.453 120.661 120.200 0.013 0.000 2.222 457 E HA 0.658 5.009 4.350 0.001 0.000 0.272 457 E C 0.625 177.224 176.600 -0.001 0.000 0.982 457 E CA -0.307 56.101 56.400 0.014 0.000 0.842 457 E CB 0.983 30.692 29.700 0.015 0.000 1.144 457 E HN 0.797 nan 8.360 nan 0.000 0.397 458 G N -0.162 108.635 108.800 -0.005 0.000 2.562 458 G HA2 0.262 4.222 3.960 0.001 0.000 0.250 458 G HA3 0.262 4.222 3.960 0.001 0.000 0.250 458 G C 0.819 175.697 174.900 -0.037 0.000 1.269 458 G CA 0.287 45.376 45.100 -0.019 0.000 0.919 458 G HN 2.093 nan 8.290 nan 0.000 0.574 459 A N -0.080 122.716 122.820 -0.040 0.000 2.476 459 A HA 0.664 4.984 4.320 0.001 0.000 0.275 459 A C 0.712 178.269 177.584 -0.044 0.000 1.133 459 A CA 1.972 53.979 52.037 -0.050 0.000 0.797 459 A CB -0.013 18.956 19.000 -0.051 0.000 1.081 459 A HN 2.147 nan 8.150 nan 0.000 0.510 460 T N 1.186 115.714 114.554 -0.044 0.000 2.693 460 T HA 0.564 4.914 4.350 0.001 0.000 0.304 460 T C -1.586 173.102 174.700 -0.019 0.000 1.471 460 T CA -0.178 61.904 62.100 -0.029 0.000 0.993 460 T CB 1.145 70.003 68.868 -0.017 0.000 1.554 460 T HN 0.879 nan 8.240 nan 0.000 0.496 461 E N 0.083 120.278 120.200 -0.007 0.000 2.393 461 E HA 0.776 5.126 4.350 0.001 0.000 0.273 461 E C -0.263 176.346 176.600 0.015 0.000 0.918 461 E CA -1.143 55.264 56.400 0.012 0.000 0.773 461 E CB 2.075 31.780 29.700 0.008 0.000 1.275 461 E HN 1.008 nan 8.360 nan 0.000 0.451 462 G N 0.838 109.655 108.800 0.028 0.000 2.341 462 G HA2 0.130 4.090 3.960 0.001 0.000 0.299 462 G HA3 0.130 4.090 3.960 0.001 0.000 0.299 462 G C -1.438 173.482 174.900 0.033 0.000 1.274 462 G CA -1.035 44.072 45.100 0.011 0.000 0.853 462 G HN 0.442 nan 8.290 nan 0.000 0.493 463 N N 0.432 119.127 118.700 -0.009 0.000 2.497 463 N HA 0.258 4.998 4.740 0.001 0.000 0.268 463 N C -0.551 175.006 175.510 0.077 0.000 1.171 463 N CA -0.171 52.929 53.050 0.083 0.000 0.948 463 N CB 1.995 40.423 38.487 -0.098 0.000 1.069 463 N HN 0.433 nan 8.380 nan 0.000 0.460 464 L N 4.369 125.720 121.223 0.214 0.000 2.261 464 L HA 0.276 4.617 4.340 0.001 0.000 0.289 464 L C -0.286 176.736 176.870 0.253 0.000 1.059 464 L CA -0.527 54.380 54.840 0.111 0.000 0.816 464 L CB 0.454 42.464 42.059 -0.082 0.000 1.191 464 L HN 0.305 nan 8.230 nan 0.000 0.431 465 V N 3.453 123.482 119.914 0.192 0.000 2.919 465 V HA 0.675 4.795 4.120 0.001 0.000 0.316 465 V C -0.288 175.985 176.094 0.298 0.000 1.077 465 V CA -0.868 61.603 62.300 0.285 0.000 0.977 465 V CB 2.102 34.048 31.823 0.206 0.000 1.039 465 V HN 0.513 nan 8.190 nan 0.000 0.441 466 I N 2.935 123.788 120.570 0.472 0.000 2.406 466 I HA 0.375 4.545 4.170 0.001 0.000 0.290 466 I C 1.314 177.818 176.117 0.646 0.000 0.999 466 I CA 0.039 61.645 61.300 0.510 0.000 1.124 466 I CB 1.541 39.880 38.000 0.565 0.000 1.289 466 I HN 1.000 nan 8.210 nan 0.000 0.441 467 T N -0.018 114.821 114.554 0.475 0.000 3.081 467 T HA 0.110 4.461 4.350 0.001 0.000 0.255 467 T C 0.430 175.314 174.700 0.306 0.000 1.113 467 T CA 0.365 62.715 62.100 0.416 0.000 1.082 467 T CB 0.351 69.374 68.868 0.258 0.000 0.939 467 T HN 0.560 nan 8.240 nan 0.000 0.506 468 D N -0.093 120.470 120.400 0.271 0.000 2.596 468 D HA 0.433 5.073 4.640 0.001 0.000 0.262 468 D C -1.160 175.219 176.300 0.131 0.000 1.210 468 D CA -0.491 53.431 54.000 -0.129 0.000 0.873 468 D CB 2.332 43.141 40.800 0.016 0.000 1.408 468 D HN 0.086 nan 8.370 nan 0.000 0.441 469 S N -0.065 115.584 115.700 -0.086 0.000 2.645 469 S HA 0.734 5.204 4.470 0.001 0.000 0.266 469 S C -1.020 173.905 174.600 0.541 0.000 1.258 469 S CA -0.431 57.927 58.200 0.264 0.000 0.990 469 S CB 0.349 63.633 63.200 0.141 0.000 0.967 469 S HN 0.373 nan 8.310 nan 0.000 0.556 470 W N 0.636 122.013 121.300 0.127 0.000 3.167 470 W HA 0.533 5.194 4.660 0.001 0.000 0.324 470 W C -2.945 172.893 176.519 -1.135 0.000 1.230 470 W CA -1.954 55.131 57.345 -0.433 0.000 1.184 470 W CB 0.052 29.271 29.460 -0.401 0.000 1.414 470 W HN 0.345 nan 8.180 nan 0.000 0.551 471 P HA -0.090 nan 4.420 nan 0.000 0.217 471 P C 1.546 178.178 177.300 -1.113 0.000 1.148 471 P CA 2.825 64.593 63.100 -2.220 0.000 0.828 471 P CB 0.094 30.806 31.700 -1.648 0.000 0.783 472 G N -1.410 106.848 108.800 -0.904 0.000 3.042 472 G HA2 -0.061 3.900 3.960 0.001 0.000 0.212 472 G HA3 -0.061 3.900 3.960 0.001 0.000 0.212 472 G C 0.475 175.316 174.900 -0.100 0.000 1.166 472 G CA -0.140 44.793 45.100 -0.279 0.000 0.767 472 G HN 0.276 nan 8.290 nan 0.000 0.546 473 Q N 0.909 120.287 119.800 -0.704 0.000 2.315 473 Q HA 0.406 4.746 4.340 0.001 0.000 0.289 473 Q C 0.561 176.429 176.000 -0.220 0.000 1.044 473 Q CA -0.398 55.010 55.803 -0.658 0.000 0.920 473 Q CB 0.583 28.476 28.738 -1.410 0.000 1.214 473 Q HN 0.232 nan 8.270 nan 0.000 0.392 474 A N 4.274 126.989 122.820 -0.175 0.000 2.498 474 A HA 0.023 4.343 4.320 0.001 0.000 0.239 474 A C 0.497 177.880 177.584 -0.335 0.000 1.068 474 A CA -0.187 51.529 52.037 -0.534 0.000 0.766 474 A CB 0.405 19.104 19.000 -0.501 0.000 1.003 474 A HN 0.894 nan 8.150 nan 0.000 0.497 475 R N 0.337 120.567 120.500 -0.449 0.000 2.223 475 R HA 0.147 4.487 4.340 0.001 0.000 0.198 475 R C 0.466 176.311 176.300 -0.759 0.000 0.984 475 R CA 1.140 57.020 56.100 -0.367 0.000 1.018 475 R CB -0.325 29.825 30.300 -0.249 0.000 0.945 475 R HN 0.808 nan 8.270 nan 0.000 0.479 476 T N -0.799 113.069 114.554 -1.144 0.000 2.686 476 T HA 0.385 4.735 4.350 0.001 0.000 0.308 476 T C -1.871 172.386 174.700 -0.737 0.000 1.667 476 T CA -0.659 60.637 62.100 -1.339 0.000 0.987 476 T CB 0.710 69.350 68.868 -0.379 0.000 1.652 476 T HN -0.078 nan 8.240 nan 0.000 0.496 477 L N 2.672 123.741 121.223 -0.256 0.000 2.282 477 L HA 0.546 4.886 4.340 0.001 0.000 0.288 477 L C -0.023 176.875 176.870 0.046 0.000 1.033 477 L CA -0.936 53.928 54.840 0.040 0.000 0.807 477 L CB 0.992 43.189 42.059 0.231 0.000 1.209 477 L HN 0.704 nan 8.230 nan 0.000 0.423 478 F N 3.641 123.538 119.950 -0.088 0.000 2.549 478 F HA 0.111 4.639 4.527 0.001 0.000 0.400 478 F C 1.307 177.106 175.800 -0.002 0.000 1.011 478 F CA 0.761 58.721 58.000 -0.067 0.000 1.148 478 F CB -0.049 38.902 39.000 -0.081 0.000 0.993 478 F HN 0.755 nan 8.300 nan 0.000 0.540 479 G N 4.247 112.677 108.800 -0.617 0.000 2.249 479 G HA2 -0.288 3.672 3.960 0.001 0.000 0.273 479 G HA3 -0.288 3.672 3.960 0.001 0.000 0.273 479 G C -0.211 174.554 174.900 -0.225 0.000 1.036 479 G CA 0.427 45.188 45.100 -0.567 0.000 0.824 479 G HN 0.989 nan 8.290 nan 0.000 0.504 480 D N -1.962 118.389 120.400 -0.081 0.000 3.117 480 D HA 0.153 4.794 4.640 0.001 0.000 0.241 480 D C 0.732 177.103 176.300 0.119 0.000 1.385 480 D CA -0.464 53.548 54.000 0.020 0.000 0.855 480 D CB -0.370 40.446 40.800 0.028 0.000 1.498 480 D HN 0.201 nan 8.370 nan 0.000 0.584 481 H N 0.744 119.833 119.070 0.033 0.000 2.456 481 H HA -0.035 4.522 4.556 0.001 0.000 0.296 481 H C 1.209 176.656 175.328 0.198 0.000 1.079 481 H CA 2.043 58.161 56.048 0.116 0.000 1.322 481 H CB 0.719 30.511 29.762 0.050 0.000 1.388 481 H HN 0.190 nan 8.280 nan 0.000 0.538 482 E N -0.728 119.539 120.200 0.111 0.000 2.072 482 E HA -0.130 4.220 4.350 0.001 0.000 0.190 482 E C 2.549 179.168 176.600 0.032 0.000 0.982 482 E CA 0.973 57.401 56.400 0.048 0.000 0.803 482 E CB -0.194 29.537 29.700 0.051 0.000 0.755 482 E HN 0.124 nan 8.360 nan 0.000 0.453 483 R N -0.297 120.240 120.500 0.062 0.000 2.083 483 R HA -0.152 4.189 4.340 0.001 0.000 0.237 483 R C 2.162 178.512 176.300 0.082 0.000 1.137 483 R CA 1.515 57.647 56.100 0.054 0.000 0.951 483 R CB -1.314 29.029 30.300 0.073 0.000 0.851 483 R HN 0.408 nan 8.270 nan 0.000 0.434 484 F N 1.604 121.559 119.950 0.008 0.000 2.043 484 F HA -0.167 4.360 4.527 0.001 0.000 0.297 484 F C 2.512 178.422 175.800 0.183 0.000 1.121 484 F CA 2.486 60.555 58.000 0.115 0.000 1.199 484 F CB -0.874 38.147 39.000 0.034 0.000 0.968 484 F HN 0.387 nan 8.300 nan 0.000 0.478 485 E N -0.333 119.796 120.200 -0.118 0.000 2.118 485 E HA -0.336 4.015 4.350 0.001 0.000 0.195 485 E C 2.309 178.909 176.600 -0.001 0.000 0.992 485 E CA 1.564 57.911 56.400 -0.089 0.000 0.804 485 E CB -0.400 29.226 29.700 -0.123 0.000 0.741 485 E HN 0.716 nan 8.360 nan 0.000 0.458 486 Q N -0.375 119.396 119.800 -0.049 0.000 2.083 486 Q HA -0.117 4.224 4.340 0.001 0.000 0.198 486 Q C 1.940 177.841 176.000 -0.165 0.000 0.969 486 Q CA 1.945 57.703 55.803 -0.076 0.000 0.838 486 Q CB 0.039 28.741 28.738 -0.060 0.000 0.900 486 Q HN 0.240 nan 8.270 nan 0.000 0.436 487 T N -0.323 114.067 114.554 -0.272 0.000 2.746 487 T HA -0.136 4.214 4.350 0.001 0.000 0.267 487 T C 0.772 175.030 174.700 -0.737 0.000 1.039 487 T CA 1.626 63.384 62.100 -0.570 0.000 1.142 487 T CB -0.188 68.183 68.868 -0.829 0.000 0.866 487 T HN 0.451 nan 8.240 nan 0.000 0.444 488 Y N -1.698 118.404 120.300 -0.329 0.000 2.467 488 Y HA 0.404 4.954 4.550 0.001 0.000 0.259 488 Y C 0.912 176.333 175.900 -0.798 0.000 1.084 488 Y CA -0.520 57.185 58.100 -0.658 0.000 1.275 488 Y CB 0.552 38.446 38.460 -0.944 0.000 1.208 488 Y HN 0.118 nan 8.280 nan 0.000 0.511 489 F N -1.138 118.736 119.950 -0.126 0.000 2.764 489 F HA 0.240 4.767 4.527 0.001 0.000 0.310 489 F C 1.568 177.321 175.800 -0.077 0.000 1.124 489 F CA -0.092 57.846 58.000 -0.103 0.000 1.252 489 F CB 0.436 39.337 39.000 -0.163 0.000 1.010 489 F HN -0.021 nan 8.300 nan 0.000 0.518 490 S N -2.463 113.241 115.700 0.006 0.000 2.539 490 S HA -0.003 4.468 4.470 0.001 0.000 0.226 490 S C 1.669 176.189 174.600 -0.134 0.000 1.054 490 S CA 0.588 58.767 58.200 -0.036 0.000 0.910 490 S CB -0.406 62.763 63.200 -0.052 0.000 0.818 490 S HN 0.116 nan 8.310 nan 0.000 0.490 491 T N 1.736 116.134 114.554 -0.261 0.000 2.737 491 T HA 0.186 4.537 4.350 0.001 0.000 0.265 491 T C -0.158 174.087 174.700 -0.759 0.000 1.038 491 T CA 1.001 62.748 62.100 -0.588 0.000 1.144 491 T CB -0.413 67.959 68.868 -0.827 0.000 0.866 491 T HN 0.498 nan 8.240 nan 0.000 0.434 492 F N 1.664 121.528 119.950 -0.143 0.000 2.513 492 F HA 0.377 4.904 4.527 0.001 0.000 0.358 492 F C 0.112 175.914 175.800 0.003 0.000 1.118 492 F CA -1.453 56.479 58.000 -0.113 0.000 1.037 492 F CB 0.997 39.889 39.000 -0.180 0.000 1.276 492 F HN -0.402 nan 8.300 nan 0.000 0.446 493 K N 1.824 122.324 120.400 0.166 0.000 2.511 493 K HA 0.060 4.380 4.320 0.001 0.000 0.280 493 K C 0.948 177.682 176.600 0.223 0.000 1.008 493 K CA 1.052 57.434 56.287 0.159 0.000 1.050 493 K CB -0.091 32.474 32.500 0.109 0.000 0.889 493 K HN 0.975 nan 8.250 nan 0.000 0.484 494 N N 1.546 120.409 118.700 0.273 0.000 2.800 494 N HA -0.225 4.515 4.740 0.001 0.000 0.250 494 N C -0.073 175.767 175.510 0.549 0.000 1.078 494 N CA 1.923 55.194 53.050 0.370 0.000 0.804 494 N CB -1.781 36.863 38.487 0.262 0.000 1.135 494 N HN 0.574 nan 8.380 nan 0.000 0.565 495 M N -0.947 118.951 119.600 0.495 0.000 2.457 495 M HA 0.455 4.936 4.480 0.001 0.000 0.300 495 M C -0.728 175.754 176.300 0.303 0.000 1.141 495 M CA -0.867 54.748 55.300 0.526 0.000 0.901 495 M CB 2.106 34.930 32.600 0.374 0.000 1.687 495 M HN 0.365 nan 8.290 nan 0.000 0.449 496 Y N 3.068 123.468 120.300 0.166 0.000 2.436 496 Y HA 0.350 4.900 4.550 0.001 0.000 0.343 496 Y C -1.418 174.562 175.900 0.132 0.000 1.008 496 Y CA -0.311 57.649 58.100 -0.233 0.000 1.241 496 Y CB 0.330 38.755 38.460 -0.059 0.000 1.153 496 Y HN 0.485 nan 8.280 nan 0.000 0.521 497 F N 6.219 125.691 119.950 -0.797 0.000 2.405 497 F HA 0.277 4.804 4.527 0.001 0.000 0.355 497 F C 1.109 176.544 175.800 -0.607 0.000 1.121 497 F CA -1.046 56.706 58.000 -0.413 0.000 1.112 497 F CB 1.205 40.135 39.000 -0.116 0.000 1.126 497 F HN 0.598 nan 8.300 nan 0.000 0.481 498 S N 3.350 118.761 115.700 -0.482 0.000 2.446 498 S HA 0.207 4.677 4.470 0.001 0.000 0.225 498 S C 1.631 175.959 174.600 -0.453 0.000 1.016 498 S CA 0.584 58.641 58.200 -0.239 0.000 0.943 498 S CB -0.471 62.925 63.200 0.327 0.000 0.786 498 S HN 1.740 nan 8.310 nan 0.000 0.508 499 G N 0.690 108.761 108.800 -1.216 0.000 2.175 499 G HA2 -0.170 3.790 3.960 0.001 0.000 0.244 499 G HA3 -0.170 3.790 3.960 0.001 0.000 0.244 499 G C -0.356 174.375 174.900 -0.281 0.000 0.982 499 G CA 0.202 44.780 45.100 -0.869 0.000 0.641 499 G HN 0.559 nan 8.290 nan 0.000 0.527 500 D N 0.490 120.827 120.400 -0.104 0.000 2.268 500 D HA 0.580 5.220 4.640 0.001 0.000 0.249 500 D C 0.708 177.083 176.300 0.125 0.000 1.008 500 D CA 0.681 54.721 54.000 0.067 0.000 0.939 500 D CB 1.480 42.348 40.800 0.113 0.000 1.170 500 D HN 0.390 nan 8.370 nan 0.000 0.468 501 G N -0.851 108.008 108.800 0.099 0.000 2.441 501 G HA2 0.668 4.628 3.960 0.001 0.000 0.334 501 G HA3 0.668 4.628 3.960 0.001 0.000 0.334 501 G C -1.178 173.745 174.900 0.038 0.000 1.161 501 G CA -0.429 44.726 45.100 0.092 0.000 0.935 501 G HN 0.540 nan 8.290 nan 0.000 0.488 502 A N 0.868 123.720 122.820 0.053 0.000 2.610 502 A HA 0.875 5.195 4.320 0.001 0.000 0.291 502 A C -0.463 177.187 177.584 0.111 0.000 1.086 502 A CA -0.875 51.208 52.037 0.077 0.000 0.677 502 A CB 1.606 20.638 19.000 0.053 0.000 1.278 502 A HN 1.224 nan 8.150 nan 0.000 0.414 503 R N 0.519 121.108 120.500 0.148 0.000 2.711 503 R HA 0.821 5.162 4.340 0.001 0.000 0.284 503 R C -0.575 175.796 176.300 0.119 0.000 0.968 503 R CA -0.714 55.446 56.100 0.099 0.000 0.924 503 R CB 1.709 32.023 30.300 0.024 0.000 1.162 503 R HN 0.711 nan 8.270 nan 0.000 0.465 504 R N 1.734 122.217 120.500 -0.028 0.000 2.445 504 R HA 0.177 4.517 4.340 0.001 0.000 0.308 504 R C -0.902 175.367 176.300 -0.053 0.000 0.961 504 R CA -0.627 55.357 56.100 -0.193 0.000 0.862 504 R CB 1.102 31.137 30.300 -0.441 0.000 1.144 504 R HN 0.925 nan 8.270 nan 0.000 0.447 505 D N 2.840 123.269 120.400 0.048 0.000 2.506 505 D HA 0.121 4.761 4.640 0.001 0.000 0.272 505 D C 1.025 177.316 176.300 -0.014 0.000 1.214 505 D CA 0.040 54.060 54.000 0.033 0.000 1.067 505 D CB 0.232 41.112 40.800 0.133 0.000 1.117 505 D HN 0.545 nan 8.370 nan 0.000 0.578 506 E N -0.515 119.666 120.200 -0.032 0.000 2.204 506 E HA -0.154 4.196 4.350 0.001 0.000 0.195 506 E C 1.146 177.729 176.600 -0.028 0.000 0.990 506 E CA 1.617 57.994 56.400 -0.039 0.000 0.821 506 E CB -0.852 28.818 29.700 -0.051 0.000 0.750 506 E HN 0.548 nan 8.360 nan 0.000 0.477 507 D N -1.182 119.199 120.400 -0.031 0.000 2.340 507 D HA 0.228 4.868 4.640 0.001 0.000 0.220 507 D C 1.316 177.695 176.300 0.132 0.000 1.039 507 D CA 0.830 54.828 54.000 -0.003 0.000 0.866 507 D CB 0.517 41.212 40.800 -0.175 0.000 0.913 507 D HN 0.589 nan 8.370 nan 0.000 0.523 508 G N 0.662 109.508 108.800 0.076 0.000 2.143 508 G HA2 -0.298 3.662 3.960 0.001 0.000 0.249 508 G HA3 -0.298 3.662 3.960 0.001 0.000 0.249 508 G C -0.088 174.816 174.900 0.007 0.000 0.981 508 G CA -0.346 44.756 45.100 0.005 0.000 0.665 508 G HN 0.228 nan 8.290 nan 0.000 0.528 509 Y N 0.105 120.318 120.300 -0.145 0.000 2.425 509 Y HA 0.512 5.063 4.550 0.001 0.000 0.331 509 Y C 0.910 176.678 175.900 -0.220 0.000 1.157 509 Y CA -0.859 57.145 58.100 -0.160 0.000 1.372 509 Y CB 0.213 38.581 38.460 -0.154 0.000 1.253 509 Y HN 0.214 nan 8.280 nan 0.000 0.536 510 Y N 1.392 121.638 120.300 -0.090 0.000 2.310 510 Y HA 0.270 4.821 4.550 0.001 0.000 0.326 510 Y C -0.885 174.890 175.900 -0.209 0.000 1.151 510 Y CA -0.666 57.396 58.100 -0.063 0.000 1.195 510 Y CB 0.810 39.196 38.460 -0.125 0.000 1.210 510 Y HN 0.519 nan 8.280 nan 0.000 0.483 511 W N 4.672 126.028 121.300 0.093 0.000 2.463 511 W HA 0.512 5.173 4.660 0.001 0.000 0.316 511 W C -1.465 175.062 176.519 0.014 0.000 1.004 511 W CA -0.707 56.664 57.345 0.044 0.000 1.309 511 W CB 0.575 30.044 29.460 0.014 0.000 1.288 511 W HN 0.215 nan 8.180 nan 0.000 0.423 512 I N 3.037 123.684 120.570 0.128 0.000 2.396 512 I HA 0.092 4.263 4.170 0.001 0.000 0.289 512 I C 1.602 177.778 176.117 0.098 0.000 1.056 512 I CA 0.409 61.718 61.300 0.015 0.000 1.365 512 I CB 1.010 38.927 38.000 -0.139 0.000 1.407 512 I HN 0.540 nan 8.210 nan 0.000 0.509 513 T N 1.487 116.091 114.554 0.082 0.000 3.044 513 T HA 0.585 4.936 4.350 0.001 0.000 0.250 513 T C 0.797 175.544 174.700 0.079 0.000 1.081 513 T CA 0.209 62.362 62.100 0.089 0.000 1.040 513 T CB 0.003 68.915 68.868 0.074 0.000 0.962 513 T HN 0.952 nan 8.240 nan 0.000 0.506 514 G N 1.250 110.098 108.800 0.080 0.000 2.331 514 G HA2 0.145 4.106 3.960 0.001 0.000 0.402 514 G HA3 0.145 4.106 3.960 0.001 0.000 0.402 514 G C -1.589 173.361 174.900 0.082 0.000 1.275 514 G CA -1.305 43.847 45.100 0.087 0.000 1.003 514 G HN 0.351 nan 8.290 nan 0.000 0.500 515 R N 0.043 120.586 120.500 0.070 0.000 2.590 515 R HA 0.337 4.677 4.340 0.001 0.000 0.274 515 R C 1.604 177.944 176.300 0.066 0.000 1.061 515 R CA 0.412 56.545 56.100 0.056 0.000 1.081 515 R CB 0.920 31.241 30.300 0.035 0.000 0.984 515 R HN 1.309 nan 8.270 nan 0.000 0.448 516 V N -1.936 118.030 119.914 0.087 0.000 3.660 516 V HA 0.053 4.174 4.120 0.001 0.000 0.276 516 V C 0.527 176.684 176.094 0.106 0.000 1.317 516 V CA 0.102 62.474 62.300 0.120 0.000 1.097 516 V CB -0.320 31.626 31.823 0.205 0.000 0.863 516 V HN 0.646 nan 8.190 nan 0.000 0.438 517 D N -0.283 120.158 120.400 0.069 0.000 2.567 517 D HA 0.208 4.848 4.640 0.001 0.000 0.275 517 D C -0.383 175.934 176.300 0.029 0.000 1.195 517 D CA -0.786 53.242 54.000 0.046 0.000 1.087 517 D CB 0.150 40.955 40.800 0.007 0.000 1.165 517 D HN 0.093 nan 8.370 nan 0.000 0.609 518 D N -0.382 120.029 120.400 0.018 0.000 3.057 518 D HA 0.260 4.901 4.640 0.001 0.000 0.246 518 D C -0.642 175.671 176.300 0.022 0.000 1.238 518 D CA -0.074 53.939 54.000 0.022 0.000 0.949 518 D CB 0.341 41.153 40.800 0.020 0.000 1.086 518 D HN 0.047 nan 8.370 nan 0.000 0.487 519 V N 1.447 121.374 119.914 0.021 0.000 2.588 519 V HA 0.400 4.520 4.120 0.001 0.000 0.304 519 V C 0.183 176.290 176.094 0.021 0.000 1.042 519 V CA -0.836 61.476 62.300 0.020 0.000 0.877 519 V CB 2.512 34.342 31.823 0.011 0.000 0.996 519 V HN 0.106 nan 8.190 nan 0.000 0.425 520 L N 2.941 124.176 121.223 0.020 0.000 2.352 520 L HA 0.588 4.929 4.340 0.001 0.000 0.269 520 L C -0.065 176.801 176.870 -0.006 0.000 1.034 520 L CA -0.553 54.297 54.840 0.016 0.000 0.806 520 L CB 1.300 43.374 42.059 0.025 0.000 1.244 520 L HN 0.672 nan 8.230 nan 0.000 0.447 521 N N 0.829 119.523 118.700 -0.011 0.000 2.558 521 N HA 0.389 5.129 4.740 0.001 0.000 0.242 521 N C -1.512 173.976 175.510 -0.036 0.000 0.979 521 N CA -0.367 52.657 53.050 -0.043 0.000 0.931 521 N CB 1.158 39.616 38.487 -0.048 0.000 1.122 521 N HN 0.295 nan 8.380 nan 0.000 0.508 522 V N 2.918 122.811 119.914 -0.035 0.000 2.313 522 V HA 0.310 4.431 4.120 0.001 0.000 0.278 522 V C 0.339 176.430 176.094 -0.006 0.000 1.017 522 V CA -0.696 61.595 62.300 -0.016 0.000 0.823 522 V CB 0.706 32.530 31.823 0.002 0.000 1.010 522 V HN 0.881 nan 8.190 nan 0.000 0.443 523 S N 3.827 119.496 115.700 -0.052 0.000 3.641 523 S HA -0.208 4.262 4.470 0.001 0.000 0.346 523 S C 1.460 175.872 174.600 -0.313 0.000 1.074 523 S CA 1.289 59.436 58.200 -0.089 0.000 1.026 523 S CB -1.380 61.838 63.200 0.030 0.000 0.908 523 S HN 2.160 nan 8.310 nan 0.000 0.479 524 G N -0.492 108.118 108.800 -0.317 0.000 2.162 524 G HA2 -0.313 3.647 3.960 0.001 0.000 0.260 524 G HA3 -0.313 3.647 3.960 0.001 0.000 0.260 524 G C -0.318 174.171 174.900 -0.685 0.000 0.976 524 G CA 0.607 45.426 45.100 -0.469 0.000 0.655 524 G HN 0.875 nan 8.290 nan 0.000 0.533 525 H N -0.364 118.500 119.070 -0.343 0.000 2.467 525 H HA 0.583 5.140 4.556 0.001 0.000 0.326 525 H C 0.548 175.692 175.328 -0.307 0.000 1.094 525 H CA -0.578 55.190 56.048 -0.467 0.000 1.253 525 H CB 1.007 30.511 29.762 -0.430 0.000 1.439 525 H HN 0.274 nan 8.280 nan 0.000 0.479 526 R N 4.174 124.537 120.500 -0.229 0.000 2.216 526 R HA 0.371 4.711 4.340 0.001 0.000 0.332 526 R C -1.416 174.866 176.300 -0.029 0.000 1.056 526 R CA -0.328 55.701 56.100 -0.118 0.000 0.901 526 R CB 0.079 30.300 30.300 -0.132 0.000 1.039 526 R HN 0.608 nan 8.270 nan 0.000 0.456 527 L N 3.298 124.527 121.223 0.009 0.000 2.431 527 L HA 0.478 4.819 4.340 0.001 0.000 0.266 527 L C 0.314 177.215 176.870 0.051 0.000 0.978 527 L CA -1.178 53.694 54.840 0.054 0.000 0.822 527 L CB 2.294 44.386 42.059 0.055 0.000 1.310 527 L HN 0.776 nan 8.230 nan 0.000 0.409 528 G N -0.417 108.423 108.800 0.066 0.000 2.390 528 G HA2 0.341 4.301 3.960 0.001 0.000 0.270 528 G HA3 0.341 4.301 3.960 0.001 0.000 0.270 528 G C 1.038 175.971 174.900 0.055 0.000 1.211 528 G CA 0.312 45.444 45.100 0.054 0.000 0.842 528 G HN 0.777 nan 8.290 nan 0.000 0.519 529 T N 0.039 114.622 114.554 0.048 0.000 2.788 529 T HA -0.121 4.230 4.350 0.001 0.000 0.268 529 T C 2.538 177.271 174.700 0.055 0.000 1.044 529 T CA 1.783 63.916 62.100 0.054 0.000 1.139 529 T CB -0.261 68.639 68.868 0.053 0.000 0.867 529 T HN 0.653 nan 8.240 nan 0.000 0.454 530 A N 2.660 125.508 122.820 0.047 0.000 1.933 530 A HA -0.123 4.197 4.320 0.001 0.000 0.218 530 A C 2.360 179.978 177.584 0.056 0.000 1.175 530 A CA 1.829 53.893 52.037 0.046 0.000 0.628 530 A CB -0.794 18.227 19.000 0.035 0.000 0.814 530 A HN 0.887 nan 8.150 nan 0.000 0.444 531 E N -0.036 120.200 120.200 0.060 0.000 2.150 531 E HA -0.141 4.209 4.350 0.001 0.000 0.193 531 E C 1.777 178.424 176.600 0.078 0.000 0.985 531 E CA 1.309 57.750 56.400 0.067 0.000 0.814 531 E CB -0.430 29.313 29.700 0.072 0.000 0.752 531 E HN 0.641 nan 8.360 nan 0.000 0.466 532 I N 1.330 121.947 120.570 0.078 0.000 2.286 532 I HA -0.177 3.993 4.170 0.001 0.000 0.245 532 I C 2.281 178.452 176.117 0.091 0.000 1.104 532 I CA 1.198 62.548 61.300 0.083 0.000 1.397 532 I CB -0.262 37.780 38.000 0.070 0.000 1.072 532 I HN 0.089 nan 8.210 nan 0.000 0.417 533 E N 0.536 120.785 120.200 0.081 0.000 2.118 533 E HA -0.189 4.161 4.350 0.001 0.000 0.195 533 E C 2.338 178.994 176.600 0.093 0.000 0.992 533 E CA 1.452 57.901 56.400 0.082 0.000 0.804 533 E CB -0.068 29.673 29.700 0.068 0.000 0.741 533 E HN 0.311 nan 8.360 nan 0.000 0.458 534 S N 0.195 115.949 115.700 0.091 0.000 2.356 534 S HA -0.162 4.309 4.470 0.001 0.000 0.223 534 S C 2.075 176.766 174.600 0.152 0.000 1.032 534 S CA 0.982 59.243 58.200 0.101 0.000 1.005 534 S CB -0.188 63.060 63.200 0.080 0.000 0.867 534 S HN 0.405 nan 8.310 nan 0.000 0.449 535 A N 1.299 124.216 122.820 0.161 0.000 1.883 535 A HA -0.070 4.251 4.320 0.001 0.000 0.217 535 A C 2.116 179.944 177.584 0.406 0.000 1.186 535 A CA 1.321 53.504 52.037 0.243 0.000 0.624 535 A CB -0.805 18.291 19.000 0.159 0.000 0.822 535 A HN 0.460 nan 8.150 nan 0.000 0.444 536 L N -0.658 120.723 121.223 0.264 0.000 1.955 536 L HA -0.183 4.157 4.340 0.001 0.000 0.213 536 L C 2.497 179.455 176.870 0.146 0.000 1.072 536 L CA 1.471 56.434 54.840 0.204 0.000 0.755 536 L CB -0.737 41.385 42.059 0.105 0.000 0.888 536 L HN 0.233 nan 8.230 nan 0.000 0.432 537 V N 0.297 120.283 119.914 0.120 0.000 2.527 537 V HA -0.340 3.781 4.120 0.001 0.000 0.255 537 V C 2.589 178.738 176.094 0.092 0.000 1.081 537 V CA 1.703 64.053 62.300 0.083 0.000 1.092 537 V CB -1.068 30.797 31.823 0.071 0.000 0.673 537 V HN 0.534 nan 8.190 nan 0.000 0.470 538 A N -1.649 121.287 122.820 0.194 0.000 2.121 538 A HA -0.137 4.184 4.320 0.001 0.000 0.218 538 A C 1.393 179.031 177.584 0.090 0.000 1.154 538 A CA 0.456 52.642 52.037 0.249 0.000 0.679 538 A CB -0.628 18.626 19.000 0.423 0.000 0.795 538 A HN 0.647 nan 8.150 nan 0.000 0.458 539 H N 0.656 119.498 119.070 -0.381 0.000 2.886 539 H HA 0.110 4.667 4.556 0.001 0.000 0.329 539 H C -1.944 173.051 175.328 -0.554 0.000 1.044 539 H CA -1.355 53.997 56.048 -1.160 0.000 1.456 539 H CB 1.137 30.158 29.762 -1.234 0.000 1.464 539 H HN 0.040 nan 8.280 nan 0.000 0.573 540 P HA -0.028 nan 4.420 nan 0.000 0.231 540 P C 0.402 177.624 177.300 -0.129 0.000 1.158 540 P CA 1.226 64.123 63.100 -0.338 0.000 0.763 540 P CB 0.237 31.724 31.700 -0.354 0.000 0.805 541 K N -1.365 119.078 120.400 0.072 0.000 2.373 541 K HA 0.234 4.554 4.320 0.001 0.000 0.200 541 K C 0.511 177.134 176.600 0.038 0.000 1.054 541 K CA -0.069 56.264 56.287 0.076 0.000 1.065 541 K CB 0.575 33.143 32.500 0.113 0.000 0.886 541 K HN 0.164 nan 8.250 nan 0.000 0.546 542 I N 0.940 121.539 120.570 0.048 0.000 2.331 542 I HA 0.125 4.295 4.170 0.001 0.000 0.292 542 I C 0.987 177.107 176.117 0.006 0.000 0.998 542 I CA -0.322 60.989 61.300 0.019 0.000 1.267 542 I CB 1.757 39.762 38.000 0.008 0.000 1.386 542 I HN 0.036 nan 8.210 nan 0.000 0.476 543 A N 4.996 127.819 122.820 0.004 0.000 1.984 543 A HA 0.133 4.454 4.320 0.001 0.000 0.214 543 A C 0.671 178.260 177.584 0.009 0.000 1.173 543 A CA 0.895 52.922 52.037 -0.016 0.000 0.673 543 A CB 0.171 19.140 19.000 -0.050 0.000 0.830 543 A HN 0.789 nan 8.150 nan 0.000 0.453 544 E N -2.435 117.786 120.200 0.035 0.000 2.422 544 E HA 0.573 4.923 4.350 0.001 0.000 0.289 544 E C -1.558 175.084 176.600 0.070 0.000 0.985 544 E CA -0.150 56.278 56.400 0.045 0.000 0.812 544 E CB 1.834 31.558 29.700 0.040 0.000 1.226 544 E HN 0.468 nan 8.360 nan 0.000 0.419 545 A N 1.899 124.760 122.820 0.068 0.000 2.520 545 A HA 0.901 5.222 4.320 0.001 0.000 0.298 545 A C -1.562 176.072 177.584 0.083 0.000 1.051 545 A CA -0.062 52.027 52.037 0.086 0.000 0.690 545 A CB 1.834 20.881 19.000 0.078 0.000 1.281 545 A HN 0.590 nan 8.150 nan 0.000 0.402 546 A N 1.213 124.104 122.820 0.118 0.000 2.343 546 A HA 0.704 5.025 4.320 0.001 0.000 0.308 546 A C -1.048 176.657 177.584 0.202 0.000 1.092 546 A CA -0.464 51.639 52.037 0.111 0.000 0.751 546 A CB 1.267 20.283 19.000 0.026 0.000 1.203 546 A HN 1.327 nan 8.150 nan 0.000 0.452 547 V N 3.453 123.456 119.914 0.149 0.000 2.417 547 V HA 0.609 4.729 4.120 0.001 0.000 0.291 547 V C 0.107 176.292 176.094 0.151 0.000 1.024 547 V CA -0.405 61.990 62.300 0.159 0.000 0.861 547 V CB 1.302 33.185 31.823 0.100 0.000 0.985 547 V HN 1.071 nan 8.190 nan 0.000 0.436 548 V N 2.061 122.092 119.914 0.195 0.000 2.960 548 V HA 1.017 5.138 4.120 0.001 0.000 0.315 548 V C 0.337 176.501 176.094 0.116 0.000 1.087 548 V CA -0.594 61.786 62.300 0.133 0.000 0.982 548 V CB 1.878 33.772 31.823 0.118 0.000 1.039 548 V HN 0.869 nan 8.190 nan 0.000 0.437 549 G N 2.365 111.209 108.800 0.074 0.000 2.356 549 G HA2 0.668 4.629 3.960 0.001 0.000 0.298 549 G HA3 0.668 4.629 3.960 0.001 0.000 0.298 549 G C -0.527 174.402 174.900 0.048 0.000 1.145 549 G CA -0.544 44.596 45.100 0.066 0.000 0.850 549 G HN 1.385 nan 8.290 nan 0.000 0.487 550 I N -0.057 120.553 120.570 0.067 0.000 2.846 550 I HA 0.646 4.817 4.170 0.001 0.000 0.307 550 I C -2.705 173.459 176.117 0.079 0.000 1.053 550 I CA -3.239 58.091 61.300 0.051 0.000 1.050 550 I CB 2.530 40.561 38.000 0.052 0.000 1.239 550 I HN 0.167 nan 8.210 nan 0.000 0.439 551 P HA 0.098 nan 4.420 nan 0.000 0.265 551 P C -1.440 175.926 177.300 0.110 0.000 1.193 551 P CA 0.629 63.769 63.100 0.066 0.000 0.765 551 P CB 0.096 31.814 31.700 0.030 0.000 0.823 552 H N 1.278 120.358 119.070 0.017 0.000 2.856 552 H HA 0.539 5.095 4.556 0.001 0.000 0.355 552 H C 0.728 176.058 175.328 0.005 0.000 1.079 552 H CA -0.539 55.518 56.048 0.015 0.000 1.240 552 H CB 1.616 31.389 29.762 0.019 0.000 1.701 552 H HN 0.302 nan 8.280 nan 0.000 0.527 553 A N 4.705 127.356 122.820 -0.281 0.000 1.972 553 A HA -0.088 4.233 4.320 0.001 0.000 0.219 553 A C 1.290 178.882 177.584 0.013 0.000 1.169 553 A CA 1.544 53.510 52.037 -0.117 0.000 0.635 553 A CB -0.229 18.668 19.000 -0.171 0.000 0.810 553 A HN 0.616 nan 8.150 nan 0.000 0.446 554 I N -1.193 119.487 120.570 0.184 0.000 2.899 554 I HA 0.020 4.190 4.170 0.001 0.000 0.257 554 I C 1.867 178.074 176.117 0.150 0.000 1.115 554 I CA 0.921 62.316 61.300 0.159 0.000 1.451 554 I CB -1.424 36.671 38.000 0.158 0.000 1.251 554 I HN 0.215 nan 8.210 nan 0.000 0.456 555 K N 0.971 121.515 120.400 0.241 0.000 2.362 555 K HA 0.024 4.344 4.320 0.001 0.000 0.200 555 K C 1.549 178.170 176.600 0.036 0.000 1.046 555 K CA 0.911 57.212 56.287 0.024 0.000 0.952 555 K CB 0.043 32.415 32.500 -0.213 0.000 0.753 555 K HN 0.536 nan 8.250 nan 0.000 0.466 556 G N 0.900 109.757 108.800 0.096 0.000 4.890 556 G HA2 -0.310 3.650 3.960 0.001 0.000 0.221 556 G HA3 -0.310 3.650 3.960 0.001 0.000 0.221 556 G C -0.115 174.836 174.900 0.085 0.000 1.472 556 G CA -0.040 45.097 45.100 0.062 0.000 0.962 556 G HN 0.354 nan 8.290 nan 0.000 0.671 557 Q N 0.562 120.398 119.800 0.060 0.000 2.394 557 Q HA 0.714 5.054 4.340 0.001 0.000 0.273 557 Q C -0.197 175.825 176.000 0.038 0.000 1.089 557 Q CA -0.226 55.619 55.803 0.070 0.000 0.812 557 Q CB 2.337 31.101 28.738 0.044 0.000 1.353 557 Q HN 1.030 nan 8.270 nan 0.000 0.438 558 A N 1.865 124.728 122.820 0.072 0.000 2.299 558 A HA 0.714 5.035 4.320 0.001 0.000 0.332 558 A C -0.685 176.934 177.584 0.059 0.000 1.131 558 A CA -0.682 51.368 52.037 0.022 0.000 0.844 558 A CB 0.696 19.754 19.000 0.097 0.000 1.251 558 A HN 0.718 nan 8.150 nan 0.000 0.486 559 I N 1.377 121.968 120.570 0.034 0.000 2.297 559 I HA 0.194 4.365 4.170 0.001 0.000 0.291 559 I C -1.171 174.987 176.117 0.068 0.000 1.033 559 I CA -0.089 61.242 61.300 0.052 0.000 1.253 559 I CB 0.645 38.655 38.000 0.015 0.000 1.396 559 I HN 0.636 nan 8.210 nan 0.000 0.476 560 Y N 6.898 127.177 120.300 -0.035 0.000 2.334 560 Y HA 0.685 5.235 4.550 0.001 0.000 0.336 560 Y C -0.308 175.532 175.900 -0.101 0.000 0.960 560 Y CA -1.009 57.039 58.100 -0.086 0.000 1.164 560 Y CB 1.338 39.751 38.460 -0.078 0.000 1.155 560 Y HN 0.568 nan 8.280 nan 0.000 0.478 561 A N 6.442 129.163 122.820 -0.164 0.000 2.291 561 A HA 0.533 4.854 4.320 0.001 0.000 0.311 561 A C -1.889 175.601 177.584 -0.156 0.000 1.224 561 A CA -0.513 51.481 52.037 -0.073 0.000 0.821 561 A CB -0.021 18.903 19.000 -0.126 0.000 1.172 561 A HN 0.736 nan 8.150 nan 0.000 0.494 562 Y N 1.596 121.912 120.300 0.026 0.000 2.359 562 Y HA 0.432 4.983 4.550 0.001 0.000 0.334 562 Y C 0.253 176.163 175.900 0.016 0.000 1.058 562 Y CA 0.024 58.128 58.100 0.007 0.000 1.244 562 Y CB 1.343 39.785 38.460 -0.031 0.000 1.187 562 Y HN 0.359 nan 8.280 nan 0.000 0.510 563 V N 3.445 123.474 119.914 0.190 0.000 2.483 563 V HA 0.341 4.461 4.120 0.001 0.000 0.297 563 V C -0.349 175.924 176.094 0.299 0.000 1.027 563 V CA -0.875 61.542 62.300 0.195 0.000 0.855 563 V CB 2.065 33.961 31.823 0.122 0.000 0.995 563 V HN 0.762 nan 8.190 nan 0.000 0.424 564 T N 6.519 121.199 114.554 0.210 0.000 2.767 564 T HA 0.606 4.956 4.350 0.001 0.000 0.284 564 T C -0.101 174.676 174.700 0.129 0.000 0.973 564 T CA -0.238 61.968 62.100 0.176 0.000 0.996 564 T CB 0.748 69.689 68.868 0.122 0.000 0.927 564 T HN 0.327 nan 8.240 nan 0.000 0.456 565 L N 3.192 124.480 121.223 0.108 0.000 2.421 565 L HA 0.394 4.735 4.340 0.001 0.000 0.263 565 L C 0.950 177.828 176.870 0.013 0.000 1.122 565 L CA -1.165 53.697 54.840 0.036 0.000 0.804 565 L CB 0.534 42.568 42.059 -0.041 0.000 1.150 565 L HN 0.540 nan 8.230 nan 0.000 0.457 566 N N -0.005 118.683 118.700 -0.021 0.000 2.416 566 N HA 0.018 4.759 4.740 0.001 0.000 0.246 566 N C -0.295 175.224 175.510 0.015 0.000 1.260 566 N CA 0.069 53.081 53.050 -0.063 0.000 0.897 566 N CB 0.176 38.627 38.487 -0.061 0.000 1.110 566 N HN 0.461 nan 8.380 nan 0.000 0.439 567 H N -0.234 118.831 119.070 -0.009 0.000 3.001 567 H HA 0.152 4.708 4.556 0.001 0.000 0.334 567 H C 1.385 176.700 175.328 -0.022 0.000 1.034 567 H CA 0.495 56.535 56.048 -0.013 0.000 1.420 567 H CB 0.411 30.168 29.762 -0.007 0.000 1.405 567 H HN 0.852 nan 8.280 nan 0.000 0.593 568 G N 2.129 110.988 108.800 0.099 0.000 2.258 568 G HA2 -0.246 3.715 3.960 0.001 0.000 0.233 568 G HA3 -0.246 3.715 3.960 0.001 0.000 0.233 568 G C 0.208 175.105 174.900 -0.004 0.000 1.006 568 G CA -0.172 44.947 45.100 0.032 0.000 0.620 568 G HN 0.541 nan 8.290 nan 0.000 0.511 569 E N 0.868 121.061 120.200 -0.012 0.000 2.318 569 E HA 0.666 5.016 4.350 0.001 0.000 0.265 569 E C -0.068 176.468 176.600 -0.106 0.000 1.069 569 E CA -0.254 56.110 56.400 -0.060 0.000 0.893 569 E CB 1.836 31.498 29.700 -0.064 0.000 1.076 569 E HN 0.531 nan 8.360 nan 0.000 0.414 570 E N 1.085 121.184 120.200 -0.167 0.000 2.308 570 E HA 0.357 4.707 4.350 0.001 0.000 0.275 570 E C -2.640 173.737 176.600 -0.373 0.000 0.890 570 E CA -2.120 54.147 56.400 -0.221 0.000 0.754 570 E CB 1.665 31.280 29.700 -0.141 0.000 1.207 570 E HN 0.094 nan 8.360 nan 0.000 0.426 571 P HA 0.186 nan 4.420 nan 0.000 0.271 571 P C -1.321 175.746 177.300 -0.389 0.000 1.218 571 P CA -0.253 62.323 63.100 -0.872 0.000 0.780 571 P CB 0.953 31.976 31.700 -1.130 0.000 0.901 572 S N 0.600 116.161 115.700 -0.232 0.000 2.567 572 S HA 0.453 4.923 4.470 0.001 0.000 0.270 572 S C -2.553 172.116 174.600 0.115 0.000 1.152 572 S CA -1.191 56.986 58.200 -0.038 0.000 0.835 572 S CB 1.259 64.432 63.200 -0.046 0.000 1.115 572 S HN 0.041 nan 8.310 nan 0.000 0.459 573 P HA -0.117 nan 4.420 nan 0.000 0.216 573 P C 1.395 178.789 177.300 0.157 0.000 1.153 573 P CA 1.447 64.612 63.100 0.109 0.000 0.858 573 P CB 0.086 31.802 31.700 0.027 0.000 0.789 574 E N -0.788 119.474 120.200 0.104 0.000 2.049 574 E HA -0.222 4.128 4.350 0.001 0.000 0.198 574 E C 1.830 178.514 176.600 0.140 0.000 1.007 574 E CA 1.065 57.526 56.400 0.102 0.000 0.809 574 E CB -0.529 29.206 29.700 0.059 0.000 0.749 574 E HN 0.055 nan 8.360 nan 0.000 0.450 575 L N 0.068 121.370 121.223 0.131 0.000 2.156 575 L HA -0.116 4.224 4.340 0.001 0.000 0.208 575 L C 2.096 179.140 176.870 0.291 0.000 1.095 575 L CA 1.441 56.356 54.840 0.125 0.000 0.770 575 L CB -0.554 41.485 42.059 -0.033 0.000 0.914 575 L HN 0.228 nan 8.230 nan 0.000 0.439 576 Y N 0.016 120.507 120.300 0.318 0.000 2.128 576 Y HA -0.277 4.274 4.550 0.001 0.000 0.284 576 Y C 2.385 178.365 175.900 0.133 0.000 1.154 576 Y CA 2.059 60.361 58.100 0.337 0.000 1.149 576 Y CB -0.248 38.385 38.460 0.288 0.000 0.976 576 Y HN 0.254 nan 8.280 nan 0.000 0.505 577 A N -0.164 122.866 122.820 0.350 0.000 1.930 577 A HA -0.186 4.134 4.320 0.001 0.000 0.217 577 A C 2.153 179.823 177.584 0.143 0.000 1.175 577 A CA 1.633 53.803 52.037 0.221 0.000 0.627 577 A CB -0.832 18.281 19.000 0.189 0.000 0.815 577 A HN 0.638 nan 8.150 nan 0.000 0.443 578 E N -0.121 120.169 120.200 0.150 0.000 2.023 578 E HA -0.167 4.184 4.350 0.001 0.000 0.196 578 E C 1.920 178.615 176.600 0.158 0.000 1.003 578 E CA 1.764 58.262 56.400 0.163 0.000 0.809 578 E CB -0.184 29.615 29.700 0.165 0.000 0.755 578 E HN 0.297 nan 8.360 nan 0.000 0.449 579 V N 1.418 121.346 119.914 0.024 0.000 2.332 579 V HA -0.304 3.816 4.120 0.001 0.000 0.248 579 V C 2.469 178.585 176.094 0.037 0.000 1.055 579 V CA 2.185 64.451 62.300 -0.058 0.000 1.038 579 V CB -0.631 31.100 31.823 -0.154 0.000 0.651 579 V HN 0.290 nan 8.190 nan 0.000 0.450 580 R N 0.218 120.688 120.500 -0.050 0.000 2.083 580 R HA -0.157 4.184 4.340 0.001 0.000 0.237 580 R C 2.181 178.522 176.300 0.069 0.000 1.137 580 R CA 1.648 57.728 56.100 -0.034 0.000 0.951 580 R CB -0.611 29.645 30.300 -0.073 0.000 0.851 580 R HN 0.530 nan 8.270 nan 0.000 0.434 581 N N 0.257 119.026 118.700 0.114 0.000 2.309 581 N HA -0.200 4.540 4.740 0.001 0.000 0.182 581 N C 1.341 176.956 175.510 0.175 0.000 1.018 581 N CA 0.780 53.907 53.050 0.127 0.000 0.876 581 N CB -0.261 38.305 38.487 0.132 0.000 0.972 581 N HN 0.425 nan 8.380 nan 0.000 0.434 582 W N 1.837 123.176 121.300 0.065 0.000 2.355 582 W HA -0.129 4.532 4.660 0.001 0.000 0.309 582 W C 1.441 177.998 176.519 0.064 0.000 1.206 582 W CA 0.979 58.383 57.345 0.099 0.000 1.284 582 W CB -0.155 29.428 29.460 0.205 0.000 1.145 582 W HN -0.173 nan 8.180 nan 0.000 0.502 583 V N 1.648 121.686 119.914 0.206 0.000 2.427 583 V HA -0.276 3.845 4.120 0.001 0.000 0.248 583 V C 2.545 178.645 176.094 0.009 0.000 1.051 583 V CA 1.989 64.340 62.300 0.085 0.000 1.048 583 V CB -0.974 30.910 31.823 0.102 0.000 0.666 583 V HN 0.125 nan 8.190 nan 0.000 0.456 584 R N 0.447 120.959 120.500 0.019 0.000 2.103 584 R HA -0.220 4.121 4.340 0.001 0.000 0.242 584 R C 2.459 178.740 176.300 -0.031 0.000 1.142 584 R CA 1.840 57.943 56.100 0.003 0.000 0.960 584 R CB -0.360 29.948 30.300 0.013 0.000 0.858 584 R HN 0.474 nan 8.270 nan 0.000 0.439 585 K N 0.663 121.008 120.400 -0.091 0.000 2.211 585 K HA -0.073 4.247 4.320 0.001 0.000 0.201 585 K C 1.457 177.927 176.600 -0.217 0.000 1.052 585 K CA 0.989 57.186 56.287 -0.150 0.000 0.973 585 K CB 0.319 32.712 32.500 -0.178 0.000 0.766 585 K HN 0.025 nan 8.250 nan 0.000 0.466 586 E N 0.718 120.739 120.200 -0.298 0.000 2.106 586 E HA -0.058 4.292 4.350 0.001 0.000 0.192 586 E C 2.018 178.564 176.600 -0.090 0.000 0.984 586 E CA 1.173 57.414 56.400 -0.266 0.000 0.806 586 E CB 0.148 29.673 29.700 -0.292 0.000 0.750 586 E HN 0.443 nan 8.360 nan 0.000 0.458 587 I N -1.869 118.699 120.570 -0.003 0.000 3.623 587 I HA 0.270 4.440 4.170 0.001 0.000 0.253 587 I C 0.938 177.196 176.117 0.234 0.000 1.144 587 I CA 0.407 61.787 61.300 0.133 0.000 1.461 587 I CB 1.044 39.134 38.000 0.150 0.000 1.575 587 I HN 0.038 nan 8.210 nan 0.000 0.445 588 G N 0.250 109.128 108.800 0.129 0.000 2.347 588 G HA2 0.123 4.084 3.960 0.001 0.000 0.303 588 G HA3 0.123 4.084 3.960 0.001 0.000 0.303 588 G C -2.742 172.177 174.900 0.032 0.000 1.481 588 G CA -0.670 44.483 45.100 0.088 0.000 0.914 588 G HN -0.232 nan 8.290 nan 0.000 0.638 589 P HA -0.125 nan 4.420 nan 0.000 0.217 589 P C 2.373 179.662 177.300 -0.019 0.000 1.151 589 P CA 1.852 64.946 63.100 -0.010 0.000 0.849 589 P CB 0.000 31.687 31.700 -0.023 0.000 0.787 590 L N -3.306 117.891 121.223 -0.042 0.000 2.187 590 L HA -0.035 4.305 4.340 0.001 0.000 0.213 590 L C 1.930 178.774 176.870 -0.043 0.000 1.100 590 L CA 2.100 56.880 54.840 -0.100 0.000 0.765 590 L CB -1.317 40.579 42.059 -0.272 0.000 0.904 590 L HN -0.150 nan 8.230 nan 0.000 0.437 591 A N -0.331 122.491 122.820 0.005 0.000 2.345 591 A HA 0.215 4.535 4.320 0.001 0.000 0.225 591 A C 0.873 178.467 177.584 0.016 0.000 1.243 591 A CA -0.013 52.042 52.037 0.029 0.000 0.875 591 A CB -0.676 18.369 19.000 0.074 0.000 0.929 591 A HN 0.440 nan 8.150 nan 0.000 0.502 592 T N 3.597 118.151 114.554 0.000 0.000 2.829 592 T HA 0.278 4.629 4.350 0.001 0.000 0.293 592 T C -2.560 172.120 174.700 -0.033 0.000 0.970 592 T CA -0.335 61.758 62.100 -0.012 0.000 1.168 592 T CB 0.354 69.215 68.868 -0.012 0.000 0.911 592 T HN 0.165 nan 8.240 nan 0.000 0.535 593 P HA 0.113 nan 4.420 nan 0.000 0.268 593 P C 0.528 177.767 177.300 -0.101 0.000 1.204 593 P CA -0.156 62.886 63.100 -0.095 0.000 0.768 593 P CB 0.577 32.175 31.700 -0.170 0.000 0.842 594 D N 1.037 121.392 120.400 -0.076 0.000 2.162 594 D HA -0.005 4.636 4.640 0.001 0.000 0.203 594 D C 0.293 176.551 176.300 -0.070 0.000 0.967 594 D CA 1.337 55.309 54.000 -0.046 0.000 0.840 594 D CB 0.402 41.192 40.800 -0.016 0.000 0.972 594 D HN 0.136 nan 8.370 nan 0.000 0.482 595 V N 1.839 121.640 119.914 -0.188 0.000 2.588 595 V HA 0.317 4.437 4.120 0.001 0.000 0.304 595 V C -0.272 175.498 176.094 -0.541 0.000 1.042 595 V CA -0.677 61.413 62.300 -0.350 0.000 0.877 595 V CB 2.501 33.945 31.823 -0.632 0.000 0.996 595 V HN -0.039 nan 8.190 nan 0.000 0.425 596 L N 4.176 125.059 121.223 -0.567 0.000 2.287 596 L HA 0.545 4.885 4.340 0.001 0.000 0.287 596 L C -0.399 176.022 176.870 -0.748 0.000 1.022 596 L CA -0.501 53.858 54.840 -0.801 0.000 0.814 596 L CB 1.177 42.466 42.059 -1.283 0.000 1.217 596 L HN 0.740 nan 8.230 nan 0.000 0.420 597 H N 3.026 121.636 119.070 -0.766 0.000 2.673 597 H HA 0.278 4.834 4.556 0.001 0.000 0.293 597 H C -1.234 173.952 175.328 -0.237 0.000 1.065 597 H CA -0.707 55.034 56.048 -0.512 0.000 1.236 597 H CB 0.567 29.984 29.762 -0.576 0.000 1.389 597 H HN 0.479 nan 8.280 nan 0.000 0.481 598 W N 4.473 125.835 121.300 0.103 0.000 2.266 598 W HA 0.336 4.996 4.660 0.001 0.000 0.317 598 W C 0.323 176.989 176.519 0.244 0.000 1.310 598 W CA -0.433 56.994 57.345 0.137 0.000 1.207 598 W CB 1.312 30.807 29.460 0.058 0.000 1.199 598 W HN 0.442 nan 8.180 nan 0.000 0.544 599 T N 1.709 116.560 114.554 0.496 0.000 2.885 599 T HA 0.121 4.472 4.350 0.001 0.000 0.322 599 T C -0.419 174.434 174.700 0.254 0.000 1.387 599 T CA -0.679 61.651 62.100 0.383 0.000 1.041 599 T CB 1.319 70.456 68.868 0.447 0.000 1.287 599 T HN 0.422 nan 8.240 nan 0.000 0.491 600 D N 1.874 122.387 120.400 0.189 0.000 2.402 600 D HA 0.224 4.864 4.640 0.001 0.000 0.216 600 D C 0.280 176.646 176.300 0.110 0.000 1.128 600 D CA 0.045 54.127 54.000 0.137 0.000 0.833 600 D CB 0.699 41.566 40.800 0.111 0.000 0.971 600 D HN 0.352 nan 8.370 nan 0.000 0.503 601 S N 0.573 116.343 115.700 0.118 0.000 2.525 601 S HA 0.237 4.708 4.470 0.001 0.000 0.242 601 S C 0.641 175.258 174.600 0.028 0.000 1.164 601 S CA -0.446 57.800 58.200 0.076 0.000 1.154 601 S CB 0.543 63.797 63.200 0.090 0.000 0.875 601 S HN 0.163 nan 8.310 nan 0.000 0.482 602 L N 4.003 125.235 121.223 0.015 0.000 2.559 602 L HA 0.170 4.511 4.340 0.001 0.000 0.274 602 L C -1.969 174.866 176.870 -0.059 0.000 1.205 602 L CA -1.230 53.576 54.840 -0.056 0.000 0.907 602 L CB 0.084 42.122 42.059 -0.035 0.000 1.153 602 L HN 0.091 nan 8.230 nan 0.000 0.490 603 P HA 0.232 nan 4.420 nan 0.000 0.282 603 P C -1.153 176.113 177.300 -0.058 0.000 1.262 603 P CA -0.327 62.730 63.100 -0.071 0.000 0.773 603 P CB 1.082 32.726 31.700 -0.094 0.000 0.879 604 K N 0.928 121.308 120.400 -0.034 0.000 2.477 604 K HA 0.439 4.759 4.320 0.001 0.000 0.255 604 K C 0.375 176.965 176.600 -0.018 0.000 0.952 604 K CA -0.699 55.572 56.287 -0.025 0.000 0.826 604 K CB 1.909 34.400 32.500 -0.015 0.000 1.331 604 K HN 0.423 nan 8.250 nan 0.000 0.437 605 T N -1.377 113.167 114.554 -0.016 0.000 2.766 605 T HA 0.145 4.495 4.350 0.001 0.000 0.295 605 T C 1.086 175.782 174.700 -0.007 0.000 1.024 605 T CA -0.297 61.797 62.100 -0.011 0.000 1.018 605 T CB 0.719 69.580 68.868 -0.011 0.000 1.002 605 T HN 0.545 nan 8.240 nan 0.000 0.532 606 R N 0.348 120.845 120.500 -0.004 0.000 2.189 606 R HA -0.029 4.312 4.340 0.001 0.000 0.223 606 R C 2.472 178.772 176.300 -0.001 0.000 1.092 606 R CA 1.260 57.359 56.100 -0.001 0.000 0.989 606 R CB -0.274 30.025 30.300 -0.001 0.000 0.876 606 R HN 0.844 nan 8.270 nan 0.000 0.457 607 S N -1.336 114.362 115.700 -0.002 0.000 2.575 607 S HA 0.167 4.637 4.470 0.001 0.000 0.215 607 S C 1.297 175.896 174.600 -0.002 0.000 0.966 607 S CA 0.266 58.465 58.200 -0.002 0.000 0.911 607 S CB 0.952 64.150 63.200 -0.003 0.000 0.780 607 S HN 0.453 nan 8.310 nan 0.000 0.514 608 G N 0.641 109.440 108.800 -0.003 0.000 2.176 608 G HA2 -0.066 3.895 3.960 0.001 0.000 0.232 608 G HA3 -0.066 3.895 3.960 0.001 0.000 0.232 608 G C 0.217 175.114 174.900 -0.006 0.000 0.986 608 G CA -0.246 44.852 45.100 -0.002 0.000 0.643 608 G HN 1.214 nan 8.290 nan 0.000 0.522 609 A N 0.286 123.100 122.820 -0.009 0.000 2.440 609 A HA 0.664 4.985 4.320 0.001 0.000 0.251 609 A C 0.707 178.279 177.584 -0.020 0.000 1.089 609 A CA -0.041 51.988 52.037 -0.013 0.000 0.779 609 A CB 0.228 19.220 19.000 -0.013 0.000 1.022 609 A HN 0.760 nan 8.150 nan 0.000 0.492 610 I N 2.582 123.137 120.570 -0.025 0.000 2.496 610 I HA 0.032 4.203 4.170 0.001 0.000 0.285 610 I C 0.406 176.494 176.117 -0.048 0.000 1.080 610 I CA 0.433 61.708 61.300 -0.042 0.000 1.404 610 I CB 0.824 38.797 38.000 -0.046 0.000 1.403 610 I HN 0.610 nan 8.210 nan 0.000 0.539 611 M N 6.975 126.537 119.600 -0.063 0.000 2.319 611 M HA 0.247 4.728 4.480 0.001 0.000 0.343 611 M C 1.056 177.307 176.300 -0.082 0.000 1.364 611 M CA -0.064 55.200 55.300 -0.060 0.000 1.292 611 M CB 0.377 32.943 32.600 -0.056 0.000 1.432 611 M HN 0.542 nan 8.290 nan 0.000 0.448 612 R N 0.943 121.405 120.500 -0.064 0.000 2.115 612 R HA -0.106 4.235 4.340 0.001 0.000 0.226 612 R C 2.665 178.928 176.300 -0.060 0.000 1.100 612 R CA 1.444 57.505 56.100 -0.066 0.000 0.980 612 R CB -0.476 29.804 30.300 -0.033 0.000 0.875 612 R HN 0.740 nan 8.270 nan 0.000 0.445 613 R N 1.443 121.916 120.500 -0.044 0.000 2.091 613 R HA -0.139 4.201 4.340 0.001 0.000 0.238 613 R C 2.027 178.298 176.300 -0.048 0.000 1.136 613 R CA 1.871 57.951 56.100 -0.035 0.000 0.959 613 R CB -1.413 28.873 30.300 -0.023 0.000 0.856 613 R HN 0.330 nan 8.270 nan 0.000 0.437 614 I N 0.237 120.768 120.570 -0.065 0.000 2.226 614 I HA -0.172 3.999 4.170 0.001 0.000 0.245 614 I C 2.323 178.375 176.117 -0.109 0.000 1.100 614 I CA 1.408 62.663 61.300 -0.076 0.000 1.374 614 I CB 0.003 37.957 38.000 -0.078 0.000 1.057 614 I HN 0.359 nan 8.210 nan 0.000 0.413 615 L N 0.016 121.129 121.223 -0.183 0.000 2.083 615 L HA -0.179 4.161 4.340 0.001 0.000 0.209 615 L C 2.754 179.591 176.870 -0.055 0.000 1.083 615 L CA 1.360 56.034 54.840 -0.277 0.000 0.752 615 L CB -0.721 41.019 42.059 -0.533 0.000 0.899 615 L HN 0.238 nan 8.230 nan 0.000 0.433 616 R N 0.520 120.990 120.500 -0.049 0.000 2.075 616 R HA -0.156 4.184 4.340 0.001 0.000 0.232 616 R C 2.360 178.630 176.300 -0.048 0.000 1.126 616 R CA 1.382 57.463 56.100 -0.031 0.000 0.963 616 R CB 0.047 30.336 30.300 -0.019 0.000 0.858 616 R HN 0.264 nan 8.270 nan 0.000 0.435 617 K N 0.153 120.528 120.400 -0.041 0.000 2.002 617 K HA -0.117 4.204 4.320 0.001 0.000 0.209 617 K C 2.129 178.708 176.600 -0.036 0.000 1.048 617 K CA 1.619 57.886 56.287 -0.033 0.000 0.930 617 K CB -0.167 32.319 32.500 -0.024 0.000 0.714 617 K HN 0.201 nan 8.250 nan 0.000 0.438 618 I N 0.983 121.539 120.570 -0.024 0.000 2.226 618 I HA -0.277 3.893 4.170 0.001 0.000 0.245 618 I C 2.455 178.538 176.117 -0.056 0.000 1.100 618 I CA 1.103 62.407 61.300 0.005 0.000 1.374 618 I CB -0.331 37.709 38.000 0.067 0.000 1.057 618 I HN 0.171 nan 8.210 nan 0.000 0.413 619 A N 0.548 123.254 122.820 -0.190 0.000 1.969 619 A HA -0.063 4.258 4.320 0.001 0.000 0.218 619 A C 2.360 179.742 177.584 -0.337 0.000 1.169 619 A CA 1.596 53.253 52.037 -0.633 0.000 0.635 619 A CB -0.608 17.747 19.000 -1.075 0.000 0.810 619 A HN 0.431 nan 8.150 nan 0.000 0.445 620 A N -1.791 120.930 122.820 -0.165 0.000 2.238 620 A HA 0.396 4.717 4.320 0.001 0.000 0.208 620 A C 1.903 179.465 177.584 -0.036 0.000 1.177 620 A CA 1.212 53.204 52.037 -0.075 0.000 0.804 620 A CB -0.994 17.978 19.000 -0.046 0.000 0.823 620 A HN 1.821 nan 8.150 nan 0.000 0.482 621 G N -2.145 106.636 108.800 -0.031 0.000 2.184 621 G HA2 -0.211 3.750 3.960 0.001 0.000 0.264 621 G HA3 -0.211 3.750 3.960 0.001 0.000 0.264 621 G C 0.362 175.263 174.900 0.001 0.000 0.975 621 G CA 1.322 46.422 45.100 -0.001 0.000 0.642 621 G HN 1.143 nan 8.290 nan 0.000 0.536 633 A N 0.359 123.177 122.820 -0.004 0.000 1.620 633 A HA -0.334 3.987 4.320 0.001 0.000 0.371 633 A C 0.416 178.001 177.584 0.002 0.000 2.153 633 A CA 2.299 54.336 52.037 -0.001 0.000 1.078 633 A CB -2.023 16.977 19.000 -0.001 0.000 1.472 633 A HN 0.968 nan 8.150 nan 0.000 0.715 634 D N -0.218 120.184 120.400 0.002 0.000 2.464 634 D HA 0.588 5.229 4.640 0.001 0.000 0.243 634 D C -1.930 174.373 176.300 0.005 0.000 1.104 634 D CA -1.749 52.254 54.000 0.006 0.000 0.883 634 D CB 1.139 41.946 40.800 0.011 0.000 1.050 634 D HN 0.138 nan 8.370 nan 0.000 0.524 635 P HA 0.135 nan 4.420 nan 0.000 0.237 635 P C 1.283 178.588 177.300 0.010 0.000 1.178 635 P CA 0.222 63.325 63.100 0.004 0.000 0.766 635 P CB 0.426 32.128 31.700 0.004 0.000 0.876 636 G N 0.529 109.338 108.800 0.014 0.000 2.744 636 G HA2 -0.108 3.853 3.960 0.001 0.000 0.211 636 G HA3 -0.108 3.853 3.960 0.001 0.000 0.211 636 G C 1.439 176.356 174.900 0.028 0.000 1.143 636 G CA 0.565 45.678 45.100 0.020 0.000 0.788 636 G HN 0.320 nan 8.290 nan 0.000 0.534 637 V N -0.948 118.980 119.914 0.024 0.000 2.515 637 V HA -0.154 3.966 4.120 0.001 0.000 0.250 637 V C 2.594 178.708 176.094 0.035 0.000 1.058 637 V CA 1.565 63.883 62.300 0.030 0.000 1.064 637 V CB -0.844 30.988 31.823 0.014 0.000 0.675 637 V HN 0.126 nan 8.190 nan 0.000 0.461 638 V N 0.413 120.340 119.914 0.022 0.000 2.255 638 V HA -0.279 3.842 4.120 0.001 0.000 0.247 638 V C 2.863 178.986 176.094 0.047 0.000 1.051 638 V CA 2.539 64.853 62.300 0.025 0.000 1.018 638 V CB -1.131 30.700 31.823 0.013 0.000 0.641 638 V HN 0.694 nan 8.190 nan 0.000 0.445 639 E N 0.157 120.383 120.200 0.043 0.000 2.070 639 E HA -0.314 4.037 4.350 0.001 0.000 0.197 639 E C 2.518 179.160 176.600 0.071 0.000 1.004 639 E CA 2.358 58.788 56.400 0.050 0.000 0.805 639 E CB -0.578 29.146 29.700 0.039 0.000 0.744 639 E HN 0.816 nan 8.360 nan 0.000 0.451 640 K N 0.384 120.830 120.400 0.077 0.000 2.026 640 K HA 0.045 4.366 4.320 0.001 0.000 0.208 640 K C 2.462 179.157 176.600 0.158 0.000 1.048 640 K CA 1.571 57.919 56.287 0.103 0.000 0.929 640 K CB -1.251 31.307 32.500 0.097 0.000 0.713 640 K HN 0.444 nan 8.250 nan 0.000 0.439 641 L N 0.138 121.463 121.223 0.170 0.000 2.043 641 L HA -0.184 4.157 4.340 0.001 0.000 0.212 641 L C 2.831 179.869 176.870 0.280 0.000 1.075 641 L CA 1.322 56.316 54.840 0.258 0.000 0.752 641 L CB -0.428 41.720 42.059 0.148 0.000 0.891 641 L HN 0.318 nan 8.230 nan 0.000 0.432 642 L N -0.699 120.626 121.223 0.170 0.000 1.994 642 L HA -0.236 4.105 4.340 0.001 0.000 0.208 642 L C 2.549 179.496 176.870 0.128 0.000 1.071 642 L CA 1.300 56.223 54.840 0.138 0.000 0.745 642 L CB -0.389 41.722 42.059 0.086 0.000 0.892 642 L HN 0.232 nan 8.230 nan 0.000 0.431 643 E N 0.023 120.288 120.200 0.108 0.000 2.065 643 E HA -0.290 4.061 4.350 0.001 0.000 0.201 643 E C 2.079 178.729 176.600 0.083 0.000 1.016 643 E CA 1.885 58.335 56.400 0.084 0.000 0.818 643 E CB 0.007 29.751 29.700 0.073 0.000 0.749 643 E HN 0.464 nan 8.360 nan 0.000 0.453 644 E N 0.164 120.434 120.200 0.116 0.000 2.110 644 E HA -0.200 4.150 4.350 0.001 0.000 0.193 644 E C 2.018 178.606 176.600 -0.020 0.000 0.988 644 E CA 0.681 57.102 56.400 0.035 0.000 0.804 644 E CB 0.027 29.774 29.700 0.080 0.000 0.745 644 E HN -0.042 nan 8.360 nan 0.000 0.458 645 K N 0.870 121.376 120.400 0.175 0.000 2.063 645 K HA -0.171 4.150 4.320 0.001 0.000 0.208 645 K C 2.216 178.873 176.600 0.096 0.000 1.048 645 K CA 1.172 57.581 56.287 0.202 0.000 0.928 645 K CB -0.344 32.303 32.500 0.245 0.000 0.713 645 K HN 0.006 nan 8.250 nan 0.000 0.442 646 Q N -0.497 119.347 119.800 0.073 0.000 2.224 646 Q HA 0.095 4.436 4.340 0.001 0.000 0.203 646 Q C 1.120 177.133 176.000 0.022 0.000 0.970 646 Q CA 0.837 56.668 55.803 0.046 0.000 0.865 646 Q CB -0.314 28.450 28.738 0.044 0.000 0.922 646 Q HN 0.516 nan 8.270 nan 0.000 0.445 647 A N 0.000 122.824 122.820 0.007 0.000 2.254 647 A HA 0.000 4.320 4.320 0.001 0.000 0.244 647 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 647 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 647 A HN 0.000 nan 8.150 nan 0.000 0.486