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 1y3q_1_A DATA FIRST_RESID 1 DATA SEQUENCE REATWVTEKP LTLKIHMHFR DKWVWDENWP VAREVARLTN VKLVGVANRA DATA SEQUENCE ATNSQEQFNL MMASGQLPDI VGGDNLKDKF IRYGMEGAFI PLNKLIDQNA DATA SEQUENCE PNLKAFFKTH PEVQRAITAP DGNIYYLPYV PDGLVSRGYF IRQDWLDKLH DATA SEQUENCE LKTPQTVDEL YTVLKAFKEK DPNGNGKADE IPFINRDPEE VFRLVNFWGA DATA SEQUENCE RSTGSNTWMD FYVENGKIKH PFAEVAFKDG IKHVAQWYKE GLIDPEIFTR DATA SEQUENCE KARSREQTFG NNIGGMTHDW FASTALFNDA LSKNIPGFKL VPMAPPINSK DATA SEQUENCE GQRWEEDARQ IPRPDGWAIT ATNKNPVETI KLFDFYFGPK GRELSNFGVP DATA SEQUENCE GLTYDIKNGK PVYKDTVLKA AQPVNNQMYD IGAQIPIGFW QDYEYERQWT DATA SEQUENCE NDVALQGIDM YIKNKYVLPQ FTGVNLTVEE REIYDKYWPD VKTYMFEMGQ DATA SEQUENCE SWVMGTKDPE KTWNDYQQQL KNRGFYQVMI VMQKAYDRQY 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 1 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 175.594 176.300 -1.176 0.000 0.893 1 R CA 0.000 55.064 56.100 -1.727 0.000 0.921 1 R CB 0.000 29.833 30.300 -0.779 0.000 0.687 2 E N 2.627 121.894 120.200 -1.554 0.000 2.221 2 E HA 0.497 4.847 4.350 -0.001 0.000 0.268 2 E C 0.278 176.665 176.600 -0.354 0.000 0.933 2 E CA -0.214 55.807 56.400 -0.631 0.000 0.809 2 E CB 1.976 31.494 29.700 -0.304 0.000 1.190 2 E HN 0.590 nan 8.360 nan 0.000 0.406 3 A N 1.357 124.090 122.820 -0.145 0.000 2.070 3 A HA -0.144 4.175 4.320 -0.001 0.000 0.220 3 A C 1.746 179.365 177.584 0.058 0.000 1.159 3 A CA 2.061 54.077 52.037 -0.035 0.000 0.656 3 A CB -0.593 18.403 19.000 -0.007 0.000 0.800 3 A HN 0.606 nan 8.150 nan 0.000 0.453 4 T N -5.103 109.506 114.554 0.092 0.000 3.100 4 T HA 0.022 4.372 4.350 -0.001 0.000 0.253 4 T C 0.249 175.079 174.700 0.217 0.000 1.118 4 T CA -0.414 61.789 62.100 0.172 0.000 1.058 4 T CB -0.361 68.625 68.868 0.197 0.000 0.953 4 T HN 0.358 nan 8.240 nan 0.000 0.515 5 W N 3.065 124.348 121.300 -0.030 0.000 2.314 5 W HA 0.253 4.913 4.660 -0.000 0.000 0.339 5 W C 1.466 177.973 176.519 -0.021 0.000 1.293 5 W CA -1.173 56.145 57.345 -0.044 0.000 1.288 5 W CB 0.158 29.602 29.460 -0.025 0.000 1.186 5 W HN 0.123 nan 8.180 nan 0.000 0.566 6 V N 0.800 120.766 119.914 0.087 0.000 3.647 6 V HA 0.245 4.365 4.120 -0.001 0.000 0.279 6 V C 0.322 176.424 176.094 0.013 0.000 1.314 6 V CA 0.740 63.069 62.300 0.049 0.000 1.125 6 V CB -0.149 31.679 31.823 0.009 0.000 0.907 6 V HN 0.536 nan 8.190 nan 0.000 0.434 7 T N -1.265 113.280 114.554 -0.016 0.000 2.957 7 T HA 0.383 4.733 4.350 -0.001 0.000 0.336 7 T C -0.034 174.637 174.700 -0.047 0.000 1.462 7 T CA -0.098 61.977 62.100 -0.042 0.000 1.073 7 T CB 2.167 70.968 68.868 -0.111 0.000 1.319 7 T HN 0.097 nan 8.240 nan 0.000 0.485 8 E N 1.546 121.769 120.200 0.040 0.000 2.170 8 E HA 0.191 4.540 4.350 -0.001 0.000 0.191 8 E C 0.486 177.062 176.600 -0.041 0.000 0.981 8 E CA 0.792 57.275 56.400 0.139 0.000 0.830 8 E CB 0.218 30.017 29.700 0.166 0.000 0.775 8 E HN 0.484 nan 8.360 nan 0.000 0.470 9 K N 1.293 121.638 120.400 -0.090 0.000 2.262 9 K HA 0.204 4.524 4.320 -0.001 0.000 0.282 9 K C -2.556 173.917 176.600 -0.211 0.000 1.066 9 K CA -2.219 54.001 56.287 -0.113 0.000 0.901 9 K CB 0.858 33.319 32.500 -0.064 0.000 1.089 9 K HN -0.200 nan 8.250 nan 0.000 0.476 10 P HA -0.110 nan 4.420 nan 0.000 0.262 10 P C -1.269 175.922 177.300 -0.181 0.000 1.182 10 P CA -0.064 62.869 63.100 -0.278 0.000 0.761 10 P CB 0.429 32.006 31.700 -0.204 0.000 0.795 11 L N 4.215 125.328 121.223 -0.183 0.000 2.346 11 L HA 0.592 4.931 4.340 -0.001 0.000 0.276 11 L C -0.549 176.263 176.870 -0.097 0.000 1.006 11 L CA 0.126 54.889 54.840 -0.127 0.000 0.817 11 L CB 1.952 43.932 42.059 -0.133 0.000 1.272 11 L HN 0.230 nan 8.230 nan 0.000 0.421 12 T N 5.305 119.817 114.554 -0.071 0.000 2.824 12 T HA 0.722 5.072 4.350 -0.001 0.000 0.282 12 T C -1.098 173.570 174.700 -0.054 0.000 0.993 12 T CA -0.376 61.695 62.100 -0.048 0.000 0.967 12 T CB 1.321 70.171 68.868 -0.029 0.000 0.960 12 T HN 0.272 nan 8.240 nan 0.000 0.441 13 L N 2.496 123.685 121.223 -0.057 0.000 2.354 13 L HA 0.546 4.886 4.340 -0.001 0.000 0.264 13 L C -0.099 176.732 176.870 -0.065 0.000 1.008 13 L CA -0.820 53.977 54.840 -0.072 0.000 0.819 13 L CB 1.975 43.970 42.059 -0.107 0.000 1.339 13 L HN 0.505 nan 8.230 nan 0.000 0.420 14 K N 2.813 123.182 120.400 -0.051 0.000 2.227 14 K HA 0.566 4.886 4.320 -0.001 0.000 0.280 14 K C -0.871 175.708 176.600 -0.035 0.000 1.041 14 K CA -0.343 55.926 56.287 -0.030 0.000 0.905 14 K CB 1.896 34.394 32.500 -0.003 0.000 1.068 14 K HN 0.486 nan 8.250 nan 0.000 0.470 15 I N 2.098 122.634 120.570 -0.056 0.000 2.509 15 I HA 0.201 4.371 4.170 -0.001 0.000 0.293 15 I C -1.156 175.019 176.117 0.098 0.000 1.020 15 I CA -0.872 60.410 61.300 -0.031 0.000 1.088 15 I CB 1.252 39.097 38.000 -0.259 0.000 1.267 15 I HN 0.688 nan 8.210 nan 0.000 0.430 16 H N 8.196 127.337 119.070 0.119 0.000 2.661 16 H HA 0.513 5.069 4.556 -0.000 0.000 0.290 16 H C -1.169 174.325 175.328 0.276 0.000 1.082 16 H CA -0.516 55.636 56.048 0.172 0.000 1.234 16 H CB 0.938 30.777 29.762 0.129 0.000 1.387 16 H HN 0.649 nan 8.280 nan 0.000 0.476 17 M N 6.008 125.668 119.600 0.100 0.000 2.151 17 M HA 0.285 4.765 4.480 -0.001 0.000 0.290 17 M C -2.187 174.286 176.300 0.289 0.000 0.965 17 M CA -0.603 54.888 55.300 0.318 0.000 0.930 17 M CB 1.003 33.884 32.600 0.468 0.000 1.560 17 M HN 0.661 nan 8.290 nan 0.000 0.438 18 H N 5.851 125.083 119.070 0.271 0.000 2.589 18 H HA 0.678 5.234 4.556 -0.000 0.000 0.351 18 H C -2.133 173.416 175.328 0.368 0.000 1.074 18 H CA -0.230 55.948 56.048 0.217 0.000 1.203 18 H CB 1.417 31.243 29.762 0.107 0.000 1.558 18 H HN 0.791 nan 8.280 nan 0.000 0.522 19 F N 0.697 120.692 119.950 0.075 0.000 2.668 19 F HA 0.460 4.987 4.527 -0.001 0.000 0.309 19 F C 0.330 176.150 175.800 0.033 0.000 1.117 19 F CA -1.189 56.886 58.000 0.125 0.000 0.951 19 F CB 1.157 40.224 39.000 0.112 0.000 1.323 19 F HN 0.566 nan 8.300 nan 0.000 0.451 20 R N 1.058 121.672 120.500 0.190 0.000 3.758 20 R HA -0.215 4.125 4.340 -0.001 0.000 0.299 20 R C -0.574 175.625 176.300 -0.170 0.000 1.182 20 R CA 1.075 57.182 56.100 0.011 0.000 0.809 20 R CB -1.885 28.428 30.300 0.022 0.000 1.249 20 R HN 0.887 nan 8.270 nan 0.000 0.497 21 D N -1.376 118.997 120.400 -0.044 0.000 2.955 21 D HA -0.228 4.411 4.640 -0.001 0.000 0.226 21 D C 0.668 176.859 176.300 -0.182 0.000 1.178 21 D CA 2.151 56.137 54.000 -0.023 0.000 0.808 21 D CB -0.396 40.370 40.800 -0.058 0.000 1.099 21 D HN 0.692 nan 8.370 nan 0.000 0.421 22 K N -2.249 117.822 120.400 -0.548 0.000 2.648 22 K HA 0.085 4.404 4.320 -0.001 0.000 0.194 22 K C 0.334 176.284 176.600 -1.083 0.000 1.721 22 K CA 0.009 55.736 56.287 -0.932 0.000 1.183 22 K CB 0.601 32.220 32.500 -1.467 0.000 1.618 22 K HN 0.051 nan 8.250 nan 0.000 0.595 23 W N 2.439 123.252 121.300 -0.811 0.000 2.578 23 W HA 0.553 5.213 4.660 0.000 0.000 0.353 23 W C 0.076 176.050 176.519 -0.908 0.000 1.088 23 W CA -1.137 55.656 57.345 -0.921 0.000 1.235 23 W CB 1.210 29.887 29.460 -1.306 0.000 1.362 23 W HN -0.257 nan 8.180 nan 0.000 0.592 24 V N -1.777 118.047 119.914 -0.151 0.000 3.160 24 V HA 0.497 4.617 4.120 -0.001 0.000 0.310 24 V C -0.803 175.374 176.094 0.139 0.000 1.181 24 V CA -1.487 60.816 62.300 0.004 0.000 1.047 24 V CB 1.877 33.646 31.823 -0.090 0.000 1.068 24 V HN 0.798 nan 8.190 nan 0.000 0.441 25 W N 2.515 123.827 121.300 0.019 0.000 2.251 25 W HA 0.399 5.059 4.660 -0.001 0.000 0.327 25 W C -0.994 175.159 176.519 -0.609 0.000 1.361 25 W CA 0.587 57.816 57.345 -0.193 0.000 1.234 25 W CB 1.155 30.663 29.460 0.079 0.000 1.212 25 W HN 0.920 nan 8.180 nan 0.000 0.557 26 D N 5.291 124.579 120.400 -1.853 0.000 2.471 26 D HA 0.011 4.650 4.640 -0.001 0.000 0.245 26 D C 1.289 177.037 176.300 -0.921 0.000 1.116 26 D CA -0.160 53.067 54.000 -1.289 0.000 0.853 26 D CB 1.109 40.886 40.800 -1.705 0.000 1.123 26 D HN 0.510 nan 8.370 nan 0.000 0.540 27 E N 2.737 122.801 120.200 -0.227 0.000 2.401 27 E HA -0.218 4.132 4.350 -0.001 0.000 0.199 27 E C 0.630 177.224 176.600 -0.010 0.000 1.023 27 E CA 0.557 57.002 56.400 0.074 0.000 0.859 27 E CB -0.045 29.766 29.700 0.186 0.000 0.780 27 E HN 0.309 nan 8.360 nan 0.000 0.523 28 N N -0.029 118.590 118.700 -0.135 0.000 2.398 28 N HA -0.045 4.694 4.740 -0.001 0.000 0.188 28 N C -0.474 175.052 175.510 0.026 0.000 1.122 28 N CA -0.139 52.880 53.050 -0.052 0.000 0.866 28 N CB 0.064 38.507 38.487 -0.073 0.000 0.970 28 N HN 0.093 nan 8.380 nan 0.000 0.462 29 W N 1.207 122.430 121.300 -0.128 0.000 2.223 29 W HA 0.113 4.773 4.660 0.000 0.000 0.334 29 W C -1.449 175.015 176.519 -0.090 0.000 1.334 29 W CA -1.797 55.455 57.345 -0.155 0.000 1.246 29 W CB 0.041 29.329 29.460 -0.286 0.000 1.184 29 W HN 0.105 nan 8.180 nan 0.000 0.563 30 P HA -0.202 nan 4.420 nan 0.000 0.216 30 P C 1.685 179.034 177.300 0.083 0.000 1.150 30 P CA 1.599 64.752 63.100 0.088 0.000 0.837 30 P CB 0.294 32.023 31.700 0.049 0.000 0.786 31 V N -0.060 119.875 119.914 0.036 0.000 2.358 31 V HA -0.229 3.891 4.120 -0.001 0.000 0.246 31 V C 2.426 178.599 176.094 0.130 0.000 1.047 31 V CA 2.148 64.469 62.300 0.035 0.000 1.035 31 V CB -1.680 30.080 31.823 -0.105 0.000 0.658 31 V HN 0.097 nan 8.190 nan 0.000 0.452 32 A N -0.071 122.848 122.820 0.164 0.000 1.902 32 A HA -0.224 4.096 4.320 -0.001 0.000 0.217 32 A C 2.386 180.131 177.584 0.268 0.000 1.181 32 A CA 1.753 53.965 52.037 0.292 0.000 0.623 32 A CB -0.493 18.651 19.000 0.241 0.000 0.818 32 A HN 0.480 nan 8.150 nan 0.000 0.443 33 R N -1.016 119.596 120.500 0.187 0.000 2.115 33 R HA -0.122 4.218 4.340 -0.001 0.000 0.230 33 R C 2.189 178.566 176.300 0.128 0.000 1.111 33 R CA 1.414 57.602 56.100 0.146 0.000 0.976 33 R CB -0.163 30.203 30.300 0.110 0.000 0.870 33 R HN 0.621 nan 8.270 nan 0.000 0.445 34 E N 0.470 120.747 120.200 0.128 0.000 2.047 34 E HA -0.111 4.238 4.350 -0.001 0.000 0.191 34 E C 1.877 178.543 176.600 0.110 0.000 0.987 34 E CA 1.080 57.550 56.400 0.116 0.000 0.799 34 E CB -0.044 29.730 29.700 0.123 0.000 0.752 34 E HN -0.012 nan 8.360 nan 0.000 0.449 35 V N 1.097 121.095 119.914 0.141 0.000 2.287 35 V HA -0.296 3.824 4.120 -0.001 0.000 0.248 35 V C 2.390 178.484 176.094 0.001 0.000 1.053 35 V CA 1.883 64.226 62.300 0.072 0.000 1.027 35 V CB -1.124 30.827 31.823 0.212 0.000 0.646 35 V HN 0.442 nan 8.190 nan 0.000 0.447 36 A N 1.440 124.323 122.820 0.105 0.000 1.892 36 A HA -0.302 4.018 4.320 -0.001 0.000 0.218 36 A C 2.373 179.963 177.584 0.009 0.000 1.188 36 A CA 2.553 54.629 52.037 0.066 0.000 0.631 36 A CB -0.606 18.465 19.000 0.118 0.000 0.822 36 A HN 0.722 nan 8.150 nan 0.000 0.447 37 R N -0.446 120.091 120.500 0.062 0.000 2.148 37 R HA 0.134 4.474 4.340 -0.001 0.000 0.223 37 R C 1.706 178.124 176.300 0.196 0.000 1.088 37 R CA 1.392 57.570 56.100 0.129 0.000 0.985 37 R CB -0.539 29.844 30.300 0.138 0.000 0.880 37 R HN 0.450 nan 8.270 nan 0.000 0.451 38 L N 1.407 122.662 121.223 0.052 0.000 2.240 38 L HA -0.005 4.335 4.340 -0.001 0.000 0.211 38 L C 2.173 179.014 176.870 -0.048 0.000 1.106 38 L CA 1.584 56.427 54.840 0.005 0.000 0.793 38 L CB -0.189 41.788 42.059 -0.136 0.000 0.927 38 L HN 0.490 nan 8.230 nan 0.000 0.446 39 T N -5.590 108.835 114.554 -0.215 0.000 3.015 39 T HA 0.044 4.394 4.350 -0.001 0.000 0.250 39 T C 1.046 175.563 174.700 -0.305 0.000 1.057 39 T CA 0.362 62.317 62.100 -0.242 0.000 1.066 39 T CB 0.019 68.688 68.868 -0.331 0.000 0.959 39 T HN 0.389 nan 8.240 nan 0.000 0.488 40 N N -0.318 118.133 118.700 -0.414 0.000 2.952 40 N HA -0.136 4.603 4.740 -0.001 0.000 0.245 40 N C -1.104 174.173 175.510 -0.388 0.000 1.029 40 N CA 0.205 52.829 53.050 -0.711 0.000 0.870 40 N CB -0.968 36.625 38.487 -1.489 0.000 1.121 40 N HN 0.331 nan 8.380 nan 0.000 0.559 41 V N 1.505 121.290 119.914 -0.215 0.000 2.444 41 V HA 0.336 4.456 4.120 -0.001 0.000 0.294 41 V C 0.126 176.202 176.094 -0.029 0.000 1.022 41 V CA -0.549 61.678 62.300 -0.123 0.000 0.850 41 V CB 1.601 33.371 31.823 -0.088 0.000 0.992 41 V HN 0.109 nan 8.190 nan 0.000 0.426 42 K N 5.207 125.598 120.400 -0.016 0.000 2.182 42 K HA 0.712 5.032 4.320 -0.001 0.000 0.262 42 K C -1.358 175.279 176.600 0.060 0.000 0.957 42 K CA -0.671 55.654 56.287 0.063 0.000 0.842 42 K CB 1.403 33.934 32.500 0.051 0.000 1.099 42 K HN 0.616 nan 8.250 nan 0.000 0.438 43 L N 4.230 125.535 121.223 0.138 0.000 2.307 43 L HA 0.437 4.777 4.340 -0.001 0.000 0.284 43 L C -0.684 176.255 176.870 0.115 0.000 1.023 43 L CA -1.284 53.556 54.840 0.001 0.000 0.810 43 L CB 1.848 43.718 42.059 -0.314 0.000 1.231 43 L HN 0.360 nan 8.230 nan 0.000 0.423 44 V N 1.966 121.897 119.914 0.028 0.000 2.398 44 V HA 0.451 4.570 4.120 -0.001 0.000 0.286 44 V C 0.699 176.839 176.094 0.077 0.000 1.026 44 V CA -0.550 61.806 62.300 0.092 0.000 0.868 44 V CB 1.600 33.453 31.823 0.051 0.000 0.982 44 V HN 0.883 nan 8.190 nan 0.000 0.443 45 G N 2.635 111.549 108.800 0.191 0.000 2.370 45 G HA2 0.441 4.400 3.960 -0.001 0.000 0.272 45 G HA3 0.441 4.400 3.960 -0.001 0.000 0.272 45 G C 0.452 175.405 174.900 0.087 0.000 1.208 45 G CA 0.105 45.308 45.100 0.172 0.000 0.856 45 G HN 1.066 nan 8.290 nan 0.000 0.500 46 V N -0.308 119.651 119.914 0.074 0.000 3.253 46 V HA 0.658 4.778 4.120 -0.001 0.000 0.320 46 V C 1.060 177.200 176.094 0.077 0.000 1.442 46 V CA 0.147 62.494 62.300 0.079 0.000 1.097 46 V CB -0.535 31.349 31.823 0.102 0.000 1.008 46 V HN 0.864 nan 8.190 nan 0.000 0.463 47 A N 1.743 124.548 122.820 -0.025 0.000 2.287 47 A HA 0.621 4.941 4.320 -0.001 0.000 0.273 47 A C 0.148 177.755 177.584 0.037 0.000 1.091 47 A CA -0.169 51.795 52.037 -0.122 0.000 0.817 47 A CB 0.312 19.151 19.000 -0.269 0.000 1.069 47 A HN 0.568 nan 8.150 nan 0.000 0.492 48 N N -0.269 118.504 118.700 0.122 0.000 2.439 48 N HA 0.206 4.946 4.740 -0.001 0.000 0.249 48 N C 0.701 176.303 175.510 0.153 0.000 1.003 48 N CA -0.301 52.819 53.050 0.117 0.000 0.942 48 N CB 0.636 39.183 38.487 0.099 0.000 1.115 48 N HN 0.541 nan 8.380 nan 0.000 0.505 49 R N 2.606 123.143 120.500 0.061 0.000 2.189 49 R HA -0.005 4.334 4.340 -0.001 0.000 0.223 49 R C 1.336 177.656 176.300 0.033 0.000 1.092 49 R CA 1.245 57.357 56.100 0.019 0.000 0.989 49 R CB -0.054 30.240 30.300 -0.011 0.000 0.876 49 R HN 0.629 nan 8.270 nan 0.000 0.457 50 A N 1.497 124.340 122.820 0.039 0.000 2.119 50 A HA 0.200 4.519 4.320 -0.001 0.000 0.216 50 A C 1.125 178.720 177.584 0.018 0.000 1.152 50 A CA 0.424 52.471 52.037 0.016 0.000 0.708 50 A CB -0.110 18.895 19.000 0.009 0.000 0.805 50 A HN 0.314 nan 8.150 nan 0.000 0.460 51 A N 0.117 122.972 122.820 0.058 0.000 2.561 51 A HA 0.320 4.640 4.320 -0.001 0.000 0.234 51 A C 1.444 179.016 177.584 -0.020 0.000 1.055 51 A CA 0.844 52.875 52.037 -0.010 0.000 0.756 51 A CB -0.028 18.875 19.000 -0.161 0.000 0.986 51 A HN 0.816 nan 8.150 nan 0.000 0.505 52 T N -0.950 113.567 114.554 -0.061 0.000 3.014 52 T HA 0.145 4.495 4.350 -0.001 0.000 0.250 52 T C 0.463 175.124 174.700 -0.065 0.000 1.060 52 T CA 0.437 62.503 62.100 -0.057 0.000 1.040 52 T CB -0.062 68.778 68.868 -0.046 0.000 0.971 52 T HN 0.631 nan 8.240 nan 0.000 0.497 53 N N 0.463 119.100 118.700 -0.106 0.000 2.480 53 N HA 0.286 5.026 4.740 -0.001 0.000 0.289 53 N C 0.195 175.599 175.510 -0.176 0.000 1.073 53 N CA -0.139 52.855 53.050 -0.093 0.000 0.885 53 N CB 2.347 40.803 38.487 -0.052 0.000 1.421 53 N HN 0.020 nan 8.380 nan 0.000 0.503 54 S N 2.176 117.815 115.700 -0.101 0.000 2.370 54 S HA -0.145 4.325 4.470 -0.001 0.000 0.226 54 S C 1.654 176.271 174.600 0.029 0.000 1.033 54 S CA 1.086 59.258 58.200 -0.046 0.000 1.011 54 S CB 0.047 63.381 63.200 0.224 0.000 0.852 54 S HN 0.613 nan 8.310 nan 0.000 0.457 55 Q N 1.059 120.879 119.800 0.033 0.000 2.084 55 Q HA -0.138 4.202 4.340 -0.001 0.000 0.202 55 Q C 2.203 178.255 176.000 0.087 0.000 0.978 55 Q CA 1.366 57.199 55.803 0.050 0.000 0.844 55 Q CB -0.564 28.180 28.738 0.011 0.000 0.898 55 Q HN 0.768 nan 8.270 nan 0.000 0.426 56 E N 0.203 120.421 120.200 0.029 0.000 2.110 56 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 56 E C 1.827 178.444 176.600 0.029 0.000 0.988 56 E CA 0.890 57.304 56.400 0.024 0.000 0.804 56 E CB 0.242 29.933 29.700 -0.014 0.000 0.745 56 E HN 0.207 nan 8.360 nan 0.000 0.458 57 Q N -0.171 119.630 119.800 0.001 0.000 2.084 57 Q HA -0.169 4.171 4.340 -0.001 0.000 0.202 57 Q C 2.013 178.075 176.000 0.104 0.000 0.978 57 Q CA 1.219 57.048 55.803 0.044 0.000 0.844 57 Q CB -0.534 28.189 28.738 -0.024 0.000 0.898 57 Q HN 0.398 nan 8.270 nan 0.000 0.426 58 F N 2.383 122.348 119.950 0.025 0.000 2.134 58 F HA -0.178 4.349 4.527 -0.001 0.000 0.299 58 F C 1.681 177.411 175.800 -0.117 0.000 1.097 58 F CA 1.211 59.184 58.000 -0.045 0.000 1.264 58 F CB -0.182 38.817 39.000 -0.002 0.000 1.001 58 F HN 0.068 nan 8.300 nan 0.000 0.479 59 N N 0.785 119.608 118.700 0.204 0.000 2.084 59 N HA -0.167 4.572 4.740 -0.001 0.000 0.190 59 N C 2.021 177.486 175.510 -0.075 0.000 1.030 59 N CA 1.383 54.493 53.050 0.100 0.000 0.849 59 N CB -0.749 37.815 38.487 0.129 0.000 1.012 59 N HN 0.249 nan 8.380 nan 0.000 0.423 60 L N 1.210 122.390 121.223 -0.071 0.000 2.042 60 L HA -0.111 4.228 4.340 -0.001 0.000 0.210 60 L C 2.306 179.070 176.870 -0.177 0.000 1.076 60 L CA 1.303 56.087 54.840 -0.092 0.000 0.749 60 L CB -1.123 40.904 42.059 -0.053 0.000 0.893 60 L HN 0.328 nan 8.230 nan 0.000 0.432 61 M N -1.248 118.170 119.600 -0.303 0.000 2.067 61 M HA -0.288 4.192 4.480 -0.001 0.000 0.260 61 M C 2.324 178.372 176.300 -0.421 0.000 1.069 61 M CA 1.846 56.896 55.300 -0.416 0.000 1.117 61 M CB -0.150 31.998 32.600 -0.752 0.000 1.334 61 M HN 0.203 nan 8.290 nan 0.000 0.407 62 M N 0.844 120.109 119.600 -0.559 0.000 2.149 62 M HA -0.072 4.408 4.480 -0.001 0.000 0.261 62 M C 2.007 178.130 176.300 -0.296 0.000 1.064 62 M CA 2.171 57.143 55.300 -0.547 0.000 1.102 62 M CB -0.757 31.389 32.600 -0.758 0.000 1.369 62 M HN 0.397 nan 8.290 nan 0.000 0.408 63 A N -1.177 121.524 122.820 -0.198 0.000 2.016 63 A HA -0.031 4.289 4.320 -0.001 0.000 0.217 63 A C 2.181 179.706 177.584 -0.098 0.000 1.162 63 A CA 1.393 53.368 52.037 -0.104 0.000 0.662 63 A CB -1.159 17.807 19.000 -0.056 0.000 0.812 63 A HN 0.677 nan 8.150 nan 0.000 0.450 64 S N -1.221 114.406 115.700 -0.122 0.000 2.420 64 S HA 0.116 4.586 4.470 -0.001 0.000 0.237 64 S C 1.741 176.289 174.600 -0.086 0.000 1.023 64 S CA 1.747 59.890 58.200 -0.096 0.000 0.991 64 S CB -0.703 62.434 63.200 -0.106 0.000 0.792 64 S HN 1.940 nan 8.310 nan 0.000 0.488 65 G N -0.572 108.164 108.800 -0.106 0.000 2.213 65 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.236 65 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.236 65 G C -0.143 174.700 174.900 -0.096 0.000 0.991 65 G CA 0.141 45.188 45.100 -0.089 0.000 0.629 65 G HN 0.655 nan 8.290 nan 0.000 0.517 66 Q N -0.430 119.306 119.800 -0.107 0.000 2.348 66 Q HA 0.883 5.222 4.340 -0.001 0.000 0.271 66 Q C -0.138 175.782 176.000 -0.135 0.000 1.067 66 Q CA -0.398 55.345 55.803 -0.101 0.000 0.839 66 Q CB 2.332 31.026 28.738 -0.073 0.000 1.354 66 Q HN 0.362 nan 8.270 nan 0.000 0.447 67 L N 2.158 123.308 121.223 -0.121 0.000 2.422 67 L HA 0.660 5.000 4.340 -0.001 0.000 0.264 67 L C -2.226 174.598 176.870 -0.075 0.000 0.984 67 L CA -1.965 52.794 54.840 -0.135 0.000 0.819 67 L CB 2.293 44.243 42.059 -0.181 0.000 1.330 67 L HN 0.566 nan 8.230 nan 0.000 0.410 68 P HA 0.164 nan 4.420 nan 0.000 0.297 68 P C -0.605 176.697 177.300 0.003 0.000 1.303 68 P CA -0.254 62.848 63.100 0.004 0.000 0.753 68 P CB 1.242 32.981 31.700 0.064 0.000 1.281 69 D N -1.043 119.356 120.400 -0.002 0.000 2.249 69 D HA 0.155 4.794 4.640 -0.001 0.000 0.205 69 D C 0.758 177.059 176.300 0.002 0.000 0.962 69 D CA 1.168 55.153 54.000 -0.024 0.000 0.860 69 D CB 0.359 41.120 40.800 -0.065 0.000 0.955 69 D HN 0.299 nan 8.370 nan 0.000 0.505 70 I N 0.248 120.844 120.570 0.043 0.000 2.769 70 I HA 0.255 4.424 4.170 -0.001 0.000 0.298 70 I C -1.030 175.232 176.117 0.241 0.000 1.128 70 I CA -0.897 60.465 61.300 0.103 0.000 1.031 70 I CB 3.352 41.341 38.000 -0.019 0.000 1.235 70 I HN -0.411 nan 8.210 nan 0.000 0.423 71 V N 3.032 123.171 119.914 0.375 0.000 2.638 71 V HA 0.874 4.994 4.120 -0.001 0.000 0.306 71 V C 0.048 176.506 176.094 0.606 0.000 1.052 71 V CA -0.342 62.272 62.300 0.523 0.000 0.885 71 V CB 1.782 34.032 31.823 0.712 0.000 0.999 71 V HN 0.951 nan 8.190 nan 0.000 0.424 72 G N 1.529 110.693 108.800 0.607 0.000 2.694 72 G HA2 0.928 4.887 3.960 -0.001 0.000 0.290 72 G HA3 0.928 4.887 3.960 -0.001 0.000 0.290 72 G C -0.440 174.744 174.900 0.473 0.000 1.386 72 G CA -0.239 45.220 45.100 0.598 0.000 0.872 72 G HN 1.408 nan 8.290 nan 0.000 0.475 73 G N -0.326 108.675 108.800 0.335 0.000 2.356 73 G HA2 0.490 4.450 3.960 -0.001 0.000 0.300 73 G HA3 0.490 4.450 3.960 -0.001 0.000 0.300 73 G C -1.706 173.287 174.900 0.155 0.000 1.331 73 G CA -0.090 45.165 45.100 0.258 0.000 0.905 73 G HN 1.058 nan 8.290 nan 0.000 0.587 74 D N -0.348 120.150 120.400 0.164 0.000 2.253 74 D HA 0.412 5.052 4.640 -0.001 0.000 0.249 74 D C 0.587 176.904 176.300 0.029 0.000 1.049 74 D CA -0.521 53.553 54.000 0.123 0.000 0.929 74 D CB 0.719 41.626 40.800 0.178 0.000 1.176 74 D HN 0.560 nan 8.370 nan 0.000 0.437 75 N N 0.336 119.039 118.700 0.004 0.000 2.735 75 N HA -0.166 4.573 4.740 -0.001 0.000 0.248 75 N C 0.135 175.509 175.510 -0.227 0.000 1.083 75 N CA 0.362 53.373 53.050 -0.065 0.000 0.703 75 N CB -1.130 37.346 38.487 -0.018 0.000 1.005 75 N HN 0.574 nan 8.380 nan 0.000 0.550 76 L N -0.590 120.405 121.223 -0.381 0.000 2.766 76 L HA 0.112 4.452 4.340 -0.001 0.000 0.242 76 L C 2.159 178.503 176.870 -0.876 0.000 1.136 76 L CA -0.120 54.231 54.840 -0.815 0.000 0.933 76 L CB 0.057 41.344 42.059 -1.286 0.000 1.241 76 L HN 0.130 nan 8.230 nan 0.000 0.522 77 K N 1.095 121.192 120.400 -0.506 0.000 2.034 77 K HA -0.253 4.067 4.320 -0.001 0.000 0.214 77 K C 1.309 177.762 176.600 -0.245 0.000 1.051 77 K CA 2.256 58.280 56.287 -0.439 0.000 0.931 77 K CB 0.090 32.490 32.500 -0.167 0.000 0.715 77 K HN 0.210 nan 8.250 nan 0.000 0.446 78 D N 0.267 120.552 120.400 -0.191 0.000 2.219 78 D HA -0.108 4.532 4.640 -0.001 0.000 0.205 78 D C 1.682 177.915 176.300 -0.111 0.000 0.970 78 D CA 1.131 55.063 54.000 -0.113 0.000 0.851 78 D CB 0.074 40.814 40.800 -0.101 0.000 0.943 78 D HN 0.346 nan 8.370 nan 0.000 0.488 79 K N -0.467 119.797 120.400 -0.226 0.000 2.186 79 K HA 0.046 4.366 4.320 -0.001 0.000 0.202 79 K C 2.127 178.839 176.600 0.186 0.000 1.052 79 K CA 0.264 56.496 56.287 -0.091 0.000 0.965 79 K CB -0.050 32.145 32.500 -0.507 0.000 0.746 79 K HN 0.151 nan 8.250 nan 0.000 0.457 80 F N 1.071 120.980 119.950 -0.069 0.000 2.134 80 F HA -0.196 4.331 4.527 -0.001 0.000 0.299 80 F C 2.139 177.988 175.800 0.082 0.000 1.097 80 F CA 0.635 58.575 58.000 -0.100 0.000 1.264 80 F CB -0.087 38.696 39.000 -0.362 0.000 1.001 80 F HN -0.047 nan 8.300 nan 0.000 0.479 81 I N -0.602 120.117 120.570 0.247 0.000 2.233 81 I HA -0.227 3.943 4.170 -0.001 0.000 0.243 81 I C 2.673 178.786 176.117 -0.007 0.000 1.093 81 I CA 0.631 62.036 61.300 0.175 0.000 1.380 81 I CB -0.432 37.697 38.000 0.214 0.000 1.067 81 I HN 0.011 nan 8.210 nan 0.000 0.413 82 R N 1.198 121.687 120.500 -0.019 0.000 2.080 82 R HA -0.218 4.122 4.340 -0.001 0.000 0.236 82 R C 2.190 178.356 176.300 -0.223 0.000 1.137 82 R CA 2.129 58.131 56.100 -0.164 0.000 0.943 82 R CB -0.873 29.261 30.300 -0.278 0.000 0.846 82 R HN 0.304 nan 8.270 nan 0.000 0.431 83 Y N -0.247 120.126 120.300 0.120 0.000 2.509 83 Y HA 0.072 4.622 4.550 -0.001 0.000 0.293 83 Y C 2.364 178.273 175.900 0.014 0.000 1.133 83 Y CA 1.066 59.242 58.100 0.126 0.000 1.283 83 Y CB -0.545 38.101 38.460 0.310 0.000 1.001 83 Y HN 0.275 nan 8.280 nan 0.000 0.555 84 G N -0.527 108.254 108.800 -0.031 0.000 2.403 84 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.216 84 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.216 84 G C 1.560 175.993 174.900 -0.780 0.000 1.154 84 G CA 0.516 45.172 45.100 -0.740 0.000 0.784 84 G HN 0.315 nan 8.290 nan 0.000 0.538 85 M N 0.377 119.680 119.600 -0.495 0.000 2.630 85 M HA 0.102 4.581 4.480 -0.001 0.000 0.254 85 M C 1.567 177.829 176.300 -0.063 0.000 1.092 85 M CA 0.736 55.950 55.300 -0.144 0.000 1.087 85 M CB 0.218 32.793 32.600 -0.042 0.000 1.453 85 M HN 0.224 nan 8.290 nan 0.000 0.509 86 E N -0.541 119.614 120.200 -0.076 0.000 2.476 86 E HA 0.177 4.527 4.350 -0.001 0.000 0.196 86 E C 1.140 177.737 176.600 -0.005 0.000 1.029 86 E CA 0.224 56.608 56.400 -0.027 0.000 0.896 86 E CB 0.556 30.243 29.700 -0.022 0.000 1.012 86 E HN 0.593 nan 8.360 nan 0.000 0.475 87 G N 1.270 110.065 108.800 -0.009 0.000 2.199 87 G HA2 -0.406 3.554 3.960 -0.001 0.000 0.254 87 G HA3 -0.406 3.554 3.960 -0.001 0.000 0.254 87 G C 1.165 176.046 174.900 -0.032 0.000 0.982 87 G CA 0.369 45.475 45.100 0.009 0.000 0.632 87 G HN 0.417 nan 8.290 nan 0.000 0.529 88 A N -0.784 121.984 122.820 -0.088 0.000 1.930 88 A HA 0.512 4.831 4.320 -0.001 0.000 0.217 88 A C 0.776 178.076 177.584 -0.473 0.000 1.175 88 A CA 1.389 53.240 52.037 -0.310 0.000 0.627 88 A CB -0.146 18.605 19.000 -0.414 0.000 0.815 88 A HN 0.736 nan 8.150 nan 0.000 0.443 89 F N -0.433 119.576 119.950 0.099 0.000 2.508 89 F HA 0.533 5.060 4.527 -0.000 0.000 0.325 89 F C 0.267 176.189 175.800 0.202 0.000 1.090 89 F CA -1.726 56.359 58.000 0.142 0.000 0.945 89 F CB 1.276 40.394 39.000 0.197 0.000 1.156 89 F HN 0.218 nan 8.300 nan 0.000 0.463 90 I N 1.752 122.541 120.570 0.367 0.000 2.662 90 I HA 0.531 4.701 4.170 -0.001 0.000 0.291 90 I C -2.489 173.832 176.117 0.340 0.000 1.046 90 I CA -2.162 59.313 61.300 0.291 0.000 1.361 90 I CB 1.170 39.251 38.000 0.135 0.000 1.429 90 I HN 0.255 nan 8.210 nan 0.000 0.558 91 P HA 0.136 nan 4.420 nan 0.000 0.279 91 P C -0.252 177.014 177.300 -0.056 0.000 1.239 91 P CA -0.333 62.712 63.100 -0.091 0.000 0.789 91 P CB 1.728 33.340 31.700 -0.146 0.000 0.933 92 L N 2.296 123.459 121.223 -0.101 0.000 2.616 92 L HA 0.132 4.471 4.340 -0.001 0.000 0.229 92 L C 2.139 178.969 176.870 -0.067 0.000 1.110 92 L CA 0.605 55.415 54.840 -0.050 0.000 0.884 92 L CB -1.327 40.730 42.059 -0.004 0.000 1.115 92 L HN 0.352 nan 8.230 nan 0.000 0.481 93 N N 0.792 119.421 118.700 -0.117 0.000 2.027 93 N HA -0.279 4.461 4.740 -0.001 0.000 0.200 93 N C 1.465 176.937 175.510 -0.063 0.000 1.042 93 N CA 1.922 54.905 53.050 -0.111 0.000 0.871 93 N CB -0.115 38.291 38.487 -0.136 0.000 1.063 93 N HN 0.434 nan 8.380 nan 0.000 0.438 94 K N 0.977 121.345 120.400 -0.053 0.000 2.057 94 K HA -0.022 4.297 4.320 -0.001 0.000 0.206 94 K C 2.345 178.933 176.600 -0.020 0.000 1.050 94 K CA 0.709 56.976 56.287 -0.033 0.000 0.935 94 K CB -0.279 32.203 32.500 -0.030 0.000 0.715 94 K HN 0.152 nan 8.250 nan 0.000 0.439 95 L N 1.047 122.257 121.223 -0.022 0.000 2.042 95 L HA -0.216 4.124 4.340 -0.001 0.000 0.210 95 L C 2.419 179.290 176.870 0.002 0.000 1.076 95 L CA 1.268 56.098 54.840 -0.017 0.000 0.749 95 L CB -0.398 41.641 42.059 -0.032 0.000 0.893 95 L HN 0.181 nan 8.230 nan 0.000 0.432 96 I N -0.563 120.015 120.570 0.013 0.000 2.163 96 I HA -0.319 3.851 4.170 -0.001 0.000 0.240 96 I C 2.417 178.559 176.117 0.041 0.000 1.081 96 I CA 1.497 62.824 61.300 0.044 0.000 1.353 96 I CB -0.484 37.561 38.000 0.075 0.000 1.054 96 I HN 0.367 nan 8.210 nan 0.000 0.407 97 D N 0.615 121.028 120.400 0.022 0.000 2.190 97 D HA -0.229 4.410 4.640 -0.001 0.000 0.200 97 D C 1.977 178.289 176.300 0.020 0.000 0.992 97 D CA 1.575 55.586 54.000 0.019 0.000 0.854 97 D CB 0.156 40.955 40.800 -0.002 0.000 0.936 97 D HN 0.525 nan 8.370 nan 0.000 0.462 98 Q N -0.917 118.892 119.800 0.015 0.000 2.349 98 Q HA 0.073 4.412 4.340 -0.001 0.000 0.209 98 Q C 0.941 176.955 176.000 0.024 0.000 0.920 98 Q CA 0.524 56.337 55.803 0.016 0.000 0.901 98 Q CB 0.250 28.992 28.738 0.006 0.000 1.021 98 Q HN 0.244 nan 8.270 nan 0.000 0.519 99 N N -0.164 118.552 118.700 0.027 0.000 2.166 99 N HA 0.209 4.948 4.740 -0.001 0.000 0.213 99 N C -0.445 175.100 175.510 0.059 0.000 1.222 99 N CA 0.083 53.154 53.050 0.036 0.000 0.900 99 N CB 1.462 39.961 38.487 0.020 0.000 1.055 99 N HN 0.002 nan 8.380 nan 0.000 0.515 100 A N 1.508 124.367 122.820 0.064 0.000 2.923 100 A HA 0.360 4.679 4.320 -0.001 0.000 0.343 100 A C -1.698 175.936 177.584 0.084 0.000 1.199 100 A CA -1.347 50.742 52.037 0.086 0.000 0.878 100 A CB 0.496 19.546 19.000 0.084 0.000 1.104 100 A HN -0.062 nan 8.150 nan 0.000 0.483 101 P HA -0.230 nan 4.420 nan 0.000 0.215 101 P C 0.926 178.286 177.300 0.101 0.000 1.153 101 P CA 1.472 64.626 63.100 0.090 0.000 0.853 101 P CB 0.093 31.847 31.700 0.091 0.000 0.788 102 N N -0.177 118.598 118.700 0.124 0.000 2.120 102 N HA -0.093 4.647 4.740 -0.001 0.000 0.188 102 N C 2.044 177.605 175.510 0.085 0.000 1.024 102 N CA 0.674 53.817 53.050 0.155 0.000 0.852 102 N CB -0.538 38.081 38.487 0.218 0.000 1.003 102 N HN 0.119 nan 8.380 nan 0.000 0.424 103 L N 1.374 122.578 121.223 -0.032 0.000 2.072 103 L HA -0.122 4.218 4.340 -0.001 0.000 0.205 103 L C 2.308 179.125 176.870 -0.087 0.000 1.079 103 L CA 0.979 55.652 54.840 -0.279 0.000 0.752 103 L CB -0.290 41.593 42.059 -0.293 0.000 0.906 103 L HN 0.255 nan 8.230 nan 0.000 0.436 104 K N 0.102 120.541 120.400 0.066 0.000 2.148 104 K HA -0.055 4.265 4.320 -0.001 0.000 0.204 104 K C 2.046 178.711 176.600 0.108 0.000 1.050 104 K CA 1.220 57.590 56.287 0.138 0.000 0.942 104 K CB -0.369 32.194 32.500 0.104 0.000 0.724 104 K HN 0.200 nan 8.250 nan 0.000 0.446 105 A N 1.926 124.799 122.820 0.089 0.000 1.873 105 A HA -0.113 4.206 4.320 -0.001 0.000 0.215 105 A C 2.036 179.666 177.584 0.077 0.000 1.186 105 A CA 1.070 53.164 52.037 0.096 0.000 0.616 105 A CB -0.777 18.300 19.000 0.127 0.000 0.823 105 A HN 0.417 nan 8.150 nan 0.000 0.442 106 F N -0.121 119.754 119.950 -0.126 0.000 2.095 106 F HA -0.210 4.316 4.527 -0.001 0.000 0.298 106 F C 1.953 177.623 175.800 -0.215 0.000 1.104 106 F CA 1.893 59.701 58.000 -0.321 0.000 1.232 106 F CB -0.495 38.087 39.000 -0.697 0.000 0.987 106 F HN 0.235 nan 8.300 nan 0.000 0.475 107 F N 0.598 120.461 119.950 -0.146 0.000 2.216 107 F HA -0.169 4.358 4.527 0.000 0.000 0.300 107 F C 2.349 178.037 175.800 -0.187 0.000 1.085 107 F CA 0.965 58.838 58.000 -0.211 0.000 1.326 107 F CB -0.349 38.604 39.000 -0.077 0.000 1.027 107 F HN -0.085 nan 8.300 nan 0.000 0.497 108 K N -0.105 120.330 120.400 0.058 0.000 2.026 108 K HA -0.146 4.173 4.320 -0.001 0.000 0.208 108 K C 2.033 178.602 176.600 -0.052 0.000 1.048 108 K CA 1.974 58.266 56.287 0.009 0.000 0.929 108 K CB -0.619 31.894 32.500 0.021 0.000 0.713 108 K HN 0.309 nan 8.250 nan 0.000 0.439 109 T N -1.721 112.782 114.554 -0.085 0.000 3.055 109 T HA -0.053 4.297 4.350 -0.001 0.000 0.265 109 T C 0.806 175.261 174.700 -0.409 0.000 1.111 109 T CA 0.614 62.610 62.100 -0.174 0.000 1.118 109 T CB -0.118 68.691 68.868 -0.098 0.000 0.909 109 T HN 0.211 nan 8.240 nan 0.000 0.501 110 H N 1.391 120.207 119.070 -0.423 0.000 2.386 110 H HA 0.243 4.798 4.556 -0.001 0.000 0.232 110 H C -1.889 173.320 175.328 -0.199 0.000 1.416 110 H CA -1.715 54.083 56.048 -0.416 0.000 1.285 110 H CB 1.196 30.417 29.762 -0.900 0.000 1.625 110 H HN 0.289 nan 8.280 nan 0.000 0.521 111 P HA -0.204 nan 4.420 nan 0.000 0.219 111 P C 1.449 178.730 177.300 -0.030 0.000 1.146 111 P CA 1.161 64.238 63.100 -0.038 0.000 0.808 111 P CB 0.467 32.135 31.700 -0.053 0.000 0.779 112 E N 0.455 120.657 120.200 0.003 0.000 2.152 112 E HA -0.065 4.285 4.350 -0.001 0.000 0.192 112 E C 1.958 178.592 176.600 0.056 0.000 0.983 112 E CA 0.869 57.294 56.400 0.040 0.000 0.818 112 E CB -1.543 28.199 29.700 0.071 0.000 0.758 112 E HN 0.117 nan 8.360 nan 0.000 0.467 113 V N 1.719 121.690 119.914 0.096 0.000 2.453 113 V HA -0.242 3.878 4.120 -0.001 0.000 0.247 113 V C 2.795 178.956 176.094 0.111 0.000 1.048 113 V CA 2.059 64.455 62.300 0.161 0.000 1.049 113 V CB -0.704 31.288 31.823 0.281 0.000 0.672 113 V HN 0.305 nan 8.190 nan 0.000 0.457 114 Q N 0.052 119.862 119.800 0.017 0.000 2.079 114 Q HA -0.210 4.129 4.340 -0.001 0.000 0.200 114 Q C 2.465 178.294 176.000 -0.285 0.000 0.974 114 Q CA 1.575 57.163 55.803 -0.357 0.000 0.840 114 Q CB -0.074 28.255 28.738 -0.683 0.000 0.898 114 Q HN 0.501 nan 8.270 nan 0.000 0.430 115 R N -0.472 119.898 120.500 -0.217 0.000 2.096 115 R HA -0.089 4.251 4.340 -0.001 0.000 0.235 115 R C 2.146 178.272 176.300 -0.290 0.000 1.127 115 R CA 1.116 57.040 56.100 -0.292 0.000 0.968 115 R CB -0.193 29.920 30.300 -0.311 0.000 0.861 115 R HN 0.329 nan 8.270 nan 0.000 0.440 116 A N 1.073 123.815 122.820 -0.129 0.000 2.066 116 A HA -0.066 4.253 4.320 -0.001 0.000 0.218 116 A C 1.927 179.508 177.584 -0.005 0.000 1.157 116 A CA 0.942 52.959 52.037 -0.033 0.000 0.670 116 A CB -0.378 18.661 19.000 0.064 0.000 0.804 116 A HN 0.495 nan 8.150 nan 0.000 0.453 117 I N -3.988 116.549 120.570 -0.055 0.000 3.883 117 I HA 0.172 4.342 4.170 -0.001 0.000 0.326 117 I C -0.201 175.881 176.117 -0.059 0.000 1.283 117 I CA -0.027 61.247 61.300 -0.044 0.000 1.161 117 I CB -0.152 37.662 38.000 -0.309 0.000 1.012 117 I HN -0.101 nan 8.210 nan 0.000 0.421 118 T N 3.178 117.659 114.554 -0.122 0.000 2.851 118 T HA 0.553 4.903 4.350 -0.001 0.000 0.298 118 T C 0.575 175.252 174.700 -0.038 0.000 0.977 118 T CA -0.149 61.872 62.100 -0.130 0.000 1.126 118 T CB 1.257 69.998 68.868 -0.211 0.000 0.916 118 T HN 0.437 nan 8.240 nan 0.000 0.529 119 A N 5.178 128.012 122.820 0.024 0.000 2.296 119 A HA 0.456 4.776 4.320 -0.001 0.000 0.264 119 A C -1.199 176.409 177.584 0.039 0.000 1.097 119 A CA -1.455 50.648 52.037 0.111 0.000 0.811 119 A CB -0.272 18.912 19.000 0.306 0.000 1.072 119 A HN 0.526 nan 8.150 nan 0.000 0.495 120 P HA -0.115 nan 4.420 nan 0.000 0.226 120 P C 0.022 177.331 177.300 0.014 0.000 1.146 120 P CA 1.709 64.819 63.100 0.017 0.000 0.773 120 P CB 0.038 31.753 31.700 0.025 0.000 0.772 121 D N -3.205 117.220 120.400 0.041 0.000 2.395 121 D HA 0.188 4.827 4.640 -0.001 0.000 0.213 121 D C 1.375 177.660 176.300 -0.025 0.000 1.110 121 D CA 0.197 54.211 54.000 0.024 0.000 0.835 121 D CB -0.647 40.198 40.800 0.075 0.000 0.965 121 D HN 0.119 nan 8.370 nan 0.000 0.505 122 G N -0.104 108.660 108.800 -0.060 0.000 2.176 122 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.253 122 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.253 122 G C -0.012 174.786 174.900 -0.171 0.000 0.979 122 G CA -0.150 44.882 45.100 -0.113 0.000 0.641 122 G HN 0.385 nan 8.290 nan 0.000 0.530 123 N N 0.170 118.742 118.700 -0.213 0.000 2.524 123 N HA 0.572 5.312 4.740 -0.001 0.000 0.283 123 N C 0.116 175.324 175.510 -0.503 0.000 1.142 123 N CA -0.178 52.616 53.050 -0.426 0.000 0.984 123 N CB 1.067 39.121 38.487 -0.722 0.000 1.155 123 N HN 0.274 nan 8.380 nan 0.000 0.467 124 I N 2.213 122.497 120.570 -0.478 0.000 2.312 124 I HA 0.141 4.311 4.170 -0.001 0.000 0.290 124 I C 0.145 176.055 176.117 -0.345 0.000 1.008 124 I CA -0.323 60.766 61.300 -0.351 0.000 1.226 124 I CB 0.535 38.357 38.000 -0.296 0.000 1.371 124 I HN 0.549 nan 8.210 nan 0.000 0.468 125 Y N 6.242 126.589 120.300 0.078 0.000 2.458 125 Y HA 0.151 4.701 4.550 -0.001 0.000 0.256 125 Y C -0.240 175.724 175.900 0.106 0.000 1.159 125 Y CA -0.564 57.626 58.100 0.151 0.000 1.261 125 Y CB 0.344 38.955 38.460 0.252 0.000 1.119 125 Y HN 0.597 nan 8.280 nan 0.000 0.524 126 Y N -2.860 117.434 120.300 -0.009 0.000 2.677 126 Y HA 0.599 5.149 4.550 -0.001 0.000 0.334 126 Y C -2.166 173.756 175.900 0.036 0.000 1.196 126 Y CA -2.648 55.363 58.100 -0.149 0.000 1.059 126 Y CB 0.561 38.722 38.460 -0.498 0.000 1.315 126 Y HN -0.290 nan 8.280 nan 0.000 0.455 127 L N 4.098 125.355 121.223 0.057 0.000 2.307 127 L HA 0.641 4.981 4.340 -0.001 0.000 0.284 127 L C -2.448 174.525 176.870 0.173 0.000 1.023 127 L CA -1.883 52.977 54.840 0.034 0.000 0.810 127 L CB 2.356 44.493 42.059 0.130 0.000 1.231 127 L HN 0.493 nan 8.230 nan 0.000 0.423 128 P HA 0.092 nan 4.420 nan 0.000 0.283 128 P C -1.497 175.950 177.300 0.244 0.000 1.278 128 P CA -0.547 62.723 63.100 0.284 0.000 0.834 128 P CB 1.141 32.989 31.700 0.247 0.000 1.150 129 Y N 1.689 122.051 120.300 0.103 0.000 2.436 129 Y HA 0.310 4.859 4.550 -0.001 0.000 0.343 129 Y C -1.051 174.832 175.900 -0.028 0.000 1.008 129 Y CA -1.375 56.736 58.100 0.019 0.000 1.241 129 Y CB -0.078 38.437 38.460 0.092 0.000 1.153 129 Y HN -0.023 nan 8.280 nan 0.000 0.521 130 V N 10.330 130.287 119.914 0.072 0.000 2.275 130 V HA 0.299 4.418 4.120 -0.001 0.000 0.272 130 V C -2.048 174.017 176.094 -0.048 0.000 1.028 130 V CA -1.821 60.459 62.300 -0.033 0.000 0.810 130 V CB 0.707 32.527 31.823 -0.005 0.000 1.043 130 V HN 0.690 nan 8.190 nan 0.000 0.453 131 P HA 0.203 nan 4.420 nan 0.000 0.271 131 P C -0.879 176.505 177.300 0.140 0.000 1.233 131 P CA -0.064 63.029 63.100 -0.011 0.000 0.789 131 P CB 1.237 32.879 31.700 -0.096 0.000 0.951 132 D N -1.017 119.508 120.400 0.209 0.000 2.481 132 D HA 0.521 5.161 4.640 -0.001 0.000 0.244 132 D C -0.470 175.959 176.300 0.216 0.000 1.057 132 D CA 0.064 54.208 54.000 0.239 0.000 0.848 132 D CB 1.078 42.026 40.800 0.246 0.000 1.388 132 D HN 0.677 nan 8.370 nan 0.000 0.475 133 G N 2.311 111.157 108.800 0.077 0.000 3.391 133 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.683 133 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.683 133 G C 0.584 175.472 174.900 -0.019 0.000 1.071 133 G CA -0.117 44.908 45.100 -0.125 0.000 0.904 133 G HN 0.504 nan 8.290 nan 0.000 0.452 134 L N 1.582 122.786 121.223 -0.033 0.000 2.179 134 L HA 0.051 4.391 4.340 -0.001 0.000 0.208 134 L C 1.920 178.794 176.870 0.006 0.000 1.096 134 L CA 0.467 55.316 54.840 0.015 0.000 0.779 134 L CB -0.121 41.952 42.059 0.023 0.000 0.922 134 L HN 0.499 nan 8.230 nan 0.000 0.443 135 V N 0.859 120.750 119.914 -0.038 0.000 2.557 135 V HA -0.095 4.025 4.120 -0.001 0.000 0.301 135 V C 1.109 177.196 176.094 -0.012 0.000 1.026 135 V CA 0.871 63.160 62.300 -0.018 0.000 1.137 135 V CB 0.919 32.670 31.823 -0.121 0.000 0.917 135 V HN 0.494 nan 8.190 nan 0.000 0.484 136 S N 5.626 121.257 115.700 -0.114 0.000 3.414 136 S HA 0.370 4.840 4.470 -0.001 0.000 0.193 136 S C 0.650 174.918 174.600 -0.555 0.000 0.825 136 S CA -0.579 57.283 58.200 -0.564 0.000 0.837 136 S CB 0.417 62.990 63.200 -1.045 0.000 0.940 136 S HN 0.577 nan 8.310 nan 0.000 0.639 137 R N 0.802 120.927 120.500 -0.626 0.000 2.674 137 R HA 0.767 5.107 4.340 -0.001 0.000 0.266 137 R C -0.229 175.754 176.300 -0.528 0.000 1.016 137 R CA -0.229 55.470 56.100 -0.669 0.000 1.062 137 R CB 1.360 31.135 30.300 -0.874 0.000 1.142 137 R HN 0.626 nan 8.270 nan 0.000 0.517 138 G N 0.217 108.444 108.800 -0.956 0.000 2.677 138 G HA2 0.364 4.324 3.960 -0.001 0.000 0.291 138 G HA3 0.364 4.324 3.960 -0.001 0.000 0.291 138 G C -1.750 172.838 174.900 -0.520 0.000 1.435 138 G CA -0.679 43.955 45.100 -0.778 0.000 0.826 138 G HN 0.344 nan 8.290 nan 0.000 0.491 139 Y N -0.453 119.954 120.300 0.177 0.000 2.346 139 Y HA 0.576 5.125 4.550 -0.001 0.000 0.330 139 Y C -0.069 175.825 175.900 -0.010 0.000 1.178 139 Y CA 0.403 58.677 58.100 0.290 0.000 1.331 139 Y CB 1.002 39.679 38.460 0.361 0.000 1.253 139 Y HN 0.301 nan 8.280 nan 0.000 0.529 140 F N 3.320 123.389 119.950 0.198 0.000 2.551 140 F HA 0.602 5.128 4.527 -0.001 0.000 0.316 140 F C -0.403 175.481 175.800 0.139 0.000 1.089 140 F CA -1.017 57.030 58.000 0.079 0.000 0.915 140 F CB 1.646 40.619 39.000 -0.044 0.000 1.186 140 F HN 0.288 nan 8.300 nan 0.000 0.456 141 I N 2.473 123.172 120.570 0.216 0.000 2.828 141 I HA 0.478 4.648 4.170 -0.001 0.000 0.302 141 I C -0.747 175.378 176.117 0.014 0.000 1.101 141 I CA -1.065 60.352 61.300 0.195 0.000 1.031 141 I CB 1.521 39.655 38.000 0.223 0.000 1.231 141 I HN 0.366 nan 8.210 nan 0.000 0.427 142 R N 4.298 124.752 120.500 -0.078 0.000 2.351 142 R HA 0.051 4.391 4.340 -0.001 0.000 0.321 142 R C 0.482 176.681 176.300 -0.169 0.000 1.182 142 R CA -0.036 55.808 56.100 -0.427 0.000 1.011 142 R CB 0.541 30.241 30.300 -1.000 0.000 1.048 142 R HN 0.608 nan 8.270 nan 0.000 0.490 143 Q N 2.332 122.039 119.800 -0.155 0.000 2.170 143 Q HA -0.166 4.173 4.340 -0.001 0.000 0.203 143 Q C 1.069 177.062 176.000 -0.013 0.000 0.976 143 Q CA 2.034 57.818 55.803 -0.032 0.000 0.858 143 Q CB 0.163 28.877 28.738 -0.040 0.000 0.907 143 Q HN 0.582 nan 8.270 nan 0.000 0.433 144 D N -1.552 118.785 120.400 -0.105 0.000 2.219 144 D HA -0.187 4.452 4.640 -0.001 0.000 0.205 144 D C 1.066 177.466 176.300 0.167 0.000 0.970 144 D CA 0.748 54.747 54.000 -0.003 0.000 0.851 144 D CB -0.640 40.134 40.800 -0.044 0.000 0.943 144 D HN 0.342 nan 8.370 nan 0.000 0.488 145 W N 1.102 122.312 121.300 -0.149 0.000 2.453 145 W HA 0.249 4.909 4.660 -0.000 0.000 0.289 145 W C 2.490 179.044 176.519 0.057 0.000 1.215 145 W CA -0.234 57.007 57.345 -0.173 0.000 1.297 145 W CB -0.944 28.142 29.460 -0.624 0.000 1.113 145 W HN -0.023 nan 8.180 nan 0.000 0.551 146 L N 0.060 121.515 121.223 0.387 0.000 2.042 146 L HA -0.247 4.093 4.340 -0.001 0.000 0.210 146 L C 2.110 179.066 176.870 0.143 0.000 1.076 146 L CA 1.506 56.528 54.840 0.302 0.000 0.749 146 L CB -0.786 41.404 42.059 0.219 0.000 0.893 146 L HN -0.128 nan 8.230 nan 0.000 0.432 147 D N -0.097 120.362 120.400 0.099 0.000 2.084 147 D HA -0.149 4.491 4.640 -0.001 0.000 0.196 147 D C 2.222 178.463 176.300 -0.099 0.000 0.985 147 D CA 0.966 54.987 54.000 0.034 0.000 0.826 147 D CB -0.135 40.692 40.800 0.044 0.000 0.978 147 D HN 0.142 nan 8.370 nan 0.000 0.456 148 K N 0.447 120.802 120.400 -0.075 0.000 2.074 148 K HA -0.092 4.227 4.320 -0.001 0.000 0.209 148 K C 2.099 178.471 176.600 -0.379 0.000 1.048 148 K CA 0.687 56.864 56.287 -0.184 0.000 0.926 148 K CB -0.408 32.043 32.500 -0.083 0.000 0.713 148 K HN 0.280 nan 8.250 nan 0.000 0.444 149 L N 0.396 121.496 121.223 -0.204 0.000 2.591 149 L HA 0.053 4.393 4.340 -0.001 0.000 0.228 149 L C -0.282 176.533 176.870 -0.092 0.000 1.133 149 L CA -0.008 54.746 54.840 -0.143 0.000 0.880 149 L CB -0.640 41.435 42.059 0.027 0.000 1.033 149 L HN 0.306 nan 8.230 nan 0.000 0.450 150 H N -0.487 118.615 119.070 0.052 0.000 2.770 150 H HA -0.119 4.437 4.556 -0.001 0.000 0.309 150 H C -0.168 175.178 175.328 0.029 0.000 1.206 150 H CA 0.512 56.582 56.048 0.035 0.000 1.147 150 H CB -2.045 27.728 29.762 0.019 0.000 1.422 150 H HN 0.303 nan 8.280 nan 0.000 0.420 151 L N 0.192 121.480 121.223 0.107 0.000 2.331 151 L HA 0.393 4.732 4.340 -0.001 0.000 0.275 151 L C 0.957 177.858 176.870 0.052 0.000 1.022 151 L CA -0.772 54.105 54.840 0.062 0.000 0.812 151 L CB 1.761 43.839 42.059 0.031 0.000 1.257 151 L HN -0.045 nan 8.230 nan 0.000 0.435 152 K N 0.324 120.737 120.400 0.021 0.000 2.107 152 K HA 0.315 4.635 4.320 -0.001 0.000 0.251 152 K C -0.305 176.293 176.600 -0.004 0.000 1.012 152 K CA -0.623 55.672 56.287 0.013 0.000 0.920 152 K CB 0.817 33.316 32.500 -0.001 0.000 1.033 152 K HN 0.478 nan 8.250 nan 0.000 0.478 153 T N 4.495 119.049 114.554 -0.000 0.000 2.867 153 T HA 0.062 4.411 4.350 -0.001 0.000 0.297 153 T C -2.128 172.541 174.700 -0.051 0.000 0.989 153 T CA -0.945 61.148 62.100 -0.012 0.000 1.159 153 T CB 0.103 68.971 68.868 0.001 0.000 0.928 153 T HN 0.395 nan 8.240 nan 0.000 0.538 154 P HA 0.139 nan 4.420 nan 0.000 0.271 154 P C 0.078 177.290 177.300 -0.147 0.000 1.220 154 P CA -0.244 62.781 63.100 -0.125 0.000 0.768 154 P CB 0.930 32.533 31.700 -0.162 0.000 0.848 155 Q N 0.797 120.509 119.800 -0.146 0.000 2.378 155 Q HA 0.108 4.448 4.340 -0.001 0.000 0.216 155 Q C 0.991 176.860 176.000 -0.219 0.000 0.892 155 Q CA 0.819 56.526 55.803 -0.160 0.000 0.931 155 Q CB 0.433 29.105 28.738 -0.111 0.000 1.086 155 Q HN 0.649 nan 8.270 nan 0.000 0.528 156 T N -4.343 110.069 114.554 -0.236 0.000 2.865 156 T HA 0.456 4.806 4.350 -0.001 0.000 0.294 156 T C 1.174 175.664 174.700 -0.350 0.000 1.119 156 T CA -0.609 61.317 62.100 -0.289 0.000 1.007 156 T CB 1.361 70.100 68.868 -0.215 0.000 1.225 156 T HN -0.249 nan 8.240 nan 0.000 0.515 157 V N 0.840 120.486 119.914 -0.447 0.000 2.332 157 V HA -0.128 3.991 4.120 -0.001 0.000 0.248 157 V C 2.553 178.559 176.094 -0.146 0.000 1.055 157 V CA 2.342 64.349 62.300 -0.488 0.000 1.038 157 V CB -0.763 30.635 31.823 -0.709 0.000 0.651 157 V HN 1.009 nan 8.190 nan 0.000 0.450 158 D N -0.230 120.108 120.400 -0.104 0.000 2.144 158 D HA -0.143 4.497 4.640 -0.001 0.000 0.200 158 D C 2.230 178.545 176.300 0.025 0.000 0.978 158 D CA 1.107 55.120 54.000 0.022 0.000 0.833 158 D CB -0.002 40.788 40.800 -0.016 0.000 0.961 158 D HN 0.568 nan 8.370 nan 0.000 0.470 159 E N -0.352 119.807 120.200 -0.069 0.000 2.106 159 E HA -0.154 4.195 4.350 -0.001 0.000 0.192 159 E C 2.013 178.542 176.600 -0.119 0.000 0.984 159 E CA 0.308 56.656 56.400 -0.087 0.000 0.806 159 E CB -0.003 29.628 29.700 -0.114 0.000 0.750 159 E HN 0.183 nan 8.360 nan 0.000 0.458 160 L N 0.324 121.462 121.223 -0.142 0.000 2.093 160 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 160 L C 2.175 178.930 176.870 -0.192 0.000 1.085 160 L CA 1.597 56.333 54.840 -0.172 0.000 0.755 160 L CB -0.580 41.358 42.059 -0.202 0.000 0.904 160 L HN 0.142 nan 8.230 nan 0.000 0.435 161 Y N -0.062 120.085 120.300 -0.256 0.000 2.145 161 Y HA -0.284 4.265 4.550 -0.001 0.000 0.286 161 Y C 2.323 178.011 175.900 -0.354 0.000 1.145 161 Y CA 2.446 60.276 58.100 -0.450 0.000 1.148 161 Y CB -0.553 37.789 38.460 -0.197 0.000 0.981 161 Y HN 0.203 nan 8.280 nan 0.000 0.507 162 T N -0.119 114.306 114.554 -0.214 0.000 2.720 162 T HA -0.199 4.151 4.350 -0.001 0.000 0.268 162 T C 1.974 176.462 174.700 -0.354 0.000 1.037 162 T CA 1.719 63.654 62.100 -0.275 0.000 1.144 162 T CB -0.740 68.061 68.868 -0.110 0.000 0.864 162 T HN 0.237 nan 8.240 nan 0.000 0.444 163 V N 1.521 121.219 119.914 -0.360 0.000 2.295 163 V HA -0.099 4.020 4.120 -0.001 0.000 0.246 163 V C 2.499 178.160 176.094 -0.722 0.000 1.049 163 V CA 1.446 63.441 62.300 -0.508 0.000 1.024 163 V CB -0.664 30.860 31.823 -0.498 0.000 0.648 163 V HN 0.450 nan 8.190 nan 0.000 0.447 164 L N -0.572 120.298 121.223 -0.589 0.000 2.131 164 L HA -0.156 4.184 4.340 -0.001 0.000 0.210 164 L C 2.624 179.288 176.870 -0.343 0.000 1.092 164 L CA 1.413 55.993 54.840 -0.433 0.000 0.759 164 L CB -0.642 41.209 42.059 -0.347 0.000 0.903 164 L HN 0.303 nan 8.230 nan 0.000 0.435 165 K N 0.164 120.269 120.400 -0.491 0.000 2.148 165 K HA -0.074 4.246 4.320 -0.001 0.000 0.204 165 K C 2.211 178.675 176.600 -0.228 0.000 1.050 165 K CA 1.249 57.290 56.287 -0.410 0.000 0.942 165 K CB -0.102 32.051 32.500 -0.579 0.000 0.724 165 K HN 0.261 nan 8.250 nan 0.000 0.446 166 A N 1.199 123.887 122.820 -0.219 0.000 1.898 166 A HA -0.126 4.194 4.320 -0.001 0.000 0.216 166 A C 1.898 179.519 177.584 0.062 0.000 1.181 166 A CA 1.058 53.039 52.037 -0.094 0.000 0.620 166 A CB -0.528 18.413 19.000 -0.098 0.000 0.819 166 A HN 0.112 nan 8.150 nan 0.000 0.442 167 F N 0.364 120.255 119.950 -0.098 0.000 2.134 167 F HA -0.113 4.413 4.527 -0.001 0.000 0.299 167 F C 2.202 177.920 175.800 -0.137 0.000 1.097 167 F CA 1.667 59.617 58.000 -0.083 0.000 1.264 167 F CB -0.818 38.246 39.000 0.107 0.000 1.001 167 F HN 0.241 nan 8.300 nan 0.000 0.479 168 K N 0.610 121.065 120.400 0.091 0.000 2.057 168 K HA -0.153 4.166 4.320 -0.001 0.000 0.206 168 K C 1.665 178.234 176.600 -0.051 0.000 1.050 168 K CA 1.735 58.022 56.287 -0.001 0.000 0.935 168 K CB -0.133 32.340 32.500 -0.047 0.000 0.715 168 K HN 0.290 nan 8.250 nan 0.000 0.439 169 E N -0.826 119.335 120.200 -0.064 0.000 2.389 169 E HA 0.067 4.417 4.350 -0.001 0.000 0.199 169 E C 0.799 177.353 176.600 -0.077 0.000 0.978 169 E CA 0.217 56.574 56.400 -0.072 0.000 0.912 169 E CB 0.431 30.085 29.700 -0.075 0.000 0.907 169 E HN 0.131 nan 8.360 nan 0.000 0.494 170 K N 1.428 121.780 120.400 -0.081 0.000 2.469 170 K HA 0.015 4.334 4.320 -0.001 0.000 0.201 170 K C -0.518 175.998 176.600 -0.141 0.000 1.028 170 K CA 0.048 56.282 56.287 -0.090 0.000 1.170 170 K CB 0.171 32.635 32.500 -0.062 0.000 0.874 170 K HN -0.047 nan 8.250 nan 0.000 0.507 171 D N 1.155 121.446 120.400 -0.182 0.000 2.735 171 D HA -0.115 4.524 4.640 -0.001 0.000 0.235 171 D C -1.417 174.675 176.300 -0.348 0.000 1.175 171 D CA 0.104 53.961 54.000 -0.237 0.000 0.683 171 D CB 0.155 40.864 40.800 -0.151 0.000 1.008 171 D HN 0.198 nan 8.370 nan 0.000 0.416 172 P HA -0.190 nan 4.420 nan 0.000 0.218 172 P C 0.957 177.813 177.300 -0.740 0.000 1.149 172 P CA 1.518 64.123 63.100 -0.824 0.000 0.817 172 P CB -0.257 30.534 31.700 -1.515 0.000 0.785 173 N N -0.755 117.542 118.700 -0.670 0.000 2.449 173 N HA 0.020 4.760 4.740 -0.001 0.000 0.191 173 N C 1.116 176.564 175.510 -0.104 0.000 1.161 173 N CA 0.462 53.387 53.050 -0.207 0.000 0.863 173 N CB -0.807 37.668 38.487 -0.020 0.000 0.980 173 N HN 0.004 nan 8.380 nan 0.000 0.458 174 G N 2.308 111.015 108.800 -0.155 0.000 2.321 174 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.287 174 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.287 174 G C 0.286 175.155 174.900 -0.053 0.000 1.018 174 G CA 0.724 45.770 45.100 -0.089 0.000 0.855 174 G HN 0.795 nan 8.290 nan 0.000 0.507 175 N N -0.628 118.039 118.700 -0.055 0.000 2.235 175 N HA 0.393 5.133 4.740 -0.001 0.000 0.209 175 N C 1.624 177.113 175.510 -0.035 0.000 1.122 175 N CA 0.383 53.414 53.050 -0.031 0.000 0.845 175 N CB 0.043 38.520 38.487 -0.016 0.000 1.004 175 N HN 1.379 nan 8.380 nan 0.000 0.499 176 G N -0.182 108.589 108.800 -0.049 0.000 2.196 176 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.268 176 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.268 176 G C -0.259 174.615 174.900 -0.043 0.000 0.975 176 G CA 0.806 45.880 45.100 -0.043 0.000 0.648 176 G HN 0.547 nan 8.290 nan 0.000 0.538 177 K N -0.426 119.946 120.400 -0.047 0.000 2.340 177 K HA 0.749 5.069 4.320 -0.001 0.000 0.244 177 K C -0.001 176.566 176.600 -0.056 0.000 0.973 177 K CA -0.370 55.893 56.287 -0.041 0.000 0.828 177 K CB 2.098 34.581 32.500 -0.028 0.000 1.226 177 K HN 0.453 nan 8.250 nan 0.000 0.437 178 A N 2.459 125.251 122.820 -0.047 0.000 3.015 178 A HA 0.088 4.408 4.320 -0.001 0.000 0.293 178 A C -0.013 177.548 177.584 -0.039 0.000 1.572 178 A CA -0.358 51.646 52.037 -0.054 0.000 1.274 178 A CB -0.596 18.376 19.000 -0.046 0.000 1.156 178 A HN 0.787 nan 8.150 nan 0.000 0.562 179 D N 0.212 120.588 120.400 -0.039 0.000 2.389 179 D HA 0.043 4.683 4.640 -0.001 0.000 0.206 179 D C -0.024 176.280 176.300 0.006 0.000 1.055 179 D CA 0.039 54.031 54.000 -0.013 0.000 0.856 179 D CB -0.122 40.677 40.800 -0.003 0.000 0.957 179 D HN 0.415 nan 8.370 nan 0.000 0.509 180 E N 0.494 120.683 120.200 -0.018 0.000 2.413 180 E HA 0.258 4.607 4.350 -0.001 0.000 0.263 180 E C -0.118 176.534 176.600 0.086 0.000 1.015 180 E CA 0.365 56.788 56.400 0.038 0.000 0.916 180 E CB 1.054 30.698 29.700 -0.092 0.000 0.947 180 E HN 0.272 nan 8.360 nan 0.000 0.440 181 I N 5.429 126.088 120.570 0.147 0.000 2.405 181 I HA 0.168 4.338 4.170 -0.001 0.000 0.280 181 I C -1.850 174.394 176.117 0.212 0.000 1.027 181 I CA -2.108 59.265 61.300 0.121 0.000 1.161 181 I CB 1.583 39.614 38.000 0.051 0.000 1.300 181 I HN 0.369 nan 8.210 nan 0.000 0.463 182 P HA -0.186 nan 4.420 nan 0.000 0.213 182 P C 0.007 177.559 177.300 0.420 0.000 1.170 182 P CA 1.448 64.797 63.100 0.415 0.000 0.902 182 P CB 0.215 32.104 31.700 0.315 0.000 0.789 183 F N 0.036 120.109 119.950 0.205 0.000 2.467 183 F HA 0.514 5.041 4.527 -0.001 0.000 0.336 183 F C -0.408 175.452 175.800 0.100 0.000 1.123 183 F CA -1.478 56.643 58.000 0.201 0.000 0.964 183 F CB 0.804 39.969 39.000 0.275 0.000 1.136 183 F HN -0.236 nan 8.300 nan 0.000 0.447 184 I N 3.417 123.616 120.570 -0.619 0.000 3.042 184 I HA 0.646 4.816 4.170 -0.001 0.000 0.310 184 I C -1.594 174.122 176.117 -0.668 0.000 1.117 184 I CA -0.705 60.298 61.300 -0.496 0.000 1.003 184 I CB 2.324 40.050 38.000 -0.456 0.000 1.228 184 I HN 0.584 nan 8.210 nan 0.000 0.443 185 N N 1.721 120.207 118.700 -0.356 0.000 2.516 185 N HA 0.265 5.005 4.740 -0.001 0.000 0.268 185 N C -0.178 175.266 175.510 -0.110 0.000 1.096 185 N CA -0.606 52.313 53.050 -0.219 0.000 0.954 185 N CB 2.554 40.986 38.487 -0.092 0.000 1.676 185 N HN 0.913 nan 8.380 nan 0.000 0.490 186 R N 0.327 120.800 120.500 -0.046 0.000 2.276 186 R HA 0.156 4.496 4.340 -0.001 0.000 0.203 186 R C -0.734 175.600 176.300 0.056 0.000 1.017 186 R CA 0.598 56.700 56.100 0.004 0.000 1.010 186 R CB 0.048 30.373 30.300 0.042 0.000 0.900 186 R HN 0.266 nan 8.270 nan 0.000 0.469 187 D N 1.417 121.864 120.400 0.078 0.000 2.414 187 D HA 0.180 4.819 4.640 -0.001 0.000 0.232 187 D C -2.016 174.231 176.300 -0.087 0.000 1.070 187 D CA -2.218 51.832 54.000 0.084 0.000 0.839 187 D CB 2.048 43.023 40.800 0.292 0.000 1.079 187 D HN -0.189 nan 8.370 nan 0.000 0.521 188 P HA -0.162 nan 4.420 nan 0.000 0.216 188 P C 0.877 177.868 177.300 -0.515 0.000 1.150 188 P CA 1.181 64.098 63.100 -0.306 0.000 0.843 188 P CB 0.477 32.172 31.700 -0.008 0.000 0.787 189 E N -0.539 119.359 120.200 -0.503 0.000 2.331 189 E HA -0.182 4.167 4.350 -0.001 0.000 0.199 189 E C 1.759 178.122 176.600 -0.395 0.000 1.008 189 E CA 0.793 56.818 56.400 -0.626 0.000 0.843 189 E CB -0.688 28.152 29.700 -1.434 0.000 0.761 189 E HN 0.339 nan 8.360 nan 0.000 0.507 190 E N 0.071 120.130 120.200 -0.236 0.000 2.347 190 E HA -0.081 4.269 4.350 -0.001 0.000 0.196 190 E C 1.974 178.575 176.600 0.002 0.000 1.008 190 E CA 0.289 56.735 56.400 0.077 0.000 0.852 190 E CB -0.017 29.838 29.700 0.259 0.000 0.783 190 E HN 0.187 nan 8.360 nan 0.000 0.505 191 V N 0.100 119.873 119.914 -0.234 0.000 2.515 191 V HA -0.185 3.935 4.120 -0.001 0.000 0.250 191 V C 1.769 177.761 176.094 -0.171 0.000 1.058 191 V CA 1.254 63.396 62.300 -0.264 0.000 1.064 191 V CB -0.442 31.072 31.823 -0.516 0.000 0.675 191 V HN 0.188 nan 8.190 nan 0.000 0.461 192 F N 0.117 120.068 119.950 0.003 0.000 2.234 192 F HA -0.098 4.428 4.527 -0.001 0.000 0.299 192 F C 2.539 178.385 175.800 0.077 0.000 1.087 192 F CA 1.294 59.355 58.000 0.100 0.000 1.340 192 F CB -0.253 38.943 39.000 0.328 0.000 1.031 192 F HN 0.097 nan 8.300 nan 0.000 0.500 193 R N 1.381 122.020 120.500 0.232 0.000 2.159 193 R HA -0.140 4.200 4.340 -0.001 0.000 0.237 193 R C 1.773 177.993 176.300 -0.133 0.000 1.131 193 R CA 1.038 57.210 56.100 0.120 0.000 0.982 193 R CB -0.583 29.791 30.300 0.125 0.000 0.868 193 R HN 0.333 nan 8.270 nan 0.000 0.453 194 L N 0.734 121.789 121.223 -0.280 0.000 2.450 194 L HA -0.105 4.235 4.340 -0.001 0.000 0.224 194 L C 2.016 178.652 176.870 -0.390 0.000 1.149 194 L CA 0.704 55.152 54.840 -0.654 0.000 0.816 194 L CB -0.373 41.338 42.059 -0.579 0.000 0.932 194 L HN 0.228 nan 8.230 nan 0.000 0.449 195 V N -3.854 115.990 119.914 -0.116 0.000 2.913 195 V HA -0.126 3.993 4.120 -0.001 0.000 0.260 195 V C 2.020 178.156 176.094 0.069 0.000 1.098 195 V CA 1.393 63.710 62.300 0.029 0.000 1.121 195 V CB -0.741 31.007 31.823 -0.125 0.000 0.714 195 V HN 0.403 nan 8.190 nan 0.000 0.487 196 N N 0.990 119.686 118.700 -0.006 0.000 2.205 196 N HA -0.104 4.636 4.740 -0.001 0.000 0.186 196 N C 1.358 176.835 175.510 -0.055 0.000 1.015 196 N CA 1.537 54.667 53.050 0.133 0.000 0.862 196 N CB -0.594 38.032 38.487 0.232 0.000 0.986 196 N HN 0.549 nan 8.380 nan 0.000 0.429 197 F N -0.872 118.802 119.950 -0.459 0.000 2.408 197 F HA -0.062 4.464 4.527 -0.001 0.000 0.300 197 F C 1.192 176.235 175.800 -1.262 0.000 1.090 197 F CA -0.002 57.394 58.000 -1.006 0.000 1.427 197 F CB -0.467 37.574 39.000 -1.597 0.000 1.070 197 F HN 0.205 nan 8.300 nan 0.000 0.549 198 W N -0.118 121.064 121.300 -0.197 0.000 2.693 198 W HA 0.422 5.082 4.660 -0.000 0.000 0.415 198 W C 1.310 177.694 176.519 -0.225 0.000 0.932 198 W CA 0.348 57.533 57.345 -0.268 0.000 2.200 198 W CB -0.195 29.086 29.460 -0.299 0.000 1.188 198 W HN 0.184 nan 8.180 nan 0.000 0.665 199 G N 1.290 109.946 108.800 -0.240 0.000 2.155 199 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.257 199 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.257 199 G C 0.276 175.285 174.900 0.182 0.000 0.983 199 G CA 0.323 45.275 45.100 -0.247 0.000 0.676 199 G HN 0.404 nan 8.290 nan 0.000 0.528 200 A N -0.210 122.743 122.820 0.223 0.000 2.312 200 A HA 0.873 5.192 4.320 -0.001 0.000 0.328 200 A C 0.582 178.352 177.584 0.311 0.000 1.158 200 A CA -0.605 51.587 52.037 0.258 0.000 0.821 200 A CB 0.919 20.013 19.000 0.156 0.000 1.170 200 A HN 0.279 nan 8.150 nan 0.000 0.490 201 R N 0.617 121.221 120.500 0.174 0.000 2.532 201 R HA 0.440 4.780 4.340 -0.001 0.000 0.272 201 R C 0.935 177.348 176.300 0.188 0.000 1.032 201 R CA 0.382 56.483 56.100 0.002 0.000 1.089 201 R CB 1.235 31.202 30.300 -0.554 0.000 1.098 201 R HN 0.909 nan 8.270 nan 0.000 0.526 202 S N -1.752 114.072 115.700 0.206 0.000 2.593 202 S HA 0.091 4.560 4.470 -0.001 0.000 0.235 202 S C 0.491 175.305 174.600 0.357 0.000 1.059 202 S CA 0.039 58.481 58.200 0.403 0.000 0.953 202 S CB 0.662 64.142 63.200 0.467 0.000 0.897 202 S HN 0.629 nan 8.310 nan 0.000 0.507 203 T N -0.734 113.940 114.554 0.200 0.000 2.977 203 T HA 0.513 4.863 4.350 -0.001 0.000 0.345 203 T C 0.515 175.279 174.700 0.106 0.000 1.562 203 T CA 0.099 62.303 62.100 0.174 0.000 1.090 203 T CB 0.968 70.016 68.868 0.300 0.000 1.383 203 T HN 0.194 nan 8.240 nan 0.000 0.484 204 G N 1.530 110.425 108.800 0.158 0.000 2.623 204 G HA2 0.400 4.360 3.960 -0.001 0.000 0.214 204 G HA3 0.400 4.360 3.960 -0.001 0.000 0.214 204 G C 0.644 175.688 174.900 0.242 0.000 1.138 204 G CA 0.850 46.073 45.100 0.204 0.000 0.794 204 G HN 1.363 nan 8.290 nan 0.000 0.535 205 S N -1.912 113.926 115.700 0.229 0.000 2.843 205 S HA 0.250 4.719 4.470 -0.001 0.000 0.301 205 S C 0.616 175.281 174.600 0.108 0.000 1.206 205 S CA -0.155 58.154 58.200 0.182 0.000 0.875 205 S CB 0.673 64.008 63.200 0.226 0.000 1.248 205 S HN -0.044 nan 8.310 nan 0.000 0.555 206 N N 0.295 119.029 118.700 0.057 0.000 2.453 206 N HA -0.044 4.696 4.740 -0.001 0.000 0.183 206 N C -0.201 175.218 175.510 -0.151 0.000 1.041 206 N CA 0.927 53.947 53.050 -0.049 0.000 0.900 206 N CB -0.231 38.262 38.487 0.010 0.000 0.961 206 N HN 0.678 nan 8.380 nan 0.000 0.443 207 T N 1.223 115.781 114.554 0.007 0.000 2.834 207 T HA 0.047 4.396 4.350 -0.001 0.000 0.298 207 T C -0.272 174.514 174.700 0.143 0.000 0.966 207 T CA -0.297 61.832 62.100 0.047 0.000 1.141 207 T CB 0.194 69.181 68.868 0.198 0.000 0.905 207 T HN 0.119 nan 8.240 nan 0.000 0.535 208 W N 3.444 124.882 121.300 0.229 0.000 2.231 208 W HA 0.141 4.801 4.660 -0.000 0.000 0.341 208 W C 1.122 177.757 176.519 0.193 0.000 1.298 208 W CA -0.886 56.594 57.345 0.226 0.000 1.266 208 W CB -0.201 29.397 29.460 0.230 0.000 1.172 208 W HN 0.684 nan 8.180 nan 0.000 0.568 209 M N 1.828 121.705 119.600 0.463 0.000 2.175 209 M HA -0.279 4.200 4.480 -0.001 0.000 0.192 209 M C -0.683 175.791 176.300 0.290 0.000 0.473 209 M CA 0.633 56.057 55.300 0.208 0.000 0.414 209 M CB -1.273 31.291 32.600 -0.060 0.000 1.069 209 M HN 0.382 nan 8.290 nan 0.000 0.933 210 D N -0.340 120.198 120.400 0.230 0.000 2.332 210 D HA 0.594 5.234 4.640 -0.001 0.000 0.252 210 D C -0.134 176.160 176.300 -0.010 0.000 1.050 210 D CA -0.249 53.894 54.000 0.238 0.000 0.970 210 D CB 0.738 41.760 40.800 0.370 0.000 1.141 210 D HN 0.111 nan 8.370 nan 0.000 0.485 211 F N 0.822 120.815 119.950 0.071 0.000 2.435 211 F HA 0.286 4.812 4.527 -0.001 0.000 0.316 211 F C 0.369 175.965 175.800 -0.339 0.000 1.220 211 F CA -0.076 57.798 58.000 -0.210 0.000 1.241 211 F CB 0.205 38.955 39.000 -0.417 0.000 1.234 211 F HN 0.266 nan 8.300 nan 0.000 0.569 212 Y N -2.410 117.694 120.300 -0.328 0.000 2.644 212 Y HA 0.799 5.349 4.550 -0.001 0.000 0.338 212 Y C -1.772 173.889 175.900 -0.398 0.000 1.119 212 Y CA -1.945 55.944 58.100 -0.351 0.000 1.060 212 Y CB 0.608 38.984 38.460 -0.140 0.000 1.294 212 Y HN 0.293 nan 8.280 nan 0.000 0.472 213 V N 1.416 121.192 119.914 -0.230 0.000 2.555 213 V HA 0.514 4.634 4.120 -0.001 0.000 0.302 213 V C -0.889 175.133 176.094 -0.121 0.000 1.038 213 V CA -0.811 61.276 62.300 -0.356 0.000 0.887 213 V CB 1.514 33.113 31.823 -0.372 0.000 0.991 213 V HN 0.842 nan 8.190 nan 0.000 0.434 214 E N 4.335 124.429 120.200 -0.178 0.000 2.283 214 E HA 0.277 4.627 4.350 -0.001 0.000 0.258 214 E C -0.094 176.484 176.600 -0.037 0.000 0.893 214 E CA -0.492 55.894 56.400 -0.024 0.000 0.798 214 E CB 0.704 30.428 29.700 0.039 0.000 1.242 214 E HN 0.742 nan 8.360 nan 0.000 0.414 215 N N 3.856 122.561 118.700 0.008 0.000 2.696 215 N HA -0.227 4.513 4.740 -0.001 0.000 0.256 215 N C 0.542 176.062 175.510 0.017 0.000 1.031 215 N CA 1.524 54.590 53.050 0.026 0.000 0.730 215 N CB -1.195 37.311 38.487 0.031 0.000 0.894 215 N HN 1.045 nan 8.380 nan 0.000 0.544 216 G N -0.140 108.674 108.800 0.023 0.000 2.205 216 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.269 216 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.269 216 G C 0.050 174.894 174.900 -0.093 0.000 0.977 216 G CA 1.271 46.422 45.100 0.085 0.000 0.652 216 G HN 0.822 nan 8.290 nan 0.000 0.539 217 K N 0.448 120.734 120.400 -0.191 0.000 2.206 217 K HA 0.611 4.930 4.320 -0.001 0.000 0.264 217 K C 0.344 176.709 176.600 -0.391 0.000 0.967 217 K CA -1.220 54.932 56.287 -0.225 0.000 0.844 217 K CB 0.540 32.971 32.500 -0.116 0.000 1.099 217 K HN -0.027 nan 8.250 nan 0.000 0.441 218 I N 4.488 124.806 120.570 -0.419 0.000 2.496 218 I HA 0.136 4.305 4.170 -0.001 0.000 0.285 218 I C -0.036 175.875 176.117 -0.342 0.000 1.080 218 I CA 0.186 61.197 61.300 -0.481 0.000 1.404 218 I CB 0.881 38.613 38.000 -0.446 0.000 1.403 218 I HN 0.694 nan 8.210 nan 0.000 0.539 219 K N 4.956 125.094 120.400 -0.436 0.000 2.508 219 K HA 0.389 4.709 4.320 -0.001 0.000 0.260 219 K C -0.836 175.711 176.600 -0.087 0.000 0.949 219 K CA -0.851 55.267 56.287 -0.280 0.000 0.834 219 K CB 2.614 34.798 32.500 -0.527 0.000 1.365 219 K HN 0.462 nan 8.250 nan 0.000 0.437 220 H N 2.668 121.849 119.070 0.185 0.000 2.481 220 H HA 0.200 4.755 4.556 -0.000 0.000 0.333 220 H C -2.185 173.345 175.328 0.336 0.000 1.066 220 H CA -2.168 54.026 56.048 0.242 0.000 1.209 220 H CB 1.906 31.852 29.762 0.307 0.000 1.445 220 H HN 0.247 nan 8.280 nan 0.000 0.488 221 P HA -0.187 nan 4.420 nan 0.000 0.216 221 P C 1.124 178.546 177.300 0.203 0.000 1.157 221 P CA 1.522 64.785 63.100 0.272 0.000 0.880 221 P CB -0.083 31.724 31.700 0.178 0.000 0.791 222 F N -1.569 118.339 119.950 -0.069 0.000 2.699 222 F HA 0.018 4.544 4.527 -0.001 0.000 0.298 222 F C 2.121 177.968 175.800 0.078 0.000 1.154 222 F CA 0.352 58.104 58.000 -0.412 0.000 1.457 222 F CB -0.168 38.629 39.000 -0.338 0.000 1.106 222 F HN -0.064 nan 8.300 nan 0.000 0.585 223 A N -1.316 121.710 122.820 0.343 0.000 2.252 223 A HA 0.106 4.425 4.320 -0.001 0.000 0.213 223 A C 0.778 178.675 177.584 0.521 0.000 1.188 223 A CA -0.033 52.146 52.037 0.237 0.000 0.863 223 A CB -0.027 18.919 19.000 -0.091 0.000 0.893 223 A HN -0.044 nan 8.150 nan 0.000 0.495 224 E N 0.128 120.636 120.200 0.514 0.000 2.354 224 E HA 0.183 4.532 4.350 -0.001 0.000 0.269 224 E C 1.076 177.922 176.600 0.410 0.000 1.036 224 E CA -0.169 56.503 56.400 0.455 0.000 0.876 224 E CB 1.401 31.333 29.700 0.387 0.000 1.009 224 E HN 0.033 nan 8.360 nan 0.000 0.416 225 V N 2.512 122.571 119.914 0.241 0.000 2.490 225 V HA -0.284 3.836 4.120 -0.001 0.000 0.250 225 V C 2.102 178.100 176.094 -0.159 0.000 1.061 225 V CA 2.245 64.488 62.300 -0.096 0.000 1.064 225 V CB -0.696 31.094 31.823 -0.055 0.000 0.670 225 V HN 0.767 nan 8.190 nan 0.000 0.461 226 A N -0.642 122.193 122.820 0.025 0.000 1.972 226 A HA -0.224 4.096 4.320 -0.001 0.000 0.219 226 A C 2.083 179.662 177.584 -0.007 0.000 1.169 226 A CA 1.803 53.854 52.037 0.023 0.000 0.635 226 A CB -0.653 18.423 19.000 0.126 0.000 0.810 226 A HN 0.544 nan 8.150 nan 0.000 0.446 227 F N 0.553 120.458 119.950 -0.074 0.000 2.186 227 F HA -0.093 4.433 4.527 -0.001 0.000 0.299 227 F C 2.223 177.838 175.800 -0.309 0.000 1.090 227 F CA 2.022 59.948 58.000 -0.123 0.000 1.307 227 F CB -0.047 38.935 39.000 -0.030 0.000 1.019 227 F HN 0.211 nan 8.300 nan 0.000 0.489 228 K N 0.336 120.480 120.400 -0.428 0.000 2.009 228 K HA -0.217 4.103 4.320 -0.001 0.000 0.210 228 K C 1.692 177.886 176.600 -0.677 0.000 1.049 228 K CA 2.177 57.963 56.287 -0.836 0.000 0.929 228 K CB -0.425 31.180 32.500 -1.491 0.000 0.714 228 K HN 0.239 nan 8.250 nan 0.000 0.440 229 D N -0.291 119.800 120.400 -0.515 0.000 2.117 229 D HA -0.117 4.523 4.640 -0.001 0.000 0.197 229 D C 1.932 177.987 176.300 -0.409 0.000 0.987 229 D CA 1.495 55.246 54.000 -0.414 0.000 0.829 229 D CB -0.457 40.190 40.800 -0.255 0.000 0.961 229 D HN 0.519 nan 8.370 nan 0.000 0.460 230 G N 0.926 109.515 108.800 -0.351 0.000 2.408 230 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.217 230 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.217 230 G C 1.615 176.184 174.900 -0.551 0.000 1.150 230 G CA 0.100 45.004 45.100 -0.328 0.000 0.776 230 G HN 0.201 nan 8.290 nan 0.000 0.542 231 I N 0.399 120.543 120.570 -0.710 0.000 2.830 231 I HA 0.076 4.246 4.170 -0.001 0.000 0.263 231 I C 2.430 178.238 176.117 -0.515 0.000 1.230 231 I CA 0.727 61.642 61.300 -0.641 0.000 1.480 231 I CB -0.048 37.526 38.000 -0.710 0.000 1.095 231 I HN 0.049 nan 8.210 nan 0.000 0.455 232 K N -0.757 119.284 120.400 -0.597 0.000 2.097 232 K HA -0.136 4.184 4.320 -0.001 0.000 0.205 232 K C 2.030 178.243 176.600 -0.645 0.000 1.050 232 K CA 1.028 56.970 56.287 -0.576 0.000 0.938 232 K CB -0.267 31.849 32.500 -0.640 0.000 0.718 232 K HN 0.440 nan 8.250 nan 0.000 0.442 233 H N 0.157 118.736 119.070 -0.818 0.000 2.357 233 H HA -0.054 4.502 4.556 -0.000 0.000 0.301 233 H C 2.295 177.054 175.328 -0.948 0.000 1.082 233 H CA 1.184 56.540 56.048 -1.153 0.000 1.342 233 H CB -0.113 28.146 29.762 -2.503 0.000 1.389 233 H HN -0.071 nan 8.280 nan 0.000 0.511 234 V N 1.330 120.830 119.914 -0.690 0.000 2.332 234 V HA -0.257 3.863 4.120 -0.001 0.000 0.248 234 V C 2.848 178.890 176.094 -0.088 0.000 1.055 234 V CA 1.565 63.651 62.300 -0.357 0.000 1.038 234 V CB -1.037 30.645 31.823 -0.236 0.000 0.651 234 V HN 0.449 nan 8.190 nan 0.000 0.450 235 A N -0.365 122.380 122.820 -0.125 0.000 1.933 235 A HA -0.309 4.011 4.320 -0.001 0.000 0.218 235 A C 2.190 179.833 177.584 0.099 0.000 1.175 235 A CA 2.211 54.250 52.037 0.005 0.000 0.628 235 A CB -0.546 18.410 19.000 -0.072 0.000 0.814 235 A HN 0.550 nan 8.150 nan 0.000 0.444 236 Q N -1.070 118.742 119.800 0.019 0.000 2.050 236 Q HA -0.188 4.151 4.340 -0.001 0.000 0.202 236 Q C 1.673 177.879 176.000 0.343 0.000 0.980 236 Q CA 2.082 57.960 55.803 0.125 0.000 0.840 236 Q CB -0.493 28.277 28.738 0.054 0.000 0.898 236 Q HN 0.716 nan 8.270 nan 0.000 0.424 237 W N -0.495 120.865 121.300 0.101 0.000 2.363 237 W HA -0.122 4.538 4.660 -0.001 0.000 0.296 237 W C 2.188 178.806 176.519 0.164 0.000 1.212 237 W CA 1.019 58.472 57.345 0.181 0.000 1.260 237 W CB -1.235 28.356 29.460 0.219 0.000 1.131 237 W HN 0.335 nan 8.180 nan 0.000 0.530 238 Y N 1.330 121.801 120.300 0.286 0.000 2.200 238 Y HA -0.226 4.323 4.550 -0.001 0.000 0.290 238 Y C 2.583 178.572 175.900 0.149 0.000 1.137 238 Y CA 2.547 60.763 58.100 0.194 0.000 1.163 238 Y CB -0.475 38.079 38.460 0.157 0.000 0.988 238 Y HN -0.097 nan 8.280 nan 0.000 0.518 239 K N 0.452 121.019 120.400 0.279 0.000 2.097 239 K HA -0.187 4.132 4.320 -0.001 0.000 0.206 239 K C 1.492 178.133 176.600 0.070 0.000 1.049 239 K CA 1.876 58.261 56.287 0.165 0.000 0.933 239 K CB -0.147 32.449 32.500 0.160 0.000 0.717 239 K HN 0.459 nan 8.250 nan 0.000 0.442 240 E N -0.966 119.292 120.200 0.097 0.000 2.511 240 E HA 0.003 4.353 4.350 -0.001 0.000 0.196 240 E C 0.689 177.282 176.600 -0.012 0.000 1.066 240 E CA 0.406 56.836 56.400 0.048 0.000 0.871 240 E CB 0.280 30.029 29.700 0.083 0.000 0.863 240 E HN 0.622 nan 8.360 nan 0.000 0.520 241 G N 1.111 109.883 108.800 -0.047 0.000 2.159 241 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.256 241 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.256 241 G C 0.871 175.756 174.900 -0.025 0.000 0.977 241 G CA 0.298 45.350 45.100 -0.081 0.000 0.652 241 G HN 0.285 nan 8.290 nan 0.000 0.531 242 L N -0.504 120.730 121.223 0.020 0.000 2.291 242 L HA 0.289 4.628 4.340 -0.001 0.000 0.214 242 L C 1.445 178.438 176.870 0.206 0.000 1.120 242 L CA 0.798 55.673 54.840 0.058 0.000 0.799 242 L CB -0.131 41.891 42.059 -0.061 0.000 0.925 242 L HN 0.302 nan 8.230 nan 0.000 0.446 243 I N -0.258 120.438 120.570 0.209 0.000 2.441 243 I HA 0.114 4.284 4.170 -0.001 0.000 0.295 243 I C -0.019 176.173 176.117 0.124 0.000 0.994 243 I CA -0.872 60.604 61.300 0.294 0.000 1.144 243 I CB 1.686 39.911 38.000 0.376 0.000 1.314 243 I HN -0.130 nan 8.210 nan 0.000 0.445 244 D N 8.768 129.257 120.400 0.147 0.000 2.662 244 D HA -0.063 4.576 4.640 -0.001 0.000 0.233 244 D C -1.401 174.924 176.300 0.041 0.000 1.129 244 D CA -1.098 52.933 54.000 0.052 0.000 0.851 244 D CB 0.995 41.808 40.800 0.022 0.000 1.152 244 D HN 0.253 nan 8.370 nan 0.000 0.507 245 P HA -0.121 nan 4.420 nan 0.000 0.222 245 P C 0.210 177.634 177.300 0.207 0.000 1.147 245 P CA 0.954 64.035 63.100 -0.031 0.000 0.790 245 P CB 0.267 31.918 31.700 -0.083 0.000 0.780 246 E N -0.958 119.319 120.200 0.129 0.000 2.394 246 E HA 0.076 4.426 4.350 -0.001 0.000 0.191 246 E C 1.442 178.106 176.600 0.108 0.000 1.044 246 E CA -0.424 56.057 56.400 0.135 0.000 0.939 246 E CB -0.486 29.258 29.700 0.073 0.000 1.089 246 E HN 0.074 nan 8.360 nan 0.000 0.456 247 I N -0.035 120.590 120.570 0.092 0.000 2.399 247 I HA -0.282 3.888 4.170 -0.001 0.000 0.254 247 I C 1.120 177.109 176.117 -0.213 0.000 1.146 247 I CA 1.610 62.852 61.300 -0.098 0.000 1.412 247 I CB 0.003 37.889 38.000 -0.191 0.000 1.076 247 I HN 0.119 nan 8.210 nan 0.000 0.432 248 F N -0.671 119.308 119.950 0.048 0.000 2.743 248 F HA 0.024 4.551 4.527 -0.000 0.000 0.297 248 F C 2.191 178.024 175.800 0.055 0.000 1.131 248 F CA 0.977 58.997 58.000 0.033 0.000 1.426 248 F CB -0.308 38.704 39.000 0.021 0.000 1.116 248 F HN 0.201 nan 8.300 nan 0.000 0.583 249 T N -3.866 110.804 114.554 0.194 0.000 2.989 249 T HA 0.131 4.481 4.350 -0.001 0.000 0.250 249 T C 1.901 176.646 174.700 0.075 0.000 0.981 249 T CA -0.204 61.974 62.100 0.130 0.000 0.980 249 T CB -0.095 68.846 68.868 0.123 0.000 1.133 249 T HN 0.021 nan 8.240 nan 0.000 0.489 250 R N 1.638 122.169 120.500 0.052 0.000 2.097 250 R HA -0.084 4.255 4.340 -0.001 0.000 0.236 250 R C 0.590 176.901 176.300 0.019 0.000 1.135 250 R CA 1.834 57.946 56.100 0.021 0.000 0.934 250 R CB -0.227 30.066 30.300 -0.011 0.000 0.846 250 R HN 0.437 nan 8.270 nan 0.000 0.431 251 K N -3.889 116.520 120.400 0.015 0.000 1.968 251 K HA -0.306 4.014 4.320 -0.001 0.000 0.393 251 K C 1.056 177.673 176.600 0.028 0.000 1.775 251 K CA 0.727 57.031 56.287 0.028 0.000 0.654 251 K CB -1.604 30.925 32.500 0.048 0.000 1.066 251 K HN 0.270 nan 8.250 nan 0.000 0.701 252 A N 0.902 123.751 122.820 0.049 0.000 1.923 252 A HA -0.293 4.027 4.320 -0.001 0.000 0.222 252 A C 1.694 179.308 177.584 0.050 0.000 1.258 252 A CA 2.702 54.774 52.037 0.058 0.000 0.670 252 A CB -0.606 18.429 19.000 0.059 0.000 0.834 252 A HN 0.472 nan 8.150 nan 0.000 0.470 253 R N -0.579 119.942 120.500 0.034 0.000 2.515 253 R HA 0.267 4.607 4.340 -0.001 0.000 0.294 253 R C 1.612 177.905 176.300 -0.011 0.000 1.021 253 R CA 0.412 56.533 56.100 0.035 0.000 1.081 253 R CB 0.061 30.385 30.300 0.040 0.000 1.263 253 R HN 0.492 nan 8.270 nan 0.000 0.557 254 S N 1.299 116.970 115.700 -0.049 0.000 2.374 254 S HA -0.187 4.283 4.470 -0.001 0.000 0.227 254 S C 1.776 176.228 174.600 -0.246 0.000 1.037 254 S CA 1.369 59.490 58.200 -0.132 0.000 1.024 254 S CB -0.026 63.084 63.200 -0.150 0.000 0.861 254 S HN 0.415 nan 8.310 nan 0.000 0.456 255 R N 0.708 121.053 120.500 -0.259 0.000 2.081 255 R HA -0.079 4.261 4.340 -0.001 0.000 0.235 255 R C 2.338 178.460 176.300 -0.297 0.000 1.131 255 R CA 1.425 57.247 56.100 -0.463 0.000 0.960 255 R CB -0.265 29.701 30.300 -0.556 0.000 0.856 255 R HN 0.356 nan 8.270 nan 0.000 0.436 256 E N 0.626 120.822 120.200 -0.006 0.000 2.077 256 E HA -0.174 4.175 4.350 -0.001 0.000 0.193 256 E C 2.059 178.688 176.600 0.049 0.000 0.989 256 E CA 1.204 57.710 56.400 0.177 0.000 0.800 256 E CB 0.004 29.820 29.700 0.193 0.000 0.746 256 E HN 0.338 nan 8.360 nan 0.000 0.452 257 Q N -0.347 119.438 119.800 -0.024 0.000 2.016 257 Q HA -0.123 4.217 4.340 -0.001 0.000 0.200 257 Q C 2.415 178.373 176.000 -0.071 0.000 0.978 257 Q CA 2.020 57.801 55.803 -0.037 0.000 0.833 257 Q CB -0.249 28.461 28.738 -0.046 0.000 0.895 257 Q HN 0.477 nan 8.270 nan 0.000 0.427 258 T N -1.781 112.662 114.554 -0.184 0.000 2.851 258 T HA -0.031 4.318 4.350 -0.001 0.000 0.262 258 T C 1.709 176.316 174.700 -0.156 0.000 1.043 258 T CA 0.698 62.664 62.100 -0.224 0.000 1.140 258 T CB -0.571 68.061 68.868 -0.393 0.000 0.872 258 T HN 0.169 nan 8.240 nan 0.000 0.446 259 F N 1.856 121.748 119.950 -0.097 0.000 2.206 259 F HA 0.204 4.731 4.527 0.000 0.000 0.298 259 F C 2.984 178.755 175.800 -0.049 0.000 1.090 259 F CA 0.387 58.355 58.000 -0.054 0.000 1.323 259 F CB -0.574 38.348 39.000 -0.130 0.000 1.028 259 F HN 0.327 nan 8.300 nan 0.000 0.492 260 G N 0.255 109.128 108.800 0.122 0.000 2.440 260 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.218 260 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.218 260 G C 1.257 176.188 174.900 0.051 0.000 1.154 260 G CA 0.957 46.095 45.100 0.063 0.000 0.767 260 G HN 0.230 nan 8.290 nan 0.000 0.552 261 N N 0.830 119.564 118.700 0.056 0.000 2.383 261 N HA -0.009 4.731 4.740 -0.001 0.000 0.192 261 N C 0.733 176.311 175.510 0.112 0.000 1.141 261 N CA 0.216 53.304 53.050 0.063 0.000 0.851 261 N CB -0.138 38.373 38.487 0.041 0.000 0.976 261 N HN 0.275 nan 8.380 nan 0.000 0.465 262 N N 0.458 119.256 118.700 0.163 0.000 2.740 262 N HA -0.183 4.557 4.740 -0.001 0.000 0.248 262 N C 0.321 176.054 175.510 0.371 0.000 1.062 262 N CA 0.563 53.779 53.050 0.277 0.000 0.704 262 N CB -1.290 37.358 38.487 0.267 0.000 0.968 262 N HN 0.587 nan 8.380 nan 0.000 0.547 263 I N -4.930 115.808 120.570 0.280 0.000 4.456 263 I HA 0.452 4.622 4.170 -0.001 0.000 0.329 263 I C 1.104 177.412 176.117 0.318 0.000 1.313 263 I CA -0.092 61.401 61.300 0.321 0.000 1.205 263 I CB 0.474 38.557 38.000 0.139 0.000 1.179 263 I HN 0.120 nan 8.210 nan 0.000 0.419 264 G N 1.037 109.896 108.800 0.097 0.000 2.370 264 G HA2 0.463 4.422 3.960 -0.001 0.000 0.272 264 G HA3 0.463 4.422 3.960 -0.001 0.000 0.272 264 G C 0.590 175.486 174.900 -0.006 0.000 1.208 264 G CA 0.099 45.151 45.100 -0.081 0.000 0.856 264 G HN 0.315 nan 8.290 nan 0.000 0.500 265 G N 0.775 109.650 108.800 0.124 0.000 2.944 265 G HA2 0.394 4.354 3.960 -0.001 0.000 0.220 265 G HA3 0.394 4.354 3.960 -0.001 0.000 0.220 265 G C 0.214 175.284 174.900 0.284 0.000 1.100 265 G CA 0.103 45.227 45.100 0.040 0.000 0.780 265 G HN 0.607 nan 8.290 nan 0.000 0.539 266 M N -0.308 119.497 119.600 0.341 0.000 2.694 266 M HA 0.522 5.001 4.480 -0.001 0.000 0.276 266 M C -2.015 174.386 176.300 0.167 0.000 1.167 266 M CA -0.352 55.176 55.300 0.381 0.000 0.849 266 M CB 2.022 34.944 32.600 0.537 0.000 1.705 266 M HN 0.020 nan 8.290 nan 0.000 0.504 267 T N 0.156 114.854 114.554 0.239 0.000 2.711 267 T HA 0.441 4.790 4.350 -0.001 0.000 0.302 267 T C -2.344 172.562 174.700 0.343 0.000 1.373 267 T CA -0.434 61.648 62.100 -0.030 0.000 1.000 267 T CB 1.639 70.490 68.868 -0.028 0.000 1.483 267 T HN 0.823 nan 8.240 nan 0.000 0.499 268 H N 1.994 121.140 119.070 0.127 0.000 3.013 268 H HA 0.537 5.093 4.556 -0.000 0.000 0.326 268 H C -1.681 173.656 175.328 0.016 0.000 0.973 268 H CA -0.407 55.670 56.048 0.049 0.000 1.369 268 H CB 1.226 31.003 29.762 0.026 0.000 1.598 268 H HN 0.641 nan 8.280 nan 0.000 0.518 269 D N 3.222 123.461 120.400 -0.270 0.000 2.713 269 D HA 0.064 4.704 4.640 -0.001 0.000 0.306 269 D C -0.862 175.306 176.300 -0.220 0.000 1.299 269 D CA -0.494 53.413 54.000 -0.155 0.000 0.823 269 D CB 1.165 41.957 40.800 -0.013 0.000 1.353 269 D HN 0.327 nan 8.370 nan 0.000 0.447 270 W N 1.542 122.786 121.300 -0.092 0.000 2.264 270 W HA 0.147 4.806 4.660 -0.001 0.000 0.331 270 W C 1.444 177.979 176.519 0.027 0.000 1.364 270 W CA -0.154 57.195 57.345 0.007 0.000 1.253 270 W CB -0.150 29.361 29.460 0.085 0.000 1.215 270 W HN 0.336 nan 8.180 nan 0.000 0.561 271 F N 2.521 122.644 119.950 0.288 0.000 2.065 271 F HA -0.334 4.193 4.527 0.000 0.000 0.298 271 F C 2.371 178.332 175.800 0.268 0.000 1.112 271 F CA 2.353 60.561 58.000 0.347 0.000 1.212 271 F CB -1.202 37.918 39.000 0.200 0.000 0.975 271 F HN 0.510 nan 8.300 nan 0.000 0.476 272 A N -0.017 123.063 122.820 0.432 0.000 1.865 272 A HA -0.248 4.072 4.320 -0.001 0.000 0.217 272 A C 2.350 180.056 177.584 0.203 0.000 1.191 272 A CA 2.618 54.823 52.037 0.280 0.000 0.623 272 A CB -1.358 17.789 19.000 0.245 0.000 0.826 272 A HN 0.441 nan 8.150 nan 0.000 0.444 273 S N -1.326 114.495 115.700 0.202 0.000 2.387 273 S HA -0.114 4.356 4.470 -0.001 0.000 0.226 273 S C 1.828 176.517 174.600 0.148 0.000 1.026 273 S CA 1.786 60.071 58.200 0.141 0.000 0.972 273 S CB -1.054 62.236 63.200 0.150 0.000 0.814 273 S HN 0.490 nan 8.310 nan 0.000 0.477 274 T N 2.688 117.269 114.554 0.046 0.000 2.777 274 T HA 0.167 4.517 4.350 -0.001 0.000 0.266 274 T C 2.200 176.794 174.700 -0.175 0.000 1.040 274 T CA 1.251 63.252 62.100 -0.166 0.000 1.141 274 T CB -0.766 67.576 68.868 -0.878 0.000 0.868 274 T HN 0.613 nan 8.240 nan 0.000 0.444 275 A N 1.238 123.984 122.820 -0.124 0.000 2.019 275 A HA 0.065 4.384 4.320 -0.001 0.000 0.219 275 A C 2.120 179.765 177.584 0.103 0.000 1.164 275 A CA 0.969 53.072 52.037 0.110 0.000 0.644 275 A CB -0.842 18.331 19.000 0.289 0.000 0.805 275 A HN 0.503 nan 8.150 nan 0.000 0.449 276 L N -1.798 119.453 121.223 0.046 0.000 2.551 276 L HA -0.055 4.285 4.340 -0.001 0.000 0.228 276 L C 1.713 178.471 176.870 -0.186 0.000 1.153 276 L CA 0.323 55.127 54.840 -0.060 0.000 0.851 276 L CB -0.387 41.599 42.059 -0.121 0.000 0.959 276 L HN 0.375 nan 8.230 nan 0.000 0.451 277 F N -0.060 119.861 119.950 -0.048 0.000 2.502 277 F HA -0.099 4.428 4.527 -0.001 0.000 0.298 277 F C 2.293 178.056 175.800 -0.062 0.000 1.111 277 F CA 0.735 58.684 58.000 -0.084 0.000 1.445 277 F CB -0.269 38.666 39.000 -0.107 0.000 1.081 277 F HN 0.190 nan 8.300 nan 0.000 0.558 278 N N 0.545 119.357 118.700 0.188 0.000 2.142 278 N HA -0.156 4.584 4.740 -0.001 0.000 0.186 278 N C 1.283 176.829 175.510 0.061 0.000 1.023 278 N CA 1.644 54.824 53.050 0.217 0.000 0.852 278 N CB -0.444 38.157 38.487 0.190 0.000 0.998 278 N HN 0.251 nan 8.380 nan 0.000 0.424 279 D N 1.163 121.564 120.400 0.001 0.000 2.123 279 D HA -0.088 4.551 4.640 -0.001 0.000 0.196 279 D C 1.858 178.109 176.300 -0.081 0.000 0.992 279 D CA 1.207 55.186 54.000 -0.036 0.000 0.833 279 D CB -0.374 40.394 40.800 -0.053 0.000 0.954 279 D HN 0.247 nan 8.370 nan 0.000 0.455 280 A N -0.140 122.592 122.820 -0.148 0.000 1.929 280 A HA -0.035 4.285 4.320 -0.001 0.000 0.216 280 A C 1.761 179.240 177.584 -0.175 0.000 1.176 280 A CA 0.908 52.841 52.037 -0.173 0.000 0.628 280 A CB -0.202 18.644 19.000 -0.256 0.000 0.816 280 A HN 0.148 nan 8.150 nan 0.000 0.444 281 L N 0.304 121.370 121.223 -0.262 0.000 2.616 281 L HA 0.065 4.405 4.340 -0.001 0.000 0.229 281 L C 2.454 179.203 176.870 -0.201 0.000 1.110 281 L CA 1.320 55.921 54.840 -0.398 0.000 0.884 281 L CB -0.350 41.066 42.059 -1.072 0.000 1.115 281 L HN 0.510 nan 8.230 nan 0.000 0.481 282 S N -0.275 115.406 115.700 -0.032 0.000 2.392 282 S HA -0.226 4.244 4.470 -0.001 0.000 0.232 282 S C 1.822 176.457 174.600 0.058 0.000 1.041 282 S CA 1.245 59.497 58.200 0.086 0.000 1.026 282 S CB -0.159 63.088 63.200 0.078 0.000 0.845 282 S HN 0.333 nan 8.310 nan 0.000 0.465 283 K N 1.190 121.597 120.400 0.012 0.000 2.262 283 K HA 0.220 4.540 4.320 -0.001 0.000 0.200 283 K C 2.066 178.671 176.600 0.008 0.000 1.058 283 K CA 0.522 56.819 56.287 0.016 0.000 0.974 283 K CB -1.222 31.280 32.500 0.005 0.000 0.910 283 K HN 0.431 nan 8.250 nan 0.000 0.484 284 N N 1.311 119.998 118.700 -0.022 0.000 2.094 284 N HA -0.133 4.607 4.740 -0.001 0.000 0.191 284 N C -0.102 175.407 175.510 -0.001 0.000 1.023 284 N CA 0.908 53.944 53.050 -0.025 0.000 0.857 284 N CB 0.177 38.629 38.487 -0.060 0.000 1.013 284 N HN 0.136 nan 8.380 nan 0.000 0.426 285 I N 2.030 122.603 120.570 0.005 0.000 2.405 285 I HA 0.287 4.456 4.170 -0.001 0.000 0.280 285 I C -2.447 173.746 176.117 0.126 0.000 1.027 285 I CA -2.041 59.307 61.300 0.079 0.000 1.161 285 I CB 1.897 39.967 38.000 0.116 0.000 1.300 285 I HN -0.134 nan 8.210 nan 0.000 0.463 286 P HA 0.006 nan 4.420 nan 0.000 0.261 286 P C 0.970 178.345 177.300 0.124 0.000 1.183 286 P CA 0.887 64.045 63.100 0.097 0.000 0.761 286 P CB 0.543 32.287 31.700 0.073 0.000 0.785 287 G N 2.899 111.768 108.800 0.114 0.000 2.205 287 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.261 287 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.261 287 G C 0.186 175.150 174.900 0.106 0.000 0.980 287 G CA -0.400 44.760 45.100 0.100 0.000 0.632 287 G HN 0.559 nan 8.290 nan 0.000 0.533 288 F N 2.062 122.007 119.950 -0.008 0.000 2.612 288 F HA 0.456 4.982 4.527 -0.001 0.000 0.389 288 F C 0.422 176.179 175.800 -0.073 0.000 1.055 288 F CA 0.397 58.357 58.000 -0.066 0.000 1.232 288 F CB 0.526 39.489 39.000 -0.061 0.000 1.044 288 F HN -0.071 nan 8.300 nan 0.000 0.560 289 K N 7.760 127.793 120.400 -0.613 0.000 2.716 289 K HA 0.271 4.591 4.320 -0.001 0.000 0.249 289 K C -1.800 174.446 176.600 -0.591 0.000 1.004 289 K CA -0.680 55.378 56.287 -0.383 0.000 0.968 289 K CB 1.620 34.019 32.500 -0.168 0.000 1.214 289 K HN 0.611 nan 8.250 nan 0.000 0.476 290 L N 4.412 125.310 121.223 -0.542 0.000 2.265 290 L HA 0.482 4.821 4.340 -0.001 0.000 0.289 290 L C -0.537 176.353 176.870 0.033 0.000 1.033 290 L CA -0.651 53.951 54.840 -0.397 0.000 0.814 290 L CB 1.273 43.029 42.059 -0.504 0.000 1.203 290 L HN 0.331 nan 8.230 nan 0.000 0.423 291 V N 3.268 123.220 119.914 0.063 0.000 3.001 291 V HA 0.797 4.917 4.120 -0.001 0.000 0.314 291 V C -2.681 173.309 176.094 -0.174 0.000 1.099 291 V CA -2.509 59.829 62.300 0.063 0.000 0.989 291 V CB 1.660 33.489 31.823 0.010 0.000 1.040 291 V HN 0.622 nan 8.190 nan 0.000 0.434 292 P HA 0.319 nan 4.420 nan 0.000 0.269 292 P C -0.731 176.479 177.300 -0.150 0.000 1.209 292 P CA 0.054 62.763 63.100 -0.652 0.000 0.776 292 P CB 0.389 31.913 31.700 -0.295 0.000 0.876 293 M N 2.255 121.851 119.600 -0.006 0.000 2.446 293 M HA 0.643 5.123 4.480 -0.001 0.000 0.294 293 M C -1.078 175.387 176.300 0.275 0.000 1.158 293 M CA -0.937 54.443 55.300 0.133 0.000 0.899 293 M CB 2.127 34.795 32.600 0.114 0.000 1.687 293 M HN 0.333 nan 8.290 nan 0.000 0.455 294 A N 5.419 128.325 122.820 0.144 0.000 2.445 294 A HA 0.596 4.915 4.320 -0.001 0.000 0.242 294 A C -2.557 174.878 177.584 -0.247 0.000 1.075 294 A CA -1.085 50.895 52.037 -0.095 0.000 0.777 294 A CB -0.632 18.282 19.000 -0.142 0.000 1.013 294 A HN 0.558 nan 8.150 nan 0.000 0.493 295 P HA 0.184 nan 4.420 nan 0.000 0.268 295 P C -2.616 174.401 177.300 -0.472 0.000 1.205 295 P CA -1.009 61.860 63.100 -0.384 0.000 0.771 295 P CB -0.002 31.604 31.700 -0.156 0.000 0.858 296 P HA 0.186 nan 4.420 nan 0.000 0.274 296 P C 0.150 177.165 177.300 -0.475 0.000 1.237 296 P CA -0.150 62.642 63.100 -0.514 0.000 0.793 296 P CB 0.759 32.049 31.700 -0.683 0.000 0.977 297 I N 2.250 122.591 120.570 -0.381 0.000 2.598 297 I HA -0.029 4.140 4.170 -0.001 0.000 0.284 297 I C 1.460 177.309 176.117 -0.446 0.000 1.140 297 I CA 0.004 61.097 61.300 -0.346 0.000 1.420 297 I CB -0.165 37.685 38.000 -0.250 0.000 1.387 297 I HN 0.462 nan 8.210 nan 0.000 0.553 298 N N 3.752 122.147 118.700 -0.508 0.000 2.418 298 N HA 0.058 4.798 4.740 -0.001 0.000 0.283 298 N C 0.899 176.121 175.510 -0.481 0.000 1.267 298 N CA -0.324 52.371 53.050 -0.591 0.000 0.975 298 N CB 0.213 38.274 38.487 -0.711 0.000 1.167 298 N HN 0.547 nan 8.380 nan 0.000 0.581 299 S N -1.585 113.827 115.700 -0.479 0.000 2.500 299 S HA -0.095 4.374 4.470 -0.001 0.000 0.239 299 S C 0.800 175.262 174.600 -0.231 0.000 0.989 299 S CA 0.704 58.724 58.200 -0.300 0.000 0.951 299 S CB -0.464 62.620 63.200 -0.193 0.000 0.759 299 S HN 0.619 nan 8.310 nan 0.000 0.523 300 K N 0.612 120.834 120.400 -0.296 0.000 2.397 300 K HA 0.303 4.623 4.320 -0.001 0.000 0.202 300 K C 0.956 177.439 176.600 -0.196 0.000 1.022 300 K CA 0.306 56.467 56.287 -0.209 0.000 1.141 300 K CB 0.278 32.660 32.500 -0.196 0.000 0.857 300 K HN 0.491 nan 8.250 nan 0.000 0.514 301 G N 2.063 110.723 108.800 -0.235 0.000 2.147 301 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.244 301 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.244 301 G C -0.280 174.509 174.900 -0.184 0.000 1.005 301 G CA 0.140 45.130 45.100 -0.183 0.000 0.713 301 G HN 0.384 nan 8.290 nan 0.000 0.515 302 Q N -1.024 118.592 119.800 -0.308 0.000 2.413 302 Q HA 0.632 4.972 4.340 -0.001 0.000 0.276 302 Q C -0.056 175.736 176.000 -0.346 0.000 1.099 302 Q CA -0.969 54.683 55.803 -0.252 0.000 0.814 302 Q CB 1.791 30.426 28.738 -0.171 0.000 1.379 302 Q HN 0.320 nan 8.270 nan 0.000 0.436 303 R N 1.194 121.637 120.500 -0.096 0.000 2.215 303 R HA 0.323 4.663 4.340 -0.001 0.000 0.336 303 R C -1.200 175.216 176.300 0.193 0.000 0.996 303 R CA -0.373 55.665 56.100 -0.103 0.000 0.847 303 R CB 0.786 30.998 30.300 -0.147 0.000 1.127 303 R HN 0.403 nan 8.270 nan 0.000 0.465 304 W N 1.549 122.824 121.300 -0.042 0.000 2.573 304 W HA 0.266 4.925 4.660 -0.001 0.000 0.326 304 W C 0.175 176.777 176.519 0.138 0.000 1.049 304 W CA -0.975 56.400 57.345 0.050 0.000 1.220 304 W CB 1.398 30.888 29.460 0.051 0.000 1.373 304 W HN 0.351 nan 8.180 nan 0.000 0.507 305 E N 1.810 122.232 120.200 0.370 0.000 2.331 305 E HA 0.108 4.458 4.350 -0.001 0.000 0.243 305 E C 0.557 177.301 176.600 0.241 0.000 0.925 305 E CA -0.125 56.501 56.400 0.376 0.000 0.760 305 E CB 0.912 30.864 29.700 0.420 0.000 1.254 305 E HN 0.562 nan 8.360 nan 0.000 0.419 306 E N 2.835 123.161 120.200 0.211 0.000 2.152 306 E HA -0.100 4.250 4.350 -0.001 0.000 0.192 306 E C -0.163 176.499 176.600 0.103 0.000 0.983 306 E CA 0.466 56.921 56.400 0.092 0.000 0.818 306 E CB 0.301 30.059 29.700 0.096 0.000 0.758 306 E HN 0.503 nan 8.360 nan 0.000 0.467 307 D N -0.520 119.972 120.400 0.154 0.000 2.283 307 D HA 0.491 5.131 4.640 -0.001 0.000 0.248 307 D C -1.115 175.200 176.300 0.026 0.000 1.072 307 D CA 0.155 54.198 54.000 0.072 0.000 0.929 307 D CB 1.509 42.329 40.800 0.034 0.000 1.182 307 D HN 0.210 nan 8.370 nan 0.000 0.433 308 A N 2.203 125.012 122.820 -0.018 0.000 2.586 308 A HA 0.547 4.867 4.320 -0.001 0.000 0.290 308 A C -0.816 176.769 177.584 0.002 0.000 1.086 308 A CA -0.843 51.187 52.037 -0.012 0.000 0.665 308 A CB 1.081 20.105 19.000 0.039 0.000 1.279 308 A HN 0.536 nan 8.150 nan 0.000 0.423 309 R N 0.366 120.895 120.500 0.049 0.000 2.594 309 R HA 0.298 4.638 4.340 -0.001 0.000 0.272 309 R C -0.261 176.096 176.300 0.096 0.000 1.074 309 R CA -0.418 55.762 56.100 0.133 0.000 1.105 309 R CB 0.404 30.814 30.300 0.185 0.000 1.008 309 R HN 0.694 nan 8.270 nan 0.000 0.472 310 Q N 2.920 122.777 119.800 0.095 0.000 2.307 310 Q HA 0.191 4.530 4.340 -0.001 0.000 0.261 310 Q C -1.059 174.957 176.000 0.027 0.000 1.051 310 Q CA 0.588 56.428 55.803 0.062 0.000 0.911 310 Q CB 0.265 29.040 28.738 0.061 0.000 1.227 310 Q HN 0.483 nan 8.270 nan 0.000 0.418 311 I N 8.149 128.745 120.570 0.043 0.000 2.439 311 I HA 0.408 4.578 4.170 -0.001 0.000 0.285 311 I C -2.100 174.059 176.117 0.070 0.000 1.021 311 I CA -2.148 59.179 61.300 0.044 0.000 1.091 311 I CB 1.923 39.970 38.000 0.077 0.000 1.242 311 I HN 0.657 nan 8.210 nan 0.000 0.439 312 P HA 0.370 nan 4.420 nan 0.000 0.279 312 P C -0.768 176.539 177.300 0.012 0.000 1.276 312 P CA -0.723 62.401 63.100 0.041 0.000 0.801 312 P CB 1.126 32.889 31.700 0.106 0.000 1.127 313 R N 0.670 121.131 120.500 -0.065 0.000 2.528 313 R HA 0.268 4.607 4.340 -0.001 0.000 0.271 313 R C -1.728 174.638 176.300 0.109 0.000 1.056 313 R CA -1.801 54.277 56.100 -0.037 0.000 1.117 313 R CB -0.087 30.096 30.300 -0.196 0.000 1.085 313 R HN 0.407 nan 8.270 nan 0.000 0.530 314 P HA 0.132 nan 4.420 nan 0.000 0.235 314 P C -1.046 176.306 177.300 0.085 0.000 1.725 314 P CA 0.076 63.239 63.100 0.105 0.000 0.894 314 P CB 0.270 32.000 31.700 0.051 0.000 1.704 315 D N -0.485 120.033 120.400 0.197 0.000 2.477 315 D HA 0.705 5.345 4.640 -0.001 0.000 0.234 315 D C 0.792 177.304 176.300 0.354 0.000 1.048 315 D CA -0.285 53.851 54.000 0.228 0.000 0.959 315 D CB 2.377 43.349 40.800 0.287 0.000 1.408 315 D HN 0.180 nan 8.370 nan 0.000 0.496 316 G N -0.756 108.252 108.800 0.346 0.000 2.356 316 G HA2 0.349 4.308 3.960 -0.001 0.000 0.266 316 G HA3 0.349 4.308 3.960 -0.001 0.000 0.266 316 G C -2.168 172.986 174.900 0.423 0.000 1.312 316 G CA -0.609 44.687 45.100 0.326 0.000 0.922 316 G HN 0.441 nan 8.290 nan 0.000 0.480 317 W N -0.551 120.773 121.300 0.040 0.000 3.031 317 W HA 0.980 5.640 4.660 -0.001 0.000 0.337 317 W C -0.280 176.032 176.519 -0.346 0.000 1.187 317 W CA -2.254 55.029 57.345 -0.104 0.000 1.166 317 W CB 0.943 30.331 29.460 -0.120 0.000 1.437 317 W HN 1.725 nan 8.180 nan 0.000 0.551 318 A N 1.680 124.388 122.820 -0.187 0.000 2.527 318 A HA 0.850 5.170 4.320 -0.001 0.000 0.293 318 A C -1.606 176.052 177.584 0.123 0.000 1.117 318 A CA -1.092 50.816 52.037 -0.215 0.000 0.723 318 A CB 1.376 19.791 19.000 -0.975 0.000 1.313 318 A HN 0.645 nan 8.150 nan 0.000 0.411 319 I N 2.076 122.749 120.570 0.170 0.000 2.315 319 I HA 0.303 4.473 4.170 -0.001 0.000 0.291 319 I C 1.001 177.282 176.117 0.273 0.000 1.006 319 I CA -0.324 61.044 61.300 0.112 0.000 1.265 319 I CB 1.759 39.717 38.000 -0.071 0.000 1.387 319 I HN 0.824 nan 8.210 nan 0.000 0.475 320 T N 2.466 117.153 114.554 0.222 0.000 2.828 320 T HA 0.305 4.655 4.350 -0.001 0.000 0.290 320 T C 1.229 175.939 174.700 0.017 0.000 1.019 320 T CA -0.232 61.931 62.100 0.105 0.000 1.031 320 T CB 1.612 70.476 68.868 -0.007 0.000 1.001 320 T HN 0.652 nan 8.240 nan 0.000 0.531 321 A N 0.663 123.455 122.820 -0.046 0.000 2.067 321 A HA 0.027 4.346 4.320 -0.001 0.000 0.219 321 A C 2.456 180.014 177.584 -0.043 0.000 1.158 321 A CA 1.829 53.846 52.037 -0.033 0.000 0.661 321 A CB -1.370 17.598 19.000 -0.053 0.000 0.801 321 A HN 0.971 nan 8.150 nan 0.000 0.452 322 T N -0.293 114.227 114.554 -0.058 0.000 3.055 322 T HA -0.046 4.304 4.350 -0.001 0.000 0.265 322 T C 0.858 175.530 174.700 -0.048 0.000 1.111 322 T CA 0.219 62.286 62.100 -0.054 0.000 1.118 322 T CB -0.721 68.109 68.868 -0.064 0.000 0.909 322 T HN 0.433 nan 8.240 nan 0.000 0.501 323 N N 2.009 120.681 118.700 -0.047 0.000 2.434 323 N HA -0.018 4.722 4.740 -0.001 0.000 0.268 323 N C 0.783 176.257 175.510 -0.061 0.000 1.256 323 N CA 0.197 53.211 53.050 -0.060 0.000 0.914 323 N CB 0.739 39.181 38.487 -0.075 0.000 1.088 323 N HN 0.233 nan 8.380 nan 0.000 0.478 324 K N 2.268 122.632 120.400 -0.061 0.000 2.487 324 K HA 0.096 4.415 4.320 -0.001 0.000 0.192 324 K C -0.209 176.353 176.600 -0.063 0.000 1.027 324 K CA 0.357 56.611 56.287 -0.055 0.000 1.054 324 K CB 0.258 32.730 32.500 -0.048 0.000 0.824 324 K HN 0.508 nan 8.250 nan 0.000 0.510 325 N N 1.513 120.163 118.700 -0.082 0.000 2.757 325 N HA 0.100 4.840 4.740 -0.001 0.000 0.296 325 N C -2.125 173.310 175.510 -0.124 0.000 1.874 325 N CA -1.010 51.983 53.050 -0.094 0.000 0.885 325 N CB 1.421 39.848 38.487 -0.100 0.000 1.242 325 N HN -0.032 nan 8.380 nan 0.000 0.488 326 P HA -0.110 nan 4.420 nan 0.000 0.215 326 P C 1.550 178.760 177.300 -0.150 0.000 1.153 326 P CA 0.838 63.854 63.100 -0.140 0.000 0.853 326 P CB 0.651 32.296 31.700 -0.090 0.000 0.788 327 V N 0.668 120.520 119.914 -0.103 0.000 2.307 327 V HA -0.201 3.918 4.120 -0.001 0.000 0.245 327 V C 2.587 178.624 176.094 -0.095 0.000 1.045 327 V CA 2.130 64.379 62.300 -0.084 0.000 1.024 327 V CB -1.418 30.374 31.823 -0.051 0.000 0.651 327 V HN 0.058 nan 8.190 nan 0.000 0.449 328 E N 0.105 120.244 120.200 -0.102 0.000 2.110 328 E HA -0.153 4.197 4.350 -0.001 0.000 0.193 328 E C 2.281 178.791 176.600 -0.149 0.000 0.988 328 E CA 1.738 58.077 56.400 -0.102 0.000 0.804 328 E CB -0.574 29.063 29.700 -0.104 0.000 0.745 328 E HN 0.575 nan 8.360 nan 0.000 0.458 329 T N 0.719 115.131 114.554 -0.236 0.000 2.708 329 T HA -0.135 4.214 4.350 -0.001 0.000 0.266 329 T C 1.858 176.227 174.700 -0.552 0.000 1.037 329 T CA 1.026 62.874 62.100 -0.420 0.000 1.146 329 T CB -0.291 68.261 68.868 -0.527 0.000 0.865 329 T HN 0.074 nan 8.240 nan 0.000 0.435 330 I N 1.078 121.398 120.570 -0.417 0.000 2.361 330 I HA -0.102 4.068 4.170 -0.001 0.000 0.251 330 I C 2.072 178.178 176.117 -0.019 0.000 1.133 330 I CA 1.492 62.627 61.300 -0.274 0.000 1.413 330 I CB -0.192 37.730 38.000 -0.130 0.000 1.073 330 I HN 0.088 nan 8.210 nan 0.000 0.424 331 K N -0.479 119.917 120.400 -0.007 0.000 2.148 331 K HA -0.145 4.175 4.320 -0.001 0.000 0.204 331 K C 1.951 178.667 176.600 0.193 0.000 1.050 331 K CA 1.352 57.697 56.287 0.097 0.000 0.942 331 K CB -0.305 32.231 32.500 0.059 0.000 0.724 331 K HN 0.285 nan 8.250 nan 0.000 0.446 332 L N 0.503 121.813 121.223 0.144 0.000 2.027 332 L HA -0.077 4.263 4.340 -0.001 0.000 0.206 332 L C 1.779 179.036 176.870 0.645 0.000 1.074 332 L CA 1.607 56.619 54.840 0.287 0.000 0.745 332 L CB -0.585 41.574 42.059 0.167 0.000 0.898 332 L HN 0.122 nan 8.230 nan 0.000 0.433 333 F N -0.089 120.044 119.950 0.305 0.000 2.120 333 F HA -0.295 4.232 4.527 -0.001 0.000 0.300 333 F C 2.357 178.512 175.800 0.591 0.000 1.095 333 F CA 0.996 59.286 58.000 0.484 0.000 1.249 333 F CB -0.315 38.811 39.000 0.210 0.000 0.995 333 F HN 0.263 nan 8.300 nan 0.000 0.480 334 D N 0.161 120.911 120.400 0.583 0.000 2.178 334 D HA -0.224 4.416 4.640 -0.001 0.000 0.201 334 D C 1.884 178.475 176.300 0.485 0.000 0.980 334 D CA 0.801 55.066 54.000 0.442 0.000 0.842 334 D CB -0.335 40.632 40.800 0.280 0.000 0.948 334 D HN 0.191 nan 8.370 nan 0.000 0.472 335 F N 0.019 120.166 119.950 0.329 0.000 2.161 335 F HA -0.234 4.293 4.527 -0.000 0.000 0.300 335 F C 1.513 177.394 175.800 0.136 0.000 1.089 335 F CA 1.359 59.464 58.000 0.174 0.000 1.282 335 F CB -0.571 38.463 39.000 0.056 0.000 1.010 335 F HN 0.047 nan 8.300 nan 0.000 0.485 336 Y N -1.747 118.729 120.300 0.293 0.000 2.497 336 Y HA -0.148 4.402 4.550 -0.001 0.000 0.292 336 Y C 1.505 177.317 175.900 -0.147 0.000 1.137 336 Y CA 0.998 59.135 58.100 0.063 0.000 1.285 336 Y CB -0.621 37.930 38.460 0.152 0.000 0.991 336 Y HN 0.026 nan 8.280 nan 0.000 0.556 337 F N -0.963 119.075 119.950 0.145 0.000 2.695 337 F HA 0.323 4.850 4.527 -0.000 0.000 0.303 337 F C 1.478 177.361 175.800 0.137 0.000 1.091 337 F CA -0.409 57.671 58.000 0.134 0.000 1.300 337 F CB -0.180 38.806 39.000 -0.024 0.000 1.071 337 F HN -0.189 nan 8.300 nan 0.000 0.578 338 G N 0.467 109.322 108.800 0.092 0.000 2.502 338 G HA2 0.312 4.271 3.960 -0.001 0.000 0.305 338 G HA3 0.312 4.271 3.960 -0.001 0.000 0.305 338 G C -1.586 173.254 174.900 -0.100 0.000 1.190 338 G CA -1.194 43.914 45.100 0.014 0.000 0.933 338 G HN -0.147 nan 8.290 nan 0.000 0.503 339 P HA -0.196 nan 4.420 nan 0.000 0.213 339 P C 1.515 178.720 177.300 -0.159 0.000 1.170 339 P CA 1.389 64.426 63.100 -0.105 0.000 0.902 339 P CB 0.263 31.930 31.700 -0.055 0.000 0.789 340 K N 0.317 120.605 120.400 -0.187 0.000 2.026 340 K HA -0.073 4.246 4.320 -0.001 0.000 0.208 340 K C 2.382 178.803 176.600 -0.297 0.000 1.048 340 K CA 2.130 58.317 56.287 -0.165 0.000 0.929 340 K CB -1.569 30.907 32.500 -0.040 0.000 0.713 340 K HN 0.123 nan 8.250 nan 0.000 0.439 341 G N 0.489 108.829 108.800 -0.767 0.000 2.440 341 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.218 341 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.218 341 G C 1.729 176.464 174.900 -0.275 0.000 1.154 341 G CA 1.048 45.682 45.100 -0.776 0.000 0.767 341 G HN 0.406 nan 8.290 nan 0.000 0.552 342 R N 0.351 120.719 120.500 -0.221 0.000 2.081 342 R HA -0.040 4.299 4.340 -0.001 0.000 0.235 342 R C 2.418 178.677 176.300 -0.068 0.000 1.131 342 R CA 1.677 57.705 56.100 -0.120 0.000 0.960 342 R CB -0.308 29.877 30.300 -0.192 0.000 0.856 342 R HN 0.533 nan 8.270 nan 0.000 0.436 343 E N 0.336 120.486 120.200 -0.082 0.000 2.031 343 E HA -0.210 4.139 4.350 -0.001 0.000 0.193 343 E C 2.042 178.640 176.600 -0.003 0.000 0.994 343 E CA 1.465 57.842 56.400 -0.038 0.000 0.800 343 E CB -0.075 29.573 29.700 -0.087 0.000 0.752 343 E HN 0.344 nan 8.360 nan 0.000 0.447 344 L N 0.748 121.981 121.223 0.016 0.000 2.012 344 L HA -0.198 4.142 4.340 -0.001 0.000 0.210 344 L C 2.763 179.627 176.870 -0.011 0.000 1.073 344 L CA 1.555 56.433 54.840 0.064 0.000 0.748 344 L CB -0.592 41.533 42.059 0.109 0.000 0.891 344 L HN 0.248 nan 8.230 nan 0.000 0.431 345 S N -1.220 114.467 115.700 -0.021 0.000 2.507 345 S HA -0.093 4.376 4.470 -0.001 0.000 0.235 345 S C 1.596 176.017 174.600 -0.297 0.000 0.988 345 S CA 0.865 58.979 58.200 -0.143 0.000 0.944 345 S CB -0.303 62.893 63.200 -0.008 0.000 0.762 345 S HN 0.440 nan 8.310 nan 0.000 0.526 346 N N 0.044 118.633 118.700 -0.185 0.000 2.499 346 N HA 0.252 4.992 4.740 -0.001 0.000 0.182 346 N C 0.630 175.777 175.510 -0.606 0.000 1.034 346 N CA 0.839 53.650 53.050 -0.398 0.000 0.882 346 N CB -0.024 38.252 38.487 -0.352 0.000 1.125 346 N HN 0.464 nan 8.380 nan 0.000 0.436 347 F N 0.307 120.044 119.950 -0.355 0.000 2.717 347 F HA 0.325 4.852 4.527 0.001 0.000 0.295 347 F C 1.694 177.428 175.800 -0.110 0.000 1.117 347 F CA 0.441 58.188 58.000 -0.421 0.000 1.361 347 F CB 0.533 38.839 39.000 -1.156 0.000 1.112 347 F HN 0.068 nan 8.300 nan 0.000 0.594 348 G N 0.266 109.115 108.800 0.081 0.000 2.659 348 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.214 348 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.214 348 G C -1.220 173.866 174.900 0.310 0.000 1.191 348 G CA -0.472 44.720 45.100 0.153 0.000 1.141 348 G HN 0.000 nan 8.290 nan 0.000 0.581 349 V N 3.082 123.184 119.914 0.314 0.000 2.709 349 V HA 0.627 4.747 4.120 -0.001 0.000 0.308 349 V C -2.079 173.959 176.094 -0.093 0.000 1.062 349 V CA -1.109 61.297 62.300 0.176 0.000 0.901 349 V CB 2.273 34.139 31.823 0.071 0.000 1.003 349 V HN 0.679 nan 8.190 nan 0.000 0.425 350 P HA 0.187 nan 4.420 nan 0.000 0.268 350 P C 0.931 178.048 177.300 -0.305 0.000 1.204 350 P CA 1.335 64.021 63.100 -0.689 0.000 0.768 350 P CB 0.891 32.258 31.700 -0.555 0.000 0.842 351 G N 2.040 110.682 108.800 -0.264 0.000 2.253 351 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.251 351 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.251 351 G C 0.640 175.499 174.900 -0.068 0.000 0.998 351 G CA 0.360 45.383 45.100 -0.128 0.000 0.621 351 G HN 0.482 nan 8.290 nan 0.000 0.524 352 L N -0.287 120.904 121.223 -0.053 0.000 2.435 352 L HA 0.241 4.580 4.340 -0.001 0.000 0.195 352 L C 2.749 179.649 176.870 0.049 0.000 1.072 352 L CA 1.750 56.591 54.840 0.001 0.000 0.833 352 L CB -0.073 41.993 42.059 0.012 0.000 1.081 352 L HN 0.390 nan 8.230 nan 0.000 0.485 353 T N -3.076 111.551 114.554 0.122 0.000 2.959 353 T HA 0.166 4.516 4.350 -0.001 0.000 0.254 353 T C -0.027 174.932 174.700 0.432 0.000 1.003 353 T CA -0.102 62.154 62.100 0.261 0.000 0.950 353 T CB 0.275 69.337 68.868 0.324 0.000 1.090 353 T HN 0.248 nan 8.240 nan 0.000 0.503 354 Y N -0.565 119.809 120.300 0.123 0.000 2.725 354 Y HA 0.782 5.331 4.550 -0.002 0.000 0.333 354 Y C -2.314 173.578 175.900 -0.013 0.000 1.242 354 Y CA -1.738 56.400 58.100 0.063 0.000 1.059 354 Y CB 0.766 39.207 38.460 -0.032 0.000 1.306 354 Y HN -0.147 nan 8.280 nan 0.000 0.454 355 D N 1.141 121.492 120.400 -0.081 0.000 2.601 355 D HA 0.390 5.029 4.640 -0.001 0.000 0.230 355 D C -1.249 175.016 176.300 -0.059 0.000 1.106 355 D CA -0.299 53.588 54.000 -0.189 0.000 0.873 355 D CB 3.148 43.896 40.800 -0.087 0.000 1.515 355 D HN 0.519 nan 8.370 nan 0.000 0.468 356 I N 1.533 122.047 120.570 -0.094 0.000 2.322 356 I HA 0.099 4.269 4.170 -0.001 0.000 0.292 356 I C 0.426 176.516 176.117 -0.046 0.000 1.060 356 I CA 0.149 61.428 61.300 -0.035 0.000 1.309 356 I CB 0.274 38.255 38.000 -0.033 0.000 1.415 356 I HN -0.071 nan 8.210 nan 0.000 0.492 357 K N 5.765 126.138 120.400 -0.045 0.000 2.339 357 K HA 0.357 4.677 4.320 -0.001 0.000 0.264 357 K C -0.171 176.405 176.600 -0.041 0.000 0.986 357 K CA -0.683 55.581 56.287 -0.038 0.000 0.866 357 K CB 0.856 33.338 32.500 -0.029 0.000 1.103 357 K HN 0.418 nan 8.250 nan 0.000 0.441 358 N N 2.145 120.825 118.700 -0.033 0.000 2.725 358 N HA -0.208 4.532 4.740 -0.001 0.000 0.251 358 N C 0.591 176.078 175.510 -0.038 0.000 1.031 358 N CA 1.394 54.426 53.050 -0.031 0.000 0.720 358 N CB -1.070 37.402 38.487 -0.026 0.000 0.930 358 N HN 1.138 nan 8.380 nan 0.000 0.543 359 G N -1.404 107.371 108.800 -0.041 0.000 2.184 359 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.264 359 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.264 359 G C 0.019 174.876 174.900 -0.071 0.000 0.975 359 G CA 1.067 46.139 45.100 -0.047 0.000 0.642 359 G HN 0.543 nan 8.290 nan 0.000 0.536 360 K N 0.973 121.320 120.400 -0.088 0.000 2.316 360 K HA 0.486 4.806 4.320 -0.001 0.000 0.251 360 K C -2.728 173.748 176.600 -0.207 0.000 0.934 360 K CA -2.103 54.096 56.287 -0.145 0.000 0.802 360 K CB 3.009 35.436 32.500 -0.122 0.000 1.171 360 K HN -0.011 nan 8.250 nan 0.000 0.426 361 P HA 0.079 nan 4.420 nan 0.000 0.276 361 P C -0.735 176.209 177.300 -0.593 0.000 1.253 361 P CA -0.253 62.452 63.100 -0.657 0.000 0.766 361 P CB 0.760 31.468 31.700 -1.654 0.000 0.845 362 V N 5.641 125.418 119.914 -0.229 0.000 2.483 362 V HA 0.206 4.325 4.120 -0.001 0.000 0.297 362 V C -0.112 176.035 176.094 0.088 0.000 1.027 362 V CA -0.812 61.444 62.300 -0.073 0.000 0.855 362 V CB 0.951 32.770 31.823 -0.006 0.000 0.995 362 V HN 0.373 nan 8.190 nan 0.000 0.424 363 Y N 2.974 123.397 120.300 0.204 0.000 2.597 363 Y HA 0.159 4.709 4.550 -0.001 0.000 0.336 363 Y C 1.131 177.114 175.900 0.138 0.000 1.216 363 Y CA 0.031 58.270 58.100 0.231 0.000 1.463 363 Y CB 0.430 39.025 38.460 0.224 0.000 1.303 363 Y HN 0.512 nan 8.280 nan 0.000 0.576 364 K N 1.686 122.281 120.400 0.324 0.000 2.319 364 K HA -0.077 4.242 4.320 -0.001 0.000 0.265 364 K C 0.757 177.431 176.600 0.123 0.000 1.000 364 K CA -0.171 56.215 56.287 0.164 0.000 0.943 364 K CB 0.479 33.048 32.500 0.114 0.000 0.950 364 K HN 0.646 nan 8.250 nan 0.000 0.485 365 D N 0.897 121.342 120.400 0.075 0.000 2.144 365 D HA -0.143 4.497 4.640 -0.001 0.000 0.199 365 D C 1.571 177.883 176.300 0.020 0.000 0.984 365 D CA 1.732 55.761 54.000 0.048 0.000 0.834 365 D CB 0.089 40.909 40.800 0.033 0.000 0.955 365 D HN 0.727 nan 8.370 nan 0.000 0.465 366 T N -2.366 112.196 114.554 0.013 0.000 2.915 366 T HA -0.070 4.279 4.350 -0.001 0.000 0.269 366 T C 2.138 176.816 174.700 -0.036 0.000 1.071 366 T CA 0.974 63.067 62.100 -0.011 0.000 1.132 366 T CB -0.491 68.371 68.868 -0.010 0.000 0.878 366 T HN -0.042 nan 8.240 nan 0.000 0.479 367 V N 1.492 121.389 119.914 -0.029 0.000 2.283 367 V HA 0.021 4.141 4.120 -0.001 0.000 0.243 367 V C 2.722 178.723 176.094 -0.155 0.000 1.039 367 V CA 1.335 63.572 62.300 -0.105 0.000 1.016 367 V CB -0.627 31.143 31.823 -0.089 0.000 0.650 367 V HN 0.442 nan 8.190 nan 0.000 0.449 368 L N -0.504 120.669 121.223 -0.084 0.000 2.141 368 L HA -0.142 4.198 4.340 -0.001 0.000 0.209 368 L C 2.234 179.067 176.870 -0.063 0.000 1.094 368 L CA 1.514 56.314 54.840 -0.067 0.000 0.763 368 L CB -0.474 41.602 42.059 0.029 0.000 0.908 368 L HN 0.280 nan 8.230 nan 0.000 0.437 369 K N -0.016 120.355 120.400 -0.049 0.000 2.404 369 K HA 0.214 4.534 4.320 -0.001 0.000 0.194 369 K C 0.774 177.335 176.600 -0.065 0.000 1.023 369 K CA -0.190 56.070 56.287 -0.046 0.000 1.094 369 K CB 0.335 32.819 32.500 -0.025 0.000 0.841 369 K HN 0.174 nan 8.250 nan 0.000 0.523 370 A N 0.758 123.523 122.820 -0.091 0.000 2.406 370 A HA 0.355 4.675 4.320 -0.001 0.000 0.243 370 A C 1.323 178.842 177.584 -0.107 0.000 1.082 370 A CA 0.437 52.416 52.037 -0.098 0.000 0.786 370 A CB 0.413 19.340 19.000 -0.120 0.000 1.029 370 A HN 0.273 nan 8.150 nan 0.000 0.495 371 A N 0.113 122.877 122.820 -0.093 0.000 1.929 371 A HA -0.004 4.316 4.320 -0.001 0.000 0.216 371 A C 1.397 178.911 177.584 -0.116 0.000 1.176 371 A CA 1.350 53.333 52.037 -0.090 0.000 0.628 371 A CB -0.523 18.436 19.000 -0.068 0.000 0.816 371 A HN 0.881 nan 8.150 nan 0.000 0.444 372 Q N 0.756 120.480 119.800 -0.128 0.000 2.311 372 Q HA 0.202 4.542 4.340 -0.001 0.000 0.272 372 Q C -2.494 173.365 176.000 -0.235 0.000 1.012 372 Q CA -1.963 53.746 55.803 -0.156 0.000 0.891 372 Q CB 0.463 29.113 28.738 -0.147 0.000 1.201 372 Q HN 0.167 nan 8.270 nan 0.000 0.391 373 P HA -0.106 nan 4.420 nan 0.000 0.267 373 P C 0.370 177.336 177.300 -0.556 0.000 1.200 373 P CA -0.124 62.727 63.100 -0.415 0.000 0.772 373 P CB 0.666 32.140 31.700 -0.377 0.000 0.855 374 V N 2.476 121.909 119.914 -0.802 0.000 2.392 374 V HA -0.299 3.821 4.120 -0.001 0.000 0.249 374 V C 1.923 177.573 176.094 -0.740 0.000 1.059 374 V CA 2.125 63.916 62.300 -0.849 0.000 1.051 374 V CB -1.261 29.820 31.823 -1.237 0.000 0.658 374 V HN 0.625 nan 8.190 nan 0.000 0.455 375 N N 0.414 118.625 118.700 -0.815 0.000 2.069 375 N HA -0.216 4.523 4.740 -0.001 0.000 0.191 375 N C 1.621 176.401 175.510 -1.218 0.000 1.031 375 N CA 1.792 54.365 53.050 -0.794 0.000 0.852 375 N CB -0.213 37.933 38.487 -0.568 0.000 1.018 375 N HN 0.596 nan 8.380 nan 0.000 0.423 376 N N 0.507 118.730 118.700 -0.795 0.000 2.270 376 N HA -0.084 4.656 4.740 -0.001 0.000 0.181 376 N C 1.448 176.675 175.510 -0.471 0.000 1.016 376 N CA 0.687 53.403 53.050 -0.556 0.000 0.870 376 N CB 0.065 38.419 38.487 -0.221 0.000 0.979 376 N HN 0.294 nan 8.380 nan 0.000 0.431 377 Q N -0.338 119.197 119.800 -0.443 0.000 2.170 377 Q HA -0.043 4.296 4.340 -0.001 0.000 0.203 377 Q C 1.553 177.339 176.000 -0.356 0.000 0.976 377 Q CA 0.928 56.528 55.803 -0.339 0.000 0.858 377 Q CB 0.016 28.564 28.738 -0.317 0.000 0.907 377 Q HN 0.412 nan 8.270 nan 0.000 0.433 378 M N -0.657 118.665 119.600 -0.462 0.000 2.156 378 M HA -0.116 4.363 4.480 -0.001 0.000 0.264 378 M C 1.903 177.927 176.300 -0.460 0.000 1.067 378 M CA 1.510 56.552 55.300 -0.430 0.000 1.131 378 M CB -0.907 31.423 32.600 -0.450 0.000 1.368 378 M HN 0.196 nan 8.290 nan 0.000 0.416 379 Y N 1.217 121.244 120.300 -0.455 0.000 2.165 379 Y HA -0.210 4.340 4.550 0.000 0.000 0.286 379 Y C 2.218 177.751 175.900 -0.611 0.000 1.155 379 Y CA 0.721 58.488 58.100 -0.555 0.000 1.164 379 Y CB -1.620 36.499 38.460 -0.569 0.000 0.978 379 Y HN 0.290 nan 8.280 nan 0.000 0.513 380 D N 0.239 120.440 120.400 -0.333 0.000 2.228 380 D HA -0.144 4.496 4.640 -0.001 0.000 0.203 380 D C 1.603 177.778 176.300 -0.207 0.000 0.988 380 D CA 1.684 55.546 54.000 -0.230 0.000 0.864 380 D CB -0.324 40.361 40.800 -0.192 0.000 0.928 380 D HN 0.619 nan 8.370 nan 0.000 0.469 381 I N -5.319 114.994 120.570 -0.429 0.000 3.974 381 I HA 0.458 4.628 4.170 -0.001 0.000 0.334 381 I C 1.058 176.612 176.117 -0.939 0.000 1.437 381 I CA 0.053 61.088 61.300 -0.441 0.000 1.113 381 I CB 0.616 38.492 38.000 -0.205 0.000 1.063 381 I HN -0.037 nan 8.210 nan 0.000 0.400 382 G N 1.348 109.087 108.800 -1.769 0.000 2.141 382 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.231 382 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.231 382 G C 0.186 174.476 174.900 -1.016 0.000 0.984 382 G CA -0.085 43.835 45.100 -1.966 0.000 0.660 382 G HN 0.910 nan 8.290 nan 0.000 0.525 383 A N -0.779 121.595 122.820 -0.744 0.000 2.299 383 A HA 0.768 5.088 4.320 -0.001 0.000 0.332 383 A C 1.119 178.344 177.584 -0.598 0.000 1.131 383 A CA 0.730 52.412 52.037 -0.592 0.000 0.844 383 A CB 0.615 19.369 19.000 -0.411 0.000 1.251 383 A HN 1.069 nan 8.150 nan 0.000 0.486 384 Q N -1.389 117.967 119.800 -0.739 0.000 2.480 384 Q HA -0.203 4.137 4.340 -0.001 0.000 0.265 384 Q C -0.039 175.632 176.000 -0.548 0.000 1.072 384 Q CA 1.520 56.959 55.803 -0.606 0.000 1.018 384 Q CB -2.168 26.367 28.738 -0.339 0.000 1.433 384 Q HN 0.890 nan 8.270 nan 0.000 0.513 385 I N -2.554 117.484 120.570 -0.888 0.000 2.577 385 I HA 0.400 4.569 4.170 -0.001 0.000 0.300 385 I C -1.366 174.176 176.117 -0.959 0.000 0.990 385 I CA -2.487 58.283 61.300 -0.883 0.000 1.283 385 I CB 1.064 38.546 38.000 -0.864 0.000 1.411 385 I HN -0.242 nan 8.210 nan 0.000 0.515 386 P HA 0.070 nan 4.420 nan 0.000 0.277 386 P C 0.152 177.206 177.300 -0.410 0.000 1.617 386 P CA 0.200 62.982 63.100 -0.531 0.000 0.829 386 P CB -0.647 30.878 31.700 -0.292 0.000 1.774 387 I N -3.517 116.666 120.570 -0.644 0.000 3.783 387 I HA 0.633 4.803 4.170 -0.001 0.000 0.272 387 I C 0.664 176.295 176.117 -0.810 0.000 1.329 387 I CA -1.245 59.450 61.300 -1.008 0.000 0.887 387 I CB 0.085 37.003 38.000 -1.802 0.000 1.596 387 I HN -0.172 nan 8.210 nan 0.000 0.712 388 G N 1.596 109.576 108.800 -1.367 0.000 2.444 388 G HA2 0.453 4.413 3.960 -0.001 0.000 0.303 388 G HA3 0.453 4.413 3.960 -0.001 0.000 0.303 388 G C -0.884 173.888 174.900 -0.213 0.000 1.032 388 G CA -0.146 44.720 45.100 -0.389 0.000 1.137 388 G HN 0.613 nan 8.290 nan 0.000 0.430 389 F N 1.528 121.257 119.950 -0.368 0.000 2.662 389 F HA 0.761 5.287 4.527 -0.001 0.000 0.312 389 F C -2.130 173.444 175.800 -0.377 0.000 1.113 389 F CA -2.987 54.698 58.000 -0.525 0.000 0.951 389 F CB 1.329 40.043 39.000 -0.476 0.000 1.344 389 F HN 0.263 nan 8.300 nan 0.000 0.462 390 W N 5.403 126.080 121.300 -1.037 0.000 2.282 390 W HA 0.457 5.118 4.660 0.002 0.000 0.322 390 W C -0.449 175.645 176.519 -0.708 0.000 1.011 390 W CA -1.271 55.558 57.345 -0.859 0.000 1.392 390 W CB 0.924 29.889 29.460 -0.825 0.000 1.215 390 W HN 0.902 nan 8.180 nan 0.000 0.394 391 Q N 3.104 122.551 119.800 -0.588 0.000 2.395 391 Q HA -0.015 4.325 4.340 -0.001 0.000 0.271 391 Q C -0.660 175.230 176.000 -0.184 0.000 1.026 391 Q CA 0.754 56.313 55.803 -0.407 0.000 0.900 391 Q CB 0.766 29.402 28.738 -0.169 0.000 1.266 391 Q HN 0.349 nan 8.270 nan 0.000 0.430 392 D N 2.361 122.705 120.400 -0.094 0.000 2.440 392 D HA 0.038 4.678 4.640 -0.001 0.000 0.239 392 D C -0.180 176.215 176.300 0.158 0.000 1.084 392 D CA -0.342 53.634 54.000 -0.039 0.000 0.843 392 D CB 0.563 41.339 40.800 -0.041 0.000 1.097 392 D HN 0.694 nan 8.370 nan 0.000 0.531 393 Y N 3.496 123.831 120.300 0.058 0.000 2.298 393 Y HA -0.222 4.327 4.550 -0.001 0.000 0.287 393 Y C 1.667 177.557 175.900 -0.017 0.000 1.164 393 Y CA 1.457 59.580 58.100 0.038 0.000 1.229 393 Y CB 0.496 38.955 38.460 -0.002 0.000 0.977 393 Y HN 0.418 nan 8.280 nan 0.000 0.538 394 E N -0.256 119.942 120.200 -0.003 0.000 2.171 394 E HA -0.282 4.067 4.350 -0.001 0.000 0.197 394 E C 1.884 178.452 176.600 -0.052 0.000 0.997 394 E CA 1.731 58.119 56.400 -0.020 0.000 0.810 394 E CB -0.846 28.931 29.700 0.129 0.000 0.738 394 E HN 0.879 nan 8.360 nan 0.000 0.467 395 Y N 0.549 120.728 120.300 -0.203 0.000 2.242 395 Y HA -0.051 4.498 4.550 -0.001 0.000 0.291 395 Y C 2.116 177.887 175.900 -0.214 0.000 1.137 395 Y CA 1.695 59.596 58.100 -0.332 0.000 1.181 395 Y CB -0.299 37.640 38.460 -0.868 0.000 0.989 395 Y HN 0.008 nan 8.280 nan 0.000 0.527 396 E N 0.700 119.997 120.200 -1.505 0.000 2.112 396 E HA -0.155 4.194 4.350 -0.001 0.000 0.190 396 E C 2.420 178.048 176.600 -1.620 0.000 0.979 396 E CA 0.458 55.616 56.400 -2.071 0.000 0.814 396 E CB -0.142 28.566 29.700 -1.653 0.000 0.762 396 E HN 0.527 nan 8.360 nan 0.000 0.460 397 R N 0.559 120.353 120.500 -1.176 0.000 2.127 397 R HA -0.175 4.164 4.340 -0.001 0.000 0.238 397 R C 2.031 178.088 176.300 -0.405 0.000 1.134 397 R CA 1.731 57.430 56.100 -0.668 0.000 0.975 397 R CB -0.008 30.063 30.300 -0.382 0.000 0.865 397 R HN 0.253 nan 8.270 nan 0.000 0.447 398 Q N -0.539 119.077 119.800 -0.308 0.000 2.437 398 Q HA -0.127 4.213 4.340 -0.001 0.000 0.210 398 Q C 0.548 176.578 176.000 0.050 0.000 0.972 398 Q CA 1.151 56.941 55.803 -0.022 0.000 0.903 398 Q CB 0.126 29.007 28.738 0.239 0.000 0.967 398 Q HN 0.653 nan 8.270 nan 0.000 0.486 399 W N -1.226 120.002 121.300 -0.120 0.000 2.407 399 W HA 0.418 5.078 4.660 -0.001 0.000 0.370 399 W C -0.871 175.585 176.519 -0.104 0.000 0.928 399 W CA -0.566 56.706 57.345 -0.122 0.000 2.005 399 W CB -0.150 29.200 29.460 -0.182 0.000 1.171 399 W HN -0.301 nan 8.180 nan 0.000 0.572 400 T N 3.439 117.887 114.554 -0.177 0.000 2.797 400 T HA 0.147 4.497 4.350 -0.001 0.000 0.279 400 T C 0.352 175.047 174.700 -0.008 0.000 0.991 400 T CA -0.348 61.685 62.100 -0.112 0.000 0.979 400 T CB 1.536 70.261 68.868 -0.238 0.000 0.943 400 T HN 0.122 nan 8.240 nan 0.000 0.444 401 N N 2.116 120.848 118.700 0.055 0.000 2.354 401 N HA 0.062 4.802 4.740 -0.001 0.000 0.246 401 N C 0.527 176.073 175.510 0.060 0.000 1.285 401 N CA -0.275 52.811 53.050 0.059 0.000 0.925 401 N CB 0.432 38.961 38.487 0.071 0.000 1.174 401 N HN 0.348 nan 8.380 nan 0.000 0.478 402 D N 0.063 120.496 120.400 0.055 0.000 2.149 402 D HA -0.119 4.520 4.640 -0.001 0.000 0.198 402 D C 1.730 178.074 176.300 0.074 0.000 0.990 402 D CA 1.048 55.079 54.000 0.052 0.000 0.839 402 D CB -0.279 40.548 40.800 0.044 0.000 0.948 402 D HN 0.343 nan 8.370 nan 0.000 0.460 403 V N 1.650 121.625 119.914 0.103 0.000 2.332 403 V HA -0.260 3.859 4.120 -0.001 0.000 0.248 403 V C 2.596 178.802 176.094 0.186 0.000 1.055 403 V CA 1.865 64.248 62.300 0.139 0.000 1.038 403 V CB -0.796 31.131 31.823 0.174 0.000 0.651 403 V HN 0.192 nan 8.190 nan 0.000 0.450 404 A N -0.205 122.747 122.820 0.221 0.000 1.858 404 A HA -0.165 4.155 4.320 -0.001 0.000 0.216 404 A C 2.204 179.847 177.584 0.098 0.000 1.190 404 A CA 1.881 54.091 52.037 0.288 0.000 0.617 404 A CB -0.606 18.558 19.000 0.272 0.000 0.827 404 A HN 0.495 nan 8.150 nan 0.000 0.443 405 L N -0.809 120.442 121.223 0.046 0.000 2.083 405 L HA -0.256 4.084 4.340 -0.001 0.000 0.209 405 L C 2.892 179.738 176.870 -0.039 0.000 1.083 405 L CA 1.787 56.618 54.840 -0.015 0.000 0.752 405 L CB -0.529 41.533 42.059 0.005 0.000 0.899 405 L HN 0.610 nan 8.230 nan 0.000 0.433 406 Q N 0.070 119.874 119.800 0.006 0.000 2.084 406 Q HA -0.175 4.164 4.340 -0.001 0.000 0.202 406 Q C 2.152 178.148 176.000 -0.007 0.000 0.978 406 Q CA 1.770 57.579 55.803 0.011 0.000 0.844 406 Q CB -0.175 28.588 28.738 0.041 0.000 0.898 406 Q HN 0.519 nan 8.270 nan 0.000 0.426 407 G N 0.561 109.352 108.800 -0.015 0.000 2.394 407 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.215 407 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.215 407 G C 1.373 176.028 174.900 -0.410 0.000 1.165 407 G CA 0.579 45.659 45.100 -0.034 0.000 0.784 407 G HN 0.328 nan 8.290 nan 0.000 0.535 408 I N 1.162 121.299 120.570 -0.722 0.000 2.179 408 I HA -0.153 4.016 4.170 -0.001 0.000 0.242 408 I C 2.234 178.156 176.117 -0.325 0.000 1.088 408 I CA 1.285 62.098 61.300 -0.812 0.000 1.357 408 I CB -0.125 37.534 38.000 -0.568 0.000 1.051 408 I HN 0.041 nan 8.210 nan 0.000 0.409 409 D N 0.310 120.599 120.400 -0.186 0.000 2.178 409 D HA -0.222 4.418 4.640 -0.001 0.000 0.201 409 D C 2.068 178.343 176.300 -0.040 0.000 0.980 409 D CA 1.228 55.172 54.000 -0.095 0.000 0.842 409 D CB -0.221 40.546 40.800 -0.055 0.000 0.948 409 D HN 0.378 nan 8.370 nan 0.000 0.472 410 M N -0.634 118.976 119.600 0.017 0.000 2.132 410 M HA -0.218 4.261 4.480 -0.001 0.000 0.263 410 M C 1.771 178.152 176.300 0.136 0.000 1.065 410 M CA 1.336 56.698 55.300 0.103 0.000 1.122 410 M CB -0.083 32.644 32.600 0.212 0.000 1.365 410 M HN -0.099 nan 8.290 nan 0.000 0.411 411 Y N 0.840 121.124 120.300 -0.026 0.000 2.242 411 Y HA -0.111 4.438 4.550 -0.001 0.000 0.291 411 Y C 2.123 177.939 175.900 -0.139 0.000 1.137 411 Y CA 1.414 59.533 58.100 0.031 0.000 1.181 411 Y CB -0.589 37.947 38.460 0.128 0.000 0.989 411 Y HN 0.256 nan 8.280 nan 0.000 0.527 412 I N -0.182 120.387 120.570 -0.001 0.000 2.163 412 I HA -0.337 3.833 4.170 -0.001 0.000 0.240 412 I C 2.530 178.576 176.117 -0.119 0.000 1.081 412 I CA 1.613 62.870 61.300 -0.073 0.000 1.353 412 I CB -0.357 37.584 38.000 -0.098 0.000 1.054 412 I HN 0.059 nan 8.210 nan 0.000 0.407 413 K N 0.900 121.229 120.400 -0.118 0.000 2.063 413 K HA -0.199 4.121 4.320 -0.001 0.000 0.208 413 K C 1.547 178.023 176.600 -0.207 0.000 1.048 413 K CA 1.726 57.936 56.287 -0.128 0.000 0.928 413 K CB -0.017 32.430 32.500 -0.087 0.000 0.713 413 K HN 0.295 nan 8.250 nan 0.000 0.442 414 N N 0.930 119.401 118.700 -0.382 0.000 2.398 414 N HA -0.007 4.732 4.740 -0.001 0.000 0.188 414 N C -0.621 174.504 175.510 -0.641 0.000 1.122 414 N CA 0.414 53.102 53.050 -0.602 0.000 0.866 414 N CB 0.458 38.328 38.487 -1.028 0.000 0.970 414 N HN 0.171 nan 8.380 nan 0.000 0.462 415 K N -0.157 119.981 120.400 -0.436 0.000 3.096 415 K HA -0.214 4.106 4.320 -0.001 0.000 0.266 415 K C -0.011 176.514 176.600 -0.125 0.000 1.043 415 K CA 0.366 56.521 56.287 -0.220 0.000 0.758 415 K CB -2.139 30.290 32.500 -0.117 0.000 1.260 415 K HN 0.435 nan 8.250 nan 0.000 0.481 416 Y N -0.341 119.927 120.300 -0.052 0.000 2.373 416 Y HA -0.052 4.498 4.550 -0.000 0.000 0.293 416 Y C 1.495 177.412 175.900 0.028 0.000 1.129 416 Y CA -0.182 57.889 58.100 -0.049 0.000 1.226 416 Y CB 0.391 38.697 38.460 -0.257 0.000 1.000 416 Y HN -0.020 nan 8.280 nan 0.000 0.549 417 V N 3.539 123.565 119.914 0.188 0.000 2.529 417 V HA -0.100 4.020 4.120 -0.001 0.000 0.292 417 V C 0.315 176.448 176.094 0.065 0.000 1.028 417 V CA -0.200 62.187 62.300 0.146 0.000 1.074 417 V CB 0.007 31.908 31.823 0.131 0.000 0.958 417 V HN 0.181 nan 8.190 nan 0.000 0.481 418 L N 6.951 128.181 121.223 0.012 0.000 2.436 418 L HA 0.341 4.681 4.340 -0.001 0.000 0.265 418 L C -2.043 174.809 176.870 -0.029 0.000 1.168 418 L CA -1.735 53.060 54.840 -0.075 0.000 0.815 418 L CB 0.331 42.245 42.059 -0.243 0.000 1.109 418 L HN 0.416 nan 8.230 nan 0.000 0.462 419 P HA 0.010 nan 4.420 nan 0.000 0.264 419 P C -0.908 176.417 177.300 0.042 0.000 1.193 419 P CA 0.002 63.114 63.100 0.019 0.000 0.763 419 P CB 0.426 32.141 31.700 0.024 0.000 0.810 420 Q N 1.994 121.839 119.800 0.074 0.000 2.221 420 Q HA 0.356 4.696 4.340 -0.001 0.000 0.242 420 Q C -0.613 175.497 176.000 0.182 0.000 0.940 420 Q CA -0.522 55.351 55.803 0.117 0.000 0.896 420 Q CB 1.033 29.829 28.738 0.098 0.000 1.226 420 Q HN 0.456 nan 8.270 nan 0.000 0.463 421 F N 1.414 121.400 119.950 0.061 0.000 2.404 421 F HA 0.127 4.654 4.527 -0.001 0.000 0.358 421 F C 1.053 176.908 175.800 0.091 0.000 1.120 421 F CA -0.374 57.660 58.000 0.057 0.000 1.144 421 F CB 0.942 39.998 39.000 0.093 0.000 1.133 421 F HN 0.521 nan 8.300 nan 0.000 0.495 422 T N 2.279 116.613 114.554 -0.368 0.000 3.144 422 T HA 0.476 4.826 4.350 -0.001 0.000 0.249 422 T C 0.791 175.246 174.700 -0.409 0.000 1.089 422 T CA 0.206 62.162 62.100 -0.240 0.000 0.989 422 T CB -0.679 68.180 68.868 -0.015 0.000 0.992 422 T HN 1.237 nan 8.240 nan 0.000 0.540 423 G N 0.864 108.957 108.800 -1.179 0.000 2.746 423 G HA2 0.094 4.054 3.960 -0.001 0.000 0.685 423 G HA3 0.094 4.054 3.960 -0.001 0.000 0.685 423 G C -0.617 174.120 174.900 -0.271 0.000 1.350 423 G CA -0.575 44.049 45.100 -0.794 0.000 0.837 423 G HN 1.408 nan 8.290 nan 0.000 0.564 424 V N -2.148 117.762 119.914 -0.005 0.000 2.823 424 V HA 0.838 4.958 4.120 -0.001 0.000 0.312 424 V C -0.238 175.875 176.094 0.032 0.000 1.072 424 V CA -1.609 60.766 62.300 0.125 0.000 0.937 424 V CB 2.236 34.184 31.823 0.209 0.000 1.013 424 V HN 0.846 nan 8.190 nan 0.000 0.430 425 N N 3.615 122.331 118.700 0.028 0.000 2.422 425 N HA 0.590 5.330 4.740 -0.001 0.000 0.266 425 N C -0.632 174.871 175.510 -0.012 0.000 1.007 425 N CA -0.240 52.814 53.050 0.007 0.000 0.941 425 N CB 1.926 40.438 38.487 0.042 0.000 1.115 425 N HN 0.696 nan 8.380 nan 0.000 0.492 426 L N 0.759 121.953 121.223 -0.049 0.000 2.416 426 L HA 0.436 4.775 4.340 -0.001 0.000 0.262 426 L C 1.429 178.281 176.870 -0.029 0.000 1.093 426 L CA -0.811 53.998 54.840 -0.051 0.000 0.801 426 L CB 0.806 42.802 42.059 -0.105 0.000 1.191 426 L HN 0.485 nan 8.230 nan 0.000 0.459 427 T N -2.381 112.161 114.554 -0.019 0.000 2.847 427 T HA 0.231 4.581 4.350 -0.001 0.000 0.279 427 T C 1.205 175.892 174.700 -0.021 0.000 0.984 427 T CA -0.857 61.235 62.100 -0.012 0.000 0.988 427 T CB 1.389 70.254 68.868 -0.004 0.000 1.040 427 T HN 0.244 nan 8.240 nan 0.000 0.528 428 V N 1.905 121.805 119.914 -0.024 0.000 2.332 428 V HA -0.168 3.952 4.120 -0.001 0.000 0.248 428 V C 2.913 179.000 176.094 -0.012 0.000 1.055 428 V CA 2.171 64.453 62.300 -0.029 0.000 1.038 428 V CB -0.957 30.843 31.823 -0.038 0.000 0.651 428 V HN 0.951 nan 8.190 nan 0.000 0.450 429 E N 0.424 120.621 120.200 -0.004 0.000 2.106 429 E HA -0.245 4.104 4.350 -0.001 0.000 0.192 429 E C 1.932 178.544 176.600 0.020 0.000 0.984 429 E CA 1.325 57.729 56.400 0.007 0.000 0.806 429 E CB -0.438 29.267 29.700 0.008 0.000 0.750 429 E HN 0.711 nan 8.360 nan 0.000 0.458 430 E N 0.681 120.890 120.200 0.016 0.000 2.107 430 E HA -0.126 4.224 4.350 -0.001 0.000 0.191 430 E C 2.214 178.845 176.600 0.052 0.000 0.982 430 E CA 0.898 57.315 56.400 0.028 0.000 0.809 430 E CB -0.069 29.633 29.700 0.004 0.000 0.756 430 E HN 0.051 nan 8.360 nan 0.000 0.459 431 R N 1.485 121.997 120.500 0.020 0.000 2.081 431 R HA -0.177 4.163 4.340 -0.001 0.000 0.235 431 R C 2.034 178.389 176.300 0.091 0.000 1.131 431 R CA 1.699 57.819 56.100 0.032 0.000 0.960 431 R CB -0.073 30.217 30.300 -0.017 0.000 0.856 431 R HN 0.100 nan 8.270 nan 0.000 0.436 432 E N -0.089 120.141 120.200 0.050 0.000 2.085 432 E HA -0.198 4.152 4.350 -0.001 0.000 0.194 432 E C 1.785 178.402 176.600 0.028 0.000 0.994 432 E CA 1.769 58.187 56.400 0.031 0.000 0.801 432 E CB -0.091 29.613 29.700 0.006 0.000 0.743 432 E HN 0.443 nan 8.360 nan 0.000 0.453 433 I N -0.125 120.485 120.570 0.066 0.000 2.202 433 I HA -0.249 3.920 4.170 -0.001 0.000 0.242 433 I C 2.227 178.445 176.117 0.167 0.000 1.091 433 I CA 1.045 62.401 61.300 0.093 0.000 1.368 433 I CB -0.364 37.734 38.000 0.164 0.000 1.058 433 I HN 0.226 nan 8.210 nan 0.000 0.410 434 Y N 2.050 122.395 120.300 0.075 0.000 2.097 434 Y HA -0.337 4.212 4.550 -0.001 0.000 0.282 434 Y C 2.215 178.219 175.900 0.172 0.000 1.152 434 Y CA 1.965 60.138 58.100 0.123 0.000 1.136 434 Y CB -0.299 38.197 38.460 0.059 0.000 0.975 434 Y HN 0.187 nan 8.280 nan 0.000 0.498 435 D N -0.041 120.564 120.400 0.342 0.000 2.218 435 D HA -0.163 4.477 4.640 -0.001 0.000 0.204 435 D C 2.018 178.350 176.300 0.053 0.000 0.976 435 D CA 1.249 55.380 54.000 0.218 0.000 0.853 435 D CB -0.245 40.654 40.800 0.164 0.000 0.939 435 D HN 0.426 nan 8.370 nan 0.000 0.481 436 K N -0.598 119.759 120.400 -0.072 0.000 2.116 436 K HA -0.102 4.217 4.320 -0.001 0.000 0.203 436 K C 1.392 177.821 176.600 -0.286 0.000 1.052 436 K CA 0.933 57.051 56.287 -0.281 0.000 0.952 436 K CB 0.137 32.294 32.500 -0.571 0.000 0.729 436 K HN 0.227 nan 8.250 nan 0.000 0.446 437 Y N -2.135 118.202 120.300 0.062 0.000 2.607 437 Y HA 0.007 4.557 4.550 -0.001 0.000 0.276 437 Y C 2.110 178.063 175.900 0.088 0.000 1.117 437 Y CA -0.567 57.569 58.100 0.058 0.000 1.273 437 Y CB -0.202 38.299 38.460 0.068 0.000 1.282 437 Y HN 0.156 nan 8.280 nan 0.000 0.514 438 W N 3.325 124.596 121.300 -0.047 0.000 2.335 438 W HA -0.154 4.505 4.660 -0.001 0.000 0.311 438 W C -1.236 175.216 176.519 -0.111 0.000 1.213 438 W CA 1.431 58.663 57.345 -0.189 0.000 1.274 438 W CB -1.105 27.973 29.460 -0.637 0.000 1.148 438 W HN 0.070 nan 8.180 nan 0.000 0.498 439 P HA -0.228 nan 4.420 nan 0.000 0.215 439 P C 1.180 178.335 177.300 -0.241 0.000 1.157 439 P CA 2.582 65.555 63.100 -0.212 0.000 0.874 439 P CB -0.374 31.296 31.700 -0.051 0.000 0.790 440 D N -1.060 119.262 120.400 -0.130 0.000 2.144 440 D HA -0.110 4.530 4.640 -0.001 0.000 0.200 440 D C 1.786 178.009 176.300 -0.129 0.000 0.978 440 D CA 0.868 54.811 54.000 -0.095 0.000 0.833 440 D CB -0.632 40.153 40.800 -0.025 0.000 0.961 440 D HN -0.117 nan 8.370 nan 0.000 0.470 441 V N 0.478 120.289 119.914 -0.172 0.000 2.295 441 V HA -0.200 3.919 4.120 -0.001 0.000 0.246 441 V C 2.595 178.445 176.094 -0.407 0.000 1.049 441 V CA 1.809 63.998 62.300 -0.185 0.000 1.024 441 V CB -0.547 31.244 31.823 -0.053 0.000 0.648 441 V HN 0.209 nan 8.190 nan 0.000 0.447 442 K N -0.257 119.654 120.400 -0.815 0.000 2.063 442 K HA -0.199 4.121 4.320 -0.001 0.000 0.208 442 K C 2.238 178.606 176.600 -0.387 0.000 1.048 442 K CA 2.038 57.830 56.287 -0.825 0.000 0.928 442 K CB -0.338 31.570 32.500 -0.987 0.000 0.713 442 K HN 0.499 nan 8.250 nan 0.000 0.442 443 T N 0.001 114.394 114.554 -0.269 0.000 2.684 443 T HA -0.204 4.146 4.350 -0.001 0.000 0.267 443 T C 1.454 176.132 174.700 -0.036 0.000 1.036 443 T CA 1.602 63.623 62.100 -0.132 0.000 1.148 443 T CB -0.474 68.332 68.868 -0.103 0.000 0.863 443 T HN 0.351 nan 8.240 nan 0.000 0.436 444 Y N 1.588 121.794 120.300 -0.158 0.000 2.181 444 Y HA -0.106 4.444 4.550 -0.001 0.000 0.288 444 Y C 2.267 178.101 175.900 -0.109 0.000 1.146 444 Y CA 1.223 59.252 58.100 -0.119 0.000 1.164 444 Y CB -0.519 37.868 38.460 -0.122 0.000 0.982 444 Y HN 0.154 nan 8.280 nan 0.000 0.515 445 M N -1.408 118.037 119.600 -0.259 0.000 2.108 445 M HA -0.198 4.281 4.480 -0.001 0.000 0.261 445 M C 2.110 178.245 176.300 -0.276 0.000 1.066 445 M CA 2.079 57.201 55.300 -0.295 0.000 1.107 445 M CB -0.667 31.735 32.600 -0.329 0.000 1.356 445 M HN 0.381 nan 8.290 nan 0.000 0.406 446 F N 1.428 121.183 119.950 -0.324 0.000 2.102 446 F HA -0.221 4.305 4.527 -0.001 0.000 0.298 446 F C 2.177 177.889 175.800 -0.147 0.000 1.105 446 F CA 1.830 59.746 58.000 -0.141 0.000 1.239 446 F CB -0.077 38.878 39.000 -0.074 0.000 0.991 446 F HN 0.138 nan 8.300 nan 0.000 0.474 447 E N -0.349 119.867 120.200 0.027 0.000 2.077 447 E HA -0.245 4.105 4.350 -0.001 0.000 0.193 447 E C 2.180 178.527 176.600 -0.421 0.000 0.989 447 E CA 1.437 57.764 56.400 -0.122 0.000 0.800 447 E CB -0.237 29.400 29.700 -0.105 0.000 0.746 447 E HN 0.384 nan 8.360 nan 0.000 0.452 448 M N 0.219 119.404 119.600 -0.692 0.000 2.132 448 M HA -0.034 4.445 4.480 -0.001 0.000 0.263 448 M C 2.497 178.047 176.300 -1.249 0.000 1.065 448 M CA 1.418 56.014 55.300 -1.173 0.000 1.122 448 M CB -1.402 30.245 32.600 -1.588 0.000 1.365 448 M HN 0.223 nan 8.290 nan 0.000 0.411 449 G N -0.255 108.085 108.800 -0.766 0.000 2.446 449 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.217 449 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.217 449 G C 1.465 176.345 174.900 -0.034 0.000 1.168 449 G CA 1.172 46.088 45.100 -0.307 0.000 0.771 449 G HN 0.572 nan 8.290 nan 0.000 0.551 450 Q N 0.143 119.796 119.800 -0.245 0.000 2.084 450 Q HA -0.111 4.228 4.340 -0.001 0.000 0.202 450 Q C 2.738 178.455 176.000 -0.472 0.000 0.978 450 Q CA 1.797 57.226 55.803 -0.623 0.000 0.844 450 Q CB -0.221 27.942 28.738 -0.957 0.000 0.898 450 Q HN 0.431 nan 8.270 nan 0.000 0.426 451 S N -0.166 115.288 115.700 -0.409 0.000 2.368 451 S HA -0.145 4.325 4.470 -0.001 0.000 0.225 451 S C 1.284 175.820 174.600 -0.107 0.000 1.030 451 S CA 1.206 59.231 58.200 -0.291 0.000 0.999 451 S CB -0.364 62.630 63.200 -0.343 0.000 0.844 451 S HN 0.525 nan 8.310 nan 0.000 0.459 452 W N 1.296 122.499 121.300 -0.161 0.000 2.358 452 W HA 0.011 4.670 4.660 -0.001 0.000 0.303 452 W C 2.303 178.737 176.519 -0.143 0.000 1.208 452 W CA 0.006 57.266 57.345 -0.142 0.000 1.274 452 W CB -1.541 27.830 29.460 -0.149 0.000 1.138 452 W HN 0.116 nan 8.180 nan 0.000 0.515 453 V N 0.871 120.845 119.914 0.100 0.000 2.295 453 V HA -0.300 3.820 4.120 -0.001 0.000 0.246 453 V C 2.157 178.091 176.094 -0.267 0.000 1.049 453 V CA 1.893 64.180 62.300 -0.021 0.000 1.024 453 V CB -0.792 31.094 31.823 0.104 0.000 0.648 453 V HN 0.084 nan 8.190 nan 0.000 0.447 454 M N -0.289 119.105 119.600 -0.343 0.000 2.659 454 M HA 0.192 4.672 4.480 -0.001 0.000 0.243 454 M C 1.553 177.816 176.300 -0.062 0.000 1.111 454 M CA 0.999 56.064 55.300 -0.391 0.000 1.070 454 M CB -0.105 32.317 32.600 -0.296 0.000 1.525 454 M HN 0.550 nan 8.290 nan 0.000 0.517 455 G N 0.144 108.934 108.800 -0.017 0.000 2.143 455 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.248 455 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.248 455 G C 0.774 175.694 174.900 0.034 0.000 0.991 455 G CA 0.728 45.852 45.100 0.041 0.000 0.689 455 G HN 0.375 nan 8.290 nan 0.000 0.522 456 T N -0.517 114.040 114.554 0.005 0.000 2.942 456 T HA 0.173 4.523 4.350 -0.001 0.000 0.265 456 T C 1.155 175.870 174.700 0.024 0.000 1.062 456 T CA 1.656 63.755 62.100 -0.002 0.000 1.139 456 T CB -0.068 68.769 68.868 -0.053 0.000 0.883 456 T HN 0.530 nan 8.240 nan 0.000 0.468 457 K N 1.125 121.566 120.400 0.068 0.000 2.477 457 K HA 0.347 4.667 4.320 -0.001 0.000 0.255 457 K C -1.688 175.046 176.600 0.222 0.000 0.952 457 K CA -0.837 55.533 56.287 0.139 0.000 0.826 457 K CB 1.907 34.491 32.500 0.141 0.000 1.331 457 K HN -0.145 nan 8.250 nan 0.000 0.437 458 D N 2.770 123.267 120.400 0.161 0.000 2.274 458 D HA 0.165 4.805 4.640 -0.001 0.000 0.239 458 D C -1.602 174.673 176.300 -0.042 0.000 1.104 458 D CA -2.412 51.616 54.000 0.048 0.000 0.840 458 D CB 1.496 42.299 40.800 0.005 0.000 1.100 458 D HN 0.121 nan 8.370 nan 0.000 0.477 459 P HA -0.180 nan 4.420 nan 0.000 0.216 459 P C 1.015 178.099 177.300 -0.360 0.000 1.153 459 P CA 0.929 63.533 63.100 -0.826 0.000 0.858 459 P CB 0.641 31.703 31.700 -1.065 0.000 0.789 460 E N 0.582 120.628 120.200 -0.257 0.000 2.051 460 E HA -0.140 4.210 4.350 -0.001 0.000 0.192 460 E C 1.970 178.557 176.600 -0.021 0.000 0.991 460 E CA 1.233 57.541 56.400 -0.153 0.000 0.799 460 E CB -0.315 29.293 29.700 -0.154 0.000 0.748 460 E HN 0.392 nan 8.360 nan 0.000 0.449 461 K N -0.191 120.209 120.400 0.001 0.000 2.296 461 K HA -0.025 4.295 4.320 -0.001 0.000 0.200 461 K C 1.858 178.530 176.600 0.120 0.000 1.048 461 K CA 1.433 57.752 56.287 0.054 0.000 0.966 461 K CB 0.110 32.634 32.500 0.040 0.000 0.754 461 K HN 0.138 nan 8.250 nan 0.000 0.466 462 T N -2.857 111.802 114.554 0.176 0.000 3.054 462 T HA -0.003 4.346 4.350 -0.001 0.000 0.255 462 T C 1.229 176.150 174.700 0.368 0.000 1.035 462 T CA -0.672 61.590 62.100 0.269 0.000 0.941 462 T CB -0.153 68.927 68.868 0.353 0.000 1.026 462 T HN 0.340 nan 8.240 nan 0.000 0.533 463 W N 2.834 124.207 121.300 0.122 0.000 2.338 463 W HA -0.170 4.490 4.660 -0.001 0.000 0.304 463 W C 1.363 178.034 176.519 0.254 0.000 1.212 463 W CA 1.432 58.885 57.345 0.180 0.000 1.264 463 W CB -0.406 29.059 29.460 0.008 0.000 1.142 463 W HN 0.404 nan 8.180 nan 0.000 0.512 464 N N 0.102 118.949 118.700 0.245 0.000 2.142 464 N HA -0.198 4.541 4.740 -0.001 0.000 0.186 464 N C 1.170 176.712 175.510 0.054 0.000 1.023 464 N CA 1.675 54.790 53.050 0.109 0.000 0.852 464 N CB -0.402 38.166 38.487 0.135 0.000 0.998 464 N HN -0.003 nan 8.380 nan 0.000 0.424 465 D N 0.196 120.664 120.400 0.113 0.000 2.178 465 D HA -0.179 4.461 4.640 -0.001 0.000 0.201 465 D C 1.569 177.944 176.300 0.125 0.000 0.980 465 D CA 0.789 54.850 54.000 0.102 0.000 0.842 465 D CB -0.315 40.561 40.800 0.127 0.000 0.948 465 D HN 0.425 nan 8.370 nan 0.000 0.472 466 Y N 1.617 121.934 120.300 0.028 0.000 2.145 466 Y HA -0.231 4.318 4.550 -0.001 0.000 0.286 466 Y C 2.347 178.186 175.900 -0.102 0.000 1.145 466 Y CA 1.426 59.544 58.100 0.030 0.000 1.148 466 Y CB 0.067 38.542 38.460 0.025 0.000 0.981 466 Y HN -0.175 nan 8.280 nan 0.000 0.507 467 Q N 0.244 119.792 119.800 -0.419 0.000 2.170 467 Q HA -0.247 4.093 4.340 -0.001 0.000 0.203 467 Q C 2.150 178.030 176.000 -0.201 0.000 0.976 467 Q CA 1.744 57.280 55.803 -0.446 0.000 0.858 467 Q CB -0.354 28.193 28.738 -0.319 0.000 0.907 467 Q HN 0.557 nan 8.270 nan 0.000 0.433 468 Q N 0.557 120.286 119.800 -0.118 0.000 2.079 468 Q HA -0.142 4.198 4.340 -0.001 0.000 0.200 468 Q C 1.924 177.860 176.000 -0.107 0.000 0.974 468 Q CA 1.389 57.149 55.803 -0.072 0.000 0.840 468 Q CB 0.014 28.731 28.738 -0.036 0.000 0.898 468 Q HN 0.211 nan 8.270 nan 0.000 0.430 469 Q N -0.452 119.259 119.800 -0.149 0.000 2.124 469 Q HA -0.108 4.232 4.340 -0.001 0.000 0.202 469 Q C 1.996 177.815 176.000 -0.301 0.000 0.977 469 Q CA 0.835 56.475 55.803 -0.272 0.000 0.850 469 Q CB -0.316 28.164 28.738 -0.430 0.000 0.901 469 Q HN 0.319 nan 8.270 nan 0.000 0.429 470 L N 1.205 122.252 121.223 -0.293 0.000 2.012 470 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 470 L C 2.170 179.022 176.870 -0.030 0.000 1.073 470 L CA 1.846 56.531 54.840 -0.259 0.000 0.748 470 L CB -0.566 41.184 42.059 -0.516 0.000 0.891 470 L HN 0.127 nan 8.230 nan 0.000 0.431 471 K N -0.870 119.569 120.400 0.065 0.000 2.002 471 K HA -0.164 4.156 4.320 -0.001 0.000 0.209 471 K C 1.857 178.452 176.600 -0.009 0.000 1.048 471 K CA 1.558 57.934 56.287 0.149 0.000 0.930 471 K CB -0.318 32.232 32.500 0.085 0.000 0.714 471 K HN 0.263 nan 8.250 nan 0.000 0.438 472 N N 0.965 119.625 118.700 -0.067 0.000 2.205 472 N HA -0.141 4.599 4.740 -0.001 0.000 0.186 472 N C 1.191 176.624 175.510 -0.129 0.000 1.015 472 N CA 1.204 54.196 53.050 -0.097 0.000 0.862 472 N CB -0.091 38.332 38.487 -0.107 0.000 0.986 472 N HN 0.143 nan 8.380 nan 0.000 0.429 473 R N -0.452 119.955 120.500 -0.156 0.000 2.335 473 R HA 0.209 4.549 4.340 -0.001 0.000 0.223 473 R C 0.820 177.008 176.300 -0.187 0.000 0.940 473 R CA 0.424 56.441 56.100 -0.139 0.000 1.086 473 R CB 0.092 30.286 30.300 -0.176 0.000 1.073 473 R HN 0.222 nan 8.270 nan 0.000 0.504 474 G N 0.479 109.083 108.800 -0.326 0.000 2.143 474 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.249 474 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.249 474 G C 0.538 175.295 174.900 -0.239 0.000 0.981 474 G CA 0.209 44.940 45.100 -0.616 0.000 0.665 474 G HN 0.465 nan 8.290 nan 0.000 0.528 475 F N 0.547 120.373 119.950 -0.207 0.000 2.091 475 F HA -0.091 4.435 4.527 -0.001 0.000 0.299 475 F C 2.425 178.053 175.800 -0.287 0.000 1.103 475 F CA 2.446 60.323 58.000 -0.206 0.000 1.228 475 F CB -0.138 38.648 39.000 -0.358 0.000 0.984 475 F HN 0.227 nan 8.300 nan 0.000 0.477 476 Y N 0.684 120.912 120.300 -0.120 0.000 2.421 476 Y HA -0.168 4.382 4.550 -0.001 0.000 0.292 476 Y C 2.462 178.234 175.900 -0.213 0.000 1.136 476 Y CA 1.414 59.388 58.100 -0.210 0.000 1.255 476 Y CB -0.806 37.634 38.460 -0.034 0.000 0.991 476 Y HN 0.252 nan 8.280 nan 0.000 0.552 477 Q N -0.776 118.967 119.800 -0.095 0.000 2.083 477 Q HA -0.125 4.215 4.340 -0.001 0.000 0.198 477 Q C 2.348 178.301 176.000 -0.078 0.000 0.969 477 Q CA 1.607 57.371 55.803 -0.066 0.000 0.838 477 Q CB -0.303 28.387 28.738 -0.080 0.000 0.900 477 Q HN 0.336 nan 8.270 nan 0.000 0.436 478 V N 0.913 120.743 119.914 -0.140 0.000 2.343 478 V HA -0.261 3.858 4.120 -0.001 0.000 0.247 478 V C 2.255 178.166 176.094 -0.306 0.000 1.051 478 V CA 1.358 63.562 62.300 -0.160 0.000 1.036 478 V CB -0.417 31.291 31.823 -0.191 0.000 0.654 478 V HN 0.427 nan 8.190 nan 0.000 0.451 479 M N -0.866 118.464 119.600 -0.450 0.000 2.213 479 M HA -0.119 4.361 4.480 -0.001 0.000 0.263 479 M C 2.165 178.326 176.300 -0.232 0.000 1.062 479 M CA 1.857 56.901 55.300 -0.425 0.000 1.105 479 M CB -0.933 31.367 32.600 -0.500 0.000 1.385 479 M HN 0.308 nan 8.290 nan 0.000 0.417 480 I N -0.725 119.761 120.570 -0.141 0.000 2.202 480 I HA -0.248 3.922 4.170 -0.001 0.000 0.242 480 I C 2.373 178.448 176.117 -0.071 0.000 1.091 480 I CA 0.813 62.072 61.300 -0.069 0.000 1.368 480 I CB -0.406 37.578 38.000 -0.027 0.000 1.058 480 I HN -0.004 nan 8.210 nan 0.000 0.410 481 V N 0.614 120.482 119.914 -0.076 0.000 2.255 481 V HA -0.324 3.796 4.120 -0.001 0.000 0.247 481 V C 2.581 178.622 176.094 -0.088 0.000 1.051 481 V CA 1.711 63.980 62.300 -0.051 0.000 1.018 481 V CB -0.541 31.276 31.823 -0.010 0.000 0.641 481 V HN 0.366 nan 8.190 nan 0.000 0.445 482 M N -0.566 118.917 119.600 -0.194 0.000 2.108 482 M HA -0.239 4.241 4.480 -0.001 0.000 0.261 482 M C 2.271 178.503 176.300 -0.112 0.000 1.066 482 M CA 1.992 57.138 55.300 -0.257 0.000 1.107 482 M CB -1.281 30.934 32.600 -0.643 0.000 1.356 482 M HN 0.422 nan 8.290 nan 0.000 0.406 483 Q N 0.683 120.419 119.800 -0.107 0.000 2.079 483 Q HA -0.106 4.233 4.340 -0.001 0.000 0.200 483 Q C 1.895 177.937 176.000 0.070 0.000 0.974 483 Q CA 1.767 57.565 55.803 -0.008 0.000 0.840 483 Q CB -0.052 28.665 28.738 -0.035 0.000 0.898 483 Q HN 0.434 nan 8.270 nan 0.000 0.430 484 K N -0.558 119.857 120.400 0.026 0.000 2.026 484 K HA -0.091 4.228 4.320 -0.001 0.000 0.208 484 K C 2.031 178.660 176.600 0.048 0.000 1.048 484 K CA 1.255 57.561 56.287 0.033 0.000 0.929 484 K CB -0.311 32.196 32.500 0.011 0.000 0.713 484 K HN 0.283 nan 8.250 nan 0.000 0.439 485 A N 0.445 123.293 122.820 0.047 0.000 1.933 485 A HA -0.208 4.112 4.320 -0.001 0.000 0.218 485 A C 2.067 179.728 177.584 0.130 0.000 1.175 485 A CA 1.362 53.434 52.037 0.059 0.000 0.628 485 A CB -0.747 18.275 19.000 0.037 0.000 0.814 485 A HN 0.450 nan 8.150 nan 0.000 0.444 486 Y N 1.180 121.528 120.300 0.081 0.000 2.145 486 Y HA -0.211 4.338 4.550 -0.001 0.000 0.286 486 Y C 1.893 177.904 175.900 0.185 0.000 1.145 486 Y CA 2.007 60.218 58.100 0.184 0.000 1.148 486 Y CB -0.217 38.296 38.460 0.088 0.000 0.981 486 Y HN 0.344 nan 8.280 nan 0.000 0.507 487 D N 0.031 120.492 120.400 0.101 0.000 2.104 487 D HA -0.215 4.425 4.640 -0.001 0.000 0.194 487 D C 2.273 178.532 176.300 -0.068 0.000 0.994 487 D CA 1.630 55.633 54.000 0.005 0.000 0.830 487 D CB -0.441 40.400 40.800 0.068 0.000 0.959 487 D HN 0.396 nan 8.370 nan 0.000 0.452 488 R N 0.567 121.044 120.500 -0.039 0.000 2.073 488 R HA -0.128 4.212 4.340 -0.001 0.000 0.234 488 R C 2.179 178.404 176.300 -0.125 0.000 1.134 488 R CA 1.417 57.480 56.100 -0.062 0.000 0.952 488 R CB -0.081 30.197 30.300 -0.036 0.000 0.850 488 R HN 0.172 nan 8.270 nan 0.000 0.433 489 Q N -1.273 118.436 119.800 -0.152 0.000 2.187 489 Q HA -0.026 4.313 4.340 -0.001 0.000 0.199 489 Q C -0.239 175.415 176.000 -0.576 0.000 0.957 489 Q CA 0.863 56.472 55.803 -0.324 0.000 0.857 489 Q CB 0.280 28.840 28.738 -0.297 0.000 0.929 489 Q HN 0.243 nan 8.270 nan 0.000 0.453 490 Y N 0.000 120.058 120.300 -0.403 0.000 2.660 490 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 490 Y CA 0.000 57.846 58.100 -0.424 0.000 1.940 490 Y CB 0.000 38.027 38.460 -0.721 0.000 1.050 490 Y HN 0.000 nan 8.280 nan 0.000 0.758