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 1hde_1_B DATA FIRST_RESID 1 DATA SEQUENCE MINAIRTPDQ RFSNLDQYPF SPNYLDDLPG YPGLRAHYLD EGNSDAEDVF DATA SEQUENCE LCLHGEPTWS YLYRKMIPVF AESGARVIAP DFFGFGKSDK PVDEEDYTFE DATA SEQUENCE FHRNFLLALI ERLDLRNITL VVQDWGGFLG LTLPMADPSR FKRLIIMNAC DATA SEQUENCE LMTDPVTQPA FSAFVTQPAD GWTAWKYDLV TPSDLRLDQF MKRWAPTLTE DATA SEQUENCE AEASAYAAPF PDTSYQAGVR KFPKMVAQRD QACIDISTEA ISFWQNDWNG DATA SEQUENCE QTFMAIGMKD KLLGPDVMYP MKALINGCPE PLEIADAGHF VQEFGEQVAR DATA SEQUENCE EALKHFAETE 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.245 176.300 -0.091 0.000 1.140 1 M CA 0.000 55.259 55.300 -0.069 0.000 0.988 1 M CB 0.000 32.565 32.600 -0.058 0.000 1.302 2 I N 1.971 122.476 120.570 -0.107 0.000 2.321 2 I HA 0.280 4.449 4.170 -0.001 0.000 0.291 2 I C -0.076 175.958 176.117 -0.138 0.000 0.998 2 I CA -0.482 60.728 61.300 -0.149 0.000 1.227 2 I CB 1.272 39.161 38.000 -0.185 0.000 1.368 2 I HN 0.456 nan 8.210 nan 0.000 0.466 3 N N 6.059 124.676 118.700 -0.139 0.000 2.420 3 N HA 0.423 5.162 4.740 -0.001 0.000 0.262 3 N C -1.031 174.398 175.510 -0.135 0.000 1.144 3 N CA 0.028 53.007 53.050 -0.120 0.000 0.952 3 N CB 1.012 39.435 38.487 -0.106 0.000 1.081 3 N HN 0.744 nan 8.380 nan 0.000 0.480 4 A N 3.535 126.286 122.820 -0.115 0.000 2.435 4 A HA 0.623 4.942 4.320 -0.001 0.000 0.304 4 A C -0.522 177.005 177.584 -0.094 0.000 1.064 4 A CA -0.730 51.245 52.037 -0.104 0.000 0.727 4 A CB 0.860 19.806 19.000 -0.091 0.000 1.284 4 A HN 0.626 nan 8.150 nan 0.000 0.415 5 I N -1.194 119.305 120.570 -0.119 0.000 2.822 5 I HA 0.812 4.981 4.170 -0.001 0.000 0.312 5 I C 0.141 176.249 176.117 -0.016 0.000 1.011 5 I CA -1.018 60.193 61.300 -0.148 0.000 1.105 5 I CB 1.250 38.997 38.000 -0.421 0.000 1.291 5 I HN 0.698 nan 8.210 nan 0.000 0.474 6 R N 1.211 121.749 120.500 0.063 0.000 2.534 6 R HA 0.586 4.925 4.340 -0.001 0.000 0.301 6 R C -1.067 175.415 176.300 0.303 0.000 0.961 6 R CA -0.430 55.767 56.100 0.163 0.000 0.871 6 R CB 1.469 31.822 30.300 0.089 0.000 1.170 6 R HN 0.875 nan 8.270 nan 0.000 0.446 7 T N 6.476 121.198 114.554 0.279 0.000 2.870 7 T HA 0.168 4.518 4.350 -0.001 0.000 0.300 7 T C -2.212 172.518 174.700 0.050 0.000 0.989 7 T CA -0.822 61.335 62.100 0.096 0.000 1.139 7 T CB 0.800 69.615 68.868 -0.088 0.000 0.920 7 T HN 0.492 nan 8.240 nan 0.000 0.537 8 P HA 0.063 nan 4.420 nan 0.000 0.260 8 P C 0.101 177.374 177.300 -0.046 0.000 1.185 8 P CA -0.035 63.038 63.100 -0.045 0.000 0.763 8 P CB 0.614 32.263 31.700 -0.086 0.000 0.776 9 D N 2.296 122.733 120.400 0.063 0.000 2.228 9 D HA -0.209 4.431 4.640 -0.001 0.000 0.203 9 D C 1.811 178.151 176.300 0.067 0.000 0.988 9 D CA 1.364 55.462 54.000 0.163 0.000 0.864 9 D CB -0.233 40.648 40.800 0.135 0.000 0.928 9 D HN 0.449 nan 8.370 nan 0.000 0.469 10 Q N 0.748 120.529 119.800 -0.032 0.000 2.152 10 Q HA -0.185 4.154 4.340 -0.001 0.000 0.206 10 Q C 1.671 177.572 176.000 -0.165 0.000 0.985 10 Q CA 1.473 57.233 55.803 -0.071 0.000 0.863 10 Q CB -0.019 28.672 28.738 -0.079 0.000 0.904 10 Q HN 0.110 nan 8.270 nan 0.000 0.422 11 R N -0.702 119.585 120.500 -0.354 0.000 2.193 11 R HA -0.102 4.237 4.340 -0.001 0.000 0.229 11 R C 0.955 176.873 176.300 -0.637 0.000 1.110 11 R CA 0.956 56.699 56.100 -0.595 0.000 0.988 11 R CB -0.294 29.434 30.300 -0.953 0.000 0.871 11 R HN 0.347 nan 8.270 nan 0.000 0.458 12 F N -0.162 119.719 119.950 -0.116 0.000 2.639 12 F HA 0.238 4.765 4.527 -0.001 0.000 0.300 12 F C 1.874 177.672 175.800 -0.004 0.000 1.109 12 F CA -0.260 57.700 58.000 -0.067 0.000 1.335 12 F CB 0.140 39.106 39.000 -0.057 0.000 1.014 12 F HN -0.178 nan 8.300 nan 0.000 0.537 13 S N 0.123 115.867 115.700 0.074 0.000 2.382 13 S HA -0.212 4.257 4.470 -0.001 0.000 0.228 13 S C 1.169 175.810 174.600 0.067 0.000 1.027 13 S CA 1.348 59.588 58.200 0.066 0.000 0.991 13 S CB -0.336 62.872 63.200 0.012 0.000 0.823 13 S HN 0.485 nan 8.310 nan 0.000 0.469 14 N N 0.417 119.148 118.700 0.051 0.000 2.672 14 N HA 0.295 5.034 4.740 -0.001 0.000 0.295 14 N C -1.349 174.196 175.510 0.059 0.000 1.924 14 N CA -0.111 52.968 53.050 0.047 0.000 0.851 14 N CB 0.298 38.796 38.487 0.018 0.000 1.281 14 N HN 0.111 nan 8.380 nan 0.000 0.494 15 L N 0.895 122.185 121.223 0.111 0.000 2.360 15 L HA 0.194 4.533 4.340 -0.001 0.000 0.276 15 L C 0.439 177.411 176.870 0.171 0.000 1.121 15 L CA -0.362 54.557 54.840 0.131 0.000 0.845 15 L CB 0.415 42.595 42.059 0.201 0.000 1.143 15 L HN 0.383 nan 8.230 nan 0.000 0.452 16 D N 3.238 123.730 120.400 0.154 0.000 2.487 16 D HA -0.019 4.620 4.640 -0.001 0.000 0.243 16 D C 0.424 176.826 176.300 0.169 0.000 1.154 16 D CA 0.527 54.610 54.000 0.138 0.000 0.876 16 D CB 0.457 41.331 40.800 0.123 0.000 1.161 16 D HN 0.548 nan 8.370 nan 0.000 0.478 17 Q N 1.274 121.100 119.800 0.042 0.000 2.468 17 Q HA -0.302 4.037 4.340 -0.001 0.000 0.256 17 Q C -0.863 175.090 176.000 -0.078 0.000 0.984 17 Q CA 0.672 56.442 55.803 -0.054 0.000 1.110 17 Q CB -1.660 27.028 28.738 -0.084 0.000 1.527 17 Q HN 0.629 nan 8.270 nan 0.000 0.535 18 Y N 0.835 121.043 120.300 -0.154 0.000 2.836 18 Y HA 0.270 4.819 4.550 -0.001 0.000 0.359 18 Y C -1.693 173.970 175.900 -0.395 0.000 1.060 18 Y CA -2.107 55.859 58.100 -0.224 0.000 1.161 18 Y CB 1.041 39.582 38.460 0.134 0.000 1.225 18 Y HN -0.017 nan 8.280 nan 0.000 0.621 19 P HA 0.036 nan 4.420 nan 0.000 0.253 19 P C -0.621 176.316 177.300 -0.605 0.000 1.260 19 P CA 0.156 62.901 63.100 -0.593 0.000 0.800 19 P CB -0.149 31.242 31.700 -0.515 0.000 1.162 20 F N 1.124 120.859 119.950 -0.358 0.000 2.472 20 F HA 0.208 4.735 4.527 -0.001 0.000 0.364 20 F C 1.551 177.229 175.800 -0.203 0.000 1.090 20 F CA -0.691 57.094 58.000 -0.358 0.000 1.188 20 F CB 0.059 38.699 39.000 -0.600 0.000 1.105 20 F HN -0.173 nan 8.300 nan 0.000 0.536 21 S N 5.475 121.194 115.700 0.031 0.000 2.549 21 S HA 0.277 4.746 4.470 -0.001 0.000 0.283 21 S C -2.232 172.361 174.600 -0.011 0.000 1.320 21 S CA -1.298 56.912 58.200 0.016 0.000 1.058 21 S CB 0.188 63.387 63.200 -0.003 0.000 0.882 21 S HN 0.421 nan 8.310 nan 0.000 0.498 22 P HA 0.331 nan 4.420 nan 0.000 0.285 22 P C -1.376 175.684 177.300 -0.399 0.000 1.259 22 P CA -0.591 62.446 63.100 -0.104 0.000 0.794 22 P CB 0.503 32.156 31.700 -0.079 0.000 0.940 23 N N 1.847 120.110 118.700 -0.728 0.000 2.319 23 N HA 0.544 5.283 4.740 -0.001 0.000 0.305 23 N C -1.023 173.967 175.510 -0.867 0.000 1.103 23 N CA -0.382 52.175 53.050 -0.821 0.000 0.815 23 N CB 1.178 38.911 38.487 -1.257 0.000 1.288 23 N HN 0.362 nan 8.380 nan 0.000 0.493 24 Y N 0.046 120.311 120.300 -0.059 0.000 2.605 24 Y HA 0.651 5.200 4.550 -0.001 0.000 0.343 24 Y C -0.814 175.243 175.900 0.261 0.000 1.036 24 Y CA -0.951 57.241 58.100 0.153 0.000 1.065 24 Y CB 1.757 40.311 38.460 0.156 0.000 1.288 24 Y HN 0.152 nan 8.280 nan 0.000 0.481 25 L N 1.683 123.189 121.223 0.471 0.000 2.541 25 L HA 0.320 4.659 4.340 -0.001 0.000 0.266 25 L C -1.153 175.914 176.870 0.329 0.000 0.966 25 L CA -0.551 54.498 54.840 0.349 0.000 0.871 25 L CB 1.830 44.066 42.059 0.295 0.000 1.232 25 L HN 0.785 nan 8.230 nan 0.000 0.408 26 D N -1.363 119.190 120.400 0.255 0.000 2.462 26 D HA 0.073 4.712 4.640 -0.001 0.000 0.221 26 D C 0.135 176.549 176.300 0.190 0.000 1.173 26 D CA -0.272 53.864 54.000 0.227 0.000 0.831 26 D CB 0.391 41.286 40.800 0.158 0.000 1.001 26 D HN 0.431 nan 8.370 nan 0.000 0.499 27 D N 0.241 120.759 120.400 0.197 0.000 2.740 27 D HA 0.103 4.742 4.640 -0.001 0.000 0.301 27 D C -0.119 176.284 176.300 0.173 0.000 1.408 27 D CA -0.426 53.668 54.000 0.157 0.000 0.808 27 D CB -0.428 40.443 40.800 0.118 0.000 1.128 27 D HN 0.191 nan 8.370 nan 0.000 0.465 28 L N 0.620 121.992 121.223 0.249 0.000 2.380 28 L HA 0.340 4.680 4.340 -0.001 0.000 0.273 28 L C -2.062 174.975 176.870 0.280 0.000 1.138 28 L CA -1.804 53.205 54.840 0.282 0.000 0.832 28 L CB 0.677 42.976 42.059 0.400 0.000 1.124 28 L HN -0.283 nan 8.230 nan 0.000 0.454 29 P HA 0.062 nan 4.420 nan 0.000 0.260 29 P C 0.677 178.022 177.300 0.074 0.000 1.207 29 P CA 0.648 63.822 63.100 0.123 0.000 0.780 29 P CB 0.586 32.342 31.700 0.094 0.000 0.789 30 G N 2.582 111.332 108.800 -0.083 0.000 2.213 30 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.226 30 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.226 30 G C -0.078 174.400 174.900 -0.704 0.000 0.992 30 G CA -0.438 44.416 45.100 -0.409 0.000 0.632 30 G HN 0.471 nan 8.290 nan 0.000 0.511 31 Y N 1.755 122.099 120.300 0.073 0.000 2.480 31 Y HA 0.404 4.953 4.550 -0.001 0.000 0.356 31 Y C -2.108 173.807 175.900 0.025 0.000 0.922 31 Y CA -1.982 56.138 58.100 0.033 0.000 1.146 31 Y CB 1.104 39.650 38.460 0.142 0.000 1.185 31 Y HN 0.119 nan 8.280 nan 0.000 0.624 32 P HA 0.161 nan 4.420 nan 0.000 0.271 32 P C 1.004 178.321 177.300 0.028 0.000 1.220 32 P CA 1.157 64.287 63.100 0.051 0.000 0.768 32 P CB 1.808 33.517 31.700 0.016 0.000 0.848 33 G N 2.962 111.790 108.800 0.047 0.000 2.304 33 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.252 33 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.252 33 G C 0.097 175.012 174.900 0.026 0.000 1.014 33 G CA -0.117 44.998 45.100 0.026 0.000 0.619 33 G HN 0.510 nan 8.290 nan 0.000 0.525 34 L N 1.529 122.755 121.223 0.006 0.000 2.369 34 L HA 0.374 4.713 4.340 -0.001 0.000 0.279 34 L C 1.104 178.127 176.870 0.254 0.000 1.108 34 L CA -0.482 54.328 54.840 -0.050 0.000 0.852 34 L CB 0.918 42.647 42.059 -0.550 0.000 1.169 34 L HN 0.258 nan 8.230 nan 0.000 0.452 35 R N 3.358 124.048 120.500 0.317 0.000 2.221 35 R HA 0.548 4.887 4.340 -0.001 0.000 0.327 35 R C -0.488 176.171 176.300 0.599 0.000 1.033 35 R CA -0.377 55.962 56.100 0.399 0.000 0.887 35 R CB 1.041 31.471 30.300 0.217 0.000 1.057 35 R HN 0.707 nan 8.270 nan 0.000 0.455 36 A N 4.645 127.792 122.820 0.545 0.000 2.292 36 A HA 0.223 4.542 4.320 -0.001 0.000 0.319 36 A C -1.031 176.833 177.584 0.466 0.000 1.206 36 A CA -0.618 51.620 52.037 0.335 0.000 0.835 36 A CB 0.683 19.816 19.000 0.222 0.000 1.164 36 A HN 0.880 nan 8.150 nan 0.000 0.505 37 H N 2.452 121.704 119.070 0.303 0.000 2.458 37 H HA 0.573 5.128 4.556 -0.001 0.000 0.330 37 H C -1.679 173.756 175.328 0.178 0.000 1.111 37 H CA -0.167 55.977 56.048 0.160 0.000 1.245 37 H CB 1.038 30.862 29.762 0.103 0.000 1.456 37 H HN 0.713 nan 8.280 nan 0.000 0.488 38 Y N 2.963 122.851 120.300 -0.688 0.000 2.534 38 Y HA 0.446 4.996 4.550 -0.001 0.000 0.345 38 Y C -1.817 173.738 175.900 -0.574 0.000 1.031 38 Y CA -1.437 56.356 58.100 -0.511 0.000 1.022 38 Y CB 0.886 39.206 38.460 -0.234 0.000 1.292 38 Y HN 0.404 nan 8.280 nan 0.000 0.459 39 L N 3.072 124.100 121.223 -0.325 0.000 2.350 39 L HA 0.401 4.740 4.340 -0.001 0.000 0.275 39 L C -0.612 176.178 176.870 -0.133 0.000 1.099 39 L CA -0.298 54.365 54.840 -0.294 0.000 0.808 39 L CB 1.002 42.910 42.059 -0.253 0.000 1.149 39 L HN 0.737 nan 8.230 nan 0.000 0.442 40 D N 2.223 122.529 120.400 -0.157 0.000 2.405 40 D HA 0.201 4.841 4.640 -0.001 0.000 0.264 40 D C -0.553 175.711 176.300 -0.059 0.000 1.240 40 D CA -0.271 53.711 54.000 -0.029 0.000 0.893 40 D CB 0.710 41.545 40.800 0.058 0.000 1.198 40 D HN 0.344 nan 8.370 nan 0.000 0.514 41 E N 0.331 120.482 120.200 -0.081 0.000 2.239 41 E HA 0.678 5.028 4.350 -0.001 0.000 0.261 41 E C 0.893 177.474 176.600 -0.033 0.000 1.016 41 E CA -0.572 55.786 56.400 -0.070 0.000 0.882 41 E CB 1.336 30.949 29.700 -0.146 0.000 1.190 41 E HN 0.560 nan 8.360 nan 0.000 0.415 42 G N 1.674 110.465 108.800 -0.016 0.000 2.782 42 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.228 42 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.228 42 G C -0.091 174.813 174.900 0.006 0.000 1.372 42 G CA -0.177 44.923 45.100 0.000 0.000 0.862 42 G HN 0.565 nan 8.290 nan 0.000 0.547 43 N N 0.203 118.910 118.700 0.013 0.000 2.434 43 N HA 0.294 5.033 4.740 -0.001 0.000 0.268 43 N C 1.892 177.407 175.510 0.008 0.000 1.256 43 N CA 1.086 54.143 53.050 0.010 0.000 0.914 43 N CB 0.957 39.452 38.487 0.013 0.000 1.088 43 N HN 1.263 nan 8.380 nan 0.000 0.478 44 S N 2.000 117.703 115.700 0.005 0.000 2.442 44 S HA -0.093 4.376 4.470 -0.001 0.000 0.236 44 S C 0.559 175.157 174.600 -0.004 0.000 1.007 44 S CA 0.857 59.059 58.200 0.003 0.000 0.965 44 S CB 0.033 63.237 63.200 0.006 0.000 0.773 44 S HN 0.643 nan 8.310 nan 0.000 0.504 45 D N 1.989 122.387 120.400 -0.003 0.000 2.358 45 D HA 0.396 5.035 4.640 -0.001 0.000 0.224 45 D C 0.551 176.846 176.300 -0.009 0.000 1.123 45 D CA 0.194 54.189 54.000 -0.008 0.000 0.833 45 D CB 0.459 41.255 40.800 -0.006 0.000 0.946 45 D HN 0.560 nan 8.370 nan 0.000 0.505 46 A N 0.918 123.736 122.820 -0.004 0.000 2.483 46 A HA -0.011 4.309 4.320 -0.001 0.000 0.238 46 A C 1.396 178.970 177.584 -0.016 0.000 1.070 46 A CA -0.007 52.031 52.037 0.001 0.000 0.770 46 A CB 0.740 19.753 19.000 0.022 0.000 1.008 46 A HN 0.059 nan 8.150 nan 0.000 0.497 47 E N 0.435 120.625 120.200 -0.017 0.000 2.072 47 E HA -0.122 4.227 4.350 -0.001 0.000 0.191 47 E C -0.408 176.156 176.600 -0.061 0.000 0.985 47 E CA 1.014 57.392 56.400 -0.038 0.000 0.801 47 E CB 0.033 29.714 29.700 -0.033 0.000 0.750 47 E HN 0.702 nan 8.360 nan 0.000 0.452 48 D N 0.314 120.688 120.400 -0.044 0.000 2.177 48 D HA 0.228 4.868 4.640 -0.001 0.000 0.247 48 D C -0.696 175.568 176.300 -0.060 0.000 1.063 48 D CA -0.249 53.695 54.000 -0.093 0.000 0.867 48 D CB 2.312 43.063 40.800 -0.082 0.000 1.168 48 D HN -0.231 nan 8.370 nan 0.000 0.445 49 V N 2.852 122.668 119.914 -0.163 0.000 2.378 49 V HA 0.287 4.406 4.120 -0.001 0.000 0.288 49 V C -0.550 175.408 176.094 -0.227 0.000 1.016 49 V CA -0.804 61.429 62.300 -0.113 0.000 0.840 49 V CB 0.811 32.547 31.823 -0.145 0.000 0.994 49 V HN 0.321 nan 8.190 nan 0.000 0.431 50 F N 5.233 125.058 119.950 -0.209 0.000 2.390 50 F HA 0.446 4.973 4.527 -0.001 0.000 0.361 50 F C 0.051 175.715 175.800 -0.228 0.000 1.124 50 F CA -0.598 57.230 58.000 -0.286 0.000 1.149 50 F CB 1.222 39.914 39.000 -0.513 0.000 1.160 50 F HN 0.312 nan 8.300 nan 0.000 0.501 51 L N 5.497 126.670 121.223 -0.083 0.000 2.282 51 L HA 0.388 4.727 4.340 -0.001 0.000 0.287 51 L C -0.795 175.994 176.870 -0.135 0.000 1.075 51 L CA -0.174 54.602 54.840 -0.106 0.000 0.839 51 L CB -0.256 41.745 42.059 -0.096 0.000 1.219 51 L HN 0.626 nan 8.230 nan 0.000 0.434 52 C N 6.196 125.351 119.300 -0.242 0.000 2.281 52 C HA 0.424 4.883 4.460 -0.001 0.000 0.336 52 C C 0.301 175.036 174.990 -0.425 0.000 1.217 52 C CA -1.092 57.609 59.018 -0.528 0.000 1.730 52 C CB -0.799 26.320 27.740 -1.036 0.000 2.338 52 C HN 0.596 nan 8.230 nan 0.000 0.521 53 L N 4.829 125.941 121.223 -0.185 0.000 2.264 53 L HA 0.409 4.748 4.340 -0.001 0.000 0.289 53 L C 0.584 177.624 176.870 0.283 0.000 1.044 53 L CA -0.230 54.597 54.840 -0.021 0.000 0.807 53 L CB 0.616 42.681 42.059 0.010 0.000 1.192 53 L HN 0.814 nan 8.230 nan 0.000 0.425 54 H N 1.406 120.663 119.070 0.311 0.000 2.490 54 H HA 0.784 5.339 4.556 -0.001 0.000 0.354 54 H C 0.189 175.743 175.328 0.376 0.000 1.365 54 H CA -0.194 56.107 56.048 0.421 0.000 1.413 54 H CB 1.197 31.212 29.762 0.422 0.000 1.631 54 H HN 0.530 nan 8.280 nan 0.000 0.607 55 G N -0.820 108.314 108.800 0.558 0.000 3.302 55 G HA2 0.343 4.302 3.960 -0.001 0.000 0.170 55 G HA3 0.343 4.302 3.960 -0.001 0.000 0.170 55 G C -0.933 174.260 174.900 0.487 0.000 1.119 55 G CA -0.614 44.708 45.100 0.369 0.000 0.826 55 G HN 0.736 nan 8.290 nan 0.000 0.646 56 E N 1.096 121.583 120.200 0.479 0.000 2.171 56 E HA 0.557 4.906 4.350 -0.001 0.000 0.271 56 E C -2.442 174.623 176.600 0.775 0.000 0.916 56 E CA -2.323 54.448 56.400 0.617 0.000 0.774 56 E CB 2.383 32.472 29.700 0.649 0.000 1.128 56 E HN 0.153 nan 8.360 nan 0.000 0.403 57 P HA 0.187 nan 4.420 nan 0.000 0.209 57 P C -0.773 176.890 177.300 0.605 0.000 1.872 57 P CA -0.322 63.079 63.100 0.502 0.000 1.020 57 P CB 0.328 32.098 31.700 0.117 0.000 1.813 58 T N -2.719 112.184 114.554 0.582 0.000 2.864 58 T HA 0.755 5.105 4.350 -0.001 0.000 0.276 58 T C -0.149 174.766 174.700 0.359 0.000 1.006 58 T CA -0.494 61.954 62.100 0.580 0.000 0.970 58 T CB 1.177 70.330 68.868 0.475 0.000 1.420 58 T HN 0.307 nan 8.240 nan 0.000 0.601 59 W N -1.453 119.813 121.300 -0.055 0.000 3.019 59 W HA 0.470 5.130 4.660 -0.001 0.000 0.412 59 W C 1.063 177.614 176.519 0.055 0.000 1.087 59 W CA -0.129 56.973 57.345 -0.405 0.000 1.170 59 W CB 0.204 29.645 29.460 -0.032 0.000 1.483 59 W HN 0.753 nan 8.180 nan 0.000 0.606 60 S N -0.406 115.492 115.700 0.330 0.000 2.500 60 S HA -0.264 4.205 4.470 -0.001 0.000 0.239 60 S C 1.474 176.096 174.600 0.035 0.000 0.989 60 S CA 1.392 59.767 58.200 0.291 0.000 0.951 60 S CB -0.946 62.483 63.200 0.382 0.000 0.759 60 S HN 0.429 nan 8.310 nan 0.000 0.523 61 Y N 2.122 121.908 120.300 -0.857 0.000 2.193 61 Y HA -0.156 4.394 4.550 -0.001 0.000 0.285 61 Y C 2.063 177.747 175.900 -0.360 0.000 1.166 61 Y CA 1.453 58.990 58.100 -0.937 0.000 1.181 61 Y CB -0.567 36.749 38.460 -1.907 0.000 0.976 61 Y HN 0.335 nan 8.280 nan 0.000 0.520 62 L N -0.785 120.348 121.223 -0.150 0.000 2.261 62 L HA -0.242 4.097 4.340 -0.001 0.000 0.216 62 L C 1.222 177.917 176.870 -0.292 0.000 1.114 62 L CA 1.798 56.588 54.840 -0.082 0.000 0.777 62 L CB -0.827 41.233 42.059 0.002 0.000 0.910 62 L HN 0.299 nan 8.230 nan 0.000 0.440 63 Y N -0.552 119.728 120.300 -0.033 0.000 2.457 63 Y HA 0.094 4.643 4.550 -0.001 0.000 0.263 63 Y C 2.195 178.012 175.900 -0.139 0.000 1.164 63 Y CA 0.275 58.345 58.100 -0.049 0.000 1.274 63 Y CB -0.348 38.108 38.460 -0.006 0.000 1.097 63 Y HN 0.271 nan 8.280 nan 0.000 0.523 64 R N 0.520 120.975 120.500 -0.075 0.000 2.139 64 R HA -0.194 4.145 4.340 -0.001 0.000 0.243 64 R C 1.291 177.575 176.300 -0.027 0.000 1.145 64 R CA 1.818 57.911 56.100 -0.011 0.000 0.976 64 R CB -0.433 29.783 30.300 -0.140 0.000 0.866 64 R HN 0.220 nan 8.270 nan 0.000 0.449 65 K N 0.033 120.372 120.400 -0.101 0.000 2.305 65 K HA 0.099 4.419 4.320 -0.001 0.000 0.199 65 K C 2.015 178.515 176.600 -0.167 0.000 1.047 65 K CA 1.153 57.372 56.287 -0.114 0.000 0.976 65 K CB 0.098 32.526 32.500 -0.121 0.000 0.765 65 K HN 0.260 nan 8.250 nan 0.000 0.474 66 M N 0.046 119.531 119.600 -0.190 0.000 2.447 66 M HA 0.056 4.535 4.480 -0.001 0.000 0.266 66 M C 1.970 177.937 176.300 -0.556 0.000 1.120 66 M CA 0.881 55.921 55.300 -0.434 0.000 1.166 66 M CB -0.058 32.376 32.600 -0.277 0.000 1.349 66 M HN 0.020 nan 8.290 nan 0.000 0.463 67 I N 0.870 121.286 120.570 -0.256 0.000 2.118 67 I HA -0.248 3.921 4.170 -0.001 0.000 0.241 67 I C -0.635 175.359 176.117 -0.205 0.000 1.070 67 I CA 1.832 62.994 61.300 -0.231 0.000 1.327 67 I CB -1.723 35.997 38.000 -0.467 0.000 1.034 67 I HN 0.143 nan 8.210 nan 0.000 0.405 68 P HA -0.142 nan 4.420 nan 0.000 0.215 68 P C 1.941 179.160 177.300 -0.134 0.000 1.157 68 P CA 1.290 64.348 63.100 -0.071 0.000 0.874 68 P CB -0.011 31.678 31.700 -0.019 0.000 0.790 69 V N -1.257 118.511 119.914 -0.243 0.000 2.261 69 V HA -0.253 3.867 4.120 -0.001 0.000 0.246 69 V C 2.224 178.187 176.094 -0.219 0.000 1.047 69 V CA 1.877 64.017 62.300 -0.266 0.000 1.015 69 V CB -1.426 30.155 31.823 -0.403 0.000 0.642 69 V HN -0.048 nan 8.190 nan 0.000 0.446 70 F N 0.983 120.749 119.950 -0.306 0.000 2.102 70 F HA -0.121 4.405 4.527 -0.001 0.000 0.298 70 F C 2.494 178.094 175.800 -0.334 0.000 1.105 70 F CA 1.045 58.725 58.000 -0.534 0.000 1.239 70 F CB -1.557 36.904 39.000 -0.900 0.000 0.991 70 F HN 0.111 nan 8.300 nan 0.000 0.474 71 A N -0.283 122.517 122.820 -0.032 0.000 1.908 71 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 71 A C 2.052 179.631 177.584 -0.009 0.000 1.181 71 A CA 1.759 53.784 52.037 -0.019 0.000 0.627 71 A CB -0.713 18.269 19.000 -0.029 0.000 0.818 71 A HN 0.251 nan 8.150 nan 0.000 0.445 72 E N 0.251 120.437 120.200 -0.022 0.000 2.338 72 E HA -0.090 4.259 4.350 -0.001 0.000 0.197 72 E C 2.163 178.766 176.600 0.004 0.000 1.007 72 E CA 1.090 57.483 56.400 -0.013 0.000 0.849 72 E CB -0.302 29.381 29.700 -0.028 0.000 0.774 72 E HN 0.759 nan 8.360 nan 0.000 0.506 73 S N -1.755 113.955 115.700 0.017 0.000 2.603 73 S HA 0.145 4.614 4.470 -0.001 0.000 0.220 73 S C 1.587 176.223 174.600 0.060 0.000 0.967 73 S CA 0.592 58.820 58.200 0.048 0.000 0.920 73 S CB 0.246 63.497 63.200 0.085 0.000 0.773 73 S HN 0.290 nan 8.310 nan 0.000 0.529 74 G N 0.136 108.965 108.800 0.049 0.000 2.179 74 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.220 74 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.220 74 G C 0.210 175.151 174.900 0.068 0.000 0.990 74 G CA -0.142 44.987 45.100 0.049 0.000 0.646 74 G HN 1.175 nan 8.290 nan 0.000 0.517 75 A N -0.061 122.819 122.820 0.100 0.000 2.304 75 A HA 0.802 5.121 4.320 -0.001 0.000 0.271 75 A C 0.633 178.279 177.584 0.104 0.000 1.091 75 A CA 0.188 52.319 52.037 0.157 0.000 0.812 75 A CB 0.535 19.741 19.000 0.344 0.000 1.056 75 A HN 0.674 nan 8.150 nan 0.000 0.489 76 R N 0.591 121.156 120.500 0.109 0.000 2.349 76 R HA 0.530 4.870 4.340 -0.001 0.000 0.299 76 R C -1.587 174.767 176.300 0.090 0.000 1.027 76 R CA -0.261 55.875 56.100 0.061 0.000 0.958 76 R CB 0.773 31.087 30.300 0.022 0.000 1.047 76 R HN 0.458 nan 8.270 nan 0.000 0.468 77 V N 6.450 126.383 119.914 0.031 0.000 2.407 77 V HA 0.376 4.495 4.120 -0.001 0.000 0.291 77 V C -0.174 175.899 176.094 -0.035 0.000 1.018 77 V CA -0.843 61.464 62.300 0.011 0.000 0.842 77 V CB 1.516 33.318 31.823 -0.034 0.000 0.996 77 V HN 0.625 nan 8.190 nan 0.000 0.426 78 I N 4.131 124.677 120.570 -0.039 0.000 2.339 78 I HA 0.658 4.828 4.170 -0.001 0.000 0.290 78 I C 0.395 176.460 176.117 -0.086 0.000 0.994 78 I CA -0.370 60.904 61.300 -0.042 0.000 1.191 78 I CB 1.582 39.530 38.000 -0.087 0.000 1.343 78 I HN 0.725 nan 8.210 nan 0.000 0.458 79 A N 9.609 132.392 122.820 -0.061 0.000 2.842 79 A HA 0.617 4.936 4.320 -0.001 0.000 0.339 79 A C -2.557 175.045 177.584 0.029 0.000 1.177 79 A CA -1.243 50.752 52.037 -0.070 0.000 0.797 79 A CB 0.360 19.304 19.000 -0.093 0.000 1.094 79 A HN 0.415 nan 8.150 nan 0.000 0.474 80 P HA 0.272 nan 4.420 nan 0.000 0.275 80 P C -1.101 176.291 177.300 0.153 0.000 1.228 80 P CA 0.056 63.199 63.100 0.073 0.000 0.786 80 P CB 1.334 33.007 31.700 -0.046 0.000 0.927 81 D N 1.986 122.547 120.400 0.269 0.000 2.233 81 D HA 0.303 4.942 4.640 -0.001 0.000 0.240 81 D C 0.174 176.621 176.300 0.245 0.000 1.074 81 D CA -0.182 54.071 54.000 0.421 0.000 0.838 81 D CB 0.238 41.346 40.800 0.514 0.000 1.124 81 D HN 0.155 nan 8.370 nan 0.000 0.475 82 F N 1.455 121.659 119.950 0.423 0.000 2.563 82 F HA 0.075 4.601 4.527 -0.001 0.000 0.363 82 F C 1.085 177.020 175.800 0.226 0.000 1.123 82 F CA -0.166 57.925 58.000 0.150 0.000 1.307 82 F CB 0.095 39.210 39.000 0.192 0.000 1.115 82 F HN 0.206 nan 8.300 nan 0.000 0.592 83 F N 1.611 121.735 119.950 0.289 0.000 2.607 83 F HA 0.315 4.841 4.527 -0.002 0.000 0.374 83 F C 1.353 177.530 175.800 0.628 0.000 1.104 83 F CA 0.793 58.990 58.000 0.328 0.000 1.296 83 F CB -0.274 38.837 39.000 0.185 0.000 1.085 83 F HN 0.664 nan 8.300 nan 0.000 0.584 84 G N 1.674 110.834 108.800 0.600 0.000 2.213 84 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.236 84 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.236 84 G C -0.281 174.470 174.900 -0.249 0.000 0.991 84 G CA -0.417 44.796 45.100 0.189 0.000 0.629 84 G HN 0.468 nan 8.290 nan 0.000 0.517 85 F N -0.210 119.986 119.950 0.410 0.000 2.588 85 F HA 0.627 5.154 4.527 -0.001 0.000 0.314 85 F C 1.290 177.151 175.800 0.101 0.000 1.069 85 F CA 0.360 58.577 58.000 0.361 0.000 0.931 85 F CB 1.552 40.892 39.000 0.566 0.000 1.260 85 F HN 0.924 nan 8.300 nan 0.000 0.465 86 G N 2.107 110.837 108.800 -0.117 0.000 2.629 86 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.313 86 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.313 86 G C 0.553 175.042 174.900 -0.685 0.000 1.217 86 G CA 0.574 45.246 45.100 -0.714 0.000 0.994 86 G HN 0.672 nan 8.290 nan 0.000 0.549 87 K N 0.770 120.856 120.400 -0.524 0.000 2.440 87 K HA 0.425 4.744 4.320 -0.001 0.000 0.206 87 K C 0.507 177.134 176.600 0.045 0.000 1.025 87 K CA 0.171 56.172 56.287 -0.477 0.000 1.135 87 K CB 0.700 32.607 32.500 -0.987 0.000 0.856 87 K HN 0.255 nan 8.250 nan 0.000 0.502 88 S N 1.285 117.090 115.700 0.175 0.000 2.646 88 S HA 0.150 4.619 4.470 -0.001 0.000 0.276 88 S C -0.190 174.613 174.600 0.339 0.000 1.222 88 S CA -0.734 57.649 58.200 0.306 0.000 1.014 88 S CB 0.970 64.313 63.200 0.238 0.000 0.991 88 S HN 0.123 nan 8.310 nan 0.000 0.533 89 D N 1.892 122.555 120.400 0.439 0.000 2.423 89 D HA 0.145 4.784 4.640 -0.001 0.000 0.238 89 D C -0.207 176.299 176.300 0.343 0.000 1.142 89 D CA 0.543 54.735 54.000 0.320 0.000 0.884 89 D CB 0.379 41.310 40.800 0.218 0.000 1.199 89 D HN 0.307 nan 8.370 nan 0.000 0.438 90 K N 2.455 122.978 120.400 0.205 0.000 2.527 90 K HA 0.308 4.628 4.320 -0.001 0.000 0.240 90 K C -2.547 174.102 176.600 0.081 0.000 0.989 90 K CA -1.694 54.717 56.287 0.206 0.000 0.985 90 K CB 1.746 34.370 32.500 0.206 0.000 1.221 90 K HN 0.082 nan 8.250 nan 0.000 0.458 91 P HA -0.166 nan 4.420 nan 0.000 0.259 91 P C 1.069 178.339 177.300 -0.050 0.000 1.163 91 P CA 0.140 63.139 63.100 -0.167 0.000 0.760 91 P CB 0.502 31.845 31.700 -0.595 0.000 0.762 92 V N 0.360 120.215 119.914 -0.099 0.000 3.041 92 V HA 0.007 4.126 4.120 -0.001 0.000 0.260 92 V C 0.412 176.478 176.094 -0.047 0.000 1.105 92 V CA 1.252 63.507 62.300 -0.075 0.000 1.125 92 V CB -0.616 31.140 31.823 -0.112 0.000 0.730 92 V HN 0.293 nan 8.190 nan 0.000 0.479 93 D N 0.983 121.334 120.400 -0.082 0.000 2.280 93 D HA 0.263 4.902 4.640 -0.001 0.000 0.236 93 D C 0.785 177.086 176.300 0.002 0.000 1.082 93 D CA -0.165 53.794 54.000 -0.067 0.000 0.834 93 D CB 1.959 42.687 40.800 -0.120 0.000 1.100 93 D HN 0.359 nan 8.370 nan 0.000 0.486 94 E N 0.979 121.225 120.200 0.077 0.000 2.118 94 E HA -0.208 4.141 4.350 -0.001 0.000 0.195 94 E C 0.884 177.565 176.600 0.135 0.000 0.992 94 E CA 0.998 57.501 56.400 0.172 0.000 0.804 94 E CB 0.306 30.034 29.700 0.047 0.000 0.741 94 E HN 0.279 nan 8.360 nan 0.000 0.458 95 E N 0.694 120.900 120.200 0.011 0.000 2.338 95 E HA -0.125 4.224 4.350 -0.001 0.000 0.197 95 E C 1.085 177.609 176.600 -0.128 0.000 1.007 95 E CA 0.586 56.968 56.400 -0.028 0.000 0.849 95 E CB -0.105 29.575 29.700 -0.034 0.000 0.774 95 E HN 0.213 nan 8.360 nan 0.000 0.506 96 D N -0.817 119.410 120.400 -0.288 0.000 2.363 96 D HA -0.096 4.543 4.640 -0.001 0.000 0.220 96 D C -0.339 175.384 176.300 -0.961 0.000 0.994 96 D CA 0.419 54.061 54.000 -0.597 0.000 0.890 96 D CB 0.073 40.417 40.800 -0.760 0.000 0.906 96 D HN 0.239 nan 8.370 nan 0.000 0.530 97 Y N 0.645 120.649 120.300 -0.493 0.000 2.385 97 Y HA 0.267 4.817 4.550 -0.001 0.000 0.341 97 Y C 1.026 176.869 175.900 -0.095 0.000 0.965 97 Y CA -0.589 57.258 58.100 -0.421 0.000 1.180 97 Y CB 1.134 39.461 38.460 -0.221 0.000 1.139 97 Y HN -0.260 nan 8.280 nan 0.000 0.502 98 T N -1.364 113.308 114.554 0.196 0.000 2.864 98 T HA 0.301 4.650 4.350 -0.001 0.000 0.289 98 T C 0.457 175.442 174.700 0.474 0.000 1.082 98 T CA -0.720 61.577 62.100 0.329 0.000 1.009 98 T CB 0.939 69.972 68.868 0.275 0.000 1.234 98 T HN 0.372 nan 8.240 nan 0.000 0.526 99 F N 1.336 121.509 119.950 0.371 0.000 2.043 99 F HA -0.061 4.465 4.527 -0.001 0.000 0.297 99 F C 2.418 178.455 175.800 0.395 0.000 1.121 99 F CA 2.033 60.288 58.000 0.425 0.000 1.199 99 F CB -0.313 38.910 39.000 0.372 0.000 0.968 99 F HN 0.775 nan 8.300 nan 0.000 0.478 100 E N -0.752 119.695 120.200 0.412 0.000 2.204 100 E HA -0.223 4.126 4.350 -0.001 0.000 0.194 100 E C 2.128 178.907 176.600 0.297 0.000 0.989 100 E CA 1.074 57.651 56.400 0.295 0.000 0.824 100 E CB -0.566 29.320 29.700 0.311 0.000 0.756 100 E HN 0.518 nan 8.360 nan 0.000 0.477 101 F N 1.951 122.014 119.950 0.188 0.000 2.091 101 F HA -0.265 4.262 4.527 -0.001 0.000 0.299 101 F C 2.228 178.152 175.800 0.207 0.000 1.103 101 F CA 1.790 59.906 58.000 0.193 0.000 1.228 101 F CB -0.122 38.885 39.000 0.011 0.000 0.984 101 F HN 0.064 nan 8.300 nan 0.000 0.477 102 H N -0.490 118.690 119.070 0.183 0.000 2.403 102 H HA 0.006 4.561 4.556 -0.001 0.000 0.298 102 H C 2.461 177.880 175.328 0.151 0.000 1.059 102 H CA 1.349 57.441 56.048 0.072 0.000 1.363 102 H CB -0.389 29.326 29.762 -0.077 0.000 1.410 102 H HN 0.299 nan 8.280 nan 0.000 0.528 103 R N 1.136 121.719 120.500 0.138 0.000 2.066 103 R HA -0.094 4.245 4.340 -0.001 0.000 0.232 103 R C 1.734 178.111 176.300 0.128 0.000 1.131 103 R CA 1.514 57.652 56.100 0.064 0.000 0.955 103 R CB 0.010 30.243 30.300 -0.110 0.000 0.851 103 R HN 0.352 nan 8.270 nan 0.000 0.432 104 N N -0.393 118.417 118.700 0.184 0.000 2.188 104 N HA -0.179 4.560 4.740 -0.001 0.000 0.184 104 N C 1.551 177.203 175.510 0.237 0.000 1.018 104 N CA 1.057 54.245 53.050 0.229 0.000 0.858 104 N CB -0.212 38.463 38.487 0.312 0.000 0.989 104 N HN 0.142 nan 8.380 nan 0.000 0.426 105 F N 2.037 121.953 119.950 -0.057 0.000 2.091 105 F HA -0.179 4.347 4.527 -0.001 0.000 0.299 105 F C 1.742 177.451 175.800 -0.152 0.000 1.103 105 F CA 1.368 59.125 58.000 -0.406 0.000 1.228 105 F CB -0.472 38.135 39.000 -0.655 0.000 0.984 105 F HN -0.048 nan 8.300 nan 0.000 0.477 106 L N -0.159 120.881 121.223 -0.306 0.000 2.017 106 L HA -0.235 4.104 4.340 -0.001 0.000 0.208 106 L C 2.606 179.331 176.870 -0.240 0.000 1.073 106 L CA 1.303 55.920 54.840 -0.372 0.000 0.745 106 L CB -0.832 41.211 42.059 -0.027 0.000 0.894 106 L HN 0.238 nan 8.230 nan 0.000 0.432 107 L N -0.414 120.761 121.223 -0.081 0.000 2.042 107 L HA -0.255 4.085 4.340 -0.001 0.000 0.210 107 L C 2.896 179.726 176.870 -0.067 0.000 1.076 107 L CA 1.299 56.119 54.840 -0.033 0.000 0.749 107 L CB -0.817 41.263 42.059 0.034 0.000 0.893 107 L HN 0.277 nan 8.230 nan 0.000 0.432 108 A N 0.034 122.816 122.820 -0.063 0.000 1.883 108 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 108 A C 2.254 179.746 177.584 -0.153 0.000 1.186 108 A CA 1.959 53.972 52.037 -0.040 0.000 0.624 108 A CB -0.750 18.302 19.000 0.086 0.000 0.822 108 A HN 0.362 nan 8.150 nan 0.000 0.444 109 L N -0.150 120.864 121.223 -0.348 0.000 2.017 109 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 109 L C 2.306 178.986 176.870 -0.317 0.000 1.073 109 L CA 1.857 56.443 54.840 -0.422 0.000 0.745 109 L CB -0.310 41.319 42.059 -0.717 0.000 0.894 109 L HN 0.441 nan 8.230 nan 0.000 0.432 110 I N -0.441 119.969 120.570 -0.267 0.000 2.208 110 I HA -0.310 3.859 4.170 -0.001 0.000 0.245 110 I C 2.430 178.450 176.117 -0.160 0.000 1.097 110 I CA 1.625 62.802 61.300 -0.206 0.000 1.363 110 I CB -0.432 37.482 38.000 -0.144 0.000 1.051 110 I HN 0.388 nan 8.210 nan 0.000 0.413 111 E N 0.297 120.427 120.200 -0.118 0.000 2.047 111 E HA -0.260 4.089 4.350 -0.001 0.000 0.191 111 E C 2.230 178.781 176.600 -0.082 0.000 0.987 111 E CA 0.932 57.283 56.400 -0.081 0.000 0.799 111 E CB -0.077 29.597 29.700 -0.044 0.000 0.752 111 E HN 0.212 nan 8.360 nan 0.000 0.449 112 R N 1.278 121.722 120.500 -0.093 0.000 2.083 112 R HA -0.111 4.228 4.340 -0.001 0.000 0.237 112 R C 1.937 178.180 176.300 -0.094 0.000 1.137 112 R CA 1.435 57.489 56.100 -0.077 0.000 0.951 112 R CB -0.491 29.762 30.300 -0.078 0.000 0.851 112 R HN 0.160 nan 8.270 nan 0.000 0.434 113 L N 0.019 121.152 121.223 -0.151 0.000 2.554 113 L HA 0.122 4.461 4.340 -0.001 0.000 0.226 113 L C 0.185 176.983 176.870 -0.121 0.000 1.137 113 L CA 0.463 55.214 54.840 -0.149 0.000 0.863 113 L CB -0.482 41.435 42.059 -0.237 0.000 0.985 113 L HN 0.282 nan 8.230 nan 0.000 0.451 114 D N 1.318 121.647 120.400 -0.118 0.000 2.737 114 D HA -0.200 4.439 4.640 -0.001 0.000 0.238 114 D C -0.327 175.894 176.300 -0.132 0.000 1.157 114 D CA 0.420 54.355 54.000 -0.108 0.000 0.694 114 D CB -0.849 39.906 40.800 -0.076 0.000 1.021 114 D HN 0.161 nan 8.370 nan 0.000 0.420 115 L N 1.608 122.726 121.223 -0.175 0.000 2.313 115 L HA 0.424 4.764 4.340 -0.001 0.000 0.282 115 L C 1.329 178.048 176.870 -0.252 0.000 1.092 115 L CA -0.154 54.561 54.840 -0.209 0.000 0.831 115 L CB 0.833 42.745 42.059 -0.245 0.000 1.159 115 L HN 0.080 nan 8.230 nan 0.000 0.442 116 R N 2.630 123.000 120.500 -0.217 0.000 2.912 116 R HA 0.393 4.733 4.340 -0.001 0.000 0.262 116 R C -0.377 175.792 176.300 -0.218 0.000 1.057 116 R CA -1.149 54.818 56.100 -0.222 0.000 0.981 116 R CB 1.219 31.430 30.300 -0.148 0.000 1.201 116 R HN 0.600 nan 8.270 nan 0.000 0.484 117 N N 0.900 119.478 118.700 -0.204 0.000 2.688 117 N HA -0.192 4.547 4.740 -0.001 0.000 0.258 117 N C -0.703 174.658 175.510 -0.248 0.000 1.016 117 N CA 0.802 53.738 53.050 -0.190 0.000 0.747 117 N CB -1.131 37.263 38.487 -0.156 0.000 0.895 117 N HN 0.497 nan 8.380 nan 0.000 0.543 118 I N 0.908 121.303 120.570 -0.292 0.000 2.396 118 I HA 0.031 4.200 4.170 -0.001 0.000 0.289 118 I C 0.776 176.769 176.117 -0.206 0.000 1.056 118 I CA 0.101 61.216 61.300 -0.308 0.000 1.365 118 I CB 0.805 38.511 38.000 -0.490 0.000 1.407 118 I HN -0.043 nan 8.210 nan 0.000 0.509 119 T N 7.788 122.112 114.554 -0.384 0.000 2.794 119 T HA 0.213 4.563 4.350 -0.001 0.000 0.304 119 T C -0.029 174.571 174.700 -0.167 0.000 0.973 119 T CA -0.439 61.438 62.100 -0.371 0.000 0.972 119 T CB 0.140 68.455 68.868 -0.922 0.000 0.952 119 T HN 0.174 nan 8.240 nan 0.000 0.509 120 L N 6.016 127.273 121.223 0.058 0.000 2.534 120 L HA 0.217 4.556 4.340 -0.001 0.000 0.271 120 L C -0.395 176.519 176.870 0.074 0.000 1.178 120 L CA 0.405 55.307 54.840 0.103 0.000 0.907 120 L CB 0.223 42.394 42.059 0.187 0.000 1.164 120 L HN 0.371 nan 8.230 nan 0.000 0.482 121 V N 6.496 126.441 119.914 0.051 0.000 2.350 121 V HA 0.597 4.716 4.120 -0.001 0.000 0.285 121 V C -0.237 175.921 176.094 0.107 0.000 1.014 121 V CA -0.567 61.800 62.300 0.110 0.000 0.831 121 V CB 1.503 33.406 31.823 0.134 0.000 1.000 121 V HN 0.625 nan 8.190 nan 0.000 0.433 122 V N 2.024 122.011 119.914 0.122 0.000 3.040 122 V HA 0.919 5.038 4.120 -0.001 0.000 0.312 122 V C -0.955 175.169 176.094 0.050 0.000 1.115 122 V CA -0.517 61.833 62.300 0.082 0.000 0.998 122 V CB 2.161 33.974 31.823 -0.016 0.000 1.042 122 V HN 0.841 nan 8.190 nan 0.000 0.433 123 Q N 1.150 120.944 119.800 -0.010 0.000 2.574 123 Q HA 0.255 4.594 4.340 -0.001 0.000 0.265 123 Q C -0.436 175.410 176.000 -0.257 0.000 0.975 123 Q CA 0.517 56.242 55.803 -0.129 0.000 0.923 123 Q CB 2.374 31.072 28.738 -0.067 0.000 1.518 123 Q HN 1.211 nan 8.270 nan 0.000 0.401 124 D N 1.376 121.506 120.400 -0.451 0.000 3.740 124 D HA -0.292 4.347 4.640 -0.001 0.000 0.147 124 D C 0.306 175.789 176.300 -1.362 0.000 0.885 124 D CA 2.904 56.460 54.000 -0.739 0.000 1.051 124 D CB -1.043 39.584 40.800 -0.288 0.000 0.480 124 D HN 0.669 nan 8.370 nan 0.000 0.469 125 W N 0.330 121.018 121.300 -1.020 0.000 2.425 125 W HA 0.186 4.846 4.660 -0.001 0.000 0.277 125 W C 2.479 178.741 176.519 -0.429 0.000 1.231 125 W CA 0.965 57.747 57.345 -0.939 0.000 1.248 125 W CB -0.499 28.277 29.460 -1.140 0.000 1.117 125 W HN 0.413 nan 8.180 nan 0.000 0.568 126 G N -0.081 108.722 108.800 0.005 0.000 2.448 126 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.219 126 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.219 126 G C 1.670 176.581 174.900 0.020 0.000 1.127 126 G CA 1.141 46.324 45.100 0.137 0.000 0.766 126 G HN 0.395 nan 8.290 nan 0.000 0.552 127 G N 0.592 109.295 108.800 -0.162 0.000 2.425 127 G HA2 0.012 3.971 3.960 -0.001 0.000 0.213 127 G HA3 0.012 3.971 3.960 -0.001 0.000 0.213 127 G C 1.523 176.407 174.900 -0.026 0.000 1.201 127 G CA 0.631 45.641 45.100 -0.150 0.000 0.799 127 G HN 0.218 nan 8.290 nan 0.000 0.534 128 F N 1.050 120.873 119.950 -0.212 0.000 2.115 128 F HA -0.054 4.472 4.527 -0.001 0.000 0.300 128 F C 2.531 178.382 175.800 0.085 0.000 1.092 128 F CA 0.531 58.398 58.000 -0.222 0.000 1.245 128 F CB -1.144 37.446 39.000 -0.683 0.000 0.995 128 F HN 0.051 nan 8.300 nan 0.000 0.481 129 L N -0.902 120.504 121.223 0.304 0.000 2.084 129 L HA 0.057 4.396 4.340 -0.001 0.000 0.202 129 L C 2.837 179.806 176.870 0.166 0.000 1.074 129 L CA 1.166 56.137 54.840 0.219 0.000 0.757 129 L CB -1.366 40.812 42.059 0.198 0.000 0.918 129 L HN 0.175 nan 8.230 nan 0.000 0.444 130 G N 0.264 109.150 108.800 0.143 0.000 2.469 130 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.220 130 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.220 130 G C 1.540 176.474 174.900 0.055 0.000 1.136 130 G CA 0.655 45.808 45.100 0.088 0.000 0.759 130 G HN 0.249 nan 8.290 nan 0.000 0.562 131 L N 1.311 122.582 121.223 0.081 0.000 2.549 131 L HA 0.028 4.367 4.340 -0.001 0.000 0.229 131 L C 2.604 179.660 176.870 0.310 0.000 1.158 131 L CA 1.293 56.248 54.840 0.193 0.000 0.842 131 L CB -0.229 41.826 42.059 -0.007 0.000 0.952 131 L HN 0.407 nan 8.230 nan 0.000 0.452 132 T N -4.643 110.002 114.554 0.152 0.000 3.105 132 T HA 0.218 4.567 4.350 -0.001 0.000 0.253 132 T C 1.436 176.081 174.700 -0.091 0.000 1.047 132 T CA -0.184 61.965 62.100 0.081 0.000 0.944 132 T CB 0.142 69.144 68.868 0.223 0.000 1.016 132 T HN 0.167 nan 8.240 nan 0.000 0.544 133 L N 0.258 121.366 121.223 -0.192 0.000 2.168 133 L HA 0.228 4.567 4.340 -0.001 0.000 0.203 133 L C -0.585 175.869 176.870 -0.694 0.000 1.078 133 L CA 0.248 54.907 54.840 -0.302 0.000 0.780 133 L CB -1.363 40.584 42.059 -0.185 0.000 0.939 133 L HN 0.134 nan 8.230 nan 0.000 0.451 134 P HA -0.232 nan 4.420 nan 0.000 0.216 134 P C 1.942 178.600 177.300 -1.070 0.000 1.154 134 P CA 1.721 63.936 63.100 -1.474 0.000 0.865 134 P CB -0.145 30.753 31.700 -1.338 0.000 0.789 135 M N -2.195 116.637 119.600 -1.280 0.000 2.279 135 M HA -0.057 4.422 4.480 -0.001 0.000 0.264 135 M C 1.905 178.006 176.300 -0.332 0.000 1.062 135 M CA 2.311 57.103 55.300 -0.846 0.000 1.099 135 M CB -1.062 31.168 32.600 -0.617 0.000 1.394 135 M HN -0.191 nan 8.290 nan 0.000 0.426 136 A N -0.068 122.597 122.820 -0.258 0.000 2.066 136 A HA -0.081 4.238 4.320 -0.001 0.000 0.218 136 A C 0.743 178.313 177.584 -0.023 0.000 1.157 136 A CA 1.527 53.509 52.037 -0.091 0.000 0.670 136 A CB -0.118 18.854 19.000 -0.047 0.000 0.804 136 A HN 0.661 nan 8.150 nan 0.000 0.453 137 D N -2.403 117.999 120.400 0.005 0.000 3.361 137 D HA 0.095 4.734 4.640 -0.001 0.000 0.246 137 D C -2.323 174.088 176.300 0.186 0.000 1.395 137 D CA -0.638 53.416 54.000 0.090 0.000 0.839 137 D CB 0.594 41.460 40.800 0.110 0.000 1.469 137 D HN 0.054 nan 8.370 nan 0.000 0.636 138 P HA -0.159 nan 4.420 nan 0.000 0.221 138 P C 1.238 178.709 177.300 0.284 0.000 1.145 138 P CA 0.831 64.070 63.100 0.232 0.000 0.795 138 P CB 0.130 31.982 31.700 0.254 0.000 0.775 139 S N -0.403 115.395 115.700 0.162 0.000 2.507 139 S HA -0.025 4.444 4.470 -0.001 0.000 0.235 139 S C 1.955 176.576 174.600 0.036 0.000 0.988 139 S CA 0.355 58.606 58.200 0.084 0.000 0.944 139 S CB -0.777 62.445 63.200 0.037 0.000 0.762 139 S HN 0.184 nan 8.310 nan 0.000 0.526 140 R N -0.334 120.182 120.500 0.027 0.000 2.240 140 R HA 0.269 4.608 4.340 -0.001 0.000 0.203 140 R C -0.663 175.399 176.300 -0.396 0.000 1.011 140 R CA 0.341 56.294 56.100 -0.244 0.000 1.007 140 R CB 0.033 30.069 30.300 -0.440 0.000 0.911 140 R HN 0.408 nan 8.270 nan 0.000 0.468 141 F N 1.196 121.175 119.950 0.049 0.000 2.427 141 F HA 0.241 4.768 4.527 -0.001 0.000 0.346 141 F C 1.288 177.195 175.800 0.177 0.000 1.120 141 F CA -0.771 57.303 58.000 0.123 0.000 1.033 141 F CB 1.486 40.608 39.000 0.203 0.000 1.126 141 F HN -0.243 nan 8.300 nan 0.000 0.462 142 K N 2.496 123.029 120.400 0.221 0.000 2.425 142 K HA 0.352 4.671 4.320 -0.001 0.000 0.201 142 K C 0.055 176.710 176.600 0.091 0.000 1.128 142 K CA 0.297 56.625 56.287 0.068 0.000 1.000 142 K CB 0.694 33.141 32.500 -0.089 0.000 0.961 142 K HN 0.711 nan 8.250 nan 0.000 0.555 143 R N -0.427 120.235 120.500 0.271 0.000 2.752 143 R HA 0.551 4.890 4.340 -0.001 0.000 0.271 143 R C -1.983 174.554 176.300 0.396 0.000 1.026 143 R CA -0.780 55.466 56.100 0.243 0.000 0.901 143 R CB 1.541 31.632 30.300 -0.348 0.000 1.243 143 R HN 0.081 nan 8.270 nan 0.000 0.463 144 L N 1.384 122.863 121.223 0.427 0.000 2.505 144 L HA 0.592 4.931 4.340 -0.001 0.000 0.266 144 L C -1.737 175.370 176.870 0.396 0.000 0.954 144 L CA -0.172 54.842 54.840 0.289 0.000 0.852 144 L CB 1.948 44.044 42.059 0.062 0.000 1.282 144 L HN 0.594 nan 8.230 nan 0.000 0.403 145 I N 6.454 127.208 120.570 0.307 0.000 2.371 145 I HA 0.411 4.580 4.170 -0.001 0.000 0.282 145 I C -0.448 175.760 176.117 0.152 0.000 1.031 145 I CA -0.266 61.228 61.300 0.322 0.000 1.180 145 I CB 1.441 39.673 38.000 0.385 0.000 1.336 145 I HN 0.553 nan 8.210 nan 0.000 0.467 146 I N 7.388 127.984 120.570 0.043 0.000 2.312 146 I HA 0.446 4.615 4.170 -0.001 0.000 0.290 146 I C -0.579 175.486 176.117 -0.087 0.000 1.008 146 I CA -0.213 61.040 61.300 -0.078 0.000 1.226 146 I CB 0.589 38.460 38.000 -0.216 0.000 1.371 146 I HN 0.576 nan 8.210 nan 0.000 0.468 147 M N 5.272 124.832 119.600 -0.067 0.000 2.705 147 M HA 0.378 4.858 4.480 -0.001 0.000 0.311 147 M C 0.071 176.271 176.300 -0.167 0.000 1.214 147 M CA -0.918 54.324 55.300 -0.096 0.000 0.920 147 M CB 1.304 33.885 32.600 -0.032 0.000 1.687 147 M HN 0.443 nan 8.290 nan 0.000 0.481 148 N N 1.937 120.520 118.700 -0.195 0.000 1.857 148 N HA 0.050 4.790 4.740 -0.001 0.000 0.282 148 N C -1.085 174.283 175.510 -0.237 0.000 1.312 148 N CA 0.429 53.348 53.050 -0.217 0.000 0.994 148 N CB -0.624 37.744 38.487 -0.198 0.000 1.369 148 N HN 0.695 nan 8.380 nan 0.000 0.479 149 A N 0.055 122.733 122.820 -0.236 0.000 2.581 149 A HA 0.844 5.163 4.320 -0.001 0.000 0.290 149 A C -0.324 177.117 177.584 -0.238 0.000 1.119 149 A CA -0.276 51.632 52.037 -0.215 0.000 0.670 149 A CB 0.789 19.633 19.000 -0.261 0.000 1.280 149 A HN 0.830 nan 8.150 nan 0.000 0.425 150 C N -1.723 117.482 119.300 -0.159 0.000 3.230 150 C HA 0.824 5.283 4.460 -0.001 0.000 0.376 150 C C -1.457 173.258 174.990 -0.457 0.000 1.956 150 C CA -0.858 57.796 59.018 -0.607 0.000 1.141 150 C CB -0.105 26.872 27.740 -1.271 0.000 2.302 150 C HN 0.958 nan 8.230 nan 0.000 0.422 151 L N 1.223 122.056 121.223 -0.651 0.000 2.334 151 L HA 0.571 4.910 4.340 -0.001 0.000 0.276 151 L C 0.179 176.839 176.870 -0.350 0.000 1.014 151 L CA -0.562 54.093 54.840 -0.308 0.000 0.815 151 L CB 1.608 43.612 42.059 -0.093 0.000 1.268 151 L HN 0.562 nan 8.230 nan 0.000 0.428 152 M N 2.305 121.680 119.600 -0.374 0.000 3.596 152 M HA 0.131 4.611 4.480 -0.001 0.000 0.219 152 M C 0.331 176.498 176.300 -0.221 0.000 1.471 152 M CA 0.204 55.269 55.300 -0.392 0.000 1.644 152 M CB -0.859 31.472 32.600 -0.447 0.000 1.083 152 M HN 0.611 nan 8.290 nan 0.000 0.579 153 T N 0.306 114.801 114.554 -0.098 0.000 2.810 153 T HA 0.242 4.591 4.350 -0.001 0.000 0.277 153 T C -0.002 174.655 174.700 -0.072 0.000 0.973 153 T CA -0.699 61.370 62.100 -0.051 0.000 0.949 153 T CB 0.907 69.800 68.868 0.041 0.000 1.075 153 T HN 0.643 nan 8.240 nan 0.000 0.537 154 D N 2.031 122.392 120.400 -0.065 0.000 2.372 154 D HA 0.114 4.753 4.640 -0.001 0.000 0.243 154 D C -1.687 174.562 176.300 -0.085 0.000 1.121 154 D CA -1.475 52.479 54.000 -0.076 0.000 0.898 154 D CB 1.056 41.821 40.800 -0.059 0.000 1.202 154 D HN 0.315 nan 8.370 nan 0.000 0.428 155 P HA -0.173 nan 4.420 nan 0.000 0.218 155 P C 1.580 178.817 177.300 -0.105 0.000 1.146 155 P CA 0.514 63.545 63.100 -0.116 0.000 0.813 155 P CB 0.261 31.891 31.700 -0.117 0.000 0.778 156 V N 0.212 120.077 119.914 -0.082 0.000 2.346 156 V HA -0.147 3.972 4.120 -0.001 0.000 0.244 156 V C 2.639 178.686 176.094 -0.078 0.000 1.037 156 V CA 2.440 64.697 62.300 -0.072 0.000 1.029 156 V CB -1.747 30.044 31.823 -0.053 0.000 0.663 156 V HN 0.156 nan 8.190 nan 0.000 0.454 157 T N -0.925 113.587 114.554 -0.071 0.000 2.788 157 T HA -0.104 4.245 4.350 -0.001 0.000 0.268 157 T C 0.852 175.485 174.700 -0.111 0.000 1.044 157 T CA 1.114 63.176 62.100 -0.064 0.000 1.139 157 T CB -0.085 68.763 68.868 -0.033 0.000 0.867 157 T HN 0.300 nan 8.240 nan 0.000 0.454 158 Q N -0.113 119.589 119.800 -0.164 0.000 2.961 158 Q HA 0.192 4.531 4.340 -0.001 0.000 0.223 158 Q C -2.213 173.579 176.000 -0.346 0.000 0.859 158 Q CA -1.440 54.161 55.803 -0.336 0.000 0.771 158 Q CB 2.158 30.591 28.738 -0.507 0.000 1.389 158 Q HN 0.208 nan 8.270 nan 0.000 0.460 159 P HA -0.188 nan 4.420 nan 0.000 0.218 159 P C 1.066 178.244 177.300 -0.202 0.000 1.148 159 P CA 1.393 64.373 63.100 -0.200 0.000 0.822 159 P CB 0.341 31.953 31.700 -0.147 0.000 0.784 160 A N 0.304 122.948 122.820 -0.294 0.000 1.903 160 A HA -0.201 4.118 4.320 -0.001 0.000 0.219 160 A C 1.734 179.373 177.584 0.093 0.000 1.191 160 A CA 1.704 53.634 52.037 -0.177 0.000 0.638 160 A CB -1.761 17.042 19.000 -0.328 0.000 0.823 160 A HN 0.112 nan 8.150 nan 0.000 0.451 161 F N 0.014 119.959 119.950 -0.009 0.000 2.804 161 F HA 0.201 4.727 4.527 -0.001 0.000 0.303 161 F C 1.843 177.544 175.800 -0.165 0.000 1.154 161 F CA 0.278 58.292 58.000 0.025 0.000 1.401 161 F CB -0.661 38.285 39.000 -0.089 0.000 1.106 161 F HN 0.143 nan 8.300 nan 0.000 0.568 162 S N -0.925 114.678 115.700 -0.163 0.000 2.663 162 S HA 0.264 4.733 4.470 -0.001 0.000 0.247 162 S C 2.131 176.415 174.600 -0.528 0.000 1.074 162 S CA 0.339 58.254 58.200 -0.474 0.000 0.955 162 S CB 0.049 63.067 63.200 -0.302 0.000 0.901 162 S HN 0.206 nan 8.310 nan 0.000 0.505 163 A N 1.949 124.620 122.820 -0.248 0.000 1.986 163 A HA -0.117 4.203 4.320 -0.001 0.000 0.220 163 A C 1.810 179.323 177.584 -0.120 0.000 1.171 163 A CA 1.831 53.783 52.037 -0.142 0.000 0.640 163 A CB -1.048 17.934 19.000 -0.031 0.000 0.811 163 A HN 0.677 nan 8.150 nan 0.000 0.451 164 F N -1.085 118.804 119.950 -0.102 0.000 2.407 164 F HA 0.061 4.587 4.527 -0.001 0.000 0.299 164 F C 1.554 177.288 175.800 -0.111 0.000 1.097 164 F CA 0.798 58.753 58.000 -0.074 0.000 1.422 164 F CB -0.943 38.000 39.000 -0.094 0.000 1.067 164 F HN -0.050 nan 8.300 nan 0.000 0.539 165 V N 0.630 120.004 119.914 -0.901 0.000 2.913 165 V HA -0.212 3.908 4.120 -0.001 0.000 0.260 165 V C 2.121 178.158 176.094 -0.095 0.000 1.098 165 V CA 2.170 64.009 62.300 -0.768 0.000 1.121 165 V CB -1.188 30.114 31.823 -0.868 0.000 0.714 165 V HN 0.525 nan 8.190 nan 0.000 0.487 166 T N 0.045 114.552 114.554 -0.079 0.000 2.852 166 T HA 0.042 4.391 4.350 -0.001 0.000 0.256 166 T C 0.682 175.451 174.700 0.115 0.000 1.038 166 T CA 0.947 63.065 62.100 0.030 0.000 1.141 166 T CB -0.020 68.840 68.868 -0.014 0.000 0.869 166 T HN 0.765 nan 8.240 nan 0.000 0.439 167 Q N 0.079 119.960 119.800 0.135 0.000 2.804 167 Q HA 0.414 4.753 4.340 -0.001 0.000 0.302 167 Q C -3.354 172.759 176.000 0.188 0.000 0.885 167 Q CA -1.919 53.979 55.803 0.159 0.000 0.759 167 Q CB 1.030 29.828 28.738 0.099 0.000 1.465 167 Q HN -0.037 nan 8.270 nan 0.000 0.432 168 P HA 0.157 nan 4.420 nan 0.000 0.276 168 P C 0.088 177.486 177.300 0.165 0.000 1.252 168 P CA 0.310 63.494 63.100 0.140 0.000 0.802 168 P CB 1.064 32.829 31.700 0.110 0.000 1.035 169 A N 2.090 124.984 122.820 0.124 0.000 1.917 169 A HA -0.212 4.107 4.320 -0.001 0.000 0.219 169 A C 1.580 179.250 177.584 0.145 0.000 1.182 169 A CA 2.195 54.302 52.037 0.116 0.000 0.633 169 A CB -1.374 17.667 19.000 0.068 0.000 0.819 169 A HN 0.713 nan 8.150 nan 0.000 0.448 170 D N -0.846 119.639 120.400 0.142 0.000 2.349 170 D HA 0.155 4.794 4.640 -0.001 0.000 0.224 170 D C 1.115 177.589 176.300 0.290 0.000 1.029 170 D CA 0.901 55.002 54.000 0.168 0.000 0.879 170 D CB -0.411 40.440 40.800 0.086 0.000 0.906 170 D HN 0.332 nan 8.370 nan 0.000 0.528 171 G N 0.105 109.089 108.800 0.307 0.000 3.226 171 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.190 171 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.190 171 G C 0.932 176.098 174.900 0.443 0.000 1.988 171 G CA -0.019 45.309 45.100 0.380 0.000 0.859 171 G HN 0.284 nan 8.290 nan 0.000 0.631 172 W N 1.470 122.914 121.300 0.239 0.000 2.338 172 W HA -0.154 4.505 4.660 -0.001 0.000 0.304 172 W C 2.120 178.828 176.519 0.314 0.000 1.212 172 W CA 2.255 59.752 57.345 0.253 0.000 1.264 172 W CB -0.658 28.974 29.460 0.286 0.000 1.142 172 W HN 0.314 nan 8.180 nan 0.000 0.512 173 T N 1.517 116.144 114.554 0.122 0.000 2.720 173 T HA -0.189 4.160 4.350 -0.001 0.000 0.268 173 T C 2.102 176.841 174.700 0.065 0.000 1.037 173 T CA 2.362 64.473 62.100 0.018 0.000 1.144 173 T CB -0.789 68.155 68.868 0.127 0.000 0.864 173 T HN 0.264 nan 8.240 nan 0.000 0.444 174 A N 1.536 124.484 122.820 0.214 0.000 1.877 174 A HA -0.103 4.216 4.320 -0.001 0.000 0.216 174 A C 2.151 179.977 177.584 0.403 0.000 1.186 174 A CA 1.386 53.642 52.037 0.364 0.000 0.620 174 A CB -1.143 18.154 19.000 0.496 0.000 0.822 174 A HN 0.739 nan 8.150 nan 0.000 0.443 175 W N 1.172 122.490 121.300 0.029 0.000 2.318 175 W HA -0.212 4.447 4.660 -0.001 0.000 0.313 175 W C 2.024 178.342 176.519 -0.334 0.000 1.221 175 W CA 2.396 59.515 57.345 -0.377 0.000 1.266 175 W CB -0.337 28.750 29.460 -0.622 0.000 1.150 175 W HN 0.405 nan 8.180 nan 0.000 0.496 176 K N -0.538 119.654 120.400 -0.348 0.000 2.057 176 K HA -0.274 4.045 4.320 -0.001 0.000 0.206 176 K C 2.259 178.744 176.600 -0.192 0.000 1.050 176 K CA 1.621 57.637 56.287 -0.452 0.000 0.935 176 K CB -1.087 30.952 32.500 -0.768 0.000 0.715 176 K HN 0.107 nan 8.250 nan 0.000 0.439 177 Y N 2.297 122.500 120.300 -0.163 0.000 2.165 177 Y HA -0.257 4.292 4.550 -0.001 0.000 0.286 177 Y C 1.556 177.424 175.900 -0.054 0.000 1.155 177 Y CA 2.140 60.201 58.100 -0.066 0.000 1.164 177 Y CB -0.262 38.199 38.460 0.001 0.000 0.978 177 Y HN 0.211 nan 8.280 nan 0.000 0.513 178 D N -0.254 120.128 120.400 -0.029 0.000 2.264 178 D HA -0.119 4.520 4.640 -0.001 0.000 0.208 178 D C 2.046 178.188 176.300 -0.263 0.000 0.966 178 D CA 1.301 55.269 54.000 -0.053 0.000 0.864 178 D CB -0.111 40.873 40.800 0.307 0.000 0.933 178 D HN 0.423 nan 8.370 nan 0.000 0.499 179 L N -0.287 120.691 121.223 -0.408 0.000 2.286 179 L HA 0.020 4.359 4.340 -0.001 0.000 0.203 179 L C 2.203 178.861 176.870 -0.353 0.000 1.068 179 L CA 0.346 54.876 54.840 -0.517 0.000 0.811 179 L CB 0.065 41.735 42.059 -0.649 0.000 0.989 179 L HN -0.025 nan 8.230 nan 0.000 0.467 180 V N -4.757 114.991 119.914 -0.277 0.000 3.471 180 V HA 0.029 4.148 4.120 -0.001 0.000 0.258 180 V C 2.071 178.046 176.094 -0.198 0.000 1.192 180 V CA 1.087 63.270 62.300 -0.196 0.000 1.116 180 V CB -0.317 31.443 31.823 -0.106 0.000 0.792 180 V HN 0.492 nan 8.190 nan 0.000 0.459 181 T N -1.847 112.531 114.554 -0.294 0.000 3.037 181 T HA 0.288 4.637 4.350 -0.001 0.000 0.252 181 T C -0.807 173.725 174.700 -0.280 0.000 1.073 181 T CA 0.097 62.015 62.100 -0.304 0.000 1.091 181 T CB -1.028 67.543 68.868 -0.494 0.000 0.935 181 T HN 0.591 nan 8.240 nan 0.000 0.488 182 P HA 0.278 nan 4.420 nan 0.000 0.276 182 P C 0.763 177.978 177.300 -0.141 0.000 1.253 182 P CA 0.022 63.008 63.100 -0.190 0.000 0.766 182 P CB 1.602 33.198 31.700 -0.174 0.000 0.845 183 S N 0.946 116.586 115.700 -0.101 0.000 2.453 183 S HA -0.059 4.410 4.470 -0.001 0.000 0.231 183 S C 0.745 175.304 174.600 -0.069 0.000 1.005 183 S CA 0.523 58.676 58.200 -0.079 0.000 0.949 183 S CB -0.236 62.931 63.200 -0.055 0.000 0.774 183 S HN 0.391 nan 8.310 nan 0.000 0.510 184 D N 1.569 121.930 120.400 -0.065 0.000 2.736 184 D HA 0.315 4.954 4.640 -0.001 0.000 0.293 184 D C -1.061 175.203 176.300 -0.060 0.000 1.241 184 D CA -0.415 53.555 54.000 -0.051 0.000 0.965 184 D CB 0.466 41.247 40.800 -0.031 0.000 0.992 184 D HN 0.217 nan 8.370 nan 0.000 0.510 185 L N 2.921 124.090 121.223 -0.090 0.000 2.433 185 L HA 0.172 4.511 4.340 -0.001 0.000 0.284 185 L C -0.002 176.826 176.870 -0.070 0.000 1.120 185 L CA 0.025 54.797 54.840 -0.114 0.000 0.879 185 L CB 0.006 41.945 42.059 -0.200 0.000 1.232 185 L HN -0.075 nan 8.230 nan 0.000 0.454 186 R N 6.274 126.763 120.500 -0.018 0.000 2.296 186 R HA 0.179 4.518 4.340 -0.001 0.000 0.327 186 R C 0.929 177.278 176.300 0.080 0.000 1.137 186 R CA -0.214 55.904 56.100 0.030 0.000 1.020 186 R CB 0.545 30.870 30.300 0.042 0.000 1.110 186 R HN 0.799 nan 8.270 nan 0.000 0.499 187 L N 1.636 122.912 121.223 0.088 0.000 2.156 187 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 187 L C 1.937 178.951 176.870 0.241 0.000 1.095 187 L CA 1.289 56.221 54.840 0.154 0.000 0.770 187 L CB -0.153 42.021 42.059 0.192 0.000 0.914 187 L HN 0.550 nan 8.230 nan 0.000 0.439 188 D N -0.318 120.198 120.400 0.193 0.000 2.097 188 D HA -0.277 4.363 4.640 -0.001 0.000 0.195 188 D C 1.843 178.232 176.300 0.148 0.000 0.989 188 D CA 1.371 55.475 54.000 0.174 0.000 0.827 188 D CB -0.450 40.421 40.800 0.118 0.000 0.966 188 D HN 0.401 nan 8.370 nan 0.000 0.456 189 Q N -0.631 119.250 119.800 0.135 0.000 2.084 189 Q HA -0.105 4.235 4.340 -0.001 0.000 0.202 189 Q C 2.200 178.296 176.000 0.160 0.000 0.978 189 Q CA 1.220 57.094 55.803 0.118 0.000 0.844 189 Q CB -0.359 28.439 28.738 0.101 0.000 0.898 189 Q HN 0.360 nan 8.270 nan 0.000 0.426 190 F N 0.958 120.955 119.950 0.078 0.000 2.069 190 F HA -0.256 4.270 4.527 -0.002 0.000 0.298 190 F C 2.051 177.985 175.800 0.222 0.000 1.113 190 F CA 1.299 59.385 58.000 0.142 0.000 1.214 190 F CB -0.059 38.951 39.000 0.017 0.000 0.978 190 F HN 0.013 nan 8.300 nan 0.000 0.474 191 M N 0.555 120.231 119.600 0.126 0.000 2.159 191 M HA -0.174 4.305 4.480 -0.001 0.000 0.263 191 M C 2.021 178.297 176.300 -0.040 0.000 1.063 191 M CA 1.580 56.840 55.300 -0.066 0.000 1.110 191 M CB -1.148 31.371 32.600 -0.135 0.000 1.374 191 M HN 0.190 nan 8.290 nan 0.000 0.411 192 K N -0.589 119.822 120.400 0.019 0.000 2.147 192 K HA -0.153 4.166 4.320 -0.001 0.000 0.205 192 K C 2.175 178.758 176.600 -0.029 0.000 1.049 192 K CA 1.013 57.310 56.287 0.017 0.000 0.936 192 K CB -0.119 32.400 32.500 0.032 0.000 0.722 192 K HN 0.263 nan 8.250 nan 0.000 0.446 193 R N -0.180 120.271 120.500 -0.081 0.000 2.062 193 R HA -0.116 4.224 4.340 -0.001 0.000 0.229 193 R C 1.366 177.442 176.300 -0.374 0.000 1.128 193 R CA 1.467 57.425 56.100 -0.237 0.000 0.960 193 R CB -0.065 30.063 30.300 -0.287 0.000 0.855 193 R HN 0.246 nan 8.270 nan 0.000 0.432 194 W N -0.415 120.783 121.300 -0.170 0.000 2.863 194 W HA 0.283 4.943 4.660 -0.002 0.000 0.258 194 W C 0.450 177.120 176.519 0.251 0.000 1.298 194 W CA 0.186 57.558 57.345 0.045 0.000 1.451 194 W CB 0.544 30.021 29.460 0.029 0.000 1.107 194 W HN 0.099 nan 8.180 nan 0.000 0.641 195 A N 1.216 124.207 122.820 0.285 0.000 3.159 195 A HA 0.312 4.631 4.320 -0.001 0.000 0.330 195 A C -1.703 175.967 177.584 0.144 0.000 1.032 195 A CA -0.893 51.308 52.037 0.273 0.000 0.841 195 A CB 0.078 19.183 19.000 0.174 0.000 1.093 195 A HN -0.074 nan 8.150 nan 0.000 0.478 196 P HA -0.100 nan 4.420 nan 0.000 0.236 196 P C 0.919 178.264 177.300 0.075 0.000 1.172 196 P CA 1.386 64.522 63.100 0.059 0.000 0.759 196 P CB -0.192 31.523 31.700 0.024 0.000 0.843 197 T N -3.586 111.033 114.554 0.109 0.000 3.060 197 T HA 0.170 4.519 4.350 -0.001 0.000 0.249 197 T C 0.991 175.722 174.700 0.052 0.000 1.079 197 T CA -0.304 61.842 62.100 0.078 0.000 1.013 197 T CB -0.418 68.499 68.868 0.082 0.000 0.975 197 T HN -0.012 nan 8.240 nan 0.000 0.518 198 L N 3.694 124.963 121.223 0.076 0.000 2.525 198 L HA 0.184 4.524 4.340 -0.001 0.000 0.278 198 L C 1.330 178.242 176.870 0.070 0.000 1.218 198 L CA -0.239 54.654 54.840 0.088 0.000 0.878 198 L CB 0.142 42.273 42.059 0.120 0.000 1.127 198 L HN 0.365 nan 8.230 nan 0.000 0.492 199 T N -1.480 113.115 114.554 0.069 0.000 2.849 199 T HA 0.066 4.415 4.350 -0.001 0.000 0.284 199 T C 0.970 175.708 174.700 0.063 0.000 1.004 199 T CA -0.709 61.423 62.100 0.053 0.000 1.021 199 T CB 1.442 70.335 68.868 0.041 0.000 1.013 199 T HN 0.650 nan 8.240 nan 0.000 0.527 200 E N 0.618 120.845 120.200 0.046 0.000 2.085 200 E HA -0.198 4.151 4.350 -0.001 0.000 0.194 200 E C 2.302 178.928 176.600 0.043 0.000 0.994 200 E CA 1.499 57.925 56.400 0.043 0.000 0.801 200 E CB -0.502 29.215 29.700 0.028 0.000 0.743 200 E HN 0.831 nan 8.360 nan 0.000 0.453 201 A N 1.023 123.867 122.820 0.040 0.000 1.930 201 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 201 A C 1.917 179.527 177.584 0.043 0.000 1.175 201 A CA 1.362 53.419 52.037 0.032 0.000 0.627 201 A CB -0.340 18.681 19.000 0.035 0.000 0.815 201 A HN 0.234 nan 8.150 nan 0.000 0.443 202 E N -0.139 120.119 120.200 0.096 0.000 2.072 202 E HA -0.096 4.253 4.350 -0.001 0.000 0.191 202 E C 2.329 179.015 176.600 0.144 0.000 0.985 202 E CA 0.916 57.417 56.400 0.168 0.000 0.801 202 E CB -0.292 29.545 29.700 0.228 0.000 0.750 202 E HN 0.605 nan 8.360 nan 0.000 0.452 203 A N 1.555 124.483 122.820 0.181 0.000 1.902 203 A HA -0.213 4.106 4.320 -0.001 0.000 0.217 203 A C 2.352 180.037 177.584 0.168 0.000 1.181 203 A CA 1.984 54.165 52.037 0.240 0.000 0.623 203 A CB -0.657 18.433 19.000 0.150 0.000 0.818 203 A HN 0.335 nan 8.150 nan 0.000 0.443 204 S N 0.094 115.827 115.700 0.056 0.000 2.402 204 S HA 0.080 4.549 4.470 -0.001 0.000 0.229 204 S C 2.036 176.591 174.600 -0.076 0.000 1.021 204 S CA 1.180 59.382 58.200 0.004 0.000 0.974 204 S CB -0.638 62.550 63.200 -0.022 0.000 0.800 204 S HN 0.925 nan 8.310 nan 0.000 0.484 205 A N 0.571 123.256 122.820 -0.225 0.000 2.024 205 A HA -0.016 4.303 4.320 -0.001 0.000 0.220 205 A C 1.858 179.250 177.584 -0.320 0.000 1.164 205 A CA 1.334 53.068 52.037 -0.505 0.000 0.643 205 A CB -1.035 17.160 19.000 -1.341 0.000 0.806 205 A HN 0.649 nan 8.150 nan 0.000 0.451 206 Y N -0.904 119.375 120.300 -0.036 0.000 2.516 206 Y HA 0.193 4.742 4.550 -0.001 0.000 0.291 206 Y C 2.522 178.544 175.900 0.204 0.000 1.131 206 Y CA 0.464 58.681 58.100 0.195 0.000 1.281 206 Y CB -0.141 38.420 38.460 0.168 0.000 1.013 206 Y HN 0.330 nan 8.280 nan 0.000 0.554 207 A N -0.636 122.309 122.820 0.209 0.000 2.169 207 A HA 0.287 4.607 4.320 -0.001 0.000 0.210 207 A C 2.331 179.862 177.584 -0.088 0.000 1.168 207 A CA 0.738 52.864 52.037 0.147 0.000 0.813 207 A CB -0.721 18.337 19.000 0.096 0.000 0.861 207 A HN 0.284 nan 8.150 nan 0.000 0.481 208 A N 1.315 124.011 122.820 -0.207 0.000 1.940 208 A HA -0.151 4.169 4.320 -0.001 0.000 0.221 208 A C 0.041 177.146 177.584 -0.797 0.000 1.190 208 A CA 2.267 54.024 52.037 -0.467 0.000 0.647 208 A CB -1.739 17.046 19.000 -0.358 0.000 0.821 208 A HN 0.443 nan 8.150 nan 0.000 0.457 209 P HA -0.042 nan 4.420 nan 0.000 0.225 209 P C -0.260 176.305 177.300 -1.226 0.000 1.148 209 P CA 0.773 63.193 63.100 -1.134 0.000 0.779 209 P CB -0.031 30.731 31.700 -1.564 0.000 0.780 210 F N -2.050 117.682 119.950 -0.363 0.000 2.453 210 F HA 0.374 4.900 4.527 -0.001 0.000 0.358 210 F C -1.734 173.824 175.800 -0.404 0.000 1.129 210 F CA -2.637 55.154 58.000 -0.349 0.000 1.200 210 F CB 0.597 39.498 39.000 -0.165 0.000 1.431 210 F HN -0.146 nan 8.300 nan 0.000 0.503 211 P HA -0.130 nan 4.420 nan 0.000 0.216 211 P C -0.490 176.734 177.300 -0.126 0.000 1.150 211 P CA 1.700 64.567 63.100 -0.390 0.000 0.843 211 P CB 0.169 31.526 31.700 -0.571 0.000 0.787 212 D N -6.189 114.224 120.400 0.022 0.000 2.692 212 D HA 0.110 4.749 4.640 -0.001 0.000 0.303 212 D C 0.605 177.012 176.300 0.177 0.000 1.278 212 D CA -0.475 53.589 54.000 0.106 0.000 0.852 212 D CB -0.314 40.548 40.800 0.102 0.000 1.375 212 D HN -0.219 nan 8.370 nan 0.000 0.453 213 T N -2.407 112.189 114.554 0.071 0.000 2.946 213 T HA -0.205 4.144 4.350 -0.001 0.000 0.271 213 T C 1.680 176.395 174.700 0.026 0.000 1.104 213 T CA 1.498 63.607 62.100 0.014 0.000 1.114 213 T CB -0.860 67.986 68.868 -0.036 0.000 0.867 213 T HN 0.500 nan 8.240 nan 0.000 0.513 214 S N 0.047 115.785 115.700 0.063 0.000 2.507 214 S HA -0.022 4.447 4.470 -0.001 0.000 0.235 214 S C 1.267 175.808 174.600 -0.099 0.000 0.988 214 S CA 0.062 58.234 58.200 -0.047 0.000 0.944 214 S CB -0.809 62.313 63.200 -0.129 0.000 0.762 214 S HN 0.674 nan 8.310 nan 0.000 0.526 215 Y N 1.322 121.631 120.300 0.016 0.000 2.457 215 Y HA 0.369 4.918 4.550 -0.002 0.000 0.263 215 Y C 2.026 177.966 175.900 0.067 0.000 1.164 215 Y CA -0.202 57.953 58.100 0.090 0.000 1.274 215 Y CB -0.016 38.547 38.460 0.171 0.000 1.097 215 Y HN 0.364 nan 8.280 nan 0.000 0.523 216 Q N -0.582 119.215 119.800 -0.004 0.000 2.198 216 Q HA 0.261 4.601 4.340 -0.001 0.000 0.209 216 Q C 1.985 177.798 176.000 -0.312 0.000 0.848 216 Q CA 0.227 55.836 55.803 -0.323 0.000 0.974 216 Q CB 0.516 29.008 28.738 -0.410 0.000 1.115 216 Q HN 0.442 nan 8.270 nan 0.000 0.494 217 A N 0.736 123.445 122.820 -0.184 0.000 1.940 217 A HA -0.148 4.171 4.320 -0.001 0.000 0.219 217 A C 2.111 179.422 177.584 -0.455 0.000 1.176 217 A CA 1.854 53.793 52.037 -0.163 0.000 0.631 217 A CB -0.892 18.145 19.000 0.061 0.000 0.814 217 A HN 0.493 nan 8.150 nan 0.000 0.446 218 G N -0.899 107.425 108.800 -0.793 0.000 2.408 218 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.217 218 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.217 218 G C 1.462 175.901 174.900 -0.767 0.000 1.150 218 G CA 1.089 45.367 45.100 -1.370 0.000 0.776 218 G HN 0.319 nan 8.290 nan 0.000 0.542 219 V N 0.450 119.977 119.914 -0.645 0.000 2.427 219 V HA -0.120 3.999 4.120 -0.001 0.000 0.248 219 V C 2.935 178.890 176.094 -0.231 0.000 1.051 219 V CA 1.912 64.014 62.300 -0.330 0.000 1.048 219 V CB -0.371 31.099 31.823 -0.588 0.000 0.666 219 V HN 0.248 nan 8.190 nan 0.000 0.456 220 R N -0.296 120.034 120.500 -0.283 0.000 2.090 220 R HA -0.032 4.307 4.340 -0.001 0.000 0.228 220 R C 2.429 178.674 176.300 -0.091 0.000 1.110 220 R CA 0.773 56.765 56.100 -0.181 0.000 0.973 220 R CB -0.265 29.933 30.300 -0.170 0.000 0.869 220 R HN 0.212 nan 8.270 nan 0.000 0.440 221 K N -0.211 120.094 120.400 -0.157 0.000 2.097 221 K HA -0.050 4.269 4.320 -0.001 0.000 0.205 221 K C 1.745 178.396 176.600 0.085 0.000 1.050 221 K CA 1.062 57.309 56.287 -0.066 0.000 0.938 221 K CB -0.163 32.231 32.500 -0.177 0.000 0.718 221 K HN 0.073 nan 8.250 nan 0.000 0.442 222 F N 1.165 121.069 119.950 -0.077 0.000 2.095 222 F HA -0.123 4.404 4.527 -0.001 0.000 0.298 222 F C -0.725 175.282 175.800 0.345 0.000 1.104 222 F CA 0.707 58.636 58.000 -0.118 0.000 1.232 222 F CB -1.698 37.153 39.000 -0.248 0.000 0.987 222 F HN 0.109 nan 8.300 nan 0.000 0.475 223 P HA -0.157 nan 4.420 nan 0.000 0.216 223 P C 1.458 179.146 177.300 0.646 0.000 1.153 223 P CA 1.949 65.465 63.100 0.695 0.000 0.848 223 P CB -0.098 31.799 31.700 0.329 0.000 0.787 224 K N -0.684 119.958 120.400 0.403 0.000 2.103 224 K HA -0.075 4.244 4.320 -0.001 0.000 0.207 224 K C 2.100 178.913 176.600 0.355 0.000 1.048 224 K CA 1.449 57.930 56.287 0.322 0.000 0.930 224 K CB -0.518 32.101 32.500 0.200 0.000 0.716 224 K HN 0.196 nan 8.250 nan 0.000 0.444 225 M N 0.576 120.432 119.600 0.427 0.000 2.296 225 M HA -0.113 4.367 4.480 -0.001 0.000 0.265 225 M C 2.129 178.746 176.300 0.529 0.000 1.064 225 M CA 1.013 56.603 55.300 0.484 0.000 1.109 225 M CB -0.180 32.760 32.600 0.567 0.000 1.396 225 M HN -0.052 nan 8.290 nan 0.000 0.430 226 V N 0.428 120.699 119.914 0.596 0.000 2.358 226 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 226 V C 2.663 178.768 176.094 0.018 0.000 1.047 226 V CA 1.980 64.428 62.300 0.247 0.000 1.035 226 V CB -1.132 30.815 31.823 0.206 0.000 0.658 226 V HN 0.486 nan 8.190 nan 0.000 0.452 227 A N -0.766 122.175 122.820 0.202 0.000 1.898 227 A HA -0.132 4.187 4.320 -0.001 0.000 0.216 227 A C 1.569 179.201 177.584 0.079 0.000 1.181 227 A CA 1.058 53.178 52.037 0.138 0.000 0.620 227 A CB -0.232 18.971 19.000 0.339 0.000 0.819 227 A HN 0.601 nan 8.150 nan 0.000 0.442 228 Q N 0.171 120.051 119.800 0.133 0.000 2.626 228 Q HA 0.366 4.706 4.340 -0.001 0.000 0.239 228 Q C -1.095 174.964 176.000 0.099 0.000 1.101 228 Q CA -0.255 55.607 55.803 0.098 0.000 0.918 228 Q CB 1.025 29.831 28.738 0.115 0.000 1.151 228 Q HN 0.375 nan 8.270 nan 0.000 0.531 229 R N 1.714 122.237 120.500 0.039 0.000 2.351 229 R HA 0.066 4.405 4.340 -0.001 0.000 0.318 229 R C -0.337 175.971 176.300 0.013 0.000 1.055 229 R CA -0.101 56.008 56.100 0.016 0.000 0.968 229 R CB 0.005 30.262 30.300 -0.072 0.000 0.974 229 R HN 0.533 nan 8.270 nan 0.000 0.439 230 D N 1.191 121.617 120.400 0.043 0.000 2.358 230 D HA -0.039 4.600 4.640 -0.001 0.000 0.244 230 D C 0.612 176.912 176.300 0.000 0.000 1.163 230 D CA -0.645 53.380 54.000 0.042 0.000 0.945 230 D CB 0.790 41.645 40.800 0.093 0.000 1.152 230 D HN 0.168 nan 8.370 nan 0.000 0.451 231 Q N 0.620 120.428 119.800 0.013 0.000 2.135 231 Q HA -0.209 4.131 4.340 -0.001 0.000 0.204 231 Q C 2.139 178.137 176.000 -0.003 0.000 0.981 231 Q CA 1.953 57.757 55.803 0.001 0.000 0.856 231 Q CB -0.831 27.916 28.738 0.016 0.000 0.902 231 Q HN 0.741 nan 8.270 nan 0.000 0.425 232 A N -0.131 122.708 122.820 0.031 0.000 1.902 232 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 232 A C 2.546 180.112 177.584 -0.031 0.000 1.181 232 A CA 1.623 53.696 52.037 0.059 0.000 0.623 232 A CB -1.252 17.835 19.000 0.145 0.000 0.818 232 A HN 0.557 nan 8.150 nan 0.000 0.443 233 C N -0.442 118.751 119.300 -0.180 0.000 2.432 233 C HA -0.079 4.380 4.460 -0.001 0.000 0.277 233 C C 2.561 177.279 174.990 -0.454 0.000 1.249 233 C CA 1.166 59.760 59.018 -0.707 0.000 1.725 233 C CB -1.415 25.939 27.740 -0.642 0.000 2.028 233 C HN 0.588 nan 8.230 nan 0.000 0.477 234 I N 1.099 121.533 120.570 -0.227 0.000 2.179 234 I HA -0.169 4.000 4.170 -0.001 0.000 0.242 234 I C 2.246 178.312 176.117 -0.085 0.000 1.088 234 I CA 2.085 63.300 61.300 -0.142 0.000 1.357 234 I CB -0.613 37.335 38.000 -0.087 0.000 1.051 234 I HN 0.339 nan 8.210 nan 0.000 0.409 235 D N 0.937 121.306 120.400 -0.052 0.000 2.104 235 D HA -0.153 4.486 4.640 -0.001 0.000 0.194 235 D C 2.229 178.535 176.300 0.009 0.000 0.994 235 D CA 1.445 55.439 54.000 -0.009 0.000 0.830 235 D CB -0.252 40.554 40.800 0.011 0.000 0.959 235 D HN 0.337 nan 8.370 nan 0.000 0.452 236 I N 0.494 121.072 120.570 0.013 0.000 2.252 236 I HA -0.214 3.955 4.170 -0.001 0.000 0.245 236 I C 2.298 178.457 176.117 0.069 0.000 1.102 236 I CA 0.742 62.087 61.300 0.075 0.000 1.385 236 I CB -0.125 37.993 38.000 0.197 0.000 1.064 236 I HN -0.109 nan 8.210 nan 0.000 0.414 237 S N 0.195 115.893 115.700 -0.003 0.000 2.368 237 S HA -0.160 4.309 4.470 -0.001 0.000 0.225 237 S C 2.057 176.695 174.600 0.064 0.000 1.030 237 S CA 1.942 60.155 58.200 0.022 0.000 0.999 237 S CB -0.335 62.812 63.200 -0.087 0.000 0.844 237 S HN 0.457 nan 8.310 nan 0.000 0.459 238 T N 1.488 116.063 114.554 0.035 0.000 2.821 238 T HA -0.061 4.288 4.350 -0.001 0.000 0.267 238 T C 1.762 176.506 174.700 0.074 0.000 1.046 238 T CA 1.012 63.144 62.100 0.053 0.000 1.139 238 T CB -0.188 68.693 68.868 0.021 0.000 0.871 238 T HN 0.478 nan 8.240 nan 0.000 0.454 239 E N 0.891 121.130 120.200 0.066 0.000 2.150 239 E HA -0.066 4.283 4.350 -0.001 0.000 0.193 239 E C 2.396 179.055 176.600 0.098 0.000 0.985 239 E CA 0.793 57.236 56.400 0.071 0.000 0.814 239 E CB -0.139 29.593 29.700 0.053 0.000 0.752 239 E HN 0.471 nan 8.360 nan 0.000 0.466 240 A N 1.359 124.251 122.820 0.120 0.000 1.933 240 A HA -0.171 4.148 4.320 -0.001 0.000 0.218 240 A C 2.132 179.902 177.584 0.309 0.000 1.175 240 A CA 1.073 53.214 52.037 0.173 0.000 0.628 240 A CB -0.597 18.554 19.000 0.251 0.000 0.814 240 A HN 0.315 nan 8.150 nan 0.000 0.444 241 I N -0.658 120.087 120.570 0.291 0.000 2.151 241 I HA -0.275 3.894 4.170 -0.001 0.000 0.243 241 I C 2.851 179.108 176.117 0.233 0.000 1.080 241 I CA 1.782 63.264 61.300 0.303 0.000 1.339 241 I CB -0.304 37.816 38.000 0.199 0.000 1.039 241 I HN 0.435 nan 8.210 nan 0.000 0.409 242 S N 0.336 116.128 115.700 0.152 0.000 2.399 242 S HA -0.220 4.249 4.470 -0.001 0.000 0.231 242 S C 2.001 176.639 174.600 0.064 0.000 1.022 242 S CA 1.191 59.450 58.200 0.097 0.000 0.983 242 S CB -0.436 62.809 63.200 0.075 0.000 0.803 242 S HN 0.436 nan 8.310 nan 0.000 0.480 243 F N 0.717 120.616 119.950 -0.086 0.000 2.075 243 F HA -0.051 4.475 4.527 -0.001 0.000 0.297 243 F C 1.656 177.316 175.800 -0.233 0.000 1.113 243 F CA 1.769 59.630 58.000 -0.233 0.000 1.218 243 F CB -0.711 38.014 39.000 -0.459 0.000 0.984 243 F HN 0.309 nan 8.300 nan 0.000 0.472 244 W N 0.659 121.984 121.300 0.041 0.000 2.363 244 W HA -0.146 4.514 4.660 -0.001 0.000 0.296 244 W C 2.715 179.224 176.519 -0.016 0.000 1.212 244 W CA 1.362 58.685 57.345 -0.037 0.000 1.260 244 W CB -0.643 28.828 29.460 0.019 0.000 1.131 244 W HN 0.116 nan 8.180 nan 0.000 0.530 245 Q N 0.016 119.926 119.800 0.182 0.000 2.020 245 Q HA -0.154 4.186 4.340 -0.001 0.000 0.198 245 Q C 1.888 177.912 176.000 0.041 0.000 0.974 245 Q CA 1.380 57.255 55.803 0.119 0.000 0.829 245 Q CB -0.126 28.671 28.738 0.099 0.000 0.894 245 Q HN 0.287 nan 8.270 nan 0.000 0.433 246 N N -0.248 118.435 118.700 -0.027 0.000 2.436 246 N HA -0.038 4.701 4.740 -0.001 0.000 0.178 246 N C 0.867 176.298 175.510 -0.132 0.000 1.026 246 N CA 0.825 53.842 53.050 -0.056 0.000 0.880 246 N CB 0.189 38.656 38.487 -0.034 0.000 1.061 246 N HN 0.200 nan 8.380 nan 0.000 0.434 247 D N -0.171 120.058 120.400 -0.286 0.000 2.277 247 D HA -0.060 4.579 4.640 -0.001 0.000 0.209 247 D C 0.460 176.485 176.300 -0.458 0.000 0.970 247 D CA -0.043 53.731 54.000 -0.378 0.000 0.874 247 D CB 0.206 40.747 40.800 -0.431 0.000 0.982 247 D HN 0.264 nan 8.370 nan 0.000 0.504 248 W N 2.847 123.618 121.300 -0.881 0.000 2.489 248 W HA 0.006 4.665 4.660 -0.001 0.000 0.327 248 W C 0.120 176.517 176.519 -0.204 0.000 1.436 248 W CA 0.189 57.185 57.345 -0.582 0.000 1.315 248 W CB 0.295 29.518 29.460 -0.396 0.000 1.373 248 W HN -0.119 nan 8.180 nan 0.000 0.557 249 N N 4.476 122.766 118.700 -0.683 0.000 2.299 249 N HA 0.088 4.828 4.740 -0.001 0.000 0.246 249 N C 0.386 175.408 175.510 -0.813 0.000 1.254 249 N CA -0.094 52.602 53.050 -0.591 0.000 0.879 249 N CB 1.188 39.480 38.487 -0.325 0.000 1.214 249 N HN 0.396 nan 8.380 nan 0.000 0.510 250 G N 0.173 107.969 108.800 -1.673 0.000 2.522 250 G HA2 0.288 4.247 3.960 -0.001 0.000 0.304 250 G HA3 0.288 4.247 3.960 -0.001 0.000 0.304 250 G C -0.141 174.458 174.900 -0.502 0.000 1.210 250 G CA -0.279 44.080 45.100 -1.236 0.000 0.960 250 G HN 0.078 nan 8.290 nan 0.000 0.497 251 Q N -0.203 119.516 119.800 -0.135 0.000 2.304 251 Q HA 0.343 4.682 4.340 -0.001 0.000 0.260 251 Q C -0.448 175.864 176.000 0.520 0.000 0.965 251 Q CA 0.404 56.301 55.803 0.158 0.000 0.898 251 Q CB 0.989 29.705 28.738 -0.037 0.000 1.196 251 Q HN 0.362 nan 8.270 nan 0.000 0.402 252 T N 2.667 117.628 114.554 0.678 0.000 2.841 252 T HA 0.547 4.896 4.350 -0.001 0.000 0.283 252 T C -1.344 173.680 174.700 0.539 0.000 1.000 252 T CA -0.486 62.001 62.100 0.646 0.000 0.977 252 T CB 0.655 69.814 68.868 0.485 0.000 0.979 252 T HN 0.381 nan 8.240 nan 0.000 0.446 253 F N 3.492 123.585 119.950 0.239 0.000 2.539 253 F HA 0.707 5.233 4.527 -0.001 0.000 0.318 253 F C -0.780 174.973 175.800 -0.078 0.000 1.135 253 F CA -1.091 56.834 58.000 -0.125 0.000 0.915 253 F CB 1.580 40.337 39.000 -0.405 0.000 1.176 253 F HN 0.486 nan 8.300 nan 0.000 0.440 254 M N 5.820 124.968 119.600 -0.754 0.000 2.456 254 M HA 0.833 5.312 4.480 -0.001 0.000 0.324 254 M C -1.752 174.137 176.300 -0.684 0.000 1.124 254 M CA -0.505 54.476 55.300 -0.533 0.000 0.959 254 M CB 1.713 34.087 32.600 -0.377 0.000 1.692 254 M HN 0.761 nan 8.290 nan 0.000 0.444 255 A N 6.058 128.667 122.820 -0.351 0.000 2.375 255 A HA 0.703 5.022 4.320 -0.001 0.000 0.295 255 A C -1.331 176.139 177.584 -0.191 0.000 1.066 255 A CA -0.671 51.226 52.037 -0.234 0.000 0.722 255 A CB 0.867 19.851 19.000 -0.027 0.000 1.206 255 A HN 0.885 nan 8.150 nan 0.000 0.435 256 I N 2.293 122.737 120.570 -0.210 0.000 2.336 256 I HA 0.412 4.582 4.170 -0.001 0.000 0.292 256 I C 1.046 177.061 176.117 -0.171 0.000 0.991 256 I CA -0.559 60.615 61.300 -0.210 0.000 1.227 256 I CB 1.988 39.829 38.000 -0.266 0.000 1.366 256 I HN 0.741 nan 8.210 nan 0.000 0.466 257 G N 6.825 115.526 108.800 -0.166 0.000 2.508 257 G HA2 0.155 4.114 3.960 -0.001 0.000 0.301 257 G HA3 0.155 4.114 3.960 -0.001 0.000 0.301 257 G C 1.001 175.812 174.900 -0.149 0.000 0.965 257 G CA -0.470 44.526 45.100 -0.173 0.000 1.339 257 G HN 0.522 nan 8.290 nan 0.000 0.455 258 M N 1.598 121.111 119.600 -0.146 0.000 2.358 258 M HA -0.039 4.441 4.480 -0.001 0.000 0.264 258 M C 2.091 178.344 176.300 -0.079 0.000 1.064 258 M CA 1.216 56.454 55.300 -0.103 0.000 1.093 258 M CB -0.516 32.032 32.600 -0.086 0.000 1.401 258 M HN 0.444 nan 8.290 nan 0.000 0.440 259 K N -0.056 120.290 120.400 -0.090 0.000 2.487 259 K HA -0.036 4.283 4.320 -0.001 0.000 0.192 259 K C 0.138 176.720 176.600 -0.029 0.000 1.027 259 K CA -0.080 56.174 56.287 -0.055 0.000 1.054 259 K CB -0.019 32.445 32.500 -0.059 0.000 0.824 259 K HN 0.145 nan 8.250 nan 0.000 0.510 260 D N 1.574 121.948 120.400 -0.044 0.000 2.339 260 D HA 0.014 4.653 4.640 -0.001 0.000 0.256 260 D C 0.519 176.794 176.300 -0.043 0.000 1.214 260 D CA 0.347 54.326 54.000 -0.035 0.000 0.877 260 D CB 0.940 41.701 40.800 -0.064 0.000 1.111 260 D HN -0.077 nan 8.370 nan 0.000 0.478 261 K N 2.745 123.147 120.400 0.003 0.000 2.097 261 K HA -0.110 4.209 4.320 -0.001 0.000 0.205 261 K C 1.735 178.318 176.600 -0.029 0.000 1.050 261 K CA 1.258 57.562 56.287 0.028 0.000 0.938 261 K CB -0.052 32.524 32.500 0.126 0.000 0.718 261 K HN 0.484 nan 8.250 nan 0.000 0.442 262 L N -1.830 119.298 121.223 -0.158 0.000 2.116 262 L HA 0.093 4.432 4.340 -0.001 0.000 0.200 262 L C 1.330 177.898 176.870 -0.504 0.000 1.084 262 L CA 1.056 55.696 54.840 -0.333 0.000 0.766 262 L CB -0.450 41.291 42.059 -0.531 0.000 0.930 262 L HN -0.107 nan 8.230 nan 0.000 0.453 263 L N 1.096 122.033 121.223 -0.477 0.000 3.073 263 L HA 0.482 4.821 4.340 -0.001 0.000 0.242 263 L C 0.897 177.630 176.870 -0.228 0.000 1.317 263 L CA -0.370 54.235 54.840 -0.392 0.000 1.081 263 L CB -0.233 41.614 42.059 -0.352 0.000 1.456 263 L HN 0.421 nan 8.230 nan 0.000 0.525 264 G N 0.310 109.002 108.800 -0.180 0.000 2.714 264 G HA2 0.214 4.173 3.960 -0.001 0.000 0.197 264 G HA3 0.214 4.173 3.960 -0.001 0.000 0.197 264 G C -1.752 173.074 174.900 -0.123 0.000 1.449 264 G CA -0.494 44.524 45.100 -0.137 0.000 1.065 264 G HN 0.037 nan 8.290 nan 0.000 0.575 265 P HA -0.107 nan 4.420 nan 0.000 0.216 265 P C 1.028 178.373 177.300 0.076 0.000 1.154 265 P CA 1.894 64.968 63.100 -0.043 0.000 0.865 265 P CB -0.119 31.641 31.700 0.099 0.000 0.789 266 D N -1.725 118.717 120.400 0.072 0.000 2.350 266 D HA -0.087 4.552 4.640 -0.001 0.000 0.216 266 D C 1.410 177.769 176.300 0.099 0.000 0.968 266 D CA 0.598 54.653 54.000 0.092 0.000 0.894 266 D CB -0.809 40.030 40.800 0.066 0.000 0.909 266 D HN 0.073 nan 8.370 nan 0.000 0.520 267 V N -0.088 119.863 119.914 0.061 0.000 2.672 267 V HA -0.006 4.113 4.120 -0.001 0.000 0.242 267 V C 2.092 178.241 176.094 0.092 0.000 1.059 267 V CA 0.647 63.023 62.300 0.126 0.000 1.081 267 V CB -0.031 31.758 31.823 -0.057 0.000 0.752 267 V HN 0.164 nan 8.190 nan 0.000 0.472 268 M N -0.989 118.569 119.600 -0.071 0.000 2.254 268 M HA -0.034 4.445 4.480 -0.001 0.000 0.265 268 M C 2.212 178.416 176.300 -0.160 0.000 1.066 268 M CA 1.645 56.836 55.300 -0.181 0.000 1.123 268 M CB -1.026 31.377 32.600 -0.328 0.000 1.388 268 M HN 0.355 nan 8.290 nan 0.000 0.425 269 Y N 0.060 120.354 120.300 -0.009 0.000 2.263 269 Y HA -0.056 4.493 4.550 -0.001 0.000 0.292 269 Y C -0.294 175.616 175.900 0.016 0.000 1.130 269 Y CA 0.858 58.953 58.100 -0.009 0.000 1.179 269 Y CB -2.310 36.140 38.460 -0.017 0.000 0.998 269 Y HN 0.223 nan 8.280 nan 0.000 0.532 270 P HA -0.240 nan 4.420 nan 0.000 0.214 270 P C 1.875 179.303 177.300 0.213 0.000 1.163 270 P CA 1.620 64.810 63.100 0.150 0.000 0.889 270 P CB -0.047 31.709 31.700 0.094 0.000 0.790 271 M N -0.185 119.559 119.600 0.241 0.000 2.108 271 M HA -0.189 4.290 4.480 -0.001 0.000 0.261 271 M C 2.017 178.319 176.300 0.003 0.000 1.066 271 M CA 1.787 57.142 55.300 0.092 0.000 1.107 271 M CB -1.073 31.459 32.600 -0.113 0.000 1.356 271 M HN -0.243 nan 8.290 nan 0.000 0.406 272 K N -0.646 119.753 120.400 -0.002 0.000 2.020 272 K HA -0.180 4.140 4.320 -0.001 0.000 0.212 272 K C 1.798 178.433 176.600 0.059 0.000 1.050 272 K CA 1.803 58.095 56.287 0.008 0.000 0.929 272 K CB -0.376 32.147 32.500 0.039 0.000 0.714 272 K HN 0.369 nan 8.250 nan 0.000 0.443 273 A N 1.086 123.957 122.820 0.086 0.000 2.024 273 A HA -0.126 4.193 4.320 -0.001 0.000 0.220 273 A C 2.017 179.653 177.584 0.087 0.000 1.164 273 A CA 1.395 53.480 52.037 0.081 0.000 0.643 273 A CB -0.444 18.598 19.000 0.070 0.000 0.806 273 A HN 0.377 nan 8.150 nan 0.000 0.451 274 L N -0.992 120.291 121.223 0.099 0.000 2.375 274 L HA 0.218 4.557 4.340 -0.001 0.000 0.215 274 L C 0.160 177.128 176.870 0.163 0.000 1.108 274 L CA 0.008 54.926 54.840 0.130 0.000 0.830 274 L CB -0.131 42.022 42.059 0.157 0.000 0.959 274 L HN 0.224 nan 8.230 nan 0.000 0.457 275 I N 1.250 121.890 120.570 0.118 0.000 2.301 275 I HA 0.049 4.219 4.170 -0.001 0.000 0.292 275 I C 0.190 176.456 176.117 0.248 0.000 1.046 275 I CA -0.496 60.913 61.300 0.181 0.000 1.282 275 I CB 0.457 38.463 38.000 0.010 0.000 1.409 275 I HN 0.053 nan 8.210 nan 0.000 0.484 276 N N 5.215 124.111 118.700 0.326 0.000 2.301 276 N HA -0.027 4.713 4.740 -0.001 0.000 0.267 276 N C 1.137 176.815 175.510 0.280 0.000 1.304 276 N CA 1.555 54.761 53.050 0.261 0.000 0.851 276 N CB 0.510 39.133 38.487 0.226 0.000 1.070 276 N HN 0.870 nan 8.380 nan 0.000 0.483 277 G N 2.542 111.448 108.800 0.176 0.000 2.168 277 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.257 277 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.257 277 G C 0.542 175.560 174.900 0.197 0.000 0.997 277 G CA 0.328 45.525 45.100 0.161 0.000 0.708 277 G HN 0.849 nan 8.290 nan 0.000 0.520 278 C N 3.107 122.519 119.300 0.187 0.000 2.648 278 C HA 0.480 4.939 4.460 -0.001 0.000 0.406 278 C C 0.095 175.140 174.990 0.090 0.000 1.406 278 C CA -1.056 58.044 59.018 0.136 0.000 1.610 278 C CB -0.171 27.613 27.740 0.073 0.000 2.451 278 C HN 0.567 nan 8.230 nan 0.000 0.608 279 P HA 0.134 nan 4.420 nan 0.000 0.293 279 P C -0.513 176.781 177.300 -0.011 0.000 1.298 279 P CA -0.101 63.034 63.100 0.058 0.000 0.757 279 P CB 0.359 32.128 31.700 0.115 0.000 1.262 280 E N 1.103 121.305 120.200 0.003 0.000 2.417 280 E HA 0.071 4.420 4.350 -0.001 0.000 0.261 280 E C -1.579 174.949 176.600 -0.119 0.000 1.000 280 E CA -0.993 55.401 56.400 -0.010 0.000 0.919 280 E CB -0.317 29.396 29.700 0.021 0.000 0.955 280 E HN 0.334 nan 8.360 nan 0.000 0.455 281 P HA -0.030 nan 4.420 nan 0.000 0.268 281 P C -0.325 176.830 177.300 -0.242 0.000 1.204 281 P CA -0.349 62.584 63.100 -0.277 0.000 0.768 281 P CB 0.540 32.061 31.700 -0.298 0.000 0.842 282 L N 3.462 124.476 121.223 -0.347 0.000 2.407 282 L HA 0.136 4.475 4.340 -0.001 0.000 0.282 282 L C 0.229 177.018 176.870 -0.136 0.000 1.110 282 L CA 0.336 55.073 54.840 -0.170 0.000 0.863 282 L CB -0.531 41.479 42.059 -0.081 0.000 1.207 282 L HN 0.283 nan 8.230 nan 0.000 0.454 283 E N 6.201 126.349 120.200 -0.087 0.000 1.996 283 E HA 0.190 4.539 4.350 -0.001 0.000 0.280 283 E C -0.620 175.936 176.600 -0.072 0.000 1.092 283 E CA -0.282 56.065 56.400 -0.088 0.000 0.862 283 E CB 0.573 30.244 29.700 -0.049 0.000 1.066 283 E HN 0.519 nan 8.360 nan 0.000 0.396 284 I N 3.110 123.621 120.570 -0.098 0.000 2.329 284 I HA 0.017 4.186 4.170 -0.001 0.000 0.295 284 I C 1.360 177.374 176.117 -0.172 0.000 1.109 284 I CA 0.248 61.476 61.300 -0.119 0.000 1.297 284 I CB 1.024 38.936 38.000 -0.147 0.000 1.433 284 I HN 0.589 nan 8.210 nan 0.000 0.509 285 A N 4.203 126.953 122.820 -0.117 0.000 1.978 285 A HA -0.180 4.139 4.320 -0.001 0.000 0.220 285 A C 1.740 179.233 177.584 -0.151 0.000 1.170 285 A CA 1.680 53.654 52.037 -0.105 0.000 0.636 285 A CB -0.279 18.690 19.000 -0.051 0.000 0.810 285 A HN 0.673 nan 8.150 nan 0.000 0.448 286 D N -0.734 119.528 120.400 -0.231 0.000 2.350 286 D HA 0.323 4.962 4.640 -0.001 0.000 0.213 286 D C 0.587 176.496 176.300 -0.652 0.000 1.031 286 D CA 0.760 54.593 54.000 -0.279 0.000 0.861 286 D CB 0.110 40.873 40.800 -0.063 0.000 0.926 286 D HN 0.409 nan 8.370 nan 0.000 0.520 287 A N 0.367 122.681 122.820 -0.843 0.000 2.309 287 A HA 0.618 4.937 4.320 -0.001 0.000 0.298 287 A C 0.998 178.392 177.584 -0.317 0.000 1.165 287 A CA -0.186 51.320 52.037 -0.885 0.000 0.821 287 A CB 1.019 19.536 19.000 -0.806 0.000 1.102 287 A HN 0.133 nan 8.150 nan 0.000 0.500 288 G N -0.314 108.408 108.800 -0.130 0.000 2.975 288 G HA2 0.259 4.218 3.960 -0.001 0.000 0.159 288 G HA3 0.259 4.218 3.960 -0.001 0.000 0.159 288 G C 0.905 175.793 174.900 -0.020 0.000 1.525 288 G CA 0.596 45.689 45.100 -0.011 0.000 1.075 288 G HN 0.904 nan 8.290 nan 0.000 0.574 289 H N -0.493 118.489 119.070 -0.148 0.000 2.357 289 H HA 0.066 4.621 4.556 -0.001 0.000 0.301 289 H C 0.588 175.639 175.328 -0.462 0.000 1.082 289 H CA 0.659 56.463 56.048 -0.406 0.000 1.342 289 H CB -0.300 29.064 29.762 -0.664 0.000 1.389 289 H HN 0.144 nan 8.280 nan 0.000 0.511 290 F N 0.797 120.749 119.950 0.003 0.000 2.605 290 F HA 0.168 4.694 4.527 -0.001 0.000 0.352 290 F C 1.197 177.012 175.800 0.024 0.000 1.236 290 F CA -0.370 57.605 58.000 -0.042 0.000 1.267 290 F CB 0.198 39.237 39.000 0.064 0.000 1.632 290 F HN -0.080 nan 8.300 nan 0.000 0.639 291 V N 0.802 120.738 119.914 0.036 0.000 2.594 291 V HA -0.279 3.840 4.120 -0.001 0.000 0.253 291 V C 1.917 178.102 176.094 0.152 0.000 1.069 291 V CA 1.594 63.937 62.300 0.072 0.000 1.082 291 V CB -0.683 31.127 31.823 -0.022 0.000 0.680 291 V HN 0.558 nan 8.190 nan 0.000 0.469 292 Q N -0.191 119.656 119.800 0.078 0.000 2.364 292 Q HA -0.137 4.202 4.340 -0.001 0.000 0.209 292 Q C 2.127 178.157 176.000 0.051 0.000 0.977 292 Q CA 0.917 56.726 55.803 0.010 0.000 0.885 292 Q CB -0.231 28.377 28.738 -0.218 0.000 0.941 292 Q HN 0.544 nan 8.270 nan 0.000 0.464 293 E N -0.482 119.812 120.200 0.157 0.000 2.338 293 E HA -0.085 4.264 4.350 -0.001 0.000 0.197 293 E C -0.009 176.563 176.600 -0.046 0.000 1.007 293 E CA 0.695 57.154 56.400 0.099 0.000 0.849 293 E CB 0.134 29.948 29.700 0.191 0.000 0.774 293 E HN 0.375 nan 8.360 nan 0.000 0.506 294 F N -0.245 119.715 119.950 0.017 0.000 2.925 294 F HA 0.308 4.834 4.527 -0.001 0.000 0.302 294 F C 1.743 177.536 175.800 -0.011 0.000 1.189 294 F CA -0.352 57.651 58.000 0.006 0.000 1.346 294 F CB 0.443 39.453 39.000 0.016 0.000 0.954 294 F HN -0.098 nan 8.300 nan 0.000 0.506 295 G N -0.442 108.400 108.800 0.070 0.000 2.511 295 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.217 295 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.217 295 G C 1.546 176.412 174.900 -0.056 0.000 1.133 295 G CA 0.369 45.479 45.100 0.016 0.000 0.792 295 G HN 0.401 nan 8.290 nan 0.000 0.539 296 E N 0.089 120.244 120.200 -0.075 0.000 2.077 296 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 296 E C 2.342 178.899 176.600 -0.072 0.000 0.989 296 E CA 1.363 57.699 56.400 -0.107 0.000 0.800 296 E CB -0.148 29.496 29.700 -0.094 0.000 0.746 296 E HN 0.587 nan 8.360 nan 0.000 0.452 297 Q N -0.104 119.692 119.800 -0.007 0.000 2.020 297 Q HA -0.160 4.179 4.340 -0.001 0.000 0.202 297 Q C 2.219 178.237 176.000 0.029 0.000 0.982 297 Q CA 1.947 57.766 55.803 0.026 0.000 0.838 297 Q CB 0.041 28.830 28.738 0.086 0.000 0.899 297 Q HN 0.264 nan 8.270 nan 0.000 0.423 298 V N 1.312 121.265 119.914 0.065 0.000 2.287 298 V HA -0.317 3.802 4.120 -0.001 0.000 0.248 298 V C 2.439 178.544 176.094 0.018 0.000 1.053 298 V CA 1.971 64.338 62.300 0.112 0.000 1.027 298 V CB -1.268 30.650 31.823 0.159 0.000 0.646 298 V HN 0.528 nan 8.190 nan 0.000 0.447 299 A N -0.093 122.691 122.820 -0.061 0.000 1.877 299 A HA -0.214 4.106 4.320 -0.001 0.000 0.216 299 A C 2.398 179.915 177.584 -0.111 0.000 1.186 299 A CA 1.868 53.815 52.037 -0.150 0.000 0.620 299 A CB -0.500 18.114 19.000 -0.644 0.000 0.822 299 A HN 0.506 nan 8.150 nan 0.000 0.443 300 R N -0.449 119.974 120.500 -0.129 0.000 2.081 300 R HA -0.095 4.244 4.340 -0.001 0.000 0.235 300 R C 2.065 178.294 176.300 -0.118 0.000 1.131 300 R CA 1.354 57.397 56.100 -0.095 0.000 0.960 300 R CB -0.281 29.977 30.300 -0.070 0.000 0.856 300 R HN 0.528 nan 8.270 nan 0.000 0.436 301 E N 0.590 120.702 120.200 -0.147 0.000 2.106 301 E HA -0.139 4.210 4.350 -0.001 0.000 0.192 301 E C 1.986 178.195 176.600 -0.652 0.000 0.984 301 E CA 1.218 57.493 56.400 -0.209 0.000 0.806 301 E CB -0.136 29.553 29.700 -0.017 0.000 0.750 301 E HN 0.339 nan 8.360 nan 0.000 0.458 302 A N 1.403 123.618 122.820 -1.008 0.000 1.873 302 A HA -0.107 4.212 4.320 -0.001 0.000 0.215 302 A C 2.379 179.525 177.584 -0.730 0.000 1.186 302 A CA 0.947 52.081 52.037 -1.505 0.000 0.616 302 A CB -0.687 17.772 19.000 -0.901 0.000 0.823 302 A HN 0.150 nan 8.150 nan 0.000 0.442 303 L N -0.756 120.338 121.223 -0.215 0.000 2.093 303 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 303 L C 2.631 179.516 176.870 0.024 0.000 1.085 303 L CA 1.821 56.694 54.840 0.055 0.000 0.755 303 L CB -0.419 41.713 42.059 0.122 0.000 0.904 303 L HN 0.454 nan 8.230 nan 0.000 0.435 304 K N -0.669 119.699 120.400 -0.052 0.000 2.026 304 K HA -0.247 4.072 4.320 -0.001 0.000 0.208 304 K C 2.357 178.963 176.600 0.009 0.000 1.048 304 K CA 1.319 57.600 56.287 -0.010 0.000 0.929 304 K CB -0.216 32.274 32.500 -0.016 0.000 0.713 304 K HN 0.329 nan 8.250 nan 0.000 0.439 305 H N -0.352 118.634 119.070 -0.139 0.000 2.290 305 H HA -0.168 4.388 4.556 -0.001 0.000 0.298 305 H C 1.885 177.271 175.328 0.096 0.000 1.087 305 H CA 2.083 58.103 56.048 -0.046 0.000 1.291 305 H CB -0.089 29.616 29.762 -0.096 0.000 1.369 305 H HN 0.160 nan 8.280 nan 0.000 0.492 306 F N 0.913 120.912 119.950 0.082 0.000 2.171 306 F HA -0.073 4.454 4.527 -0.001 0.000 0.300 306 F C 3.009 178.797 175.800 -0.020 0.000 1.090 306 F CA 0.932 58.961 58.000 0.048 0.000 1.293 306 F CB -1.245 37.824 39.000 0.115 0.000 1.013 306 F HN 0.272 nan 8.300 nan 0.000 0.486 307 A N -0.222 122.708 122.820 0.183 0.000 1.930 307 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 307 A C 1.739 179.345 177.584 0.037 0.000 1.175 307 A CA 1.201 53.295 52.037 0.095 0.000 0.627 307 A CB -0.732 18.316 19.000 0.079 0.000 0.815 307 A HN 0.403 nan 8.150 nan 0.000 0.443 308 E N -0.545 119.657 120.200 0.004 0.000 2.320 308 E HA 0.124 4.474 4.350 -0.001 0.000 0.189 308 E C 0.333 176.895 176.600 -0.063 0.000 1.100 308 E CA 0.380 56.765 56.400 -0.025 0.000 1.009 308 E CB 0.091 29.778 29.700 -0.021 0.000 1.145 308 E HN 0.581 nan 8.360 nan 0.000 0.454 309 T N -1.037 113.486 114.554 -0.052 0.000 3.511 309 T HA 0.026 4.376 4.350 -0.001 0.000 0.220 309 T C -0.520 174.172 174.700 -0.014 0.000 0.962 309 T CA -0.431 61.638 62.100 -0.051 0.000 1.099 309 T CB 0.728 69.535 68.868 -0.103 0.000 1.197 309 T HN -0.002 nan 8.240 nan 0.000 0.343 310 E N 0.000 120.201 120.200 0.001 0.000 2.725 310 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 310 E CA 0.000 56.387 56.400 -0.022 0.000 0.976 310 E CB 0.000 29.688 29.700 -0.020 0.000 0.812 310 E HN 0.000 nan 8.360 nan 0.000 0.440