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 1al7_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEITNVNEYE AIAKQKLPKM VYDYYASGAE DQWTLAENRN AFSRILFRPR DATA SEQUENCE ILIDVTNIDM TTTILGFKIS MPIMIAPTAM QKMAHPEGEY ATARAASAAG DATA SEQUENCE TIMTLSSWAT SSVEEVASTG PGIRFFQLYV YKDRNVVAQL VRRAERAGFK DATA SEQUENCE AIALTVDTPR LGRREADIKN RFVLPPFLTL KNFEGIDLXX XXXXXXXGLS DATA SEQUENCE SYVAGQIDRS LSWKDVAWLQ TITSLPILVK GVITAEDARL AVQHGAAGII DATA SEQUENCE VSNHGARQLD YVPATIMALE EVVKAAQGRI PVFLDGGVRR GTDVFKALAL DATA SEQUENCE GAAGVFIGRP VVFSLAAEGE AGVKKVLQMM RDEFELTMAL SGCRSLKEIS DATA SEQUENCE RSHIAADWD 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 0.000 176.285 176.300 -0.026 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.022 0.000 1.302 2 E N 1.548 121.726 120.200 -0.037 0.000 2.405 2 E HA 0.432 4.782 4.350 0.000 0.000 0.283 2 E C -1.778 174.781 176.600 -0.068 0.000 1.140 2 E CA -0.621 55.754 56.400 -0.042 0.000 0.904 2 E CB 1.912 31.596 29.700 -0.027 0.000 1.209 2 E HN 0.787 nan 8.360 nan 0.000 0.428 3 I N 3.270 123.783 120.570 -0.095 0.000 2.452 3 I HA 0.074 4.244 4.170 0.000 0.000 0.287 3 I C 1.363 177.422 176.117 -0.096 0.000 1.079 3 I CA 0.627 61.832 61.300 -0.159 0.000 1.387 3 I CB 0.810 38.626 38.000 -0.307 0.000 1.404 3 I HN 0.650 nan 8.210 nan 0.000 0.522 4 T N 0.999 115.502 114.554 -0.086 0.000 3.003 4 T HA 0.196 4.546 4.350 0.000 0.000 0.261 4 T C 0.110 174.792 174.700 -0.031 0.000 1.003 4 T CA -0.362 61.712 62.100 -0.045 0.000 0.917 4 T CB -0.191 68.656 68.868 -0.035 0.000 1.084 4 T HN 0.691 nan 8.240 nan 0.000 0.522 5 N N -0.843 117.828 118.700 -0.048 0.000 2.405 5 N HA 0.407 5.147 4.740 0.000 0.000 0.274 5 N C 0.435 175.948 175.510 0.004 0.000 1.170 5 N CA -0.813 52.230 53.050 -0.011 0.000 0.848 5 N CB 1.284 39.766 38.487 -0.008 0.000 1.629 5 N HN -0.201 nan 8.380 nan 0.000 0.481 6 V N 1.611 121.569 119.914 0.074 0.000 2.278 6 V HA -0.334 3.786 4.120 0.000 0.000 0.251 6 V C 1.732 177.928 176.094 0.169 0.000 1.062 6 V CA 2.412 64.813 62.300 0.169 0.000 1.038 6 V CB -1.220 30.684 31.823 0.135 0.000 0.646 6 V HN 0.783 nan 8.190 nan 0.000 0.447 7 N N -0.263 118.491 118.700 0.090 0.000 2.258 7 N HA -0.219 4.522 4.740 0.000 0.000 0.187 7 N C 1.683 177.207 175.510 0.022 0.000 1.012 7 N CA 1.311 54.404 53.050 0.072 0.000 0.870 7 N CB -0.194 38.316 38.487 0.037 0.000 0.977 7 N HN 0.635 nan 8.380 nan 0.000 0.434 8 E N -0.443 119.732 120.200 -0.042 0.000 2.338 8 E HA -0.165 4.185 4.350 0.000 0.000 0.197 8 E C 0.902 177.420 176.600 -0.137 0.000 1.007 8 E CA 0.582 56.910 56.400 -0.120 0.000 0.849 8 E CB -0.007 29.580 29.700 -0.189 0.000 0.774 8 E HN 0.522 nan 8.360 nan 0.000 0.506 9 Y N 1.208 121.516 120.300 0.013 0.000 2.293 9 Y HA -0.151 4.399 4.550 0.000 0.000 0.291 9 Y C 2.303 178.173 175.900 -0.050 0.000 1.137 9 Y CA 1.127 59.249 58.100 0.036 0.000 1.202 9 Y CB -0.137 38.394 38.460 0.118 0.000 0.990 9 Y HN 0.075 nan 8.280 nan 0.000 0.537 10 E N -0.037 120.131 120.200 -0.053 0.000 2.085 10 E HA -0.264 4.086 4.350 0.000 0.000 0.194 10 E C 2.330 178.745 176.600 -0.309 0.000 0.994 10 E CA 1.218 57.277 56.400 -0.568 0.000 0.801 10 E CB -0.161 29.206 29.700 -0.555 0.000 0.743 10 E HN 0.414 nan 8.360 nan 0.000 0.453 11 A N 0.802 123.522 122.820 -0.166 0.000 1.902 11 A HA -0.163 4.157 4.320 0.000 0.000 0.217 11 A C 2.152 179.666 177.584 -0.118 0.000 1.181 11 A CA 1.437 53.386 52.037 -0.147 0.000 0.623 11 A CB -0.580 18.358 19.000 -0.103 0.000 0.818 11 A HN 0.333 nan 8.150 nan 0.000 0.443 12 I N -0.294 120.251 120.570 -0.042 0.000 2.202 12 I HA -0.248 3.922 4.170 0.000 0.000 0.242 12 I C 2.992 179.136 176.117 0.046 0.000 1.091 12 I CA 0.975 62.286 61.300 0.019 0.000 1.368 12 I CB -0.430 37.625 38.000 0.093 0.000 1.058 12 I HN 0.346 nan 8.210 nan 0.000 0.410 13 A N 0.923 123.798 122.820 0.091 0.000 1.883 13 A HA -0.295 4.025 4.320 0.000 0.000 0.217 13 A C 2.411 180.048 177.584 0.088 0.000 1.186 13 A CA 2.169 54.321 52.037 0.192 0.000 0.624 13 A CB -0.630 18.587 19.000 0.362 0.000 0.822 13 A HN 0.365 nan 8.150 nan 0.000 0.444 14 K N -0.244 120.034 120.400 -0.204 0.000 2.032 14 K HA -0.267 4.053 4.320 0.000 0.000 0.209 14 K C 2.337 178.754 176.600 -0.305 0.000 1.048 14 K CA 1.899 57.782 56.287 -0.673 0.000 0.927 14 K CB -0.245 31.635 32.500 -1.032 0.000 0.712 14 K HN 0.713 nan 8.250 nan 0.000 0.441 15 Q N 0.755 120.449 119.800 -0.177 0.000 2.437 15 Q HA -0.165 4.175 4.340 0.000 0.000 0.210 15 Q C 1.314 177.301 176.000 -0.022 0.000 0.972 15 Q CA 1.674 57.423 55.803 -0.090 0.000 0.903 15 Q CB 0.051 28.751 28.738 -0.064 0.000 0.967 15 Q HN 0.407 nan 8.270 nan 0.000 0.486 16 K N -0.740 119.671 120.400 0.018 0.000 2.399 16 K HA 0.252 4.572 4.320 0.000 0.000 0.196 16 K C 0.326 176.986 176.600 0.100 0.000 1.117 16 K CA -0.261 56.064 56.287 0.064 0.000 0.965 16 K CB 0.215 32.767 32.500 0.088 0.000 0.983 16 K HN 0.060 nan 8.250 nan 0.000 0.531 17 L N 2.869 124.176 121.223 0.141 0.000 2.453 17 L HA 0.334 4.674 4.340 0.000 0.000 0.261 17 L C -2.190 174.779 176.870 0.166 0.000 1.179 17 L CA -2.370 52.592 54.840 0.202 0.000 0.813 17 L CB 0.367 42.629 42.059 0.339 0.000 1.110 17 L HN -0.041 nan 8.230 nan 0.000 0.466 18 P HA 0.076 nan 4.420 nan 0.000 0.275 18 P C 0.179 177.586 177.300 0.178 0.000 1.228 18 P CA -0.432 62.749 63.100 0.136 0.000 0.786 18 P CB 0.736 32.507 31.700 0.118 0.000 0.927 19 K N 2.582 123.073 120.400 0.151 0.000 2.052 19 K HA -0.258 4.062 4.320 0.000 0.000 0.215 19 K C 1.732 178.464 176.600 0.220 0.000 1.053 19 K CA 2.006 58.405 56.287 0.186 0.000 0.934 19 K CB -0.357 32.223 32.500 0.133 0.000 0.717 19 K HN 0.464 nan 8.250 nan 0.000 0.450 20 M N 0.574 120.287 119.600 0.189 0.000 2.082 20 M HA -0.208 4.272 4.480 0.000 0.000 0.258 20 M C 1.858 178.326 176.300 0.281 0.000 1.069 20 M CA 1.885 57.327 55.300 0.236 0.000 1.102 20 M CB -0.050 32.673 32.600 0.204 0.000 1.336 20 M HN 0.067 nan 8.290 nan 0.000 0.404 21 V N -0.307 119.749 119.914 0.237 0.000 2.307 21 V HA -0.274 3.846 4.120 0.000 0.000 0.245 21 V C 2.208 178.369 176.094 0.112 0.000 1.045 21 V CA 2.078 64.472 62.300 0.157 0.000 1.024 21 V CB -1.265 30.658 31.823 0.167 0.000 0.651 21 V HN 0.619 nan 8.190 nan 0.000 0.449 22 Y N 1.601 122.004 120.300 0.171 0.000 2.114 22 Y HA -0.256 4.294 4.550 -0.000 0.000 0.284 22 Y C 2.418 178.438 175.900 0.199 0.000 1.143 22 Y CA 2.068 60.320 58.100 0.254 0.000 1.135 22 Y CB -0.500 38.080 38.460 0.199 0.000 0.980 22 Y HN 0.301 nan 8.280 nan 0.000 0.499 23 D N -0.796 119.653 120.400 0.082 0.000 2.123 23 D HA -0.254 4.386 4.640 0.000 0.000 0.196 23 D C 1.973 178.201 176.300 -0.120 0.000 0.992 23 D CA 1.793 55.773 54.000 -0.033 0.000 0.833 23 D CB -0.826 40.029 40.800 0.092 0.000 0.954 23 D HN 0.528 nan 8.370 nan 0.000 0.455 24 Y N 0.722 120.880 120.300 -0.236 0.000 2.128 24 Y HA -0.306 4.244 4.550 0.000 0.000 0.284 24 Y C 1.965 177.710 175.900 -0.258 0.000 1.154 24 Y CA 1.512 59.360 58.100 -0.420 0.000 1.149 24 Y CB -0.630 37.366 38.460 -0.774 0.000 0.976 24 Y HN -0.047 nan 8.280 nan 0.000 0.505 25 Y N -0.385 119.652 120.300 -0.438 0.000 2.263 25 Y HA 0.060 4.610 4.550 -0.000 0.000 0.292 25 Y C 2.663 178.343 175.900 -0.366 0.000 1.130 25 Y CA 0.804 58.610 58.100 -0.490 0.000 1.179 25 Y CB -1.239 37.068 38.460 -0.254 0.000 0.998 25 Y HN 0.230 nan 8.280 nan 0.000 0.532 26 A N -0.159 122.559 122.820 -0.171 0.000 2.021 26 A HA 0.032 4.352 4.320 0.000 0.000 0.216 26 A C 1.483 178.993 177.584 -0.124 0.000 1.163 26 A CA 0.545 52.492 52.037 -0.150 0.000 0.676 26 A CB -0.933 17.723 19.000 -0.574 0.000 0.818 26 A HN 0.332 nan 8.150 nan 0.000 0.453 27 S N -0.625 114.981 115.700 -0.156 0.000 2.579 27 S HA 0.521 4.991 4.470 0.000 0.000 0.275 27 S C 0.527 175.077 174.600 -0.084 0.000 1.345 27 S CA -0.177 57.965 58.200 -0.097 0.000 1.031 27 S CB 1.155 64.306 63.200 -0.082 0.000 0.892 27 S HN 0.672 nan 8.310 nan 0.000 0.529 28 G N -0.095 108.675 108.800 -0.051 0.000 2.938 28 G HA2 0.690 4.650 3.960 0.000 0.000 0.258 28 G HA3 0.690 4.650 3.960 0.000 0.000 0.258 28 G C -0.574 174.303 174.900 -0.039 0.000 1.356 28 G CA -0.823 44.252 45.100 -0.042 0.000 1.052 28 G HN 1.184 nan 8.290 nan 0.000 0.550 29 A N -0.880 121.920 122.820 -0.034 0.000 2.328 29 A HA 0.603 4.923 4.320 0.000 0.000 0.284 29 A C 0.802 178.372 177.584 -0.023 0.000 1.160 29 A CA 0.543 52.560 52.037 -0.033 0.000 0.818 29 A CB -0.215 18.764 19.000 -0.035 0.000 1.087 29 A HN 0.909 nan 8.150 nan 0.000 0.504 30 E N 0.840 121.033 120.200 -0.011 0.000 3.365 30 E HA -0.297 4.053 4.350 0.000 0.000 0.433 30 E C 0.029 176.637 176.600 0.014 0.000 1.581 30 E CA 1.978 58.382 56.400 0.007 0.000 1.316 30 E CB -0.765 28.948 29.700 0.021 0.000 1.452 30 E HN 0.791 nan 8.360 nan 0.000 0.452 31 D N 1.381 121.794 120.400 0.022 0.000 2.363 31 D HA -0.019 4.621 4.640 0.000 0.000 0.226 31 D C -0.047 176.268 176.300 0.025 0.000 1.020 31 D CA 0.920 54.944 54.000 0.040 0.000 0.892 31 D CB -0.003 40.849 40.800 0.087 0.000 0.900 31 D HN 0.292 nan 8.370 nan 0.000 0.531 32 Q N -1.563 118.231 119.800 -0.009 0.000 2.451 32 Q HA -0.239 4.101 4.340 0.000 0.000 0.305 32 Q C 0.404 176.398 176.000 -0.010 0.000 1.345 32 Q CA 0.278 56.071 55.803 -0.016 0.000 0.854 32 Q CB -2.116 26.616 28.738 -0.010 0.000 1.162 32 Q HN 0.538 nan 8.270 nan 0.000 0.440 33 W N 0.284 121.427 121.300 -0.261 0.000 2.441 33 W HA -0.071 4.588 4.660 -0.000 0.000 0.302 33 W C 2.034 178.441 176.519 -0.187 0.000 1.191 33 W CA 1.792 58.980 57.345 -0.262 0.000 1.327 33 W CB -0.031 29.103 29.460 -0.542 0.000 1.128 33 W HN 0.167 nan 8.180 nan 0.000 0.522 34 T N 1.687 116.291 114.554 0.083 0.000 2.915 34 T HA -0.202 4.148 4.350 0.000 0.000 0.269 34 T C 1.621 176.245 174.700 -0.126 0.000 1.071 34 T CA 1.347 63.443 62.100 -0.007 0.000 1.132 34 T CB -0.509 68.437 68.868 0.130 0.000 0.878 34 T HN 0.099 nan 8.240 nan 0.000 0.479 35 L N 1.649 122.814 121.223 -0.096 0.000 1.976 35 L HA 0.017 4.357 4.340 0.000 0.000 0.209 35 L C 2.648 179.450 176.870 -0.114 0.000 1.071 35 L CA 2.074 56.870 54.840 -0.073 0.000 0.746 35 L CB -1.052 40.979 42.059 -0.047 0.000 0.890 35 L HN 0.211 nan 8.230 nan 0.000 0.432 36 A N -0.882 121.830 122.820 -0.180 0.000 1.902 36 A HA -0.268 4.052 4.320 0.000 0.000 0.217 36 A C 2.259 179.676 177.584 -0.279 0.000 1.181 36 A CA 1.819 53.733 52.037 -0.206 0.000 0.623 36 A CB -0.792 18.062 19.000 -0.243 0.000 0.818 36 A HN 0.584 nan 8.150 nan 0.000 0.443 37 E N 0.481 120.388 120.200 -0.488 0.000 2.110 37 E HA -0.178 4.172 4.350 0.000 0.000 0.193 37 E C 1.745 178.197 176.600 -0.246 0.000 0.988 37 E CA 1.455 57.545 56.400 -0.516 0.000 0.804 37 E CB -0.270 28.847 29.700 -0.971 0.000 0.745 37 E HN 0.528 nan 8.360 nan 0.000 0.458 38 N N 0.167 118.773 118.700 -0.156 0.000 2.149 38 N HA -0.142 4.598 4.740 0.000 0.000 0.188 38 N C 1.570 177.113 175.510 0.055 0.000 1.019 38 N CA 0.983 54.004 53.050 -0.049 0.000 0.857 38 N CB -0.051 38.441 38.487 0.008 0.000 0.997 38 N HN 0.133 nan 8.380 nan 0.000 0.426 39 R N 0.483 121.016 120.500 0.056 0.000 2.066 39 R HA 0.163 4.503 4.340 0.000 0.000 0.224 39 R C 1.534 177.918 176.300 0.140 0.000 1.122 39 R CA 0.483 56.676 56.100 0.155 0.000 0.974 39 R CB -0.920 29.428 30.300 0.080 0.000 0.871 39 R HN 0.279 nan 8.270 nan 0.000 0.435 40 N N 1.586 120.293 118.700 0.012 0.000 2.205 40 N HA -0.123 4.617 4.740 0.000 0.000 0.186 40 N C 1.635 177.150 175.510 0.009 0.000 1.015 40 N CA 1.416 54.463 53.050 -0.006 0.000 0.862 40 N CB -0.319 38.117 38.487 -0.085 0.000 0.986 40 N HN 0.202 nan 8.380 nan 0.000 0.429 41 A N 0.432 123.225 122.820 -0.046 0.000 1.940 41 A HA -0.102 4.218 4.320 0.000 0.000 0.219 41 A C 1.899 179.470 177.584 -0.021 0.000 1.176 41 A CA 0.957 52.956 52.037 -0.063 0.000 0.631 41 A CB -0.914 17.986 19.000 -0.165 0.000 0.814 41 A HN 0.178 nan 8.150 nan 0.000 0.446 42 F N 1.002 120.981 119.950 0.048 0.000 2.202 42 F HA -0.153 4.374 4.527 -0.000 0.000 0.301 42 F C 2.575 178.375 175.800 -0.000 0.000 1.082 42 F CA 1.584 59.608 58.000 0.041 0.000 1.313 42 F CB -0.435 38.588 39.000 0.038 0.000 1.024 42 F HN 0.128 nan 8.300 nan 0.000 0.495 43 S N -0.567 115.232 115.700 0.165 0.000 2.547 43 S HA -0.073 4.397 4.470 0.000 0.000 0.235 43 S C 1.554 176.175 174.600 0.035 0.000 0.980 43 S CA 0.530 58.776 58.200 0.076 0.000 0.941 43 S CB -0.321 62.914 63.200 0.058 0.000 0.763 43 S HN 0.373 nan 8.310 nan 0.000 0.532 44 R N 0.465 120.994 120.500 0.048 0.000 2.466 44 R HA 0.357 4.697 4.340 0.000 0.000 0.279 44 R C -0.455 175.819 176.300 -0.044 0.000 0.976 44 R CA 0.172 56.292 56.100 0.033 0.000 1.081 44 R CB 0.179 30.545 30.300 0.109 0.000 1.215 44 R HN 0.343 nan 8.270 nan 0.000 0.546 45 I N 1.606 122.129 120.570 -0.079 0.000 2.466 45 I HA 0.337 4.507 4.170 0.000 0.000 0.289 45 I C -0.390 175.572 176.117 -0.258 0.000 1.026 45 I CA -0.743 60.446 61.300 -0.185 0.000 1.078 45 I CB 1.913 39.842 38.000 -0.118 0.000 1.249 45 I HN -0.166 nan 8.210 nan 0.000 0.429 46 L N 4.554 125.619 121.223 -0.264 0.000 2.313 46 L HA 0.608 4.948 4.340 0.000 0.000 0.268 46 L C -0.815 175.894 176.870 -0.267 0.000 1.010 46 L CA -0.814 53.850 54.840 -0.293 0.000 0.814 46 L CB 1.571 43.550 42.059 -0.133 0.000 1.304 46 L HN 0.298 nan 8.230 nan 0.000 0.441 47 F N 0.243 120.195 119.950 0.003 0.000 2.378 47 F HA 0.497 5.024 4.527 -0.000 0.000 0.325 47 F C 0.455 176.255 175.800 -0.000 0.000 1.097 47 F CA -0.676 57.324 58.000 0.000 0.000 1.079 47 F CB 0.842 39.801 39.000 -0.069 0.000 1.240 47 F HN 0.225 nan 8.300 nan 0.000 0.519 48 R N 1.675 122.330 120.500 0.259 0.000 2.653 48 R HA 0.239 4.579 4.340 0.000 0.000 0.269 48 R C -2.782 173.583 176.300 0.108 0.000 1.603 48 R CA -1.493 54.681 56.100 0.123 0.000 1.671 48 R CB 0.600 30.943 30.300 0.072 0.000 1.300 48 R HN 0.308 nan 8.270 nan 0.000 0.668 49 P HA 0.063 nan 4.420 nan 0.000 0.269 49 P C -0.588 176.728 177.300 0.027 0.000 1.209 49 P CA -0.210 62.905 63.100 0.025 0.000 0.776 49 P CB 0.869 32.525 31.700 -0.073 0.000 0.876 50 R N 2.589 123.122 120.500 0.054 0.000 2.294 50 R HA 0.416 4.756 4.340 0.000 0.000 0.319 50 R C 0.398 176.704 176.300 0.009 0.000 0.984 50 R CA -0.916 55.203 56.100 0.031 0.000 0.861 50 R CB 0.252 30.592 30.300 0.067 0.000 1.104 50 R HN 0.495 nan 8.270 nan 0.000 0.451 51 I N -1.118 119.450 120.570 -0.005 0.000 3.062 51 I HA 0.361 4.531 4.170 0.000 0.000 0.318 51 I C 0.673 176.784 176.117 -0.009 0.000 1.026 51 I CA -0.819 60.472 61.300 -0.014 0.000 1.096 51 I CB 0.340 38.330 38.000 -0.018 0.000 1.348 51 I HN 0.579 nan 8.210 nan 0.000 0.543 52 L N 1.024 122.238 121.223 -0.014 0.000 3.677 52 L HA -0.173 4.167 4.340 0.000 0.000 0.464 52 L C -0.919 175.947 176.870 -0.007 0.000 1.278 52 L CA 0.463 55.296 54.840 -0.011 0.000 0.806 52 L CB -1.782 40.271 42.059 -0.009 0.000 1.610 52 L HN 0.509 nan 8.230 nan 0.000 0.867 53 I N -0.544 120.020 120.570 -0.009 0.000 2.545 53 I HA 0.244 4.414 4.170 0.000 0.000 0.292 53 I C 0.442 176.552 176.117 -0.012 0.000 1.040 53 I CA -0.707 60.590 61.300 -0.004 0.000 1.068 53 I CB 1.973 39.977 38.000 0.007 0.000 1.251 53 I HN -0.031 nan 8.210 nan 0.000 0.424 54 D N 5.876 126.270 120.400 -0.010 0.000 2.356 54 D HA 0.048 4.688 4.640 0.000 0.000 0.272 54 D C 0.307 176.595 176.300 -0.020 0.000 1.337 54 D CA 0.163 54.154 54.000 -0.014 0.000 0.970 54 D CB 0.711 41.505 40.800 -0.010 0.000 1.092 54 D HN 0.295 nan 8.370 nan 0.000 0.516 55 V N 1.873 121.770 119.914 -0.028 0.000 2.852 55 V HA 0.222 4.342 4.120 0.000 0.000 0.359 55 V C 1.288 177.359 176.094 -0.039 0.000 1.244 55 V CA -0.462 61.814 62.300 -0.039 0.000 1.371 55 V CB 0.108 31.898 31.823 -0.055 0.000 1.491 55 V HN 0.295 nan 8.190 nan 0.000 0.603 56 T N 1.143 115.679 114.554 -0.029 0.000 2.770 56 T HA 0.030 4.380 4.350 0.000 0.000 0.263 56 T C 0.785 175.469 174.700 -0.027 0.000 1.039 56 T CA 1.447 63.531 62.100 -0.026 0.000 1.142 56 T CB -0.201 68.656 68.868 -0.019 0.000 0.868 56 T HN 0.622 nan 8.240 nan 0.000 0.435 57 N N 1.626 120.311 118.700 -0.026 0.000 2.443 57 N HA 0.354 5.094 4.740 0.000 0.000 0.269 57 N C -1.307 174.184 175.510 -0.031 0.000 0.985 57 N CA -0.360 52.675 53.050 -0.024 0.000 0.921 57 N CB 1.547 40.024 38.487 -0.016 0.000 1.195 57 N HN 0.135 nan 8.380 nan 0.000 0.492 58 I N 1.345 121.892 120.570 -0.038 0.000 2.336 58 I HA 0.190 4.360 4.170 0.000 0.000 0.292 58 I C 0.144 176.242 176.117 -0.031 0.000 0.991 58 I CA -0.511 60.758 61.300 -0.051 0.000 1.227 58 I CB 1.334 39.283 38.000 -0.086 0.000 1.366 58 I HN 0.358 nan 8.210 nan 0.000 0.466 59 D N 6.469 126.856 120.400 -0.021 0.000 2.392 59 D HA 0.397 5.037 4.640 0.000 0.000 0.228 59 D C 0.378 176.695 176.300 0.028 0.000 1.074 59 D CA -0.260 53.742 54.000 0.004 0.000 0.838 59 D CB 1.096 41.900 40.800 0.006 0.000 1.067 59 D HN 0.411 nan 8.370 nan 0.000 0.511 60 M N 1.603 121.238 119.600 0.059 0.000 2.371 60 M HA 0.080 4.560 4.480 0.000 0.000 0.246 60 M C 0.662 177.027 176.300 0.107 0.000 1.103 60 M CA -0.154 55.230 55.300 0.139 0.000 1.010 60 M CB 0.349 33.073 32.600 0.206 0.000 1.457 60 M HN 0.379 nan 8.290 nan 0.000 0.486 61 T N -1.071 113.520 114.554 0.063 0.000 2.918 61 T HA 0.316 4.666 4.350 0.000 0.000 0.302 61 T C 0.068 174.797 174.700 0.048 0.000 1.045 61 T CA -0.170 61.958 62.100 0.046 0.000 1.114 61 T CB 1.656 70.543 68.868 0.032 0.000 0.965 61 T HN 0.150 nan 8.240 nan 0.000 0.540 62 T N 0.559 115.140 114.554 0.045 0.000 2.843 62 T HA 0.551 4.901 4.350 0.000 0.000 0.302 62 T C -1.213 173.525 174.700 0.062 0.000 1.232 62 T CA -0.709 61.421 62.100 0.051 0.000 1.009 62 T CB 1.784 70.684 68.868 0.054 0.000 1.254 62 T HN 0.782 nan 8.240 nan 0.000 0.504 63 T N 3.362 117.957 114.554 0.068 0.000 2.821 63 T HA 0.546 4.896 4.350 0.000 0.000 0.307 63 T C -0.273 174.503 174.700 0.126 0.000 1.034 63 T CA -0.352 61.796 62.100 0.081 0.000 0.953 63 T CB -0.072 68.821 68.868 0.041 0.000 0.968 63 T HN 0.460 nan 8.240 nan 0.000 0.462 64 I N 4.182 124.871 120.570 0.199 0.000 2.328 64 I HA 0.293 4.463 4.170 0.000 0.000 0.287 64 I C 0.407 176.736 176.117 0.353 0.000 1.012 64 I CA -0.678 60.812 61.300 0.316 0.000 1.195 64 I CB 0.934 39.149 38.000 0.358 0.000 1.350 64 I HN 0.667 nan 8.210 nan 0.000 0.464 65 L N 6.910 128.284 121.223 0.250 0.000 3.717 65 L HA -0.313 4.027 4.340 0.000 0.000 0.414 65 L C 1.207 177.928 176.870 -0.249 0.000 1.228 65 L CA 0.682 55.599 54.840 0.128 0.000 0.918 65 L CB -1.842 40.413 42.059 0.328 0.000 1.865 65 L HN 1.110 nan 8.230 nan 0.000 0.922 66 G N -2.066 106.604 108.800 -0.217 0.000 2.268 66 G HA2 -0.330 3.630 3.960 0.000 0.000 0.240 66 G HA3 -0.330 3.630 3.960 0.000 0.000 0.240 66 G C 0.095 174.753 174.900 -0.404 0.000 1.010 66 G CA 0.227 45.100 45.100 -0.378 0.000 0.618 66 G HN 0.253 nan 8.290 nan 0.000 0.516 67 F N 1.398 121.397 119.950 0.082 0.000 2.396 67 F HA 0.654 5.181 4.527 0.000 0.000 0.343 67 F C 0.612 176.435 175.800 0.039 0.000 1.104 67 F CA -0.765 57.269 58.000 0.057 0.000 1.161 67 F CB 1.462 40.502 39.000 0.068 0.000 1.146 67 F HN 0.079 nan 8.300 nan 0.000 0.522 68 K N 5.266 125.770 120.400 0.175 0.000 2.234 68 K HA 0.618 4.938 4.320 0.000 0.000 0.277 68 K C -0.936 175.709 176.600 0.075 0.000 1.038 68 K CA -0.325 56.020 56.287 0.097 0.000 0.888 68 K CB 0.337 32.874 32.500 0.061 0.000 1.091 68 K HN 0.672 nan 8.250 nan 0.000 0.467 69 I N 0.576 121.175 120.570 0.049 0.000 2.957 69 I HA 0.445 4.615 4.170 0.000 0.000 0.310 69 I C 0.871 176.989 176.117 0.003 0.000 1.063 69 I CA -0.761 60.542 61.300 0.006 0.000 1.033 69 I CB 2.192 40.171 38.000 -0.035 0.000 1.230 69 I HN 0.684 nan 8.210 nan 0.000 0.447 70 S N 3.301 118.994 115.700 -0.013 0.000 2.382 70 S HA 0.009 4.479 4.470 0.000 0.000 0.228 70 S C 0.649 175.258 174.600 0.015 0.000 1.027 70 S CA 0.966 59.166 58.200 -0.000 0.000 0.991 70 S CB -0.452 62.742 63.200 -0.010 0.000 0.823 70 S HN 0.766 nan 8.310 nan 0.000 0.469 71 M N -1.445 118.149 119.600 -0.009 0.000 2.622 71 M HA 0.524 5.004 4.480 0.000 0.000 0.276 71 M C -3.076 173.178 176.300 -0.077 0.000 1.265 71 M CA -2.049 53.248 55.300 -0.005 0.000 0.850 71 M CB 1.896 34.495 32.600 -0.001 0.000 1.720 71 M HN -0.320 nan 8.290 nan 0.000 0.465 72 P HA 0.352 nan 4.420 nan 0.000 0.236 72 P C -0.911 176.227 177.300 -0.270 0.000 1.709 72 P CA 0.302 63.297 63.100 -0.175 0.000 0.942 72 P CB -0.403 31.194 31.700 -0.171 0.000 1.615 73 I N 0.725 121.136 120.570 -0.264 0.000 2.448 73 I HA 0.371 4.541 4.170 0.000 0.000 0.281 73 I C 0.277 176.213 176.117 -0.302 0.000 1.027 73 I CA -0.645 60.489 61.300 -0.277 0.000 1.111 73 I CB 1.500 39.375 38.000 -0.208 0.000 1.236 73 I HN -0.165 nan 8.210 nan 0.000 0.452 74 M N 5.609 124.932 119.600 -0.462 0.000 2.777 74 M HA 0.604 5.084 4.480 0.000 0.000 0.307 74 M C -0.573 175.589 176.300 -0.231 0.000 1.228 74 M CA -0.691 54.327 55.300 -0.471 0.000 0.871 74 M CB 2.540 34.603 32.600 -0.896 0.000 1.721 74 M HN 0.298 nan 8.290 nan 0.000 0.487 75 I N 1.216 121.751 120.570 -0.058 0.000 2.353 75 I HA 0.470 4.640 4.170 0.000 0.000 0.293 75 I C 0.068 176.328 176.117 0.239 0.000 0.992 75 I CA -0.712 60.621 61.300 0.057 0.000 1.268 75 I CB 1.524 39.511 38.000 -0.021 0.000 1.387 75 I HN 0.719 nan 8.210 nan 0.000 0.478 76 A N 8.793 131.723 122.820 0.183 0.000 2.322 76 A HA 0.572 4.892 4.320 0.000 0.000 0.269 76 A C -2.361 175.197 177.584 -0.044 0.000 1.094 76 A CA -1.378 50.685 52.037 0.043 0.000 0.807 76 A CB -0.103 18.887 19.000 -0.016 0.000 1.047 76 A HN 0.474 nan 8.150 nan 0.000 0.487 77 P HA 0.168 nan 4.420 nan 0.000 0.281 77 P C 0.207 177.461 177.300 -0.076 0.000 1.286 77 P CA 0.119 63.174 63.100 -0.075 0.000 0.772 77 P CB 0.760 32.389 31.700 -0.119 0.000 0.862 78 T N 1.741 116.277 114.554 -0.030 0.000 4.030 78 T HA 0.740 5.090 4.350 0.000 0.000 0.282 78 T C 0.264 175.025 174.700 0.102 0.000 1.102 78 T CA -0.529 61.561 62.100 -0.017 0.000 1.138 78 T CB 0.031 68.855 68.868 -0.072 0.000 2.308 78 T HN 0.557 nan 8.240 nan 0.000 0.456 79 A N -0.732 122.216 122.820 0.213 0.000 2.573 79 A HA 0.544 4.864 4.320 0.000 0.000 0.299 79 A C -0.408 177.440 177.584 0.440 0.000 1.060 79 A CA -0.763 51.477 52.037 0.338 0.000 0.736 79 A CB 0.049 19.262 19.000 0.354 0.000 1.280 79 A HN 0.877 nan 8.150 nan 0.000 0.401 80 M N 1.217 121.058 119.600 0.403 0.000 2.249 80 M HA -0.239 4.241 4.480 0.000 0.000 0.198 80 M C 0.926 177.464 176.300 0.395 0.000 0.394 80 M CA 1.069 56.596 55.300 0.378 0.000 0.427 80 M CB -1.636 31.189 32.600 0.374 0.000 1.307 80 M HN 0.902 nan 8.290 nan 0.000 0.924 81 Q N 0.292 120.279 119.800 0.311 0.000 2.297 81 Q HA -0.137 4.203 4.340 0.000 0.000 0.208 81 Q C 1.543 177.709 176.000 0.277 0.000 0.981 81 Q CA 1.306 57.263 55.803 0.256 0.000 0.876 81 Q CB -0.005 28.826 28.738 0.155 0.000 0.921 81 Q HN 0.622 nan 8.270 nan 0.000 0.446 82 K N 0.006 120.565 120.400 0.265 0.000 2.515 82 K HA -0.036 4.284 4.320 0.000 0.000 0.196 82 K C 1.655 178.399 176.600 0.239 0.000 1.038 82 K CA 0.577 57.005 56.287 0.235 0.000 0.967 82 K CB 0.065 32.685 32.500 0.200 0.000 0.780 82 K HN 0.318 nan 8.250 nan 0.000 0.483 83 M N -0.478 119.305 119.600 0.306 0.000 2.419 83 M HA -0.058 4.422 4.480 0.000 0.000 0.264 83 M C 2.110 178.622 176.300 0.354 0.000 1.082 83 M CA 0.899 56.378 55.300 0.297 0.000 1.119 83 M CB 0.028 32.812 32.600 0.307 0.000 1.398 83 M HN 0.145 nan 8.290 nan 0.000 0.453 84 A N -1.295 121.777 122.820 0.420 0.000 2.030 84 A HA 0.018 4.338 4.320 0.000 0.000 0.215 84 A C 0.491 178.269 177.584 0.322 0.000 1.164 84 A CA 0.956 53.226 52.037 0.388 0.000 0.697 84 A CB -0.033 19.131 19.000 0.273 0.000 0.827 84 A HN 0.549 nan 8.150 nan 0.000 0.457 85 H N -3.192 115.972 119.070 0.158 0.000 3.140 85 H HA 0.341 4.897 4.556 -0.000 0.000 0.336 85 H C -2.668 172.718 175.328 0.097 0.000 1.142 85 H CA -0.929 55.184 56.048 0.109 0.000 1.308 85 H CB 1.414 31.224 29.762 0.080 0.000 1.970 85 H HN -0.141 nan 8.280 nan 0.000 0.521 86 P HA -0.204 nan 4.420 nan 0.000 0.218 86 P C 0.564 177.895 177.300 0.051 0.000 1.152 86 P CA 1.760 64.800 63.100 -0.100 0.000 0.857 86 P CB 0.315 31.879 31.700 -0.226 0.000 0.787 87 E N -1.327 119.013 120.200 0.234 0.000 2.285 87 E HA 0.034 4.384 4.350 0.000 0.000 0.194 87 E C 1.697 178.468 176.600 0.285 0.000 0.997 87 E CA 0.456 56.988 56.400 0.220 0.000 0.845 87 E CB -0.579 29.274 29.700 0.256 0.000 0.782 87 E HN 0.139 nan 8.360 nan 0.000 0.491 88 G N 2.052 111.026 108.800 0.290 0.000 2.700 88 G HA2 -0.489 3.471 3.960 0.000 0.000 0.350 88 G HA3 -0.489 3.471 3.960 0.000 0.000 0.350 88 G C 0.908 175.932 174.900 0.207 0.000 1.250 88 G CA 1.194 46.437 45.100 0.239 0.000 0.978 88 G HN 0.329 nan 8.290 nan 0.000 0.551 89 E N -0.096 120.234 120.200 0.215 0.000 2.209 89 E HA -0.033 4.317 4.350 0.000 0.000 0.196 89 E C 2.187 178.857 176.600 0.116 0.000 0.993 89 E CA 1.687 58.169 56.400 0.138 0.000 0.819 89 E CB -0.275 29.489 29.700 0.106 0.000 0.745 89 E HN 0.625 nan 8.360 nan 0.000 0.477 90 Y N 0.370 120.709 120.300 0.064 0.000 2.114 90 Y HA -0.212 4.338 4.550 -0.000 0.000 0.284 90 Y C 2.408 178.319 175.900 0.019 0.000 1.143 90 Y CA 1.314 59.441 58.100 0.045 0.000 1.135 90 Y CB -0.762 37.731 38.460 0.055 0.000 0.980 90 Y HN 0.079 nan 8.280 nan 0.000 0.499 91 A N -0.498 122.440 122.820 0.197 0.000 1.883 91 A HA -0.218 4.102 4.320 0.000 0.000 0.217 91 A C 2.261 179.854 177.584 0.015 0.000 1.186 91 A CA 2.430 54.505 52.037 0.063 0.000 0.624 91 A CB -1.318 17.670 19.000 -0.020 0.000 0.822 91 A HN 0.461 nan 8.150 nan 0.000 0.444 92 T N 0.337 114.901 114.554 0.016 0.000 2.788 92 T HA 0.004 4.354 4.350 0.000 0.000 0.268 92 T C 2.186 176.870 174.700 -0.026 0.000 1.044 92 T CA 1.503 63.591 62.100 -0.019 0.000 1.139 92 T CB -0.449 68.411 68.868 -0.013 0.000 0.867 92 T HN 0.606 nan 8.240 nan 0.000 0.454 93 A N 2.042 124.853 122.820 -0.014 0.000 1.877 93 A HA -0.110 4.210 4.320 0.000 0.000 0.216 93 A C 2.422 179.977 177.584 -0.048 0.000 1.186 93 A CA 1.305 53.314 52.037 -0.046 0.000 0.620 93 A CB -0.491 18.470 19.000 -0.066 0.000 0.822 93 A HN 0.392 nan 8.150 nan 0.000 0.443 94 R N -0.583 119.907 120.500 -0.016 0.000 2.081 94 R HA -0.068 4.272 4.340 0.000 0.000 0.235 94 R C 2.475 178.756 176.300 -0.032 0.000 1.131 94 R CA 1.169 57.260 56.100 -0.015 0.000 0.960 94 R CB -0.484 29.826 30.300 0.016 0.000 0.856 94 R HN 0.516 nan 8.270 nan 0.000 0.436 95 A N 1.353 124.152 122.820 -0.035 0.000 1.902 95 A HA -0.107 4.213 4.320 0.000 0.000 0.217 95 A C 2.374 179.923 177.584 -0.059 0.000 1.181 95 A CA 1.676 53.685 52.037 -0.046 0.000 0.623 95 A CB -0.550 18.417 19.000 -0.055 0.000 0.818 95 A HN 0.395 nan 8.150 nan 0.000 0.443 96 A N -0.714 122.063 122.820 -0.071 0.000 1.873 96 A HA -0.053 4.267 4.320 0.000 0.000 0.215 96 A C 2.466 179.991 177.584 -0.098 0.000 1.186 96 A CA 2.026 54.007 52.037 -0.093 0.000 0.616 96 A CB -0.953 17.981 19.000 -0.110 0.000 0.823 96 A HN 0.434 nan 8.150 nan 0.000 0.442 97 S N -0.193 115.450 115.700 -0.094 0.000 2.359 97 S HA -0.088 4.383 4.470 0.000 0.000 0.224 97 S C 2.325 176.885 174.600 -0.067 0.000 1.035 97 S CA 1.325 59.470 58.200 -0.091 0.000 1.018 97 S CB -0.509 62.640 63.200 -0.085 0.000 0.876 97 S HN 0.801 nan 8.310 nan 0.000 0.448 98 A N 1.379 124.168 122.820 -0.052 0.000 1.902 98 A HA 0.085 4.405 4.320 0.000 0.000 0.217 98 A C 2.263 179.824 177.584 -0.038 0.000 1.181 98 A CA 1.700 53.715 52.037 -0.038 0.000 0.623 98 A CB -0.969 18.014 19.000 -0.029 0.000 0.818 98 A HN 0.535 nan 8.150 nan 0.000 0.443 99 A N -1.670 121.121 122.820 -0.047 0.000 2.172 99 A HA 0.350 4.670 4.320 0.000 0.000 0.216 99 A C 1.881 179.435 177.584 -0.050 0.000 1.154 99 A CA 1.387 53.397 52.037 -0.045 0.000 0.701 99 A CB -1.100 17.867 19.000 -0.054 0.000 0.789 99 A HN 2.001 nan 8.150 nan 0.000 0.465 100 G N -1.690 107.075 108.800 -0.059 0.000 2.160 100 G HA2 -0.173 3.787 3.960 0.000 0.000 0.244 100 G HA3 -0.173 3.787 3.960 0.000 0.000 0.244 100 G C 0.297 175.148 174.900 -0.082 0.000 1.022 100 G CA 0.875 45.940 45.100 -0.059 0.000 0.741 100 G HN 1.094 nan 8.290 nan 0.000 0.508 101 T N -1.088 113.398 114.554 -0.113 0.000 2.858 101 T HA 0.725 5.075 4.350 0.000 0.000 0.285 101 T C 0.378 174.948 174.700 -0.216 0.000 1.052 101 T CA -0.650 61.357 62.100 -0.155 0.000 1.009 101 T CB 1.139 69.913 68.868 -0.157 0.000 1.241 101 T HN 0.431 nan 8.240 nan 0.000 0.542 102 I N 2.455 122.849 120.570 -0.294 0.000 2.532 102 I HA 0.419 4.589 4.170 0.000 0.000 0.292 102 I C 0.232 176.163 176.117 -0.309 0.000 1.014 102 I CA -0.470 60.583 61.300 -0.413 0.000 1.340 102 I CB 1.335 38.935 38.000 -0.668 0.000 1.422 102 I HN 0.426 nan 8.210 nan 0.000 0.528 103 M N 5.088 124.516 119.600 -0.286 0.000 2.259 103 M HA 0.376 4.856 4.480 0.000 0.000 0.304 103 M C -1.296 174.965 176.300 -0.066 0.000 1.019 103 M CA -0.311 54.908 55.300 -0.136 0.000 0.922 103 M CB 1.732 34.266 32.600 -0.111 0.000 1.600 103 M HN 0.515 nan 8.290 nan 0.000 0.433 104 T N 5.379 119.958 114.554 0.042 0.000 2.744 104 T HA 0.414 4.764 4.350 0.000 0.000 0.291 104 T C -0.442 174.334 174.700 0.127 0.000 0.957 104 T CA -0.488 61.685 62.100 0.122 0.000 1.002 104 T CB 0.810 69.713 68.868 0.058 0.000 0.919 104 T HN 0.585 nan 8.240 nan 0.000 0.468 105 L N 3.468 124.848 121.223 0.260 0.000 2.312 105 L HA 0.563 4.903 4.340 0.000 0.000 0.281 105 L C 0.448 177.373 176.870 0.091 0.000 1.070 105 L CA 0.026 55.022 54.840 0.259 0.000 0.805 105 L CB 1.484 43.839 42.059 0.493 0.000 1.174 105 L HN 0.616 nan 8.230 nan 0.000 0.434 106 S N 1.358 117.104 115.700 0.077 0.000 2.586 106 S HA 0.256 4.727 4.470 0.000 0.000 0.274 106 S C 1.273 175.928 174.600 0.092 0.000 1.281 106 S CA -0.014 58.198 58.200 0.020 0.000 1.035 106 S CB 0.945 64.224 63.200 0.132 0.000 0.962 106 S HN 0.849 nan 8.310 nan 0.000 0.512 107 S N 3.900 119.618 115.700 0.031 0.000 2.423 107 S HA -0.045 4.425 4.470 0.000 0.000 0.231 107 S C 1.176 176.068 174.600 0.487 0.000 1.014 107 S CA 0.286 58.624 58.200 0.230 0.000 0.965 107 S CB -0.383 63.025 63.200 0.345 0.000 0.785 107 S HN 0.872 nan 8.310 nan 0.000 0.495 108 W N 2.671 124.150 121.300 0.297 0.000 3.433 108 W HA 0.579 5.239 4.660 0.000 0.000 0.376 108 W C 0.648 177.315 176.519 0.247 0.000 1.160 108 W CA -0.624 56.920 57.345 0.332 0.000 1.832 108 W CB -0.233 29.411 29.460 0.306 0.000 1.011 108 W HN 0.347 nan 8.180 nan 0.000 0.766 109 A N 0.158 123.198 122.820 0.366 0.000 2.386 109 A HA 0.213 4.533 4.320 0.000 0.000 0.248 109 A C 1.178 178.897 177.584 0.226 0.000 1.082 109 A CA 0.246 52.447 52.037 0.274 0.000 0.789 109 A CB 0.381 19.512 19.000 0.218 0.000 1.025 109 A HN 0.227 nan 8.150 nan 0.000 0.490 110 T N -0.536 114.149 114.554 0.219 0.000 3.272 110 T HA 0.364 4.714 4.350 0.000 0.000 0.250 110 T C 0.253 175.062 174.700 0.182 0.000 1.082 110 T CA 0.342 62.557 62.100 0.192 0.000 0.968 110 T CB -0.568 68.423 68.868 0.206 0.000 1.015 110 T HN 0.435 nan 8.240 nan 0.000 0.563 111 S N 1.058 116.853 115.700 0.159 0.000 2.541 111 S HA 0.610 5.080 4.470 0.000 0.000 0.271 111 S C -0.308 174.332 174.600 0.067 0.000 1.133 111 S CA -1.060 57.215 58.200 0.126 0.000 0.876 111 S CB 2.079 65.333 63.200 0.091 0.000 1.105 111 S HN 0.553 nan 8.310 nan 0.000 0.470 112 S N 0.651 116.365 115.700 0.023 0.000 2.672 112 S HA 0.431 4.901 4.470 0.000 0.000 0.276 112 S C 1.728 176.298 174.600 -0.050 0.000 1.207 112 S CA -0.339 57.846 58.200 -0.025 0.000 1.002 112 S CB 0.650 63.825 63.200 -0.042 0.000 0.998 112 S HN 0.918 nan 8.310 nan 0.000 0.542 113 V N -0.415 119.416 119.914 -0.137 0.000 2.282 113 V HA -0.237 3.883 4.120 0.000 0.000 0.249 113 V C 2.492 178.590 176.094 0.007 0.000 1.057 113 V CA 2.012 64.204 62.300 -0.180 0.000 1.032 113 V CB -1.522 29.913 31.823 -0.648 0.000 0.645 113 V HN 0.965 nan 8.190 nan 0.000 0.447 114 E N 0.723 120.892 120.200 -0.051 0.000 2.150 114 E HA -0.245 4.105 4.350 0.000 0.000 0.193 114 E C 1.991 178.578 176.600 -0.021 0.000 0.985 114 E CA 1.624 58.017 56.400 -0.012 0.000 0.814 114 E CB -0.505 29.177 29.700 -0.029 0.000 0.752 114 E HN 0.793 nan 8.360 nan 0.000 0.466 115 E N 0.849 121.018 120.200 -0.051 0.000 2.077 115 E HA -0.106 4.244 4.350 0.000 0.000 0.193 115 E C 2.314 178.745 176.600 -0.280 0.000 0.989 115 E CA 1.280 57.610 56.400 -0.116 0.000 0.800 115 E CB 0.065 29.702 29.700 -0.105 0.000 0.746 115 E HN 0.085 nan 8.360 nan 0.000 0.452 116 V N 1.335 121.122 119.914 -0.212 0.000 2.295 116 V HA -0.261 3.859 4.120 0.000 0.000 0.246 116 V C 2.342 178.371 176.094 -0.108 0.000 1.049 116 V CA 1.792 63.975 62.300 -0.195 0.000 1.024 116 V CB -0.679 31.148 31.823 0.006 0.000 0.648 116 V HN 0.310 nan 8.190 nan 0.000 0.447 117 A N 0.763 123.576 122.820 -0.012 0.000 1.978 117 A HA -0.229 4.091 4.320 0.000 0.000 0.220 117 A C 2.484 180.043 177.584 -0.040 0.000 1.170 117 A CA 2.291 54.315 52.037 -0.022 0.000 0.636 117 A CB -0.692 18.339 19.000 0.052 0.000 0.810 117 A HN 0.715 nan 8.150 nan 0.000 0.448 118 S N -0.142 115.537 115.700 -0.035 0.000 2.453 118 S HA -0.165 4.305 4.470 0.000 0.000 0.231 118 S C 1.945 176.545 174.600 0.000 0.000 1.005 118 S CA 1.700 59.896 58.200 -0.008 0.000 0.949 118 S CB -1.431 61.782 63.200 0.021 0.000 0.774 118 S HN 0.834 nan 8.310 nan 0.000 0.510 119 T N -1.018 113.522 114.554 -0.023 0.000 2.737 119 T HA 0.323 4.673 4.350 0.000 0.000 0.269 119 T C 1.139 175.837 174.700 -0.003 0.000 1.040 119 T CA 1.142 63.248 62.100 0.010 0.000 1.142 119 T CB -0.970 67.890 68.868 -0.014 0.000 0.861 119 T HN 1.161 nan 8.240 nan 0.000 0.456 120 G N 0.875 109.656 108.800 -0.032 0.000 2.337 120 G HA2 0.444 4.404 3.960 0.000 0.000 0.298 120 G HA3 0.444 4.404 3.960 0.000 0.000 0.298 120 G C -3.267 171.595 174.900 -0.063 0.000 1.335 120 G CA -0.727 44.352 45.100 -0.035 0.000 0.875 120 G HN 0.264 nan 8.290 nan 0.000 0.579 121 P HA 0.577 nan 4.420 nan 0.000 0.275 121 P C 0.180 177.415 177.300 -0.109 0.000 1.228 121 P CA 0.399 63.450 63.100 -0.081 0.000 0.786 121 P CB 1.662 33.329 31.700 -0.056 0.000 0.927 122 G N 1.230 109.938 108.800 -0.154 0.000 2.404 122 G HA2 0.346 4.306 3.960 0.000 0.000 0.298 122 G HA3 0.346 4.306 3.960 0.000 0.000 0.298 122 G C -1.404 173.330 174.900 -0.276 0.000 1.577 122 G CA -0.834 44.152 45.100 -0.190 0.000 0.847 122 G HN 0.403 nan 8.290 nan 0.000 0.598 123 I N 1.210 121.594 120.570 -0.310 0.000 2.396 123 I HA 0.385 4.555 4.170 0.000 0.000 0.289 123 I C 0.653 176.468 176.117 -0.504 0.000 1.056 123 I CA -0.065 60.968 61.300 -0.445 0.000 1.365 123 I CB 0.758 38.460 38.000 -0.497 0.000 1.407 123 I HN 0.239 nan 8.210 nan 0.000 0.509 124 R N 5.491 125.677 120.500 -0.524 0.000 2.744 124 R HA 0.650 4.990 4.340 0.000 0.000 0.279 124 R C -1.397 174.871 176.300 -0.053 0.000 0.977 124 R CA -0.820 54.977 56.100 -0.505 0.000 0.906 124 R CB 2.318 32.068 30.300 -0.917 0.000 1.197 124 R HN 0.256 nan 8.270 nan 0.000 0.463 125 F N 1.091 121.057 119.950 0.028 0.000 2.538 125 F HA 0.496 5.023 4.527 -0.000 0.000 0.325 125 F C -0.322 175.755 175.800 0.462 0.000 1.066 125 F CA -1.672 56.449 58.000 0.203 0.000 0.946 125 F CB 1.241 40.286 39.000 0.074 0.000 1.199 125 F HN 0.309 nan 8.300 nan 0.000 0.473 126 F N 2.861 123.044 119.950 0.388 0.000 2.467 126 F HA 0.379 4.906 4.527 0.000 0.000 0.336 126 F C -0.285 175.533 175.800 0.030 0.000 1.123 126 F CA -0.610 57.480 58.000 0.150 0.000 0.964 126 F CB 1.175 40.130 39.000 -0.075 0.000 1.136 126 F HN 0.352 nan 8.300 nan 0.000 0.447 127 Q N 7.093 126.547 119.800 -0.577 0.000 2.241 127 Q HA 0.472 4.812 4.340 0.000 0.000 0.254 127 Q C -1.935 173.549 176.000 -0.861 0.000 0.917 127 Q CA -0.427 55.038 55.803 -0.564 0.000 0.919 127 Q CB 1.842 30.339 28.738 -0.401 0.000 1.237 127 Q HN 0.852 nan 8.270 nan 0.000 0.434 128 L N 3.584 124.453 121.223 -0.589 0.000 2.540 128 L HA 0.521 4.861 4.340 0.000 0.000 0.256 128 L C -2.162 174.447 176.870 -0.434 0.000 1.001 128 L CA -0.538 54.053 54.840 -0.415 0.000 0.843 128 L CB 1.901 43.844 42.059 -0.193 0.000 1.436 128 L HN 0.662 nan 8.230 nan 0.000 0.410 129 Y N 0.982 121.136 120.300 -0.243 0.000 2.409 129 Y HA 0.468 5.018 4.550 -0.000 0.000 0.343 129 Y C 0.304 175.857 175.900 -0.578 0.000 0.973 129 Y CA -0.699 57.144 58.100 -0.429 0.000 1.064 129 Y CB 2.166 40.286 38.460 -0.567 0.000 1.207 129 Y HN 0.256 nan 8.280 nan 0.000 0.452 130 V N 5.397 125.226 119.914 -0.142 0.000 2.377 130 V HA -0.034 4.086 4.120 0.000 0.000 0.254 130 V C -0.349 175.653 176.094 -0.154 0.000 1.060 130 V CA -0.305 61.954 62.300 -0.068 0.000 1.068 130 V CB -1.808 30.015 31.823 -0.000 0.000 1.113 130 V HN 0.547 nan 8.190 nan 0.000 0.484 131 Y N 3.149 123.529 120.300 0.134 0.000 2.281 131 Y HA 0.167 4.717 4.550 0.000 0.000 0.337 131 Y C 1.630 177.515 175.900 -0.026 0.000 1.304 131 Y CA -0.498 57.641 58.100 0.065 0.000 1.465 131 Y CB 0.467 39.000 38.460 0.121 0.000 1.350 131 Y HN 0.400 nan 8.280 nan 0.000 0.575 132 K N -0.101 120.367 120.400 0.113 0.000 2.032 132 K HA -0.186 4.134 4.320 0.000 0.000 0.209 132 K C 0.237 176.844 176.600 0.011 0.000 1.048 132 K CA 1.685 57.974 56.287 0.003 0.000 0.927 132 K CB -0.128 32.357 32.500 -0.026 0.000 0.712 132 K HN 0.540 nan 8.250 nan 0.000 0.441 133 D N 1.099 121.545 120.400 0.076 0.000 2.455 133 D HA -0.003 4.637 4.640 0.000 0.000 0.234 133 D C 0.723 177.106 176.300 0.137 0.000 1.224 133 D CA 0.065 54.123 54.000 0.098 0.000 0.999 133 D CB 0.345 41.229 40.800 0.140 0.000 1.072 133 D HN -0.020 nan 8.370 nan 0.000 0.514 134 R N 2.313 122.839 120.500 0.044 0.000 2.170 134 R HA -0.166 4.174 4.340 0.000 0.000 0.242 134 R C 1.705 178.168 176.300 0.271 0.000 1.145 134 R CA 0.460 56.591 56.100 0.051 0.000 0.984 134 R CB -0.597 29.573 30.300 -0.217 0.000 0.869 134 R HN 0.591 nan 8.270 nan 0.000 0.455 135 N N 0.960 119.779 118.700 0.198 0.000 2.188 135 N HA -0.118 4.622 4.740 0.000 0.000 0.184 135 N C 1.557 177.188 175.510 0.202 0.000 1.018 135 N CA 1.156 54.323 53.050 0.195 0.000 0.858 135 N CB 0.240 38.807 38.487 0.134 0.000 0.989 135 N HN -0.014 nan 8.380 nan 0.000 0.426 136 V N 0.967 121.015 119.914 0.222 0.000 2.427 136 V HA -0.142 3.978 4.120 0.000 0.000 0.248 136 V C 2.512 178.780 176.094 0.291 0.000 1.051 136 V CA 0.925 63.370 62.300 0.241 0.000 1.048 136 V CB -0.209 31.787 31.823 0.288 0.000 0.666 136 V HN 0.140 nan 8.190 nan 0.000 0.456 137 V N 0.481 120.623 119.914 0.379 0.000 2.358 137 V HA -0.230 3.890 4.120 0.000 0.000 0.246 137 V C 2.737 179.014 176.094 0.305 0.000 1.047 137 V CA 1.935 64.491 62.300 0.428 0.000 1.035 137 V CB -1.194 30.960 31.823 0.551 0.000 0.658 137 V HN 0.544 nan 8.190 nan 0.000 0.452 138 A N -0.576 122.419 122.820 0.292 0.000 1.883 138 A HA -0.316 4.004 4.320 0.000 0.000 0.217 138 A C 2.200 179.832 177.584 0.081 0.000 1.186 138 A CA 2.166 54.293 52.037 0.150 0.000 0.624 138 A CB -0.547 18.550 19.000 0.161 0.000 0.822 138 A HN 0.626 nan 8.150 nan 0.000 0.444 139 Q N -0.490 119.365 119.800 0.091 0.000 2.050 139 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 139 Q C 2.131 178.118 176.000 -0.022 0.000 0.980 139 Q CA 1.542 57.363 55.803 0.030 0.000 0.840 139 Q CB -0.361 28.400 28.738 0.038 0.000 0.898 139 Q HN 0.685 nan 8.270 nan 0.000 0.424 140 L N -0.161 121.069 121.223 0.011 0.000 2.042 140 L HA -0.209 4.131 4.340 0.000 0.000 0.210 140 L C 2.364 179.144 176.870 -0.150 0.000 1.076 140 L CA 0.848 55.651 54.840 -0.062 0.000 0.749 140 L CB -0.521 41.619 42.059 0.134 0.000 0.893 140 L HN 0.122 nan 8.230 nan 0.000 0.432 141 V N -0.335 119.567 119.914 -0.020 0.000 2.261 141 V HA -0.298 3.822 4.120 0.000 0.000 0.246 141 V C 2.654 178.678 176.094 -0.117 0.000 1.047 141 V CA 1.843 64.113 62.300 -0.050 0.000 1.015 141 V CB -0.549 31.272 31.823 -0.003 0.000 0.642 141 V HN 0.362 nan 8.190 nan 0.000 0.446 142 R N -0.069 120.381 120.500 -0.084 0.000 2.091 142 R HA -0.163 4.177 4.340 0.000 0.000 0.238 142 R C 2.454 178.682 176.300 -0.120 0.000 1.136 142 R CA 1.766 57.818 56.100 -0.080 0.000 0.959 142 R CB -0.481 29.789 30.300 -0.051 0.000 0.856 142 R HN 0.412 nan 8.270 nan 0.000 0.437 143 R N -0.773 119.623 120.500 -0.173 0.000 2.092 143 R HA -0.050 4.290 4.340 0.000 0.000 0.231 143 R C 1.932 178.039 176.300 -0.322 0.000 1.119 143 R CA 1.379 57.345 56.100 -0.223 0.000 0.970 143 R CB -0.195 29.954 30.300 -0.252 0.000 0.864 143 R HN 0.301 nan 8.270 nan 0.000 0.440 144 A N 0.767 123.303 122.820 -0.473 0.000 1.897 144 A HA -0.137 4.183 4.320 0.000 0.000 0.215 144 A C 1.844 179.313 177.584 -0.192 0.000 1.181 144 A CA 1.264 52.922 52.037 -0.630 0.000 0.620 144 A CB -0.333 18.132 19.000 -0.891 0.000 0.821 144 A HN 0.412 nan 8.150 nan 0.000 0.443 145 E N -0.343 119.791 120.200 -0.110 0.000 2.085 145 E HA -0.200 4.150 4.350 0.000 0.000 0.194 145 E C 2.329 178.934 176.600 0.009 0.000 0.994 145 E CA 1.092 57.486 56.400 -0.009 0.000 0.801 145 E CB -0.179 29.509 29.700 -0.020 0.000 0.743 145 E HN 0.515 nan 8.360 nan 0.000 0.453 146 R N 0.290 120.773 120.500 -0.029 0.000 2.081 146 R HA -0.068 4.272 4.340 0.000 0.000 0.235 146 R C 2.213 178.524 176.300 0.018 0.000 1.131 146 R CA 1.097 57.188 56.100 -0.014 0.000 0.960 146 R CB -0.270 30.007 30.300 -0.038 0.000 0.856 146 R HN 0.066 nan 8.270 nan 0.000 0.436 147 A N 0.293 123.135 122.820 0.037 0.000 2.239 147 A HA 0.118 4.438 4.320 0.000 0.000 0.209 147 A C 1.344 179.045 177.584 0.193 0.000 1.171 147 A CA 0.938 53.054 52.037 0.131 0.000 0.768 147 A CB -0.329 18.787 19.000 0.192 0.000 0.790 147 A HN 0.516 nan 8.150 nan 0.000 0.478 148 G N -1.997 106.896 108.800 0.156 0.000 2.137 148 G HA2 -0.234 3.726 3.960 0.000 0.000 0.237 148 G HA3 -0.234 3.726 3.960 0.000 0.000 0.237 148 G C -0.143 174.804 174.900 0.078 0.000 1.002 148 G CA -0.028 45.124 45.100 0.086 0.000 0.702 148 G HN 0.275 nan 8.290 nan 0.000 0.515 149 F N 0.511 120.437 119.950 -0.039 0.000 2.495 149 F HA 0.418 4.945 4.527 -0.000 0.000 0.365 149 F C 1.728 177.548 175.800 0.033 0.000 1.090 149 F CA -0.555 57.447 58.000 0.003 0.000 1.235 149 F CB 0.997 40.008 39.000 0.018 0.000 1.119 149 F HN -0.150 nan 8.300 nan 0.000 0.562 150 K N 2.108 122.594 120.400 0.144 0.000 2.296 150 K HA 0.278 4.598 4.320 0.000 0.000 0.200 150 K C 0.381 177.070 176.600 0.149 0.000 1.048 150 K CA 0.545 56.905 56.287 0.121 0.000 0.966 150 K CB -0.065 32.317 32.500 -0.196 0.000 0.754 150 K HN 0.612 nan 8.250 nan 0.000 0.466 151 A N 0.479 123.354 122.820 0.092 0.000 2.610 151 A HA 0.601 4.921 4.320 0.000 0.000 0.291 151 A C -1.441 176.102 177.584 -0.069 0.000 1.086 151 A CA -0.744 51.192 52.037 -0.167 0.000 0.677 151 A CB 1.172 19.739 19.000 -0.722 0.000 1.278 151 A HN -0.028 nan 8.150 nan 0.000 0.414 152 I N 1.065 121.582 120.570 -0.088 0.000 2.378 152 I HA 0.564 4.734 4.170 0.000 0.000 0.291 152 I C 0.442 176.494 176.117 -0.109 0.000 0.992 152 I CA -0.320 60.973 61.300 -0.011 0.000 1.154 152 I CB 1.143 39.161 38.000 0.031 0.000 1.315 152 I HN 0.812 nan 8.210 nan 0.000 0.448 153 A N 7.335 130.079 122.820 -0.127 0.000 2.322 153 A HA 0.517 4.837 4.320 0.000 0.000 0.327 153 A C -0.605 176.852 177.584 -0.211 0.000 1.394 153 A CA -0.498 51.432 52.037 -0.179 0.000 0.921 153 A CB 0.345 19.224 19.000 -0.203 0.000 1.153 153 A HN 0.592 nan 8.150 nan 0.000 0.523 154 L N 3.323 124.449 121.223 -0.161 0.000 2.278 154 L HA 0.444 4.784 4.340 0.000 0.000 0.287 154 L C 0.117 176.865 176.870 -0.203 0.000 1.072 154 L CA 0.627 55.361 54.840 -0.176 0.000 0.819 154 L CB 0.818 42.825 42.059 -0.086 0.000 1.176 154 L HN 0.523 nan 8.230 nan 0.000 0.435 155 T N 5.427 119.788 114.554 -0.322 0.000 2.729 155 T HA 0.299 4.649 4.350 0.000 0.000 0.296 155 T C 0.940 175.601 174.700 -0.065 0.000 0.928 155 T CA -0.051 61.907 62.100 -0.237 0.000 1.045 155 T CB 0.770 69.397 68.868 -0.401 0.000 0.902 155 T HN 0.564 nan 8.240 nan 0.000 0.500 156 V N 0.219 120.106 119.914 -0.045 0.000 3.271 156 V HA 0.274 4.394 4.120 0.000 0.000 0.327 156 V C 0.813 176.882 176.094 -0.042 0.000 1.389 156 V CA -0.283 61.976 62.300 -0.068 0.000 1.156 156 V CB -0.339 31.382 31.823 -0.169 0.000 1.103 156 V HN 0.779 nan 8.190 nan 0.000 0.453 157 D N -0.995 119.422 120.400 0.028 0.000 2.440 157 D HA 0.115 4.755 4.640 0.000 0.000 0.216 157 D C 0.610 176.877 176.300 -0.056 0.000 1.150 157 D CA 0.159 54.160 54.000 0.002 0.000 0.832 157 D CB 0.129 40.956 40.800 0.045 0.000 0.992 157 D HN 0.375 nan 8.370 nan 0.000 0.502 158 T N 1.987 116.514 114.554 -0.046 0.000 3.532 158 T HA 0.226 4.576 4.350 0.000 0.000 0.241 158 T C -1.801 172.778 174.700 -0.203 0.000 1.238 158 T CA -0.879 61.114 62.100 -0.177 0.000 1.405 158 T CB 1.463 70.175 68.868 -0.259 0.000 0.971 158 T HN 0.058 nan 8.240 nan 0.000 0.640 159 P HA -0.012 nan 4.420 nan 0.000 0.221 159 P C 0.266 177.471 177.300 -0.158 0.000 1.150 159 P CA 0.645 63.656 63.100 -0.147 0.000 0.800 159 P CB 0.591 32.220 31.700 -0.118 0.000 0.787 160 R N -1.058 119.345 120.500 -0.160 0.000 2.668 160 R HA 0.472 4.812 4.340 0.000 0.000 0.272 160 R C -0.508 175.688 176.300 -0.173 0.000 1.019 160 R CA -1.044 54.966 56.100 -0.150 0.000 0.894 160 R CB 1.696 31.930 30.300 -0.109 0.000 1.228 160 R HN -0.049 nan 8.270 nan 0.000 0.460 161 L N 1.687 122.806 121.223 -0.173 0.000 2.456 161 L HA 0.194 4.534 4.340 0.000 0.000 0.272 161 L C 1.027 177.813 176.870 -0.139 0.000 1.189 161 L CA 0.210 54.942 54.840 -0.181 0.000 0.846 161 L CB 0.690 42.658 42.059 -0.153 0.000 1.111 161 L HN 0.816 nan 8.230 nan 0.000 0.475 162 G N 3.157 111.866 108.800 -0.152 0.000 2.599 162 G HA2 0.264 4.224 3.960 0.000 0.000 0.264 162 G HA3 0.264 4.224 3.960 0.000 0.000 0.264 162 G C -0.302 174.552 174.900 -0.076 0.000 1.200 162 G CA -0.651 44.385 45.100 -0.107 0.000 0.896 162 G HN 0.648 nan 8.290 nan 0.000 0.536 163 R N 0.678 121.148 120.500 -0.051 0.000 2.296 163 R HA 0.249 4.589 4.340 0.000 0.000 0.327 163 R C -0.610 175.673 176.300 -0.029 0.000 1.137 163 R CA -0.459 55.621 56.100 -0.033 0.000 1.020 163 R CB 0.853 31.142 30.300 -0.019 0.000 1.110 163 R HN 0.265 nan 8.270 nan 0.000 0.499 164 R N 1.982 122.463 120.500 -0.033 0.000 2.287 164 R HA 0.074 4.414 4.340 0.000 0.000 0.327 164 R C 0.557 176.850 176.300 -0.013 0.000 1.109 164 R CA -0.192 55.889 56.100 -0.032 0.000 1.013 164 R CB 0.329 30.597 30.300 -0.054 0.000 1.126 164 R HN 0.593 nan 8.270 nan 0.000 0.503 165 E N 1.868 122.067 120.200 -0.002 0.000 2.130 165 E HA -0.300 4.050 4.350 0.000 0.000 0.196 165 E C 1.716 178.330 176.600 0.023 0.000 0.998 165 E CA 1.639 58.046 56.400 0.012 0.000 0.806 165 E CB -0.045 29.665 29.700 0.017 0.000 0.738 165 E HN 0.679 nan 8.360 nan 0.000 0.459 166 A N 1.890 124.723 122.820 0.021 0.000 1.917 166 A HA -0.261 4.059 4.320 0.000 0.000 0.219 166 A C 1.731 179.346 177.584 0.053 0.000 1.182 166 A CA 1.929 53.989 52.037 0.038 0.000 0.633 166 A CB -0.411 18.610 19.000 0.035 0.000 0.819 166 A HN 0.113 nan 8.150 nan 0.000 0.448 167 D N -0.020 120.402 120.400 0.037 0.000 2.144 167 D HA -0.114 4.526 4.640 0.000 0.000 0.199 167 D C 1.870 178.225 176.300 0.092 0.000 0.984 167 D CA 1.241 55.281 54.000 0.067 0.000 0.834 167 D CB -0.339 40.464 40.800 0.005 0.000 0.955 167 D HN 0.575 nan 8.370 nan 0.000 0.465 168 I N 0.790 121.395 120.570 0.057 0.000 2.202 168 I HA -0.230 3.940 4.170 0.000 0.000 0.242 168 I C 2.285 178.434 176.117 0.053 0.000 1.091 168 I CA 1.063 62.394 61.300 0.051 0.000 1.368 168 I CB -0.173 37.845 38.000 0.031 0.000 1.058 168 I HN -0.097 nan 8.210 nan 0.000 0.410 169 K N 0.634 121.065 120.400 0.051 0.000 2.147 169 K HA -0.125 4.195 4.320 0.000 0.000 0.205 169 K C 1.744 178.379 176.600 0.059 0.000 1.049 169 K CA 1.238 57.554 56.287 0.049 0.000 0.936 169 K CB -0.192 32.336 32.500 0.047 0.000 0.722 169 K HN 0.290 nan 8.250 nan 0.000 0.446 170 N N 0.674 119.422 118.700 0.081 0.000 2.409 170 N HA -0.022 4.718 4.740 0.000 0.000 0.179 170 N C -0.472 175.094 175.510 0.093 0.000 1.032 170 N CA 0.382 53.490 53.050 0.097 0.000 0.898 170 N CB 0.126 38.697 38.487 0.140 0.000 0.971 170 N HN 0.077 nan 8.380 nan 0.000 0.441 171 R N -0.041 120.517 120.500 0.098 0.000 3.144 171 R HA -0.185 4.155 4.340 0.000 0.000 0.255 171 R C -0.806 175.548 176.300 0.090 0.000 0.949 171 R CA 0.015 56.162 56.100 0.077 0.000 0.649 171 R CB -2.534 27.788 30.300 0.035 0.000 1.229 171 R HN 0.177 nan 8.270 nan 0.000 0.440 172 F N 1.537 121.479 119.950 -0.012 0.000 2.608 172 F HA 0.203 4.730 4.527 0.000 0.000 0.380 172 F C 0.784 176.551 175.800 -0.055 0.000 1.083 172 F CA 0.511 58.489 58.000 -0.038 0.000 1.266 172 F CB 0.667 39.639 39.000 -0.048 0.000 1.076 172 F HN 0.080 nan 8.300 nan 0.000 0.574 173 V N 5.212 124.593 119.914 -0.889 0.000 2.971 173 V HA 0.498 4.618 4.120 0.000 0.000 0.309 173 V C -1.195 174.373 176.094 -0.877 0.000 1.130 173 V CA -1.414 60.488 62.300 -0.663 0.000 0.964 173 V CB 1.335 32.967 31.823 -0.319 0.000 1.029 173 V HN 0.870 nan 8.190 nan 0.000 0.427 174 L N 5.906 126.806 121.223 -0.539 0.000 2.410 174 L HA 0.570 4.911 4.340 0.000 0.000 0.273 174 L C -1.909 174.813 176.870 -0.247 0.000 1.144 174 L CA -0.855 53.772 54.840 -0.355 0.000 0.863 174 L CB 0.155 42.127 42.059 -0.144 0.000 1.140 174 L HN 0.705 nan 8.230 nan 0.000 0.463 175 P HA 0.060 nan 4.420 nan 0.000 0.266 175 P C -2.127 175.097 177.300 -0.127 0.000 1.193 175 P CA -0.908 62.120 63.100 -0.119 0.000 0.770 175 P CB -0.207 31.477 31.700 -0.026 0.000 0.836 176 P HA -0.228 nan 4.420 nan 0.000 0.221 176 P C 1.069 178.091 177.300 -0.464 0.000 1.160 176 P CA 1.969 64.811 63.100 -0.429 0.000 0.933 176 P CB -0.318 30.965 31.700 -0.696 0.000 0.793 177 F N -1.254 118.687 119.950 -0.016 0.000 2.797 177 F HA 0.168 4.695 4.527 -0.000 0.000 0.302 177 F C 1.650 177.454 175.800 0.007 0.000 1.130 177 F CA -0.033 57.964 58.000 -0.005 0.000 1.387 177 F CB -0.606 38.392 39.000 -0.003 0.000 1.107 177 F HN -0.190 nan 8.300 nan 0.000 0.577 178 L N -0.070 121.226 121.223 0.122 0.000 2.399 178 L HA 0.477 4.817 4.340 0.000 0.000 0.266 178 L C 0.128 177.037 176.870 0.066 0.000 1.114 178 L CA -0.134 54.771 54.840 0.108 0.000 0.804 178 L CB 1.226 43.348 42.059 0.106 0.000 1.146 178 L HN -0.133 nan 8.230 nan 0.000 0.451 179 T N 1.784 116.385 114.554 0.079 0.000 2.923 179 T HA 0.369 4.719 4.350 0.000 0.000 0.311 179 T C -0.259 174.481 174.700 0.068 0.000 1.183 179 T CA -0.628 61.502 62.100 0.050 0.000 1.020 179 T CB 1.617 70.511 68.868 0.044 0.000 1.165 179 T HN 0.320 nan 8.240 nan 0.000 0.482 180 L N 3.924 125.167 121.223 0.035 0.000 2.382 180 L HA 0.190 4.530 4.340 0.000 0.000 0.259 180 L C 1.675 178.603 176.870 0.096 0.000 1.291 180 L CA -0.567 54.312 54.840 0.065 0.000 1.176 180 L CB -0.211 41.817 42.059 -0.052 0.000 1.373 180 L HN 0.496 nan 8.230 nan 0.000 0.426 181 K N 0.834 121.281 120.400 0.079 0.000 2.173 181 K HA -0.187 4.133 4.320 0.000 0.000 0.207 181 K C 1.323 177.916 176.600 -0.012 0.000 1.046 181 K CA 1.182 57.496 56.287 0.045 0.000 0.929 181 K CB -0.144 32.392 32.500 0.060 0.000 0.720 181 K HN 0.549 nan 8.250 nan 0.000 0.453 182 N N 0.024 118.685 118.700 -0.064 0.000 2.381 182 N HA -0.069 4.671 4.740 0.000 0.000 0.182 182 N C 1.376 176.666 175.510 -0.366 0.000 1.025 182 N CA 0.785 53.697 53.050 -0.231 0.000 0.888 182 N CB -0.111 38.211 38.487 -0.276 0.000 0.965 182 N HN 0.183 nan 8.380 nan 0.000 0.438 183 F N 0.828 120.735 119.950 -0.072 0.000 2.754 183 F HA 0.187 4.714 4.527 -0.000 0.000 0.297 183 F C 1.093 176.828 175.800 -0.108 0.000 1.122 183 F CA -0.215 57.718 58.000 -0.111 0.000 1.400 183 F CB 0.239 39.124 39.000 -0.192 0.000 1.117 183 F HN -0.124 nan 8.300 nan 0.000 0.587 184 E N -0.083 120.143 120.200 0.044 0.000 2.152 184 E HA 0.421 4.771 4.350 0.000 0.000 0.285 184 E C 0.867 177.457 176.600 -0.017 0.000 1.043 184 E CA 0.572 56.976 56.400 0.007 0.000 0.839 184 E CB 0.289 29.994 29.700 0.008 0.000 1.069 184 E HN 0.395 nan 8.360 nan 0.000 0.399 185 G N 4.381 113.169 108.800 -0.020 0.000 2.541 185 G HA2 -0.204 3.756 3.960 0.000 0.000 0.201 185 G HA3 -0.204 3.756 3.960 0.000 0.000 0.201 185 G C 0.250 175.134 174.900 -0.025 0.000 1.026 185 G CA 0.001 45.085 45.100 -0.027 0.000 0.687 185 G HN 0.617 nan 8.290 nan 0.000 0.492 186 I N -0.820 119.737 120.570 -0.022 0.000 2.982 186 I HA 0.766 4.936 4.170 0.000 0.000 0.312 186 I C -0.613 175.505 176.117 0.002 0.000 1.041 186 I CA -1.017 60.276 61.300 -0.011 0.000 1.053 186 I CB 1.668 39.659 38.000 -0.015 0.000 1.248 186 I HN -0.055 nan 8.210 nan 0.000 0.471 187 D N 3.378 123.785 120.400 0.012 0.000 2.342 187 D HA 0.300 4.940 4.640 0.000 0.000 0.260 187 D C -0.382 175.933 176.300 0.025 0.000 1.278 187 D CA 0.254 54.261 54.000 0.012 0.000 0.910 187 D CB 0.195 41.011 40.800 0.026 0.000 1.079 187 D HN 0.481 nan 8.370 nan 0.000 0.496 199 L N 2.615 123.759 121.223 -0.132 0.000 2.127 199 L HA 0.075 4.415 4.340 0.000 0.000 0.211 199 L C 2.806 179.560 176.870 -0.194 0.000 1.089 199 L CA 2.249 56.968 54.840 -0.201 0.000 0.757 199 L CB -1.330 40.602 42.059 -0.211 0.000 0.899 199 L HN 0.357 nan 8.230 nan 0.000 0.434 200 S N -1.063 114.580 115.700 -0.094 0.000 2.453 200 S HA -0.073 4.397 4.470 0.000 0.000 0.231 200 S C 2.092 176.735 174.600 0.070 0.000 1.005 200 S CA 1.078 59.290 58.200 0.019 0.000 0.949 200 S CB 0.051 63.284 63.200 0.055 0.000 0.774 200 S HN 0.438 nan 8.310 nan 0.000 0.510 201 S N 0.176 115.889 115.700 0.022 0.000 2.441 201 S HA 0.092 4.562 4.470 0.000 0.000 0.224 201 S C 1.592 176.224 174.600 0.053 0.000 1.043 201 S CA 0.174 58.401 58.200 0.044 0.000 0.948 201 S CB -0.310 62.903 63.200 0.022 0.000 0.810 201 S HN 0.695 nan 8.310 nan 0.000 0.504 202 Y N 3.769 124.000 120.300 -0.116 0.000 2.163 202 Y HA -0.137 4.414 4.550 0.000 0.000 0.288 202 Y C 2.161 177.952 175.900 -0.182 0.000 1.136 202 Y CA 1.380 59.396 58.100 -0.141 0.000 1.147 202 Y CB -0.869 37.485 38.460 -0.177 0.000 0.987 202 Y HN 0.081 nan 8.280 nan 0.000 0.509 203 V N -0.015 119.805 119.914 -0.157 0.000 2.392 203 V HA -0.201 3.919 4.120 0.000 0.000 0.249 203 V C 2.474 178.620 176.094 0.088 0.000 1.059 203 V CA 1.838 63.862 62.300 -0.460 0.000 1.051 203 V CB -2.075 29.052 31.823 -1.161 0.000 0.658 203 V HN 0.498 nan 8.190 nan 0.000 0.455 204 A N 1.233 124.181 122.820 0.215 0.000 1.929 204 A HA 0.164 4.484 4.320 0.000 0.000 0.216 204 A C 2.284 179.881 177.584 0.021 0.000 1.176 204 A CA 1.519 53.680 52.037 0.206 0.000 0.628 204 A CB -1.186 17.915 19.000 0.169 0.000 0.816 204 A HN 0.693 nan 8.150 nan 0.000 0.444 205 G N -1.866 106.895 108.800 -0.064 0.000 2.813 205 G HA2 0.014 3.974 3.960 0.000 0.000 0.209 205 G HA3 0.014 3.974 3.960 0.000 0.000 0.209 205 G C 1.282 176.073 174.900 -0.181 0.000 1.150 205 G CA 0.243 45.277 45.100 -0.111 0.000 0.785 205 G HN 0.377 nan 8.290 nan 0.000 0.535 206 Q N 0.072 119.721 119.800 -0.253 0.000 2.403 206 Q HA 0.186 4.526 4.340 0.000 0.000 0.203 206 Q C 0.891 176.929 176.000 0.064 0.000 0.932 206 Q CA -0.149 55.517 55.803 -0.229 0.000 0.945 206 Q CB 0.214 28.647 28.738 -0.508 0.000 1.045 206 Q HN 0.505 nan 8.270 nan 0.000 0.511 207 I N 2.121 122.721 120.570 0.049 0.000 2.668 207 I HA -0.113 4.057 4.170 0.000 0.000 0.285 207 I C 0.394 176.480 176.117 -0.053 0.000 1.168 207 I CA 0.123 61.417 61.300 -0.010 0.000 1.424 207 I CB 0.109 38.035 38.000 -0.123 0.000 1.377 207 I HN -0.153 nan 8.210 nan 0.000 0.560 208 D N 6.636 126.996 120.400 -0.066 0.000 2.359 208 D HA 0.161 4.801 4.640 0.000 0.000 0.230 208 D C 0.874 177.112 176.300 -0.103 0.000 1.118 208 D CA -0.651 53.301 54.000 -0.080 0.000 0.844 208 D CB 0.803 41.554 40.800 -0.083 0.000 1.059 208 D HN 0.480 nan 8.370 nan 0.000 0.493 209 R N 1.496 121.939 120.500 -0.096 0.000 2.356 209 R HA 0.124 4.464 4.340 0.000 0.000 0.234 209 R C 0.612 176.855 176.300 -0.094 0.000 0.929 209 R CA -0.063 55.977 56.100 -0.100 0.000 1.084 209 R CB -0.164 30.081 30.300 -0.092 0.000 1.105 209 R HN 0.224 nan 8.270 nan 0.000 0.515 210 S N 0.220 115.864 115.700 -0.094 0.000 2.540 210 S HA 0.206 4.676 4.470 0.000 0.000 0.218 210 S C 0.741 175.279 174.600 -0.104 0.000 0.977 210 S CA -0.628 57.519 58.200 -0.089 0.000 0.918 210 S CB -0.024 63.128 63.200 -0.079 0.000 0.806 210 S HN 0.173 nan 8.310 nan 0.000 0.496 211 L N 3.516 124.665 121.223 -0.124 0.000 2.559 211 L HA 0.195 4.535 4.340 0.000 0.000 0.282 211 L C 0.709 177.470 176.870 -0.181 0.000 1.232 211 L CA 0.091 54.843 54.840 -0.147 0.000 0.885 211 L CB 0.130 42.096 42.059 -0.155 0.000 1.131 211 L HN 0.507 nan 8.230 nan 0.000 0.498 212 S N 0.322 115.910 115.700 -0.187 0.000 2.705 212 S HA 0.324 4.794 4.470 0.000 0.000 0.280 212 S C 0.103 174.553 174.600 -0.250 0.000 1.174 212 S CA -0.984 57.073 58.200 -0.238 0.000 0.823 212 S CB 0.501 63.645 63.200 -0.092 0.000 1.162 212 S HN 0.603 nan 8.310 nan 0.000 0.487 213 W N 1.861 123.068 121.300 -0.156 0.000 2.341 213 W HA -0.059 4.601 4.660 0.000 0.000 0.283 213 W C 2.567 178.972 176.519 -0.189 0.000 1.215 213 W CA 1.215 58.376 57.345 -0.307 0.000 1.211 213 W CB 0.015 29.055 29.460 -0.700 0.000 1.131 213 W HN 0.788 nan 8.180 nan 0.000 0.552 214 K N 0.510 120.976 120.400 0.110 0.000 2.211 214 K HA -0.146 4.174 4.320 0.000 0.000 0.203 214 K C 0.927 177.619 176.600 0.154 0.000 1.050 214 K CA 1.735 58.105 56.287 0.139 0.000 0.945 214 K CB -0.720 31.847 32.500 0.112 0.000 0.732 214 K HN 0.122 nan 8.250 nan 0.000 0.451 215 D N 1.132 121.588 120.400 0.093 0.000 2.269 215 D HA -0.046 4.594 4.640 0.000 0.000 0.208 215 D C 1.959 178.402 176.300 0.238 0.000 0.963 215 D CA 0.564 54.647 54.000 0.137 0.000 0.864 215 D CB 0.270 41.068 40.800 -0.003 0.000 0.936 215 D HN 0.040 nan 8.370 nan 0.000 0.505 216 V N 1.469 121.478 119.914 0.159 0.000 2.379 216 V HA -0.189 3.931 4.120 0.000 0.000 0.245 216 V C 2.587 178.804 176.094 0.206 0.000 1.044 216 V CA 1.648 64.053 62.300 0.175 0.000 1.036 216 V CB -0.594 31.356 31.823 0.211 0.000 0.664 216 V HN 0.149 nan 8.190 nan 0.000 0.453 217 A N -0.674 122.284 122.820 0.229 0.000 1.902 217 A HA -0.290 4.030 4.320 0.000 0.000 0.217 217 A C 1.962 179.655 177.584 0.181 0.000 1.181 217 A CA 1.977 54.134 52.037 0.200 0.000 0.623 217 A CB -0.977 18.152 19.000 0.214 0.000 0.818 217 A HN 0.747 nan 8.150 nan 0.000 0.443 218 W N 0.526 121.862 121.300 0.060 0.000 2.318 218 W HA -0.200 4.459 4.660 -0.000 0.000 0.313 218 W C 1.768 178.313 176.519 0.045 0.000 1.221 218 W CA 1.897 59.271 57.345 0.047 0.000 1.266 218 W CB -0.366 29.116 29.460 0.038 0.000 1.150 218 W HN 0.254 nan 8.180 nan 0.000 0.496 219 L N 0.512 121.743 121.223 0.012 0.000 2.079 219 L HA -0.281 4.059 4.340 0.000 0.000 0.210 219 L C 2.516 179.229 176.870 -0.262 0.000 1.081 219 L CA 1.852 56.533 54.840 -0.266 0.000 0.752 219 L CB -0.688 41.394 42.059 0.038 0.000 0.896 219 L HN 0.164 nan 8.230 nan 0.000 0.433 220 Q N -1.246 118.491 119.800 -0.106 0.000 2.364 220 Q HA -0.155 4.185 4.340 0.000 0.000 0.207 220 Q C 1.717 177.647 176.000 -0.118 0.000 0.970 220 Q CA 1.746 57.505 55.803 -0.073 0.000 0.888 220 Q CB -0.042 28.700 28.738 0.006 0.000 0.951 220 Q HN 0.606 nan 8.270 nan 0.000 0.469 221 T N -2.354 112.081 114.554 -0.198 0.000 3.107 221 T HA 0.117 4.467 4.350 0.000 0.000 0.249 221 T C 1.473 176.024 174.700 -0.248 0.000 1.096 221 T CA -0.028 61.963 62.100 -0.181 0.000 1.012 221 T CB -0.130 68.661 68.868 -0.128 0.000 0.977 221 T HN 0.430 nan 8.240 nan 0.000 0.527 222 I N -2.257 118.094 120.570 -0.366 0.000 4.154 222 I HA 0.510 4.680 4.170 0.000 0.000 0.334 222 I C 0.052 176.045 176.117 -0.206 0.000 1.371 222 I CA -0.547 60.558 61.300 -0.325 0.000 1.110 222 I CB 0.991 38.682 38.000 -0.516 0.000 1.085 222 I HN 0.058 nan 8.210 nan 0.000 0.398 223 T N -0.838 113.617 114.554 -0.166 0.000 2.885 223 T HA 0.372 4.722 4.350 0.000 0.000 0.322 223 T C 0.063 174.725 174.700 -0.062 0.000 1.387 223 T CA -0.271 61.772 62.100 -0.095 0.000 1.041 223 T CB 1.940 70.760 68.868 -0.080 0.000 1.287 223 T HN 0.064 nan 8.240 nan 0.000 0.491 224 S N 2.232 117.913 115.700 -0.032 0.000 2.539 224 S HA 0.352 4.822 4.470 0.000 0.000 0.221 224 S C 0.666 175.268 174.600 0.004 0.000 0.987 224 S CA -0.364 57.827 58.200 -0.014 0.000 0.929 224 S CB -0.156 63.041 63.200 -0.006 0.000 0.832 224 S HN 0.547 nan 8.310 nan 0.000 0.492 225 L N 2.730 123.957 121.223 0.006 0.000 2.461 225 L HA 0.241 4.581 4.340 0.000 0.000 0.272 225 L C -2.422 174.451 176.870 0.004 0.000 1.197 225 L CA -1.896 52.958 54.840 0.022 0.000 0.836 225 L CB -0.197 41.879 42.059 0.029 0.000 1.105 225 L HN -0.091 nan 8.230 nan 0.000 0.477 226 P HA 0.070 nan 4.420 nan 0.000 0.268 226 P C -0.846 176.427 177.300 -0.045 0.000 1.204 226 P CA 0.063 63.156 63.100 -0.011 0.000 0.768 226 P CB 0.383 32.080 31.700 -0.006 0.000 0.842 227 I N 4.337 124.897 120.570 -0.017 0.000 2.321 227 I HA 0.283 4.453 4.170 0.000 0.000 0.291 227 I C 0.150 176.261 176.117 -0.010 0.000 0.998 227 I CA -0.459 60.830 61.300 -0.019 0.000 1.227 227 I CB 0.568 38.580 38.000 0.019 0.000 1.368 227 I HN 0.203 nan 8.210 nan 0.000 0.466 228 L N 6.626 127.818 121.223 -0.052 0.000 2.287 228 L HA 0.441 4.781 4.340 0.000 0.000 0.287 228 L C 0.042 176.901 176.870 -0.018 0.000 1.022 228 L CA -1.063 53.764 54.840 -0.021 0.000 0.814 228 L CB 1.794 43.802 42.059 -0.085 0.000 1.217 228 L HN 0.397 nan 8.230 nan 0.000 0.420 229 V N 1.121 121.060 119.914 0.042 0.000 2.408 229 V HA 0.358 4.478 4.120 0.000 0.000 0.267 229 V C -0.065 176.035 176.094 0.010 0.000 1.047 229 V CA -0.597 61.723 62.300 0.033 0.000 0.937 229 V CB 0.885 32.776 31.823 0.114 0.000 0.999 229 V HN 0.778 nan 8.190 nan 0.000 0.472 230 K N 4.162 124.531 120.400 -0.052 0.000 2.265 230 K HA 0.662 4.982 4.320 0.000 0.000 0.267 230 K C 0.605 177.187 176.600 -0.030 0.000 0.994 230 K CA 0.184 56.430 56.287 -0.068 0.000 0.860 230 K CB 1.023 33.423 32.500 -0.166 0.000 1.099 230 K HN 1.426 nan 8.250 nan 0.000 0.448 231 G N 2.209 111.013 108.800 0.008 0.000 2.157 231 G HA2 -0.130 3.830 3.960 0.000 0.000 0.118 231 G HA3 -0.130 3.830 3.960 0.000 0.000 0.118 231 G C -0.697 174.228 174.900 0.042 0.000 1.032 231 G CA -0.371 44.748 45.100 0.032 0.000 0.697 231 G HN 0.453 nan 8.290 nan 0.000 0.495 232 V N 1.729 121.679 119.914 0.060 0.000 2.407 232 V HA 0.638 4.758 4.120 0.000 0.000 0.278 232 V C 1.230 177.364 176.094 0.067 0.000 1.037 232 V CA 0.174 62.523 62.300 0.081 0.000 0.900 232 V CB 1.318 33.211 31.823 0.117 0.000 0.983 232 V HN 0.688 nan 8.190 nan 0.000 0.459 233 I N 1.657 122.262 120.570 0.058 0.000 4.310 233 I HA 0.376 4.546 4.170 0.000 0.000 0.328 233 I C 0.425 176.559 176.117 0.030 0.000 1.406 233 I CA -0.117 61.207 61.300 0.040 0.000 1.174 233 I CB 0.956 38.974 38.000 0.031 0.000 1.279 233 I HN 0.596 nan 8.210 nan 0.000 0.471 234 T N -2.302 112.278 114.554 0.043 0.000 2.907 234 T HA 0.745 5.095 4.350 0.000 0.000 0.292 234 T C 0.914 175.637 174.700 0.039 0.000 1.043 234 T CA -0.119 62.001 62.100 0.033 0.000 1.003 234 T CB 2.425 71.317 68.868 0.039 0.000 1.084 234 T HN 0.070 nan 8.240 nan 0.000 0.483 235 A N 0.902 123.736 122.820 0.022 0.000 2.015 235 A HA 0.028 4.348 4.320 0.000 0.000 0.219 235 A C 1.921 179.519 177.584 0.022 0.000 1.163 235 A CA 1.349 53.397 52.037 0.019 0.000 0.646 235 A CB -0.863 18.142 19.000 0.007 0.000 0.806 235 A HN 0.909 nan 8.150 nan 0.000 0.448 236 E N 0.603 120.821 120.200 0.030 0.000 2.047 236 E HA -0.132 4.218 4.350 0.000 0.000 0.191 236 E C 1.405 178.035 176.600 0.050 0.000 0.987 236 E CA 1.414 57.833 56.400 0.031 0.000 0.799 236 E CB -0.176 29.548 29.700 0.041 0.000 0.752 236 E HN 0.537 nan 8.360 nan 0.000 0.449 237 D N 0.103 120.567 120.400 0.108 0.000 2.183 237 D HA -0.033 4.607 4.640 0.000 0.000 0.203 237 D C 1.858 178.247 176.300 0.149 0.000 0.969 237 D CA 1.157 55.284 54.000 0.211 0.000 0.842 237 D CB -0.170 40.798 40.800 0.280 0.000 0.957 237 D HN 0.176 nan 8.370 nan 0.000 0.484 238 A N 1.458 124.335 122.820 0.095 0.000 1.908 238 A HA -0.217 4.103 4.320 0.000 0.000 0.218 238 A C 2.183 179.774 177.584 0.011 0.000 1.181 238 A CA 1.244 53.321 52.037 0.067 0.000 0.627 238 A CB -0.431 18.598 19.000 0.047 0.000 0.818 238 A HN 0.139 nan 8.150 nan 0.000 0.445 239 R N -0.704 119.782 120.500 -0.024 0.000 2.075 239 R HA 0.005 4.345 4.340 0.000 0.000 0.232 239 R C 2.075 178.286 176.300 -0.149 0.000 1.126 239 R CA 1.344 57.403 56.100 -0.069 0.000 0.963 239 R CB -0.515 29.747 30.300 -0.063 0.000 0.858 239 R HN 0.499 nan 8.270 nan 0.000 0.435 240 L N 0.320 121.401 121.223 -0.238 0.000 2.046 240 L HA -0.153 4.187 4.340 0.000 0.000 0.208 240 L C 2.713 179.240 176.870 -0.573 0.000 1.077 240 L CA 1.211 55.730 54.840 -0.534 0.000 0.747 240 L CB -0.592 40.896 42.059 -0.952 0.000 0.896 240 L HN 0.244 nan 8.230 nan 0.000 0.432 241 A N -0.344 122.284 122.820 -0.319 0.000 1.908 241 A HA -0.160 4.160 4.320 0.000 0.000 0.218 241 A C 2.332 179.928 177.584 0.021 0.000 1.181 241 A CA 1.889 53.945 52.037 0.031 0.000 0.627 241 A CB -0.803 18.335 19.000 0.230 0.000 0.818 241 A HN 0.204 nan 8.150 nan 0.000 0.445 242 V N -0.144 119.749 119.914 -0.035 0.000 2.270 242 V HA -0.317 3.803 4.120 0.000 0.000 0.245 242 V C 2.625 178.669 176.094 -0.083 0.000 1.043 242 V CA 2.220 64.498 62.300 -0.035 0.000 1.014 242 V CB -0.983 30.814 31.823 -0.043 0.000 0.645 242 V HN 0.638 nan 8.190 nan 0.000 0.447 243 Q N -0.702 118.996 119.800 -0.171 0.000 2.135 243 Q HA -0.190 4.150 4.340 0.000 0.000 0.204 243 Q C 1.469 177.253 176.000 -0.361 0.000 0.981 243 Q CA 1.288 56.918 55.803 -0.287 0.000 0.856 243 Q CB -0.176 28.309 28.738 -0.422 0.000 0.902 243 Q HN 0.723 nan 8.270 nan 0.000 0.425 244 H N -0.796 118.194 119.070 -0.133 0.000 2.660 244 H HA 0.164 4.720 4.556 -0.000 0.000 0.310 244 H C 0.768 176.122 175.328 0.043 0.000 1.080 244 H CA 0.556 56.590 56.048 -0.024 0.000 1.145 244 H CB 0.018 29.802 29.762 0.037 0.000 1.432 244 H HN 0.438 nan 8.280 nan 0.000 0.542 245 G N 1.176 110.012 108.800 0.059 0.000 2.258 245 G HA2 -0.296 3.664 3.960 0.000 0.000 0.274 245 G HA3 -0.296 3.664 3.960 0.000 0.000 0.274 245 G C 0.560 175.510 174.900 0.083 0.000 1.021 245 G CA 0.289 45.425 45.100 0.060 0.000 0.798 245 G HN 0.689 nan 8.290 nan 0.000 0.507 246 A N -0.521 122.362 122.820 0.105 0.000 2.440 246 A HA 0.764 5.084 4.320 0.000 0.000 0.251 246 A C 1.560 179.191 177.584 0.078 0.000 1.089 246 A CA 1.001 53.105 52.037 0.111 0.000 0.779 246 A CB 0.658 19.746 19.000 0.146 0.000 1.022 246 A HN 1.745 nan 8.150 nan 0.000 0.492 247 A N 1.991 124.853 122.820 0.072 0.000 2.123 247 A HA 0.498 4.818 4.320 0.000 0.000 0.214 247 A C 1.119 178.768 177.584 0.107 0.000 1.152 247 A CA 1.257 53.335 52.037 0.068 0.000 0.728 247 A CB -0.298 18.730 19.000 0.046 0.000 0.814 247 A HN 2.163 nan 8.150 nan 0.000 0.464 248 G N -1.530 107.349 108.800 0.132 0.000 2.519 248 G HA2 0.482 4.442 3.960 0.000 0.000 0.292 248 G HA3 0.482 4.442 3.960 0.000 0.000 0.292 248 G C -1.396 173.621 174.900 0.196 0.000 1.507 248 G CA -0.701 44.517 45.100 0.196 0.000 0.806 248 G HN 0.131 nan 8.290 nan 0.000 0.523 249 I N 0.638 121.329 120.570 0.201 0.000 2.474 249 I HA 0.476 4.646 4.170 0.000 0.000 0.294 249 I C -0.371 175.897 176.117 0.252 0.000 1.005 249 I CA -0.894 60.514 61.300 0.180 0.000 1.113 249 I CB 2.188 40.262 38.000 0.123 0.000 1.289 249 I HN 0.232 nan 8.210 nan 0.000 0.436 250 I N 6.432 127.118 120.570 0.193 0.000 2.371 250 I HA 0.215 4.385 4.170 0.000 0.000 0.282 250 I C -0.224 175.967 176.117 0.124 0.000 1.031 250 I CA -0.772 60.647 61.300 0.199 0.000 1.180 250 I CB 1.468 39.500 38.000 0.053 0.000 1.336 250 I HN 0.202 nan 8.210 nan 0.000 0.467 251 V N 5.379 125.377 119.914 0.140 0.000 2.434 251 V HA 0.089 4.209 4.120 0.000 0.000 0.281 251 V C 0.495 176.640 176.094 0.085 0.000 1.005 251 V CA 0.683 63.041 62.300 0.097 0.000 1.089 251 V CB 0.563 32.439 31.823 0.088 0.000 0.978 251 V HN 0.820 nan 8.190 nan 0.000 0.474 252 S N 3.798 119.533 115.700 0.057 0.000 2.537 252 S HA 0.516 4.986 4.470 0.000 0.000 0.270 252 S C -0.178 174.452 174.600 0.049 0.000 1.142 252 S CA -0.630 57.594 58.200 0.041 0.000 0.870 252 S CB 1.574 64.773 63.200 -0.000 0.000 1.112 252 S HN 0.881 nan 8.310 nan 0.000 0.466 253 N N 1.592 120.325 118.700 0.055 0.000 2.351 253 N HA 0.213 4.953 4.740 0.000 0.000 0.254 253 N C -0.090 175.495 175.510 0.125 0.000 1.241 253 N CA -0.122 52.972 53.050 0.073 0.000 0.883 253 N CB -0.512 38.009 38.487 0.056 0.000 1.202 253 N HN 0.871 nan 8.380 nan 0.000 0.512 254 H N 0.232 119.291 119.070 -0.018 0.000 2.820 254 H HA -0.133 4.423 4.556 -0.000 0.000 0.295 254 H C 1.123 176.426 175.328 -0.042 0.000 1.187 254 H CA 0.948 56.975 56.048 -0.034 0.000 1.144 254 H CB -1.316 28.426 29.762 -0.034 0.000 1.354 254 H HN 0.705 nan 8.280 nan 0.000 0.395 255 G N -0.786 108.027 108.800 0.022 0.000 2.198 255 G HA2 0.015 3.975 3.960 0.000 0.000 0.260 255 G HA3 0.015 3.975 3.960 0.000 0.000 0.260 255 G C 0.896 175.809 174.900 0.022 0.000 1.025 255 G CA 1.076 46.177 45.100 0.002 0.000 0.769 255 G HN 1.949 nan 8.290 nan 0.000 0.507 256 A N -1.652 121.193 122.820 0.042 0.000 2.872 256 A HA -0.242 4.078 4.320 0.000 0.000 0.273 256 A C 1.740 179.330 177.584 0.010 0.000 1.442 256 A CA 2.219 54.270 52.037 0.025 0.000 0.801 256 A CB -1.416 17.585 19.000 0.001 0.000 1.031 256 A HN 1.356 nan 8.150 nan 0.000 0.582 257 R N -1.280 119.239 120.500 0.031 0.000 2.362 257 R HA 0.138 4.478 4.340 0.000 0.000 0.227 257 R C 1.323 177.579 176.300 -0.074 0.000 0.905 257 R CA 0.310 56.402 56.100 -0.013 0.000 1.067 257 R CB 0.134 30.447 30.300 0.021 0.000 1.078 257 R HN 0.669 nan 8.270 nan 0.000 0.516 258 Q N 0.600 120.355 119.800 -0.074 0.000 2.263 258 Q HA 0.183 4.523 4.340 0.000 0.000 0.218 258 Q C 0.261 176.224 176.000 -0.061 0.000 0.992 258 Q CA 0.067 55.800 55.803 -0.117 0.000 0.844 258 Q CB -0.243 28.401 28.738 -0.156 0.000 1.126 258 Q HN 0.064 nan 8.270 nan 0.000 0.547 259 L N 2.814 124.018 121.223 -0.032 0.000 2.255 259 L HA 0.291 4.631 4.340 0.000 0.000 0.289 259 L C -0.592 176.291 176.870 0.020 0.000 1.046 259 L CA -0.232 54.606 54.840 -0.003 0.000 0.816 259 L CB 0.721 42.782 42.059 0.003 0.000 1.197 259 L HN 0.077 nan 8.230 nan 0.000 0.427 260 D N 3.548 123.957 120.400 0.016 0.000 2.362 260 D HA 0.128 4.768 4.640 0.000 0.000 0.242 260 D C -0.198 176.127 176.300 0.043 0.000 1.132 260 D CA 0.821 54.798 54.000 -0.037 0.000 0.907 260 D CB 0.379 41.095 40.800 -0.140 0.000 1.195 260 D HN 0.542 nan 8.370 nan 0.000 0.429 261 Y N -1.626 118.730 120.300 0.093 0.000 4.838 261 Y HA -0.251 4.299 4.550 0.000 0.000 0.247 261 Y C 0.104 176.000 175.900 -0.006 0.000 1.009 261 Y CA 0.560 58.619 58.100 -0.067 0.000 2.046 261 Y CB -2.200 36.120 38.460 -0.235 0.000 1.549 261 Y HN 0.231 nan 8.280 nan 0.000 0.651 262 V N -0.662 119.353 119.914 0.169 0.000 2.644 262 V HA 0.697 4.817 4.120 0.000 0.000 0.295 262 V C -1.436 174.769 176.094 0.184 0.000 1.053 262 V CA -2.107 60.267 62.300 0.124 0.000 0.987 262 V CB 1.322 33.193 31.823 0.080 0.000 1.006 262 V HN -0.019 nan 8.190 nan 0.000 0.472 263 P HA 0.204 nan 4.420 nan 0.000 0.271 263 P C -0.134 177.206 177.300 0.067 0.000 1.233 263 P CA 0.006 63.186 63.100 0.134 0.000 0.789 263 P CB 0.581 32.301 31.700 0.033 0.000 0.951 264 A N 1.240 124.066 122.820 0.010 0.000 2.477 264 A HA 0.217 4.537 4.320 0.000 0.000 0.246 264 A C 1.759 179.293 177.584 -0.083 0.000 1.078 264 A CA 0.344 52.342 52.037 -0.066 0.000 0.770 264 A CB -0.766 18.148 19.000 -0.144 0.000 1.011 264 A HN 0.670 nan 8.150 nan 0.000 0.494 265 T N 1.353 115.872 114.554 -0.059 0.000 2.737 265 T HA -0.238 4.112 4.350 0.000 0.000 0.269 265 T C 1.594 176.249 174.700 -0.075 0.000 1.040 265 T CA 1.701 63.781 62.100 -0.033 0.000 1.142 265 T CB -0.442 68.441 68.868 0.026 0.000 0.861 265 T HN 0.536 nan 8.240 nan 0.000 0.456 266 I N 0.622 121.078 120.570 -0.191 0.000 2.361 266 I HA -0.030 4.140 4.170 0.000 0.000 0.251 266 I C 2.046 178.089 176.117 -0.124 0.000 1.133 266 I CA 1.097 62.264 61.300 -0.223 0.000 1.413 266 I CB -0.469 37.122 38.000 -0.682 0.000 1.073 266 I HN 0.172 nan 8.210 nan 0.000 0.424 267 M N -0.284 119.189 119.600 -0.211 0.000 2.236 267 M HA 0.069 4.549 4.480 0.000 0.000 0.266 267 M C 2.335 178.434 176.300 -0.335 0.000 1.070 267 M CA 1.481 56.540 55.300 -0.401 0.000 1.137 267 M CB -1.502 30.878 32.600 -0.366 0.000 1.378 267 M HN 0.354 nan 8.290 nan 0.000 0.426 268 A N 0.252 122.968 122.820 -0.173 0.000 2.016 268 A HA -0.040 4.280 4.320 0.000 0.000 0.217 268 A C 2.127 179.675 177.584 -0.060 0.000 1.162 268 A CA 0.573 52.544 52.037 -0.111 0.000 0.662 268 A CB -0.713 18.255 19.000 -0.054 0.000 0.812 268 A HN 0.377 nan 8.150 nan 0.000 0.450 269 L N 0.635 121.841 121.223 -0.029 0.000 2.011 269 L HA -0.296 4.044 4.340 0.000 0.000 0.225 269 L C 2.170 179.058 176.870 0.030 0.000 1.084 269 L CA 2.953 57.806 54.840 0.021 0.000 0.791 269 L CB -0.875 41.216 42.059 0.054 0.000 0.898 269 L HN 0.607 nan 8.230 nan 0.000 0.440 270 E N -0.966 119.262 120.200 0.046 0.000 2.118 270 E HA -0.304 4.046 4.350 0.000 0.000 0.195 270 E C 2.165 178.785 176.600 0.033 0.000 0.992 270 E CA 1.460 57.901 56.400 0.070 0.000 0.804 270 E CB -0.227 29.561 29.700 0.147 0.000 0.741 270 E HN 0.721 nan 8.360 nan 0.000 0.458 271 E N -0.306 119.893 120.200 -0.002 0.000 2.077 271 E HA -0.167 4.183 4.350 0.000 0.000 0.193 271 E C 2.012 178.616 176.600 0.006 0.000 0.989 271 E CA 1.295 57.691 56.400 -0.007 0.000 0.800 271 E CB 0.204 29.884 29.700 -0.033 0.000 0.746 271 E HN 0.181 nan 8.360 nan 0.000 0.452 272 V N 0.460 120.381 119.914 0.011 0.000 2.453 272 V HA -0.195 3.925 4.120 0.000 0.000 0.247 272 V C 2.413 178.517 176.094 0.018 0.000 1.048 272 V CA 1.128 63.441 62.300 0.021 0.000 1.049 272 V CB -0.094 31.748 31.823 0.032 0.000 0.672 272 V HN 0.180 nan 8.190 nan 0.000 0.457 273 V N -0.033 119.892 119.914 0.017 0.000 2.287 273 V HA -0.281 3.839 4.120 0.000 0.000 0.248 273 V C 2.469 178.568 176.094 0.008 0.000 1.053 273 V CA 2.013 64.319 62.300 0.009 0.000 1.027 273 V CB -0.721 31.112 31.823 0.017 0.000 0.646 273 V HN 0.523 nan 8.190 nan 0.000 0.447 274 K N 0.101 120.510 120.400 0.016 0.000 2.097 274 K HA -0.094 4.226 4.320 0.000 0.000 0.205 274 K C 2.289 178.892 176.600 0.006 0.000 1.050 274 K CA 1.385 57.680 56.287 0.014 0.000 0.938 274 K CB -0.368 32.145 32.500 0.020 0.000 0.718 274 K HN 0.485 nan 8.250 nan 0.000 0.442 275 A N 1.544 124.367 122.820 0.006 0.000 1.930 275 A HA -0.069 4.251 4.320 0.000 0.000 0.217 275 A C 2.342 179.923 177.584 -0.004 0.000 1.175 275 A CA 1.672 53.709 52.037 0.001 0.000 0.627 275 A CB -0.492 18.512 19.000 0.005 0.000 0.815 275 A HN 0.314 nan 8.150 nan 0.000 0.443 276 A N -1.515 121.304 122.820 -0.001 0.000 2.067 276 A HA -0.040 4.280 4.320 0.000 0.000 0.219 276 A C 1.182 178.759 177.584 -0.011 0.000 1.158 276 A CA 1.260 53.294 52.037 -0.006 0.000 0.661 276 A CB -0.502 18.494 19.000 -0.006 0.000 0.801 276 A HN 0.637 nan 8.150 nan 0.000 0.452 277 Q N -2.799 116.995 119.800 -0.009 0.000 2.461 277 Q HA -0.253 4.087 4.340 0.000 0.000 0.273 277 Q C 0.835 176.827 176.000 -0.012 0.000 1.163 277 Q CA 0.528 56.325 55.803 -0.010 0.000 0.929 277 Q CB -2.471 26.259 28.738 -0.012 0.000 1.334 277 Q HN 1.698 nan 8.270 nan 0.000 0.499 278 G N -0.411 108.380 108.800 -0.016 0.000 2.166 278 G HA2 -0.400 3.560 3.960 0.000 0.000 0.260 278 G HA3 -0.400 3.560 3.960 0.000 0.000 0.260 278 G C 0.743 175.632 174.900 -0.019 0.000 0.986 278 G CA 0.835 45.923 45.100 -0.020 0.000 0.683 278 G HN 0.501 nan 8.290 nan 0.000 0.527 279 R N -0.260 120.230 120.500 -0.016 0.000 2.115 279 R HA 0.288 4.628 4.340 0.000 0.000 0.226 279 R C 1.531 177.826 176.300 -0.008 0.000 1.100 279 R CA 1.566 57.658 56.100 -0.013 0.000 0.980 279 R CB -0.045 30.247 30.300 -0.015 0.000 0.875 279 R HN 0.791 nan 8.270 nan 0.000 0.445 280 I N -2.636 117.928 120.570 -0.010 0.000 3.006 280 I HA 0.469 4.639 4.170 0.000 0.000 0.306 280 I C -2.796 173.299 176.117 -0.037 0.000 1.250 280 I CA -3.040 58.259 61.300 -0.001 0.000 0.996 280 I CB 2.410 40.426 38.000 0.027 0.000 1.261 280 I HN -0.249 nan 8.210 nan 0.000 0.442 281 P HA 0.185 nan 4.420 nan 0.000 0.271 281 P C -0.785 176.328 177.300 -0.311 0.000 1.216 281 P CA -0.090 62.861 63.100 -0.248 0.000 0.776 281 P CB 1.581 33.103 31.700 -0.296 0.000 0.881 282 V N 4.028 123.700 119.914 -0.402 0.000 2.448 282 V HA 0.385 4.505 4.120 0.000 0.000 0.295 282 V C 0.068 175.948 176.094 -0.356 0.000 1.025 282 V CA -0.296 61.870 62.300 -0.224 0.000 0.859 282 V CB 0.693 32.468 31.823 -0.080 0.000 0.988 282 V HN 0.397 nan 8.190 nan 0.000 0.431 283 F N 4.178 124.212 119.950 0.139 0.000 2.585 283 F HA 0.832 5.359 4.527 0.000 0.000 0.350 283 F C -0.033 175.870 175.800 0.172 0.000 1.074 283 F CA -0.962 57.150 58.000 0.187 0.000 1.032 283 F CB 1.593 40.808 39.000 0.359 0.000 1.330 283 F HN 0.360 nan 8.300 nan 0.000 0.495 284 L N 0.771 122.251 121.223 0.428 0.000 2.518 284 L HA 0.595 4.935 4.340 0.000 0.000 0.257 284 L C -2.193 174.858 176.870 0.303 0.000 0.980 284 L CA -0.517 54.493 54.840 0.285 0.000 0.837 284 L CB 2.335 44.520 42.059 0.210 0.000 1.410 284 L HN 0.828 nan 8.230 nan 0.000 0.410 285 D N 1.576 122.105 120.400 0.214 0.000 2.596 285 D HA 0.732 5.372 4.640 0.000 0.000 0.262 285 D C -0.462 175.919 176.300 0.135 0.000 1.210 285 D CA 0.138 54.248 54.000 0.184 0.000 0.873 285 D CB 1.835 42.725 40.800 0.150 0.000 1.408 285 D HN 1.011 nan 8.370 nan 0.000 0.441 286 G N -1.378 107.493 108.800 0.117 0.000 3.383 286 G HA2 0.454 4.414 3.960 0.000 0.000 0.685 286 G HA3 0.454 4.414 3.960 0.000 0.000 0.685 286 G C 0.788 175.800 174.900 0.186 0.000 1.104 286 G CA 0.503 45.665 45.100 0.105 0.000 0.957 286 G HN 1.885 nan 8.290 nan 0.000 0.461 287 G N -0.612 108.287 108.800 0.165 0.000 2.225 287 G HA2 -0.048 3.912 3.960 0.000 0.000 0.254 287 G HA3 -0.048 3.912 3.960 0.000 0.000 0.254 287 G C 0.799 175.817 174.900 0.197 0.000 0.988 287 G CA 0.558 45.801 45.100 0.239 0.000 0.625 287 G HN 2.028 nan 8.290 nan 0.000 0.527 288 V N 1.760 121.751 119.914 0.130 0.000 2.485 288 V HA 0.403 4.523 4.120 0.000 0.000 0.287 288 V C 1.328 177.386 176.094 -0.059 0.000 1.022 288 V CA 0.747 63.009 62.300 -0.064 0.000 1.067 288 V CB 1.079 32.896 31.823 -0.010 0.000 0.967 288 V HN 0.414 nan 8.190 nan 0.000 0.479 289 R N 3.365 123.793 120.500 -0.119 0.000 2.591 289 R HA 0.306 4.646 4.340 0.000 0.000 0.288 289 R C 0.292 176.565 176.300 -0.045 0.000 0.947 289 R CA -0.179 55.897 56.100 -0.040 0.000 1.085 289 R CB 0.830 31.130 30.300 0.000 0.000 1.618 289 R HN 0.495 nan 8.270 nan 0.000 0.524 290 R N -0.849 119.591 120.500 -0.100 0.000 2.808 290 R HA 0.410 4.750 4.340 0.000 0.000 0.272 290 R C 0.811 177.105 176.300 -0.010 0.000 0.995 290 R CA -0.219 55.856 56.100 -0.042 0.000 0.917 290 R CB 1.564 31.841 30.300 -0.038 0.000 1.217 290 R HN 0.061 nan 8.270 nan 0.000 0.471 291 G N -0.031 108.815 108.800 0.075 0.000 2.432 291 G HA2 -0.267 3.693 3.960 0.000 0.000 0.219 291 G HA3 -0.267 3.693 3.960 0.000 0.000 0.219 291 G C 1.255 176.321 174.900 0.277 0.000 1.135 291 G CA 1.563 46.783 45.100 0.201 0.000 0.767 291 G HN 0.693 nan 8.290 nan 0.000 0.550 292 T N -0.822 113.855 114.554 0.204 0.000 2.833 292 T HA -0.106 4.244 4.350 0.000 0.000 0.269 292 T C 1.777 176.639 174.700 0.270 0.000 1.054 292 T CA 1.602 63.912 62.100 0.351 0.000 1.135 292 T CB -0.226 68.857 68.868 0.358 0.000 0.869 292 T HN 0.148 nan 8.240 nan 0.000 0.466 293 D N 1.327 121.704 120.400 -0.039 0.000 2.117 293 D HA -0.041 4.599 4.640 0.000 0.000 0.197 293 D C 2.383 178.645 176.300 -0.064 0.000 0.987 293 D CA 0.885 54.634 54.000 -0.418 0.000 0.829 293 D CB -0.540 39.698 40.800 -0.935 0.000 0.961 293 D HN 0.344 nan 8.370 nan 0.000 0.460 294 V N 0.922 120.839 119.914 0.006 0.000 2.295 294 V HA -0.238 3.882 4.120 0.000 0.000 0.246 294 V C 2.215 178.409 176.094 0.168 0.000 1.049 294 V CA 1.314 63.598 62.300 -0.027 0.000 1.024 294 V CB -0.666 30.971 31.823 -0.309 0.000 0.648 294 V HN 0.067 nan 8.190 nan 0.000 0.447 295 F N 1.178 121.325 119.950 0.329 0.000 2.126 295 F HA -0.184 4.343 4.527 0.000 0.000 0.299 295 F C 2.363 178.360 175.800 0.329 0.000 1.096 295 F CA 1.854 60.116 58.000 0.438 0.000 1.255 295 F CB -0.211 39.030 39.000 0.403 0.000 0.997 295 F HN 0.034 nan 8.300 nan 0.000 0.479 296 K N 0.022 120.763 120.400 0.568 0.000 2.057 296 K HA -0.097 4.223 4.320 0.000 0.000 0.206 296 K C 2.324 179.096 176.600 0.288 0.000 1.050 296 K CA 1.183 57.727 56.287 0.428 0.000 0.935 296 K CB -0.576 32.174 32.500 0.417 0.000 0.715 296 K HN 0.315 nan 8.250 nan 0.000 0.439 297 A N 1.103 124.102 122.820 0.298 0.000 1.902 297 A HA -0.150 4.170 4.320 0.000 0.000 0.217 297 A C 2.053 179.699 177.584 0.104 0.000 1.181 297 A CA 1.385 53.555 52.037 0.222 0.000 0.623 297 A CB -0.455 18.683 19.000 0.230 0.000 0.818 297 A HN 0.107 nan 8.150 nan 0.000 0.443 298 L N -0.675 120.570 121.223 0.037 0.000 2.109 298 L HA 0.000 4.340 4.340 0.000 0.000 0.207 298 L C 2.876 179.701 176.870 -0.075 0.000 1.086 298 L CA 1.607 56.421 54.840 -0.043 0.000 0.760 298 L CB -0.631 41.377 42.059 -0.086 0.000 0.910 298 L HN 0.368 nan 8.230 nan 0.000 0.437 299 A N -1.414 121.345 122.820 -0.102 0.000 2.067 299 A HA -0.099 4.221 4.320 0.000 0.000 0.219 299 A C 1.959 179.567 177.584 0.039 0.000 1.158 299 A CA 1.041 53.039 52.037 -0.065 0.000 0.661 299 A CB -0.435 18.570 19.000 0.007 0.000 0.801 299 A HN 0.283 nan 8.150 nan 0.000 0.452 300 L N -1.786 119.480 121.223 0.071 0.000 2.592 300 L HA 0.291 4.631 4.340 0.000 0.000 0.227 300 L C 1.668 178.579 176.870 0.068 0.000 1.127 300 L CA 1.203 56.104 54.840 0.101 0.000 0.884 300 L CB -0.078 42.074 42.059 0.156 0.000 1.065 300 L HN 0.588 nan 8.230 nan 0.000 0.457 301 G N -1.828 106.989 108.800 0.030 0.000 2.284 301 G HA2 -0.156 3.804 3.960 0.000 0.000 0.201 301 G HA3 -0.156 3.804 3.960 0.000 0.000 0.201 301 G C 0.614 175.496 174.900 -0.030 0.000 0.998 301 G CA -0.107 44.995 45.100 0.003 0.000 0.651 301 G HN 0.594 nan 8.290 nan 0.000 0.489 302 A N 0.698 123.511 122.820 -0.013 0.000 2.511 302 A HA 0.704 5.024 4.320 0.000 0.000 0.242 302 A C 1.640 179.169 177.584 -0.093 0.000 1.069 302 A CA 1.252 53.263 52.037 -0.043 0.000 0.763 302 A CB 0.655 19.678 19.000 0.039 0.000 1.001 302 A HN 1.757 nan 8.150 nan 0.000 0.498 303 A N 1.978 124.662 122.820 -0.226 0.000 2.123 303 A HA 0.506 4.826 4.320 0.000 0.000 0.214 303 A C 1.151 178.737 177.584 0.004 0.000 1.152 303 A CA 1.338 53.253 52.037 -0.204 0.000 0.728 303 A CB -0.376 18.346 19.000 -0.462 0.000 0.814 303 A HN 2.264 nan 8.150 nan 0.000 0.464 304 G N -2.181 106.695 108.800 0.127 0.000 2.349 304 G HA2 0.518 4.478 3.960 0.000 0.000 0.294 304 G HA3 0.518 4.478 3.960 0.000 0.000 0.294 304 G C -1.080 173.930 174.900 0.183 0.000 1.380 304 G CA 0.086 45.282 45.100 0.159 0.000 0.811 304 G HN 1.199 nan 8.290 nan 0.000 0.519 305 V N -2.754 117.124 119.914 -0.061 0.000 3.102 305 V HA 0.958 5.078 4.120 0.000 0.000 0.312 305 V C -1.136 174.790 176.094 -0.280 0.000 1.135 305 V CA -1.380 60.910 62.300 -0.017 0.000 1.022 305 V CB 1.864 33.694 31.823 0.011 0.000 1.056 305 V HN 0.769 nan 8.190 nan 0.000 0.436 306 F N 1.616 121.568 119.950 0.005 0.000 2.563 306 F HA 0.816 5.343 4.527 -0.000 0.000 0.316 306 F C -0.008 175.767 175.800 -0.042 0.000 1.076 306 F CA -0.790 57.183 58.000 -0.045 0.000 0.921 306 F CB 2.127 41.093 39.000 -0.058 0.000 1.209 306 F HN 0.714 nan 8.300 nan 0.000 0.462 307 I N -0.661 119.975 120.570 0.111 0.000 2.509 307 I HA 0.893 5.063 4.170 0.000 0.000 0.293 307 I C 0.040 176.155 176.117 -0.003 0.000 1.020 307 I CA -0.479 60.841 61.300 0.034 0.000 1.088 307 I CB 1.917 39.909 38.000 -0.013 0.000 1.267 307 I HN 0.659 nan 8.210 nan 0.000 0.430 308 G N 4.445 113.215 108.800 -0.049 0.000 2.495 308 G HA2 0.170 4.131 3.960 0.000 0.000 0.219 308 G HA3 0.170 4.131 3.960 0.000 0.000 0.219 308 G C 1.165 175.932 174.900 -0.220 0.000 1.875 308 G CA -0.431 44.596 45.100 -0.123 0.000 0.757 308 G HN 0.635 nan 8.290 nan 0.000 0.682 309 R N 1.195 121.529 120.500 -0.277 0.000 2.140 309 R HA -0.139 4.201 4.340 0.000 0.000 0.250 309 R C -0.160 175.812 176.300 -0.547 0.000 1.150 309 R CA 2.068 57.840 56.100 -0.546 0.000 0.966 309 R CB -1.281 28.767 30.300 -0.421 0.000 0.869 309 R HN 0.300 nan 8.270 nan 0.000 0.445 310 P HA -0.155 nan 4.420 nan 0.000 0.216 310 P C 1.351 178.579 177.300 -0.120 0.000 1.150 310 P CA 1.144 64.239 63.100 -0.008 0.000 0.843 310 P CB 0.031 31.746 31.700 0.025 0.000 0.787 311 V N -0.065 119.732 119.914 -0.196 0.000 2.261 311 V HA -0.210 3.910 4.120 0.000 0.000 0.246 311 V C 2.550 178.487 176.094 -0.263 0.000 1.047 311 V CA 2.286 64.465 62.300 -0.202 0.000 1.015 311 V CB -1.577 30.145 31.823 -0.168 0.000 0.642 311 V HN 0.035 nan 8.190 nan 0.000 0.446 312 V N -2.618 117.043 119.914 -0.422 0.000 2.407 312 V HA -0.192 3.928 4.120 0.000 0.000 0.248 312 V C 2.310 178.221 176.094 -0.304 0.000 1.055 312 V CA 1.776 63.758 62.300 -0.529 0.000 1.049 312 V CB -1.178 29.979 31.823 -1.110 0.000 0.662 312 V HN 0.329 nan 8.190 nan 0.000 0.455 313 F N 2.724 122.581 119.950 -0.154 0.000 2.113 313 F HA -0.060 4.467 4.527 0.000 0.000 0.297 313 F C 3.032 178.781 175.800 -0.084 0.000 1.103 313 F CA 1.423 59.416 58.000 -0.012 0.000 1.248 313 F CB -1.451 37.601 39.000 0.086 0.000 0.999 313 F HN 0.374 nan 8.300 nan 0.000 0.475 314 S N 0.172 115.798 115.700 -0.125 0.000 2.382 314 S HA -0.167 4.303 4.470 0.000 0.000 0.228 314 S C 2.038 176.441 174.600 -0.328 0.000 1.027 314 S CA 0.967 58.782 58.200 -0.642 0.000 0.991 314 S CB -1.041 61.636 63.200 -0.872 0.000 0.823 314 S HN 0.242 nan 8.310 nan 0.000 0.469 315 L N 2.222 123.331 121.223 -0.190 0.000 2.046 315 L HA 0.131 4.471 4.340 0.000 0.000 0.208 315 L C 2.763 179.632 176.870 -0.002 0.000 1.077 315 L CA 1.687 56.447 54.840 -0.133 0.000 0.747 315 L CB -1.368 40.636 42.059 -0.091 0.000 0.896 315 L HN 0.387 nan 8.230 nan 0.000 0.432 316 A N -1.013 121.868 122.820 0.103 0.000 1.930 316 A HA -0.054 4.266 4.320 0.000 0.000 0.217 316 A C 2.399 180.104 177.584 0.202 0.000 1.175 316 A CA 1.696 53.864 52.037 0.219 0.000 0.627 316 A CB -0.954 18.220 19.000 0.289 0.000 0.815 316 A HN 0.522 nan 8.150 nan 0.000 0.443 317 A N -0.575 122.341 122.820 0.160 0.000 1.872 317 A HA 0.001 4.321 4.320 0.000 0.000 0.214 317 A C 1.520 179.192 177.584 0.147 0.000 1.187 317 A CA 1.473 53.623 52.037 0.188 0.000 0.614 317 A CB -0.165 19.034 19.000 0.332 0.000 0.826 317 A HN 0.539 nan 8.150 nan 0.000 0.442 318 E N -1.574 118.658 120.200 0.054 0.000 2.921 318 E HA 0.382 4.732 4.350 0.000 0.000 0.203 318 E C 0.751 177.281 176.600 -0.118 0.000 0.975 318 E CA -0.011 56.403 56.400 0.023 0.000 1.225 318 E CB 0.520 30.257 29.700 0.061 0.000 1.048 318 E HN 0.658 nan 8.360 nan 0.000 0.477 319 G N 2.468 111.095 108.800 -0.289 0.000 2.594 319 G HA2 -0.473 3.487 3.960 0.000 0.000 0.297 319 G HA3 -0.473 3.487 3.960 0.000 0.000 0.297 319 G C 0.860 175.546 174.900 -0.357 0.000 1.273 319 G CA 0.599 45.265 45.100 -0.724 0.000 0.974 319 G HN 0.413 nan 8.290 nan 0.000 0.552 320 E N 0.153 120.184 120.200 -0.280 0.000 2.097 320 E HA -0.128 4.222 4.350 0.000 0.000 0.196 320 E C 2.974 179.510 176.600 -0.106 0.000 1.000 320 E CA 2.160 58.475 56.400 -0.142 0.000 0.804 320 E CB -0.497 29.158 29.700 -0.076 0.000 0.740 320 E HN 0.952 nan 8.360 nan 0.000 0.454 321 A N 0.702 123.472 122.820 -0.084 0.000 1.917 321 A HA -0.164 4.156 4.320 0.000 0.000 0.219 321 A C 2.416 179.969 177.584 -0.051 0.000 1.182 321 A CA 1.954 53.966 52.037 -0.041 0.000 0.633 321 A CB -1.318 17.676 19.000 -0.009 0.000 0.819 321 A HN 0.481 nan 8.150 nan 0.000 0.448 322 G N -0.528 108.205 108.800 -0.111 0.000 2.421 322 G HA2 -0.134 3.826 3.960 0.000 0.000 0.216 322 G HA3 -0.134 3.826 3.960 0.000 0.000 0.216 322 G C 1.502 176.242 174.900 -0.268 0.000 1.171 322 G CA 1.403 46.361 45.100 -0.236 0.000 0.775 322 G HN 0.386 nan 8.290 nan 0.000 0.543 323 V N 0.807 120.597 119.914 -0.207 0.000 2.343 323 V HA -0.152 3.968 4.120 0.000 0.000 0.247 323 V C 2.715 178.753 176.094 -0.094 0.000 1.051 323 V CA 2.051 64.256 62.300 -0.158 0.000 1.036 323 V CB -0.466 31.279 31.823 -0.130 0.000 0.654 323 V HN 0.316 nan 8.190 nan 0.000 0.451 324 K N 0.282 120.641 120.400 -0.069 0.000 2.057 324 K HA -0.218 4.102 4.320 0.000 0.000 0.207 324 K C 2.302 178.897 176.600 -0.009 0.000 1.049 324 K CA 1.532 57.797 56.287 -0.035 0.000 0.931 324 K CB -0.204 32.281 32.500 -0.024 0.000 0.714 324 K HN 0.364 nan 8.250 nan 0.000 0.440 325 K N 0.980 121.385 120.400 0.009 0.000 2.057 325 K HA -0.118 4.202 4.320 0.000 0.000 0.207 325 K C 1.995 178.649 176.600 0.091 0.000 1.049 325 K CA 0.958 57.288 56.287 0.073 0.000 0.931 325 K CB 0.060 32.655 32.500 0.159 0.000 0.714 325 K HN -0.098 nan 8.250 nan 0.000 0.440 326 V N 1.444 121.390 119.914 0.054 0.000 2.343 326 V HA -0.248 3.872 4.120 0.000 0.000 0.247 326 V C 2.203 178.314 176.094 0.028 0.000 1.051 326 V CA 1.610 63.947 62.300 0.063 0.000 1.036 326 V CB -0.303 31.513 31.823 -0.013 0.000 0.654 326 V HN 0.325 nan 8.190 nan 0.000 0.451 327 L N -0.617 120.602 121.223 -0.005 0.000 2.093 327 L HA -0.197 4.143 4.340 0.000 0.000 0.208 327 L C 2.592 179.464 176.870 0.004 0.000 1.085 327 L CA 1.431 56.262 54.840 -0.015 0.000 0.755 327 L CB -0.485 41.552 42.059 -0.037 0.000 0.904 327 L HN 0.348 nan 8.230 nan 0.000 0.435 328 Q N 0.174 119.983 119.800 0.016 0.000 2.046 328 Q HA -0.171 4.169 4.340 0.000 0.000 0.200 328 Q C 2.252 178.274 176.000 0.036 0.000 0.975 328 Q CA 1.768 57.585 55.803 0.024 0.000 0.836 328 Q CB -0.151 28.601 28.738 0.024 0.000 0.896 328 Q HN 0.343 nan 8.270 nan 0.000 0.428 329 M N -0.801 118.827 119.600 0.046 0.000 2.082 329 M HA -0.237 4.243 4.480 0.000 0.000 0.258 329 M C 2.236 178.567 176.300 0.052 0.000 1.069 329 M CA 1.763 57.093 55.300 0.050 0.000 1.102 329 M CB -0.400 32.239 32.600 0.066 0.000 1.336 329 M HN 0.328 nan 8.290 nan 0.000 0.404 330 M N -0.248 119.380 119.600 0.048 0.000 2.117 330 M HA -0.207 4.273 4.480 0.000 0.000 0.262 330 M C 2.292 178.646 176.300 0.090 0.000 1.065 330 M CA 1.839 57.168 55.300 0.049 0.000 1.114 330 M CB -0.760 31.846 32.600 0.011 0.000 1.361 330 M HN 0.324 nan 8.290 nan 0.000 0.408 331 R N 0.211 120.758 120.500 0.079 0.000 2.092 331 R HA -0.128 4.212 4.340 0.000 0.000 0.231 331 R C 1.351 177.728 176.300 0.129 0.000 1.119 331 R CA 1.790 57.969 56.100 0.131 0.000 0.970 331 R CB -0.570 29.780 30.300 0.083 0.000 0.864 331 R HN 0.227 nan 8.270 nan 0.000 0.440 332 D N 1.123 121.567 120.400 0.074 0.000 2.097 332 D HA -0.146 4.494 4.640 0.000 0.000 0.195 332 D C 1.818 178.142 176.300 0.040 0.000 0.989 332 D CA 1.564 55.589 54.000 0.042 0.000 0.827 332 D CB -0.216 40.600 40.800 0.026 0.000 0.966 332 D HN 0.477 nan 8.370 nan 0.000 0.456 333 E N -0.390 119.849 120.200 0.065 0.000 2.110 333 E HA -0.161 4.189 4.350 0.000 0.000 0.193 333 E C 1.940 178.598 176.600 0.097 0.000 0.988 333 E CA 0.414 56.851 56.400 0.061 0.000 0.804 333 E CB -0.178 29.562 29.700 0.068 0.000 0.745 333 E HN 0.211 nan 8.360 nan 0.000 0.458 334 F N 2.215 122.166 119.950 0.002 0.000 2.146 334 F HA -0.148 4.379 4.527 0.000 0.000 0.298 334 F C 2.225 178.035 175.800 0.017 0.000 1.096 334 F CA 1.657 59.673 58.000 0.027 0.000 1.275 334 F CB -0.163 38.856 39.000 0.032 0.000 1.008 334 F HN -0.069 nan 8.300 nan 0.000 0.480 335 E N 0.063 120.173 120.200 -0.151 0.000 2.031 335 E HA -0.261 4.089 4.350 0.000 0.000 0.193 335 E C 2.241 178.707 176.600 -0.223 0.000 0.994 335 E CA 1.489 57.750 56.400 -0.231 0.000 0.800 335 E CB -0.503 29.145 29.700 -0.088 0.000 0.752 335 E HN 0.387 nan 8.360 nan 0.000 0.447 336 L N 0.982 122.118 121.223 -0.145 0.000 2.127 336 L HA -0.138 4.202 4.340 0.000 0.000 0.211 336 L C 2.146 178.884 176.870 -0.220 0.000 1.089 336 L CA 2.022 56.775 54.840 -0.146 0.000 0.757 336 L CB -0.663 41.339 42.059 -0.095 0.000 0.899 336 L HN 0.134 nan 8.230 nan 0.000 0.434 337 T N -0.784 113.613 114.554 -0.261 0.000 2.812 337 T HA -0.137 4.213 4.350 0.000 0.000 0.264 337 T C 1.901 176.293 174.700 -0.514 0.000 1.042 337 T CA 1.815 63.666 62.100 -0.414 0.000 1.140 337 T CB -0.162 68.511 68.868 -0.324 0.000 0.870 337 T HN 0.306 nan 8.240 nan 0.000 0.445 338 M N 0.884 120.239 119.600 -0.408 0.000 2.117 338 M HA -0.058 4.422 4.480 0.000 0.000 0.262 338 M C 2.799 178.955 176.300 -0.240 0.000 1.065 338 M CA 1.533 56.662 55.300 -0.286 0.000 1.114 338 M CB -0.444 31.940 32.600 -0.359 0.000 1.361 338 M HN 0.320 nan 8.290 nan 0.000 0.408 339 A N 0.572 123.256 122.820 -0.227 0.000 1.865 339 A HA -0.166 4.154 4.320 0.000 0.000 0.217 339 A C 2.022 179.504 177.584 -0.171 0.000 1.191 339 A CA 1.572 53.510 52.037 -0.165 0.000 0.623 339 A CB -1.068 17.848 19.000 -0.140 0.000 0.826 339 A HN 0.483 nan 8.150 nan 0.000 0.444 340 L N -0.209 120.879 121.223 -0.225 0.000 2.275 340 L HA -0.088 4.252 4.340 0.000 0.000 0.215 340 L C 2.324 179.042 176.870 -0.253 0.000 1.119 340 L CA 1.112 55.817 54.840 -0.225 0.000 0.790 340 L CB -0.181 41.727 42.059 -0.251 0.000 0.919 340 L HN 0.309 nan 8.230 nan 0.000 0.443 341 S N -0.603 114.897 115.700 -0.333 0.000 2.501 341 S HA 0.157 4.627 4.470 0.000 0.000 0.220 341 S C 1.384 175.956 174.600 -0.047 0.000 0.997 341 S CA 0.677 58.712 58.200 -0.276 0.000 0.919 341 S CB 0.524 63.376 63.200 -0.580 0.000 0.778 341 S HN 0.596 nan 8.310 nan 0.000 0.523 342 G N 0.901 109.658 108.800 -0.071 0.000 2.164 342 G HA2 -0.221 3.739 3.960 0.000 0.000 0.212 342 G HA3 -0.221 3.739 3.960 0.000 0.000 0.212 342 G C -0.123 174.783 174.900 0.010 0.000 1.031 342 G CA -0.247 44.853 45.100 -0.000 0.000 0.730 342 G HN 0.503 nan 8.290 nan 0.000 0.501 343 C N -0.095 119.174 119.300 -0.053 0.000 2.281 343 C HA 0.612 5.072 4.460 0.000 0.000 0.323 343 C C 1.452 176.405 174.990 -0.061 0.000 1.270 343 C CA -0.870 58.113 59.018 -0.058 0.000 1.559 343 C CB 1.070 28.763 27.740 -0.079 0.000 2.239 343 C HN 0.528 nan 8.230 nan 0.000 0.488 344 R N 1.317 121.795 120.500 -0.038 0.000 2.246 344 R HA 0.110 4.450 4.340 0.000 0.000 0.199 344 R C 0.860 177.140 176.300 -0.033 0.000 0.984 344 R CA 0.401 56.478 56.100 -0.038 0.000 1.015 344 R CB 0.007 30.294 30.300 -0.021 0.000 0.930 344 R HN 0.846 nan 8.270 nan 0.000 0.475 345 S N -2.258 113.426 115.700 -0.028 0.000 2.625 345 S HA 0.293 4.763 4.470 0.000 0.000 0.271 345 S C 0.578 175.172 174.600 -0.010 0.000 1.161 345 S CA -0.933 57.261 58.200 -0.011 0.000 0.820 345 S CB 0.801 64.001 63.200 -0.000 0.000 1.137 345 S HN -0.048 nan 8.310 nan 0.000 0.470 346 L N 0.978 122.213 121.223 0.020 0.000 2.083 346 L HA -0.050 4.290 4.340 0.000 0.000 0.209 346 L C 2.707 179.571 176.870 -0.011 0.000 1.083 346 L CA 1.436 56.292 54.840 0.027 0.000 0.752 346 L CB -0.509 41.586 42.059 0.059 0.000 0.899 346 L HN 0.838 nan 8.230 nan 0.000 0.433 347 K N 0.625 121.023 120.400 -0.002 0.000 2.280 347 K HA -0.172 4.148 4.320 0.000 0.000 0.202 347 K C 1.594 178.193 176.600 -0.001 0.000 1.047 347 K CA 1.133 57.419 56.287 -0.002 0.000 0.942 347 K CB 0.130 32.633 32.500 0.006 0.000 0.739 347 K HN 0.448 nan 8.250 nan 0.000 0.457 348 E N 0.262 120.456 120.200 -0.010 0.000 2.435 348 E HA 0.017 4.367 4.350 0.000 0.000 0.195 348 E C 0.273 176.853 176.600 -0.033 0.000 1.029 348 E CA 0.056 56.458 56.400 0.004 0.000 0.865 348 E CB 0.196 29.898 29.700 0.002 0.000 0.833 348 E HN 0.299 nan 8.360 nan 0.000 0.510 349 I N 2.209 122.708 120.570 -0.119 0.000 2.556 349 I HA -0.023 4.147 4.170 0.000 0.000 0.284 349 I C 0.509 176.596 176.117 -0.049 0.000 1.114 349 I CA 0.004 61.152 61.300 -0.254 0.000 1.418 349 I CB 0.722 38.457 38.000 -0.442 0.000 1.394 349 I HN -0.032 nan 8.210 nan 0.000 0.552 350 S N 5.872 121.670 115.700 0.164 0.000 2.661 350 S HA 0.476 4.946 4.470 0.000 0.000 0.285 350 S C 0.621 175.349 174.600 0.213 0.000 1.138 350 S CA -0.984 57.341 58.200 0.209 0.000 0.855 350 S CB 2.215 65.566 63.200 0.251 0.000 1.136 350 S HN 0.511 nan 8.310 nan 0.000 0.484 351 R N 1.025 121.600 120.500 0.125 0.000 2.159 351 R HA -0.003 4.337 4.340 0.000 0.000 0.237 351 R C 1.705 178.069 176.300 0.107 0.000 1.131 351 R CA 1.601 57.763 56.100 0.104 0.000 0.982 351 R CB -1.343 28.997 30.300 0.066 0.000 0.868 351 R HN 0.769 nan 8.270 nan 0.000 0.453 352 S N -0.719 115.032 115.700 0.085 0.000 2.555 352 S HA -0.054 4.416 4.470 0.000 0.000 0.230 352 S C 1.024 175.630 174.600 0.009 0.000 0.978 352 S CA 0.519 58.726 58.200 0.013 0.000 0.934 352 S CB -0.171 62.997 63.200 -0.055 0.000 0.766 352 S HN 0.501 nan 8.310 nan 0.000 0.533 353 H N -0.544 118.622 119.070 0.159 0.000 2.539 353 H HA 0.423 4.979 4.556 0.000 0.000 0.267 353 H C -0.033 175.489 175.328 0.322 0.000 0.982 353 H CA 0.167 56.367 56.048 0.254 0.000 1.146 353 H CB 0.272 30.287 29.762 0.422 0.000 1.382 353 H HN 0.219 nan 8.280 nan 0.000 0.577 354 I N -0.348 120.410 120.570 0.314 0.000 3.002 354 I HA 0.598 4.768 4.170 0.000 0.000 0.310 354 I C -1.137 175.000 176.117 0.035 0.000 1.087 354 I CA -1.014 60.414 61.300 0.212 0.000 1.017 354 I CB 1.958 40.090 38.000 0.220 0.000 1.226 354 I HN -0.075 nan 8.210 nan 0.000 0.443 355 A N 4.233 127.011 122.820 -0.069 0.000 2.530 355 A HA 0.867 5.187 4.320 0.000 0.000 0.279 355 A C -1.044 176.366 177.584 -0.290 0.000 1.109 355 A CA -0.292 51.654 52.037 -0.152 0.000 0.763 355 A CB 0.755 19.699 19.000 -0.094 0.000 1.257 355 A HN 0.858 nan 8.150 nan 0.000 0.424 356 A N 1.579 124.098 122.820 -0.501 0.000 2.304 356 A HA 0.563 4.883 4.320 0.000 0.000 0.301 356 A C 0.501 177.719 177.584 -0.611 0.000 1.132 356 A CA -0.278 51.229 52.037 -0.883 0.000 0.819 356 A CB 0.251 18.021 19.000 -2.049 0.000 1.094 356 A HN 0.717 nan 8.150 nan 0.000 0.492 357 D N 0.492 120.664 120.400 -0.380 0.000 2.309 357 D HA -0.118 4.522 4.640 0.000 0.000 0.212 357 D C 1.098 177.432 176.300 0.056 0.000 0.968 357 D CA 1.886 55.842 54.000 -0.073 0.000 0.882 357 D CB -0.062 40.780 40.800 0.071 0.000 0.918 357 D HN 0.811 nan 8.370 nan 0.000 0.503 358 W N -0.134 121.171 121.300 0.007 0.000 3.239 358 W HA 0.392 5.052 4.660 0.000 0.000 0.368 358 W C -0.370 176.157 176.519 0.012 0.000 1.154 358 W CA -0.713 56.638 57.345 0.011 0.000 1.860 358 W CB -0.094 29.372 29.460 0.010 0.000 1.094 358 W HN -0.369 nan 8.180 nan 0.000 0.643 359 D N 0.000 120.323 120.400 -0.128 0.000 6.856 359 D HA 0.000 4.640 4.640 0.000 0.000 0.175 359 D CA 0.000 53.947 54.000 -0.089 0.000 0.868 359 D CB 0.000 40.686 40.800 -0.190 0.000 0.688 359 D HN 0.000 nan 8.370 nan 0.000 0.683